NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25866 | 2kcq | 16093 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -10.176 -5.541 4.581 2 H2 MET 1 H2 MET 1 -9.153 -4.422 5.328 3 H3 MET 1 H3 MET 1 -8.885 -6.077 5.554 4 HA MET 1 HA MET 1 -8.628 -4.570 3.022 5 HB2 MET 1 2HB MET 1 -6.776 -4.098 4.473 6 HB3 MET 1 1HB MET 1 -6.603 -5.792 4.901 7 HG2 MET 1 2HG MET 1 -5.961 -6.288 2.575 8 HG3 MET 1 1HG MET 1 -6.048 -4.563 2.211 9 HE1 MET 1 2HE MET 1 -3.490 -4.785 1.279 10 HE2 MET 1 3HE MET 1 -3.521 -6.490 1.728 11 HE3 MET 1 1HE MET 1 -2.184 -5.465 2.250 12 H LYS 2 HN LYS 2 -9.458 -5.802 1.481 13 HA LYS 2 HA LYS 2 -8.927 -8.674 1.430 14 HB2 LYS 2 2HB LYS 2 -10.547 -6.809 -0.273 15 HB3 LYS 2 1HB LYS 2 -10.025 -8.345 -0.941 16 HG2 LYS 2 2HG LYS 2 -12.138 -8.805 -0.170 17 HG3 LYS 2 1HG LYS 2 -11.117 -9.368 1.152 18 HD2 LYS 2 2HD LYS 2 -11.636 -7.507 2.486 19 HD3 LYS 2 1HD LYS 2 -12.299 -6.604 1.120 20 HE2 LYS 2 2HE LYS 2 -14.058 -8.419 0.956 21 HE3 LYS 2 1HE LYS 2 -13.471 -9.004 2.511 22 HZ1 LYS 2 3HZ LYS 2 -14.391 -6.224 2.089 23 HZ2 LYS 2 1HZ LYS 2 -14.122 -7.018 3.564 24 HZ3 LYS 2 2HZ LYS 2 -15.432 -7.464 2.572 25 H THR 3 HN THR 3 -7.411 -9.612 0.156 26 HA THR 3 HA THR 3 -6.139 -8.100 -1.953 27 HB THR 3 HB THR 3 -4.878 -7.331 -0.006 28 HG1 THR 3 1HG THR 3 -3.383 -7.387 -1.508 29 HG21 THR 3 3HG2 THR 3 -4.246 -10.245 0.449 30 HG22 THR 3 1HG2 THR 3 -5.245 -9.226 1.484 31 HG23 THR 3 2HG2 THR 3 -3.522 -8.891 1.316 32 H THR 4 HN THR 4 -4.947 -9.385 -3.374 33 HA THR 4 HA THR 4 -5.507 -12.247 -3.148 34 HB THR 4 HB THR 4 -4.742 -12.178 -5.621 35 HG1 THR 4 1HG THR 4 -4.315 -10.276 -6.428 36 HG21 THR 4 3HG2 THR 4 -6.981 -11.522 -6.361 37 HG22 THR 4 1HG2 THR 4 -7.289 -10.783 -4.789 38 HG23 THR 4 2HG2 THR 4 -7.062 -12.527 -4.914 39 HA PRO 5 HA PRO 5 -1.420 -13.550 -2.288 40 HB2 PRO 5 2HB PRO 5 -1.088 -15.427 -4.347 41 HB3 PRO 5 1HB PRO 5 -1.766 -15.736 -2.749 42 HG2 PRO 5 2HG PRO 5 -3.153 -15.241 -5.333 43 HG3 PRO 5 1HG PRO 5 -3.622 -16.295 -3.987 44 HD2 PRO 5 2HD PRO 5 -4.836 -13.950 -4.410 45 HD3 PRO 5 1HD PRO 5 -4.525 -14.547 -2.766 46 H ASP 6 HN ASP 6 -2.096 -12.868 -5.703 47 HA ASP 6 HA ASP 6 0.569 -12.549 -6.519 48 HB2 ASP 6 2HB ASP 6 -0.419 -11.332 -8.437 49 HB3 ASP 6 1HB ASP 6 -1.183 -12.881 -8.147 50 H ILE 7 HN ILE 7 -1.786 -10.291 -5.159 51 HA ILE 7 HA ILE 7 -0.177 -7.967 -5.510 52 HB ILE 7 HB ILE 7 -2.476 -8.513 -3.622 53 HG12 ILE 7 2HG1 ILE 7 -3.078 -8.558 -5.997 54 HG13 ILE 7 1HG1 ILE 7 -3.770 -7.152 -5.200 55 HG21 ILE 7 1HG2 ILE 7 -1.159 -5.875 -4.255 56 HG22 ILE 7 2HG2 ILE 7 -1.048 -6.739 -2.722 57 HG23 ILE 7 3HG2 ILE 7 -2.602 -6.100 -3.263 58 HD11 ILE 7 3HD1 ILE 7 -1.322 -7.170 -6.944 59 HD12 ILE 7 1HD1 ILE 7 -1.991 -5.756 -6.128 60 HD13 ILE 7 2HD1 ILE 7 -2.922 -6.573 -7.384 61 H LEU 8 HN LEU 8 -0.738 -10.193 -2.811 62 HA LEU 8 HA LEU 8 0.753 -8.936 -0.838 63 HB2 LEU 8 2HB LEU 8 0.295 -11.867 -1.372 64 HB3 LEU 8 1HB LEU 8 1.100 -11.275 0.069 65 HG LEU 8 HG LEU 8 -1.718 -10.549 -0.728 66 HD11 LEU 8 1HD1 LEU 8 -1.566 -12.913 -0.190 67 HD12 LEU 8 2HD1 LEU 8 -2.396 -12.039 1.095 68 HD13 LEU 8 3HD1 LEU 8 -0.718 -12.536 1.311 69 HD21 LEU 8 3HD2 LEU 8 -1.868 -9.678 1.548 70 HD22 LEU 8 1HD2 LEU 8 -0.598 -8.860 0.641 71 HD23 LEU 8 2HD2 LEU 8 -0.178 -10.094 1.829 72 H ASP 9 HN ASP 9 1.854 -11.198 -3.339 73 HA ASP 9 HA ASP 9 4.538 -11.309 -2.416 74 HB2 ASP 9 2HB ASP 9 3.471 -12.990 -3.943 75 HB3 ASP 9 1HB ASP 9 3.578 -11.803 -5.238 76 H GLN 10 HN GLN 10 2.906 -9.390 -4.894 77 HA GLN 10 HA GLN 10 5.147 -8.002 -5.811 78 HB2 GLN 10 2HB GLN 10 2.248 -7.183 -5.681 79 HB3 GLN 10 1HB GLN 10 3.481 -6.247 -6.513 80 HG2 GLN 10 2HG GLN 10 3.943 -8.146 -7.972 81 HG3 GLN 10 1HG GLN 10 2.715 -9.089 -7.134 82 HE21 GLN 10 1HE2 GLN 10 0.550 -8.627 -7.466 83 HE22 GLN 10 2HE2 GLN 10 -0.000 -7.659 -8.793 84 H ILE 11 HN ILE 11 3.191 -7.516 -2.932 85 HA ILE 11 HA ILE 11 4.167 -4.953 -2.250 86 HB ILE 11 HB ILE 11 3.223 -7.153 -0.405 87 HG12 ILE 11 2HG1 ILE 11 1.737 -4.761 -1.512 88 HG13 ILE 11 1HG1 ILE 11 1.537 -6.417 -2.071 89 HG21 ILE 11 1HG2 ILE 11 3.579 -4.199 0.121 90 HG22 ILE 11 2HG2 ILE 11 4.551 -5.508 0.797 91 HG23 ILE 11 3HG2 ILE 11 2.848 -5.362 1.228 92 HD11 ILE 11 3HD1 ILE 11 0.914 -5.401 0.695 93 HD12 ILE 11 1HD1 ILE 11 0.703 -7.060 0.132 94 HD13 ILE 11 2HD1 ILE 11 -0.256 -5.759 -0.574 95 H ARG 12 HN ARG 12 5.249 -8.214 -1.247 96 HA ARG 12 HA ARG 12 7.406 -7.270 0.320 97 HB2 ARG 12 2HB ARG 12 8.171 -9.564 0.405 98 HB3 ARG 12 1HB ARG 12 6.425 -9.520 0.593 99 HG2 ARG 12 2HG ARG 12 6.234 -10.088 -1.833 100 HG3 ARG 12 1HG ARG 12 7.982 -10.323 -1.850 101 HD2 ARG 12 2HD ARG 12 6.049 -11.803 -0.074 102 HD3 ARG 12 1HD ARG 12 6.718 -12.429 -1.578 103 HE ARG 12 HE ARG 12 8.486 -11.680 0.651 104 HH11 ARG 12 1HH1 ARG 12 7.302 -14.020 -1.660 105 HH12 ARG 12 2HH1 ARG 12 8.437 -15.255 -1.192 106 HH21 ARG 12 1HH2 ARG 12 9.999 -13.308 1.275 107 HH22 ARG 12 2HH2 ARG 12 9.969 -14.845 0.460 108 H VAL 13 HN VAL 13 7.136 -8.157 -3.081 109 HA VAL 13 HA VAL 13 9.891 -8.026 -3.696 110 HB VAL 13 HB VAL 13 7.500 -7.519 -5.479 111 HG11 VAL 13 1HG1 VAL 13 10.375 -8.030 -6.237 112 HG12 VAL 13 2HG1 VAL 13 9.525 -6.492 -6.392 113 HG13 VAL 13 3HG1 VAL 13 9.015 -7.882 -7.350 114 HG21 VAL 13 3HG2 VAL 13 7.877 -9.801 -6.252 115 HG22 VAL 13 1HG2 VAL 13 7.577 -9.770 -4.514 116 HG23 VAL 13 2HG2 VAL 13 9.221 -9.975 -5.122 117 H HIS 14 HN HIS 14 7.346 -5.565 -3.616 118 HA HIS 14 HA HIS 14 8.930 -3.456 -4.636 119 HB2 HIS 14 2HB HIS 14 6.398 -3.563 -3.046 120 HB3 HIS 14 1HB HIS 14 7.224 -2.021 -3.261 121 HD1 HIS 14 1HD HIS 14 4.549 -3.721 -4.679 122 HD2 HIS 14 2HD HIS 14 7.889 -1.869 -6.304 123 HE1 HIS 14 1HE HIS 14 3.930 -3.178 -7.051 124 HE2 HIS 14 2HE HIS 14 6.047 -2.266 -8.077 125 H GLY 15 HN GLY 15 8.618 -4.849 -1.444 126 HA2 GLY 15 2HA GLY 15 9.985 -2.830 -0.010 127 HA3 GLY 15 1HA GLY 15 9.874 -4.520 0.458 128 H ALA 16 HN ALA 16 11.110 -5.688 -1.750 129 HA ALA 16 HA ALA 16 13.875 -5.250 -1.174 130 HB1 ALA 16 1HB ALA 16 13.048 -7.467 -1.718 131 HB2 ALA 16 2HB ALA 16 14.265 -6.967 -2.892 132 HB3 ALA 16 3HB ALA 16 12.555 -6.912 -3.317 133 H ASP 17 HN ASP 17 11.636 -4.128 -3.565 134 HA ASP 17 HA ASP 17 13.550 -3.187 -5.462 135 HB2 ASP 17 2HB ASP 17 11.185 -3.676 -6.026 136 HB3 ASP 17 1HB ASP 17 10.689 -2.324 -5.028 137 H ALA 18 HN ALA 18 11.777 -1.775 -2.796 138 HA ALA 18 HA ALA 18 12.670 0.886 -3.169 139 HB1 ALA 18 1HB ALA 18 10.681 0.336 -1.853 140 HB2 ALA 18 2HB ALA 18 11.831 1.292 -0.918 141 HB3 ALA 18 3HB ALA 18 11.699 -0.444 -0.643 142 H TYR 19 HN TYR 19 13.838 -1.782 -1.166 143 HA TYR 19 HA TYR 19 15.883 -0.269 0.116 144 HB2 TYR 19 2HB TYR 19 15.231 -3.190 -0.101 145 HB3 TYR 19 1HB TYR 19 16.786 -2.697 0.561 146 HD1 TYR 19 1HD TYR 19 13.504 -0.993 1.000 147 HD2 TYR 19 2HD TYR 19 16.579 -3.313 2.807 148 HE1 TYR 19 1HE TYR 19 12.466 -0.644 3.203 149 HE2 TYR 19 2HE TYR 19 15.555 -2.966 5.012 150 HH TYR 19 HH TYR 19 12.430 -1.488 5.382 151 HA PRO 20 HA PRO 20 18.049 -0.892 0.921 152 HB2 PRO 20 2HB PRO 20 20.326 0.501 0.811 153 HB3 PRO 20 1HB PRO 20 20.287 -1.233 0.468 154 HG2 PRO 20 2HG PRO 20 20.364 1.074 -1.438 155 HG3 PRO 20 1HG PRO 20 21.265 -0.452 -1.492 156 HD2 PRO 20 2HD PRO 20 18.986 0.052 -2.942 157 HD3 PRO 20 1HD PRO 20 19.529 -1.572 -2.475 158 H GLU 21 HN GLU 21 17.144 1.336 -1.395 159 HA GLU 21 HA GLU 21 17.667 3.781 -0.076 160 HB2 GLU 21 2HB GLU 21 15.525 3.133 -2.107 161 HB3 GLU 21 1HB GLU 21 16.037 4.748 -1.636 162 HG2 GLU 21 2HG GLU 21 17.709 2.673 -3.030 163 HG3 GLU 21 1HG GLU 21 17.050 4.150 -3.733 164 H GLU 22 HN GLU 22 15.922 5.270 0.679 165 HA GLU 22 HA GLU 22 14.344 3.840 2.667 166 HB2 GLU 22 2HB GLU 22 14.063 6.174 3.637 167 HB3 GLU 22 1HB GLU 22 15.693 5.516 3.644 168 HG2 GLU 22 2HG GLU 22 16.148 6.816 1.567 169 HG3 GLU 22 1HG GLU 22 14.563 7.567 1.754 170 H GLY 23 HN GLY 23 12.490 3.169 1.705 171 HA2 GLY 23 2HA GLY 23 10.619 5.260 0.922 172 HA3 GLY 23 1HA GLY 23 11.020 4.068 -0.306 173 H CYS 24 HN CYS 24 8.533 4.763 1.277 174 HA CYS 24 HA CYS 24 7.946 2.093 2.328 175 HB2 CYS 24 2HB CYS 24 5.859 3.195 3.190 176 HB3 CYS 24 1HB CYS 24 7.348 3.856 3.853 177 HG CYS 24 HG CYS 24 5.497 5.926 3.438 178 H GLY 25 HN GLY 25 5.170 2.079 1.865 179 HA2 GLY 25 2HA GLY 25 4.910 2.416 -1.041 180 HA3 GLY 25 1HA GLY 25 4.627 0.825 -0.348 181 H PHE 26 HN PHE 26 2.799 2.601 -1.801 182 HA PHE 26 HA PHE 26 0.800 3.056 0.311 183 HB2 PHE 26 2HB PHE 26 0.970 4.223 -2.478 184 HB3 PHE 26 1HB PHE 26 -0.335 4.526 -1.337 185 HD1 PHE 26 1HD PHE 26 0.172 5.724 0.804 186 HD2 PHE 26 2HD PHE 26 2.976 5.447 -2.387 187 HE1 PHE 26 1HE PHE 26 1.424 7.619 1.745 188 HE2 PHE 26 2HE PHE 26 4.234 7.342 -1.446 189 HZ PHE 26 HZ PHE 26 3.456 8.428 0.623 190 H LEU 27 HN LEU 27 -1.287 2.273 0.035 191 HA LEU 27 HA LEU 27 -1.494 0.022 -1.845 192 HB2 LEU 27 2HB LEU 27 -3.115 0.638 0.630 193 HB3 LEU 27 1HB LEU 27 -3.285 -0.790 -0.371 194 HG LEU 27 HG LEU 27 -0.815 -0.085 1.217 195 HD11 LEU 27 1HD1 LEU 27 -3.016 -2.069 1.764 196 HD12 LEU 27 2HD1 LEU 27 -2.658 -0.619 2.698 197 HD13 LEU 27 3HD1 LEU 27 -1.506 -1.952 2.665 198 HD21 LEU 27 3HD2 LEU 27 -1.575 -2.590 -0.280 199 HD22 LEU 27 1HD2 LEU 27 -0.119 -2.362 0.691 200 HD23 LEU 27 2HD2 LEU 27 -0.354 -1.421 -0.782 201 H LEU 28 HN LEU 28 -2.567 0.478 -3.650 202 HA LEU 28 HA LEU 28 -4.771 2.432 -3.525 203 HB2 LEU 28 2HB LEU 28 -3.288 1.431 -5.962 204 HB3 LEU 28 1HB LEU 28 -4.474 2.721 -5.919 205 HG LEU 28 HG LEU 28 -1.750 2.804 -4.612 206 HD11 LEU 28 1HD1 LEU 28 -1.625 2.898 -7.045 207 HD12 LEU 28 2HD1 LEU 28 -1.224 4.458 -6.327 208 HD13 LEU 28 3HD1 LEU 28 -2.807 4.207 -7.062 209 HD21 LEU 28 3HD2 LEU 28 -2.269 5.175 -4.237 210 HD22 LEU 28 1HD2 LEU 28 -3.369 4.108 -3.367 211 HD23 LEU 28 2HD2 LEU 28 -3.901 4.903 -4.848 212 H GLY 29 HN GLY 29 -6.834 1.739 -3.973 213 HA2 GLY 29 2HA GLY 29 -7.306 -0.626 -5.514 214 HA3 GLY 29 1HA GLY 29 -7.477 -0.943 -3.798 215 H THR 30 HN THR 30 -9.634 -1.510 -4.254 216 HA THR 30 HA THR 30 -11.439 0.750 -4.826 217 HB THR 30 HB THR 30 -13.058 -1.026 -5.596 218 HG1 THR 30 1HG THR 30 -12.417 -2.974 -5.045 219 HG21 THR 30 3HG2 THR 30 -11.833 0.297 -7.226 220 HG22 THR 30 1HG2 THR 30 -11.980 -1.368 -7.790 221 HG23 THR 30 2HG2 THR 30 -10.455 -0.798 -7.111 222 H VAL 31 HN VAL 31 -13.550 0.624 -3.775 223 HA VAL 31 HA VAL 31 -13.325 -0.433 -1.066 224 HB VAL 31 HB VAL 31 -15.574 1.203 -2.238 225 HG11 VAL 31 1HG1 VAL 31 -16.178 0.016 -0.219 226 HG12 VAL 31 2HG1 VAL 31 -16.047 1.745 0.113 227 HG13 VAL 31 3HG1 VAL 31 -14.754 0.649 0.607 228 HG21 VAL 31 3HG2 VAL 31 -13.485 2.445 -2.436 229 HG22 VAL 31 1HG2 VAL 31 -13.137 2.157 -0.731 230 HG23 VAL 31 2HG2 VAL 31 -14.518 3.155 -1.194 231 H THR 32 HN THR 32 -14.050 -2.413 -0.678 232 HA THR 32 HA THR 32 -15.592 -3.861 -2.582 233 HB THR 32 HB THR 32 -15.668 -5.668 -0.875 234 HG1 THR 32 1HG THR 32 -14.488 -3.629 0.713 235 HG21 THR 32 3HG2 THR 32 -13.265 -6.114 -0.827 236 HG22 THR 32 1HG2 THR 32 -12.935 -4.435 -1.253 237 HG23 THR 32 2HG2 THR 32 -13.758 -5.491 -2.402 238 H ASP 33 HN ASP 33 -17.643 -4.990 -1.996 239 HA ASP 33 HA ASP 33 -19.620 -3.063 -1.492 240 HB2 ASP 33 2HB ASP 33 -19.843 -5.146 -2.895 241 HB3 ASP 33 1HB ASP 33 -19.995 -6.054 -1.395 242 H ASP 34 HN ASP 34 -17.837 -5.069 0.624 243 HA ASP 34 HA ASP 34 -19.691 -5.106 2.807 244 HB2 ASP 34 2HB ASP 34 -16.688 -5.468 2.890 245 HB3 ASP 34 1HB ASP 34 -17.828 -5.928 4.146 246 H GLY 35 HN GLY 35 -17.634 -2.729 1.505 247 HA2 GLY 35 2HA GLY 35 -17.499 -0.500 2.318 248 HA3 GLY 35 1HA GLY 35 -17.901 -1.089 3.928 249 H ASP 36 HN ASP 36 -15.776 -3.229 2.798 250 HA ASP 36 HA ASP 36 -13.535 -2.007 4.212 251 HB2 ASP 36 2HB ASP 36 -14.224 -4.311 4.788 252 HB3 ASP 36 1HB ASP 36 -13.917 -4.817 3.132 253 H ASN 37 HN ASN 37 -11.284 -2.521 3.133 254 HA ASN 37 HA ASN 37 -11.539 -1.526 0.383 255 HB2 ASN 37 2HB ASN 37 -9.327 -0.582 0.631 256 HB3 ASN 37 1HB ASN 37 -10.322 -0.089 1.995 257 HD21 ASN 37 1HD2 ASN 37 -9.807 -0.804 4.045 258 HD22 ASN 37 2HD2 ASN 37 -8.312 -1.597 4.410 259 H ARG 38 HN ARG 38 -10.552 -2.488 -1.336 260 HA ARG 38 HA ARG 38 -8.919 -4.882 -0.765 261 HB2 ARG 38 2HB ARG 38 -10.898 -5.508 -2.042 262 HB3 ARG 38 1HB ARG 38 -10.558 -4.257 -3.236 263 HG2 ARG 38 2HG ARG 38 -8.358 -5.434 -3.655 264 HG3 ARG 38 1HG ARG 38 -8.988 -6.762 -2.685 265 HD2 ARG 38 2HD ARG 38 -10.804 -7.091 -4.232 266 HD3 ARG 38 1HD ARG 38 -10.317 -5.667 -5.157 267 HE ARG 38 HE ARG 38 -8.129 -7.390 -5.046 268 HH11 ARG 38 1HH1 ARG 38 -11.330 -7.323 -6.463 269 HH12 ARG 38 2HH1 ARG 38 -10.908 -8.367 -7.788 270 HH21 ARG 38 1HH2 ARG 38 -7.575 -8.774 -6.781 271 HH22 ARG 38 2HH2 ARG 38 -8.787 -9.228 -7.941 272 H VAL 39 HN VAL 39 -6.833 -4.745 -1.301 273 HA VAL 39 HA VAL 39 -5.870 -2.439 -2.758 274 HB VAL 39 HB VAL 39 -4.320 -4.828 -1.733 275 HG11 VAL 39 1HG1 VAL 39 -3.373 -2.105 -2.621 276 HG12 VAL 39 2HG1 VAL 39 -3.166 -3.611 -3.517 277 HG13 VAL 39 3HG1 VAL 39 -2.360 -3.390 -1.963 278 HG21 VAL 39 3HG2 VAL 39 -3.678 -3.318 0.122 279 HG22 VAL 39 1HG2 VAL 39 -5.404 -3.682 0.100 280 HG23 VAL 39 2HG2 VAL 39 -4.823 -2.126 -0.492 281 H ALA 40 HN ALA 40 -5.637 -2.362 -4.882 282 HA ALA 40 HA ALA 40 -5.533 -4.907 -6.370 283 HB1 ALA 40 1HB ALA 40 -7.691 -3.791 -6.642 284 HB2 ALA 40 2HB ALA 40 -6.796 -3.847 -8.161 285 HB3 ALA 40 3HB ALA 40 -6.873 -2.346 -7.237 286 H ALA 41 HN ALA 41 -4.170 -1.785 -5.864 287 HA ALA 41 HA ALA 41 -2.149 -2.362 -7.916 288 HB1 ALA 41 1HB ALA 41 -3.374 0.352 -7.429 289 HB2 ALA 41 2HB ALA 41 -3.688 -0.679 -8.827 290 HB3 ALA 41 3HB ALA 41 -2.074 -0.017 -8.561 291 H LEU 42 HN LEU 42 -0.068 -1.578 -7.448 292 HA LEU 42 HA LEU 42 0.321 -0.683 -4.672 293 HB2 LEU 42 2HB LEU 42 1.907 -2.747 -6.196 294 HB3 LEU 42 1HB LEU 42 2.366 -2.099 -4.633 295 HG LEU 42 HG LEU 42 -0.185 -3.625 -5.145 296 HD11 LEU 42 1HD1 LEU 42 2.414 -4.554 -3.948 297 HD12 LEU 42 2HD1 LEU 42 1.762 -5.036 -5.513 298 HD13 LEU 42 3HD1 LEU 42 0.920 -5.486 -4.030 299 HD21 LEU 42 3HD2 LEU 42 1.197 -2.786 -2.601 300 HD22 LEU 42 1HD2 LEU 42 -0.267 -3.764 -2.707 301 HD23 LEU 42 2HD2 LEU 42 -0.284 -2.088 -3.254 302 H HIS 43 HN HIS 43 1.905 0.811 -4.328 303 HA HIS 43 HA HIS 43 3.754 1.472 -6.464 304 HB2 HIS 43 2HB HIS 43 1.619 2.801 -6.838 305 HB3 HIS 43 1HB HIS 43 1.967 3.630 -5.325 306 HD1 HIS 43 1HD HIS 43 2.836 3.568 -8.904 307 HD2 HIS 43 2HD HIS 43 4.316 5.282 -5.421 308 HE1 HIS 43 1HE HIS 43 4.448 5.343 -9.657 309 HE2 HIS 43 2HE HIS 43 5.545 6.140 -7.526 310 H ARG 44 HN ARG 44 5.688 1.794 -5.558 311 HA ARG 44 HA ARG 44 5.790 2.219 -2.682 312 HB2 ARG 44 2HB ARG 44 7.960 1.362 -2.673 313 HB3 ARG 44 1HB ARG 44 7.136 0.396 -3.880 314 HG2 ARG 44 2HG ARG 44 8.914 2.739 -4.524 315 HG3 ARG 44 1HG ARG 44 9.463 1.067 -4.468 316 HD2 ARG 44 2HD ARG 44 8.967 1.023 -6.648 317 HD3 ARG 44 1HD ARG 44 7.287 0.917 -6.126 318 HE ARG 44 HE ARG 44 7.742 3.583 -6.180 319 HH11 ARG 44 1HH1 ARG 44 8.251 1.028 -8.540 320 HH12 ARG 44 2HH1 ARG 44 8.039 2.094 -9.901 321 HH21 ARG 44 1HH2 ARG 44 7.508 4.976 -7.965 322 HH22 ARG 44 2HH2 ARG 44 7.624 4.316 -9.584 323 H ALA 45 HN ALA 45 6.730 3.944 -1.686 324 HA ALA 45 HA ALA 45 6.833 6.380 -3.206 325 HB1 ALA 45 1HB ALA 45 7.260 7.460 -1.057 326 HB2 ALA 45 2HB ALA 45 7.472 5.881 -0.300 327 HB3 ALA 45 3HB ALA 45 5.899 6.343 -0.950 328 H THR 46 HN THR 46 8.615 5.236 -4.510 329 HA THR 46 HA THR 46 11.102 6.539 -3.805 330 HB THR 46 HB THR 46 11.158 3.608 -4.544 331 HG1 THR 46 1HG THR 46 10.765 4.813 -2.099 332 HG21 THR 46 3HG2 THR 46 13.154 4.938 -5.104 333 HG22 THR 46 1HG2 THR 46 13.491 3.744 -3.850 334 HG23 THR 46 2HG2 THR 46 13.279 5.441 -3.417 335 H ASN 47 HN ASN 47 12.105 7.272 -5.641 336 HA ASN 47 HA ASN 47 10.424 7.355 -7.942 337 HB2 ASN 47 2HB ASN 47 13.131 8.533 -7.342 338 HB3 ASN 47 1HB ASN 47 12.364 8.711 -8.915 339 HD21 ASN 47 1HD2 ASN 47 10.476 8.628 -6.002 340 HD22 ASN 47 2HD2 ASN 47 10.050 10.301 -5.986 341 H ARG 48 HN ARG 48 10.304 5.826 -9.390 342 HA ARG 48 HA ARG 48 12.798 4.562 -10.326 343 HB2 ARG 48 2HB ARG 48 10.040 3.458 -9.994 344 HB3 ARG 48 1HB ARG 48 10.997 2.883 -11.350 345 HG2 ARG 48 2HG ARG 48 11.264 1.369 -9.524 346 HG3 ARG 48 1HG ARG 48 12.781 2.237 -9.760 347 HD2 ARG 48 2HD ARG 48 12.052 3.798 -7.934 348 HD3 ARG 48 1HD ARG 48 10.708 2.698 -7.628 349 HE ARG 48 HE ARG 48 12.247 1.056 -6.877 350 HH11 ARG 48 1HH1 ARG 48 13.747 4.120 -7.710 351 HH12 ARG 48 2HH1 ARG 48 15.200 3.813 -6.802 352 HH21 ARG 48 1HH2 ARG 48 14.156 0.656 -5.647 353 HH22 ARG 48 2HH2 ARG 48 15.416 1.852 -5.621 354 H ARG 49 HN ARG 49 13.310 6.122 -11.836 355 HA ARG 49 HA ARG 49 11.482 6.313 -14.121 356 HB2 ARG 49 2HB ARG 49 11.088 8.269 -12.623 357 HB3 ARG 49 1HB ARG 49 12.773 8.722 -12.820 358 HG2 ARG 49 2HG ARG 49 11.100 8.407 -15.260 359 HG3 ARG 49 1HG ARG 49 10.867 9.834 -14.253 360 HD2 ARG 49 2HD ARG 49 13.532 8.950 -15.354 361 HD3 ARG 49 1HD ARG 49 12.489 10.143 -16.128 362 HE ARG 49 HE ARG 49 12.879 11.001 -13.519 363 HH11 ARG 49 1HH1 ARG 49 14.853 10.389 -16.344 364 HH12 ARG 49 2HH1 ARG 49 16.022 11.609 -15.953 365 HH21 ARG 49 1HH2 ARG 49 14.418 12.608 -12.997 366 HH22 ARG 49 2HH2 ARG 49 15.792 12.855 -14.043 367 H SER 50 HN SER 50 12.698 5.324 -15.608 368 HA SER 50 HA SER 50 15.485 6.100 -15.989 369 HB2 SER 50 2HB SER 50 13.781 4.185 -17.611 370 HB3 SER 50 1HB SER 50 15.535 4.330 -17.642 371 HG SER 50 HG SER 50 14.733 3.920 -15.124 372 H GLU 51 HN GLU 51 15.982 6.398 -18.539 373 HA GLU 51 HA GLU 51 14.421 8.692 -19.325 374 HB2 GLU 51 2HB GLU 51 16.762 7.317 -20.640 375 HB3 GLU 51 1HB GLU 51 15.973 8.744 -21.299 376 HG2 GLU 51 2HG GLU 51 16.537 9.980 -19.258 377 HG3 GLU 51 1HG GLU 51 17.371 8.555 -18.640 378 H GLN 52 HN GLN 52 12.404 7.746 -19.618 379 HA GLN 52 HA GLN 52 12.135 5.996 -21.961 380 HB2 GLN 52 2HB GLN 52 9.844 5.540 -21.071 381 HB3 GLN 52 1HB GLN 52 11.139 5.025 -20.001 382 HG2 GLN 52 2HG GLN 52 10.819 7.086 -18.681 383 HG3 GLN 52 1HG GLN 52 9.454 7.501 -19.716 384 HE21 GLN 52 1HE2 GLN 52 7.556 6.313 -19.562 385 HE22 GLN 52 2HE2 GLN 52 7.224 5.280 -18.219 386 H ARG 53 HN ARG 53 10.881 6.584 -23.676 387 HA ARG 53 HA ARG 53 10.282 9.449 -23.780 388 HB2 ARG 53 2HB ARG 53 11.800 8.476 -25.490 389 HB3 ARG 53 1HB ARG 53 10.473 7.470 -26.055 390 HG2 ARG 53 2HG ARG 53 9.203 9.462 -26.644 391 HG3 ARG 53 1HG ARG 53 10.523 10.479 -26.064 392 HD2 ARG 53 2HD ARG 53 12.006 9.473 -27.746 393 HD3 ARG 53 1HD ARG 53 10.655 8.505 -28.340 394 HE ARG 53 HE ARG 53 10.025 11.281 -28.318 395 HH11 ARG 53 1HH1 ARG 53 11.753 8.823 -30.121 396 HH12 ARG 53 2HH1 ARG 53 11.611 9.665 -31.634 397 HH21 ARG 53 1HH2 ARG 53 9.869 12.402 -30.298 398 HH22 ARG 53 2HH2 ARG 53 10.560 11.701 -31.737 399 H THR 54 HN THR 54 8.318 9.487 -22.740 400 HA THR 54 HA THR 54 6.062 8.947 -24.411 401 HB THR 54 HB THR 54 6.402 6.733 -23.314 402 HG1 THR 54 1HG THR 54 4.300 6.637 -23.480 403 HG21 THR 54 3HG2 THR 54 5.805 8.239 -20.764 404 HG22 THR 54 1HG2 THR 54 7.356 7.519 -21.200 405 HG23 THR 54 2HG2 THR 54 5.953 6.488 -20.922 406 H ARG 55 HN ARG 55 4.004 9.638 -23.168 407 HA ARG 55 HA ARG 55 4.640 12.193 -21.969 408 HB2 ARG 55 2HB ARG 55 2.042 10.938 -22.835 409 HB3 ARG 55 1HB ARG 55 2.121 12.484 -21.998 410 HG2 ARG 55 2HG ARG 55 3.599 13.326 -23.800 411 HG3 ARG 55 1HG ARG 55 3.345 11.809 -24.661 412 HD2 ARG 55 2HD ARG 55 1.011 12.249 -24.890 413 HD3 ARG 55 1HD ARG 55 1.110 13.637 -23.807 414 HE ARG 55 HE ARG 55 2.851 14.093 -25.947 415 HH11 ARG 55 1HH1 ARG 55 -0.582 13.840 -25.316 416 HH12 ARG 55 2HH1 ARG 55 -1.041 14.854 -26.653 417 HH21 ARG 55 1HH2 ARG 55 2.257 15.458 -27.700 418 HH22 ARG 55 2HH2 ARG 55 0.572 15.760 -28.007 419 H ARG 56 HN ARG 56 3.975 12.901 -19.966 420 HA ARG 56 HA ARG 56 4.036 10.753 -17.993 421 HB2 ARG 56 2HB ARG 56 4.503 13.732 -17.827 422 HB3 ARG 56 1HB ARG 56 4.392 12.722 -16.397 423 HG2 ARG 56 2HG ARG 56 6.695 13.130 -16.940 424 HG3 ARG 56 1HG ARG 56 6.326 11.424 -17.183 425 HD2 ARG 56 2HD ARG 56 7.749 12.445 -18.969 426 HD3 ARG 56 1HD ARG 56 6.265 11.697 -19.553 427 HE ARG 56 HE ARG 56 5.587 14.312 -19.216 428 HH11 ARG 56 1HH1 ARG 56 8.199 12.703 -20.929 429 HH12 ARG 56 2HH1 ARG 56 8.231 13.871 -22.220 430 HH21 ARG 56 1HH2 ARG 56 5.628 15.834 -20.899 431 HH22 ARG 56 2HH2 ARG 56 6.754 15.655 -22.209 432 H TYR 57 HN TYR 57 2.532 10.563 -16.309 433 HA TYR 57 HA TYR 57 -0.120 11.468 -16.756 434 HB2 TYR 57 2HB TYR 57 1.044 10.524 -14.124 435 HB3 TYR 57 1HB TYR 57 -0.647 10.489 -14.614 436 HD1 TYR 57 1HD TYR 57 -1.311 8.933 -16.519 437 HD2 TYR 57 2HD TYR 57 2.465 8.718 -14.570 438 HE1 TYR 57 1HE TYR 57 -1.011 6.644 -17.366 439 HE2 TYR 57 2HE TYR 57 2.777 6.431 -15.415 440 HH TYR 57 HH TYR 57 0.919 5.098 -17.864 441 H GLU 58 HN GLU 58 2.499 12.473 -14.645 442 HA GLU 58 HA GLU 58 1.669 15.210 -14.808 443 HB2 GLU 58 2HB GLU 58 0.305 14.384 -12.898 444 HB3 GLU 58 1HB GLU 58 1.783 13.882 -12.088 445 HG2 GLU 58 2HG GLU 58 2.544 16.204 -12.048 446 HG3 GLU 58 1HG GLU 58 1.051 16.702 -12.839 447 H LEU 59 HN LEU 59 3.589 13.301 -12.506 448 HA LEU 59 HA LEU 59 6.064 13.717 -13.823 449 HB2 LEU 59 2HB LEU 59 5.671 16.006 -12.870 450 HB3 LEU 59 1HB LEU 59 5.644 15.288 -11.271 451 HG LEU 59 HG LEU 59 7.994 14.530 -11.626 452 HD11 LEU 59 1HD1 LEU 59 9.278 15.529 -13.450 453 HD12 LEU 59 2HD1 LEU 59 7.799 16.229 -14.108 454 HD13 LEU 59 3HD1 LEU 59 7.998 14.478 -14.056 455 HD21 LEU 59 3HD2 LEU 59 8.997 16.721 -11.298 456 HD22 LEU 59 1HD2 LEU 59 7.485 16.583 -10.402 457 HD23 LEU 59 2HD2 LEU 59 7.535 17.497 -11.911 458 H THR 60 HN THR 60 7.894 12.932 -12.312 459 HA THR 60 HA THR 60 6.835 10.731 -10.712 460 HB THR 60 HB THR 60 8.461 10.085 -12.407 461 HG1 THR 60 1HG THR 60 9.424 9.890 -9.732 462 HG21 THR 60 3HG2 THR 60 10.371 11.923 -10.973 463 HG22 THR 60 1HG2 THR 60 9.729 12.141 -12.598 464 HG23 THR 60 2HG2 THR 60 10.810 10.791 -12.252 465 H ALA 61 HN ALA 61 7.036 10.652 -8.571 466 HA ALA 61 HA ALA 61 8.893 12.258 -7.089 467 HB1 ALA 61 1HB ALA 61 7.238 13.607 -5.901 468 HB2 ALA 61 2HB ALA 61 5.957 12.951 -6.920 469 HB3 ALA 61 3HB ALA 61 7.215 13.964 -7.629 470 H ASP 62 HN ASP 62 5.945 10.356 -7.119 471 HA ASP 62 HA ASP 62 5.304 8.505 -5.993 472 HB2 ASP 62 2HB ASP 62 8.178 8.511 -5.060 473 HB3 ASP 62 1HB ASP 62 7.030 7.225 -4.691 474 H ASP 63 HN ASP 63 5.638 11.340 -4.739 475 HA ASP 63 HA ASP 63 5.368 10.883 -1.931 476 HB2 ASP 63 2HB ASP 63 6.100 13.051 -2.750 477 HB3 ASP 63 1HB ASP 63 4.633 13.230 -3.704 478 H TYR 64 HN TYR 64 3.256 11.515 -0.793 479 HA TYR 64 HA TYR 64 1.277 9.694 -1.439 480 HB2 TYR 64 2HB TYR 64 1.475 10.687 0.794 481 HB3 TYR 64 1HB TYR 64 0.966 12.249 0.158 482 HD1 TYR 64 1HD TYR 64 -0.136 8.837 0.983 483 HD2 TYR 64 2HD TYR 64 -1.358 12.699 -0.313 484 HE1 TYR 64 1HE TYR 64 -2.483 8.219 1.370 485 HE2 TYR 64 2HE TYR 64 -3.708 12.093 0.076 486 HH TYR 64 HH TYR 64 -5.060 9.942 0.148 487 H ARG 65 HN ARG 65 1.363 13.191 -2.215 488 HA ARG 65 HA ARG 65 -1.168 13.305 -3.330 489 HB2 ARG 65 2HB ARG 65 0.447 15.163 -2.558 490 HB3 ARG 65 1HB ARG 65 1.127 15.031 -4.178 491 HG2 ARG 65 2HG ARG 65 -1.123 15.313 -5.069 492 HG3 ARG 65 1HG ARG 65 -1.691 15.636 -3.443 493 HD2 ARG 65 2HD ARG 65 -0.361 17.620 -3.297 494 HD3 ARG 65 1HD ARG 65 0.455 17.241 -4.816 495 HE ARG 65 HE ARG 65 -1.923 17.431 -5.776 496 HH11 ARG 65 1HH1 ARG 65 -0.629 19.429 -3.194 497 HH12 ARG 65 2HH1 ARG 65 -1.738 20.740 -3.501 498 HH21 ARG 65 1HH2 ARG 65 -3.333 19.132 -6.185 499 HH22 ARG 65 2HH2 ARG 65 -3.279 20.573 -5.211 500 H ALA 66 HN ALA 66 2.018 12.730 -4.744 501 HA ALA 66 HA ALA 66 1.203 12.556 -7.430 502 HB1 ALA 66 1HB ALA 66 3.495 11.117 -6.090 503 HB2 ALA 66 2HB ALA 66 3.556 12.745 -6.765 504 HB3 ALA 66 3HB ALA 66 3.291 11.361 -7.824 505 H ALA 67 HN ALA 67 1.341 10.153 -4.854 506 HA ALA 67 HA ALA 67 0.533 7.940 -6.449 507 HB1 ALA 67 1HB ALA 67 0.279 8.372 -3.470 508 HB2 ALA 67 2HB ALA 67 1.634 7.606 -4.301 509 HB3 ALA 67 3HB ALA 67 0.047 6.838 -4.308 510 H ASP 68 HN ASP 68 -1.158 10.390 -4.596 511 HA ASP 68 HA ASP 68 -3.768 9.371 -4.745 512 HB2 ASP 68 2HB ASP 68 -3.174 11.235 -3.288 513 HB3 ASP 68 1HB ASP 68 -2.798 12.237 -4.681 514 H ALA 69 HN ALA 69 -2.006 11.567 -6.899 515 HA ALA 69 HA ALA 69 -4.065 11.876 -8.803 516 HB1 ALA 69 1HB ALA 69 -2.338 12.728 -10.281 517 HB2 ALA 69 2HB ALA 69 -1.086 12.052 -9.239 518 HB3 ALA 69 3HB ALA 69 -2.112 13.359 -8.650 519 H ALA 70 HN ALA 70 -1.304 9.633 -8.662 520 HA ALA 70 HA ALA 70 -1.839 8.278 -11.073 521 HB1 ALA 70 1HB ALA 70 -0.501 7.213 -8.583 522 HB2 ALA 70 2HB ALA 70 0.294 8.095 -9.887 523 HB3 ALA 70 3HB ALA 70 -0.405 6.506 -10.196 524 H ALA 71 HN ALA 71 -3.081 7.868 -7.816 525 HA ALA 71 HA ALA 71 -4.464 5.458 -8.192 526 HB1 ALA 71 1HB ALA 71 -5.826 6.146 -6.284 527 HB2 ALA 71 2HB ALA 71 -5.200 7.789 -6.421 528 HB3 ALA 71 3HB ALA 71 -4.116 6.467 -5.989 529 H GLN 72 HN GLN 72 -5.534 8.830 -8.593 530 HA GLN 72 HA GLN 72 -8.128 8.224 -9.498 531 HB2 GLN 72 2HB GLN 72 -6.408 10.651 -10.041 532 HB3 GLN 72 1HB GLN 72 -8.127 10.541 -10.396 533 HG2 GLN 72 2HG GLN 72 -6.926 10.260 -7.651 534 HG3 GLN 72 1HG GLN 72 -7.623 11.743 -8.301 535 HE21 GLN 72 1HE2 GLN 72 -8.378 10.054 -5.988 536 HE22 GLN 72 2HE2 GLN 72 -10.050 9.686 -6.236 537 H GLU 73 HN GLU 73 -5.071 8.624 -11.225 538 HA GLU 73 HA GLU 73 -5.976 8.461 -13.841 539 HB2 GLU 73 2HB GLU 73 -3.462 7.532 -12.514 540 HB3 GLU 73 1HB GLU 73 -3.703 7.449 -14.249 541 HG2 GLU 73 2HG GLU 73 -3.904 9.957 -12.620 542 HG3 GLU 73 1HG GLU 73 -2.483 9.437 -13.496 543 H GLN 74 HN GLN 74 -5.411 5.957 -11.473 544 HA GLN 74 HA GLN 74 -6.059 3.842 -13.362 545 HB2 GLN 74 2HB GLN 74 -5.225 3.838 -10.469 546 HB3 GLN 74 1HB GLN 74 -5.622 2.379 -11.356 547 HG2 GLN 74 2HG GLN 74 -3.785 2.645 -12.816 548 HG3 GLN 74 1HG GLN 74 -3.497 4.293 -12.265 549 HE21 GLN 74 1HE2 GLN 74 -3.818 3.695 -9.467 550 HE22 GLN 74 2HE2 GLN 74 -2.420 2.815 -8.986 551 H GLY 75 HN GLY 75 -7.801 5.939 -11.491 552 HA2 GLY 75 2HA GLY 75 -10.064 5.993 -11.018 553 HA3 GLY 75 1HA GLY 75 -10.206 4.382 -11.707 554 H LEU 76 HN LEU 76 -7.944 5.125 -9.181 555 HA LEU 76 HA LEU 76 -9.583 3.634 -7.235 556 HB2 LEU 76 2HB LEU 76 -6.572 3.527 -7.515 557 HB3 LEU 76 1HB LEU 76 -7.554 2.605 -6.400 558 HG LEU 76 HG LEU 76 -7.607 2.292 -9.400 559 HD11 LEU 76 1HD1 LEU 76 -5.492 1.547 -8.476 560 HD12 LEU 76 2HD1 LEU 76 -6.466 0.161 -8.967 561 HD13 LEU 76 3HD1 LEU 76 -6.336 0.588 -7.261 562 HD21 LEU 76 3HD2 LEU 76 -8.914 0.277 -8.918 563 HD22 LEU 76 1HD2 LEU 76 -9.732 1.735 -8.356 564 HD23 LEU 76 2HD2 LEU 76 -8.906 0.687 -7.201 565 H ASP 77 HN ASP 77 -8.279 3.967 -4.960 566 HA ASP 77 HA ASP 77 -6.969 6.550 -4.826 567 HB2 ASP 77 2HB ASP 77 -8.281 7.439 -3.070 568 HB3 ASP 77 1HB ASP 77 -9.423 6.921 -4.295 569 H VAL 78 HN VAL 78 -6.263 6.831 -2.380 570 HA VAL 78 HA VAL 78 -4.645 4.499 -1.857 571 HB VAL 78 HB VAL 78 -4.754 7.038 -0.217 572 HG11 VAL 78 1HG1 VAL 78 -3.637 5.120 0.833 573 HG12 VAL 78 2HG1 VAL 78 -2.505 6.422 0.464 574 HG13 VAL 78 3HG1 VAL 78 -2.566 4.988 -0.564 575 HG21 VAL 78 3HG2 VAL 78 -2.829 7.803 -1.559 576 HG22 VAL 78 1HG2 VAL 78 -4.310 7.662 -2.509 577 HG23 VAL 78 2HG2 VAL 78 -3.060 6.425 -2.635 578 H VAL 79 HN VAL 79 -5.589 2.856 -0.850 579 HA VAL 79 HA VAL 79 -7.650 3.386 1.157 580 HB VAL 79 HB VAL 79 -8.159 0.975 1.019 581 HG11 VAL 79 1HG1 VAL 79 -8.049 2.402 -1.639 582 HG12 VAL 79 2HG1 VAL 79 -9.341 2.506 -0.441 583 HG13 VAL 79 3HG1 VAL 79 -9.040 0.987 -1.286 584 HG21 VAL 79 3HG2 VAL 79 -6.001 0.919 -1.089 585 HG22 VAL 79 1HG2 VAL 79 -7.097 -0.407 -0.703 586 HG23 VAL 79 2HG2 VAL 79 -5.927 0.149 0.494 587 H GLY 80 HN GLY 80 -4.356 2.743 1.027 588 HA2 GLY 80 2HA GLY 80 -4.140 2.560 3.845 589 HA3 GLY 80 1HA GLY 80 -3.914 0.973 3.124 590 H VAL 81 HN VAL 81 -1.843 1.739 4.460 591 HA VAL 81 HA VAL 81 0.131 2.462 2.408 592 HB VAL 81 HB VAL 81 0.411 3.557 5.200 593 HG11 VAL 81 1HG1 VAL 81 2.426 3.415 3.857 594 HG12 VAL 81 2HG1 VAL 81 1.982 5.098 4.144 595 HG13 VAL 81 3HG1 VAL 81 1.654 4.354 2.579 596 HG21 VAL 81 3HG2 VAL 81 -1.646 4.536 4.333 597 HG22 VAL 81 1HG2 VAL 81 -0.810 5.015 2.858 598 HG23 VAL 81 2HG2 VAL 81 -0.365 5.747 4.400 599 H TYR 82 HN TYR 82 2.274 1.649 2.945 600 HA TYR 82 HA TYR 82 2.438 -0.086 5.270 601 HB2 TYR 82 2HB TYR 82 3.131 -2.051 4.086 602 HB3 TYR 82 1HB TYR 82 1.591 -1.526 3.428 603 HD1 TYR 82 1HD TYR 82 5.213 -1.762 2.765 604 HD2 TYR 82 2HD TYR 82 1.376 -0.923 1.135 605 HE1 TYR 82 1HE TYR 82 6.152 -1.901 0.501 606 HE2 TYR 82 2HE TYR 82 2.308 -1.053 -1.137 607 HH TYR 82 HH TYR 82 5.442 -2.292 -1.753 608 H HIS 83 HN HIS 83 4.521 -0.525 5.969 609 HA HIS 83 HA HIS 83 6.739 0.561 4.459 610 HB2 HIS 83 2HB HIS 83 7.595 1.843 6.464 611 HB3 HIS 83 1HB HIS 83 6.230 2.558 5.625 612 HD1 HIS 83 1HD HIS 83 4.541 3.462 7.147 613 HD2 HIS 83 2HD HIS 83 6.587 0.286 8.873 614 HE1 HIS 83 1HE HIS 83 3.606 3.242 9.467 615 HE2 HIS 83 2HE HIS 83 5.031 1.481 10.576 616 H SER 84 HN SER 84 8.685 -0.347 4.946 617 HA SER 84 HA SER 84 8.540 -2.703 6.694 618 HB2 SER 84 2HB SER 84 10.592 -2.150 4.546 619 HB3 SER 84 1HB SER 84 10.199 -3.698 5.293 620 HG SER 84 HG SER 84 8.594 -3.928 3.953 621 H HIS 85 HN HIS 85 10.034 -2.990 8.315 622 HA HIS 85 HA HIS 85 12.379 -1.266 8.333 623 HB2 HIS 85 2HB HIS 85 12.077 -0.719 10.764 624 HB3 HIS 85 1HB HIS 85 10.951 0.078 9.681 625 HD1 HIS 85 1HD HIS 85 9.338 0.492 11.645 626 HD2 HIS 85 2HD HIS 85 10.061 -3.534 10.885 627 HE1 HIS 85 1HE HIS 85 7.595 -0.771 12.947 628 HE2 HIS 85 2HE HIS 85 8.220 -3.193 12.667 629 HA PRO 86 HA PRO 86 14.176 -5.021 9.822 630 HB2 PRO 86 2HB PRO 86 16.636 -3.677 10.411 631 HB3 PRO 86 1HB PRO 86 16.238 -4.626 8.979 632 HG2 PRO 86 2HG PRO 86 16.687 -1.902 8.984 633 HG3 PRO 86 1HG PRO 86 15.782 -2.775 7.737 634 HD2 PRO 86 2HD PRO 86 14.763 -1.186 10.059 635 HD3 PRO 86 1HD PRO 86 14.131 -1.300 8.401 636 H ASP 87 HN ASP 87 12.587 -4.344 11.718 637 HA ASP 87 HA ASP 87 13.974 -4.916 14.125 638 HB2 ASP 87 2HB ASP 87 14.382 -2.459 14.034 639 HB3 ASP 87 1HB ASP 87 12.640 -2.200 13.979 640 H HIS 88 HN HIS 88 12.666 -6.168 15.236 641 HA HIS 88 HA HIS 88 10.865 -7.439 15.748 642 HB2 HIS 88 2HB HIS 88 9.318 -4.946 14.993 643 HB3 HIS 88 1HB HIS 88 8.573 -6.399 15.649 644 HD1 HIS 88 1HD HIS 88 10.076 -3.258 16.644 645 HD2 HIS 88 2HD HIS 88 9.588 -7.022 18.343 646 HE1 HIS 88 1HE HIS 88 10.410 -2.938 19.115 647 HE2 HIS 88 2HE HIS 88 9.878 -5.182 20.134 648 HA PRO 89 HA PRO 89 10.063 -9.512 11.980 649 HB2 PRO 89 2HB PRO 89 7.646 -10.595 13.325 650 HB3 PRO 89 1HB PRO 89 9.002 -11.448 12.579 651 HG2 PRO 89 2HG PRO 89 8.763 -11.322 15.226 652 HG3 PRO 89 1HG PRO 89 10.352 -11.208 14.446 653 HD2 PRO 89 2HD PRO 89 8.649 -9.039 15.609 654 HD3 PRO 89 1HD PRO 89 10.411 -9.247 15.676 655 H ALA 90 HN ALA 90 6.969 -8.466 13.496 656 HA ALA 90 HA ALA 90 6.292 -6.908 11.206 657 HB1 ALA 90 1HB ALA 90 4.459 -8.235 10.343 658 HB2 ALA 90 2HB ALA 90 4.789 -9.497 11.530 659 HB3 ALA 90 3HB ALA 90 5.967 -9.147 10.267 660 H ARG 91 HN ARG 91 6.060 -5.495 13.034 661 HA ARG 91 HA ARG 91 3.305 -5.050 13.419 662 HB2 ARG 91 2HB ARG 91 3.199 -5.058 15.829 663 HB3 ARG 91 1HB ARG 91 3.649 -6.652 15.262 664 HG2 ARG 91 2HG ARG 91 5.064 -6.435 17.024 665 HG3 ARG 91 1HG ARG 91 6.081 -5.761 15.750 666 HD2 ARG 91 2HD ARG 91 5.677 -3.557 16.441 667 HD3 ARG 91 1HD ARG 91 4.279 -4.025 17.406 668 HE ARG 91 HE ARG 91 6.497 -5.323 18.481 669 HH11 ARG 91 1HH1 ARG 91 5.360 -2.028 18.034 670 HH12 ARG 91 2HH1 ARG 91 6.116 -1.441 19.489 671 HH21 ARG 91 1HH2 ARG 91 7.496 -4.551 20.367 672 HH22 ARG 91 2HH2 ARG 91 7.381 -2.866 20.790 673 HA PRO 92 HA PRO 92 4.836 -0.939 13.218 674 HB2 PRO 92 2HB PRO 92 2.662 -0.094 15.027 675 HB3 PRO 92 1HB PRO 92 2.984 0.381 13.357 676 HG2 PRO 92 2HG PRO 92 0.941 -1.235 13.970 677 HG3 PRO 92 1HG PRO 92 1.880 -1.450 12.480 678 HD2 PRO 92 2HD PRO 92 2.030 -2.976 15.053 679 HD3 PRO 92 1HD PRO 92 2.103 -3.574 13.383 680 H SER 93 HN SER 93 5.991 0.616 14.346 681 HA SER 93 HA SER 93 6.725 -0.170 17.077 682 HB2 SER 93 2HB SER 93 8.451 0.157 15.187 683 HB3 SER 93 1HB SER 93 8.131 1.881 15.361 684 HG SER 93 HG SER 93 9.697 1.661 16.790 685 H ALA 94 HN ALA 94 7.638 2.275 18.046 686 HA ALA 94 HA ALA 94 5.125 3.368 18.849 687 HB1 ALA 94 1HB ALA 94 7.911 4.348 19.455 688 HB2 ALA 94 2HB ALA 94 7.004 3.174 20.408 689 HB3 ALA 94 3HB ALA 94 6.436 4.840 20.285 690 H THR 95 HN THR 95 7.862 4.666 16.973 691 HA THR 95 HA THR 95 6.733 7.252 16.698 692 HB THR 95 HB THR 95 8.768 5.990 14.848 693 HG1 THR 95 1HG THR 95 9.005 7.050 17.471 694 HG21 THR 95 3HG2 THR 95 9.564 8.301 14.605 695 HG22 THR 95 1HG2 THR 95 8.272 8.855 15.668 696 HG23 THR 95 2HG2 THR 95 7.880 8.144 14.102 697 H ASP 96 HN ASP 96 6.835 4.476 14.416 698 HA ASP 96 HA ASP 96 5.480 5.934 12.391 699 HB2 ASP 96 2HB ASP 96 5.230 3.792 11.212 700 HB3 ASP 96 1HB ASP 96 6.878 4.057 11.758 701 H LEU 97 HN LEU 97 4.382 3.924 15.052 702 HA LEU 97 HA LEU 97 1.646 3.833 14.337 703 HB2 LEU 97 2HB LEU 97 2.768 2.538 16.185 704 HB3 LEU 97 1HB LEU 97 2.814 4.013 17.123 705 HG LEU 97 HG LEU 97 0.216 2.844 16.152 706 HD11 LEU 97 1HD1 LEU 97 0.014 1.725 18.312 707 HD12 LEU 97 2HD1 LEU 97 1.647 2.240 18.739 708 HD13 LEU 97 3HD1 LEU 97 1.398 1.110 17.407 709 HD21 LEU 97 3HD2 LEU 97 -0.684 4.050 18.095 710 HD22 LEU 97 1HD2 LEU 97 0.124 5.138 16.965 711 HD23 LEU 97 2HD2 LEU 97 0.931 4.658 18.458 712 H GLU 98 HN GLU 98 3.602 6.161 16.096 713 HA GLU 98 HA GLU 98 1.513 7.947 16.759 714 HB2 GLU 98 2HB GLU 98 4.505 8.142 16.667 715 HB3 GLU 98 1HB GLU 98 3.530 9.535 17.091 716 HG2 GLU 98 2HG GLU 98 2.517 8.211 18.922 717 HG3 GLU 98 1HG GLU 98 3.606 6.886 18.515 718 H GLU 99 HN GLU 99 3.601 7.634 13.968 719 HA GLU 99 HA GLU 99 2.861 10.201 12.876 720 HB2 GLU 99 2HB GLU 99 4.376 7.914 11.608 721 HB3 GLU 99 1HB GLU 99 4.214 9.530 10.936 722 HG2 GLU 99 2HG GLU 99 5.605 8.802 13.505 723 HG3 GLU 99 1HG GLU 99 6.380 9.227 11.981 724 H ALA 100 HN ALA 100 1.179 7.424 13.169 725 HA ALA 100 HA ALA 100 0.082 7.198 10.528 726 HB1 ALA 100 1HB ALA 100 -0.906 6.072 13.148 727 HB2 ALA 100 2HB ALA 100 0.163 5.262 12.003 728 HB3 ALA 100 3HB ALA 100 -1.501 5.627 11.548 729 H THR 101 HN THR 101 -0.773 9.129 9.902 730 HA THR 101 HA THR 101 -2.518 10.653 11.614 731 HB THR 101 HB THR 101 -1.955 11.098 8.690 732 HG1 THR 101 1HG THR 101 -0.373 11.510 10.964 733 HG21 THR 101 3HG2 THR 101 -3.780 12.440 9.591 734 HG22 THR 101 1HG2 THR 101 -2.378 13.451 9.240 735 HG23 THR 101 2HG2 THR 101 -2.739 12.992 10.905 736 H PHE 102 HN PHE 102 -2.931 8.118 9.362 737 HA PHE 102 HA PHE 102 -5.709 8.916 8.810 738 HB2 PHE 102 2HB PHE 102 -3.933 7.040 7.243 739 HB3 PHE 102 1HB PHE 102 -5.590 7.466 6.830 740 HD1 PHE 102 1HD PHE 102 -6.085 9.942 6.387 741 HD2 PHE 102 2HD PHE 102 -2.160 8.297 6.436 742 HE1 PHE 102 1HE PHE 102 -5.270 11.859 5.078 743 HE2 PHE 102 2HE PHE 102 -1.337 10.213 5.130 744 HZ PHE 102 HZ PHE 102 -2.895 11.998 4.450 745 HA PRO 103 HA PRO 103 -6.241 5.276 11.581 746 HB2 PRO 103 2HB PRO 103 -8.768 6.601 12.249 747 HB3 PRO 103 1HB PRO 103 -7.442 6.125 13.314 748 HG2 PRO 103 2HG PRO 103 -7.974 8.702 12.770 749 HG3 PRO 103 1HG PRO 103 -6.319 8.117 13.023 750 HD2 PRO 103 2HD PRO 103 -7.750 8.690 10.447 751 HD3 PRO 103 1HD PRO 103 -6.091 9.110 10.926 752 H GLY 104 HN GLY 104 -7.739 6.398 8.826 753 HA2 GLY 104 2HA GLY 104 -9.739 4.239 8.840 754 HA3 GLY 104 1HA GLY 104 -9.759 5.631 7.766 755 H PHE 105 HN PHE 105 -6.644 4.495 8.062 756 HA PHE 105 HA PHE 105 -6.876 3.107 5.482 757 HB2 PHE 105 2HB PHE 105 -4.610 4.614 6.781 758 HB3 PHE 105 1HB PHE 105 -4.338 3.529 5.425 759 HD1 PHE 105 2HD PHE 105 -7.278 5.745 5.835 760 HD2 PHE 105 1HD PHE 105 -3.576 5.080 3.849 761 HE1 PHE 105 2HE PHE 105 -7.792 7.573 4.274 762 HE2 PHE 105 1HE PHE 105 -4.084 6.906 2.283 763 HZ PHE 105 HZ PHE 105 -6.195 8.158 2.495 764 H THR 106 HN THR 106 -5.705 1.171 5.136 765 HA THR 106 HA THR 106 -5.218 -0.363 7.567 766 HB THR 106 HB THR 106 -5.166 -1.299 4.685 767 HG1 THR 106 1HG THR 106 -7.217 -0.979 6.567 768 HG21 THR 106 3HG2 THR 106 -5.297 -2.842 7.279 769 HG22 THR 106 1HG2 THR 106 -3.895 -2.740 6.207 770 HG23 THR 106 2HG2 THR 106 -5.370 -3.540 5.661 771 H TYR 107 HN TYR 107 -3.239 -0.638 8.355 772 HA TYR 107 HA TYR 107 -0.979 0.235 6.704 773 HB2 TYR 107 2HB TYR 107 -1.260 -0.053 9.697 774 HB3 TYR 107 1HB TYR 107 0.249 0.353 8.888 775 HD1 TYR 107 2HD TYR 107 -3.230 1.525 9.444 776 HD2 TYR 107 1HD TYR 107 0.728 2.581 8.292 777 HE1 TYR 107 2HE TYR 107 -3.850 3.901 9.510 778 HE2 TYR 107 1HE TYR 107 0.117 4.962 8.362 779 HH TYR 107 HH TYR 107 -2.933 6.031 9.649 780 H VAL 108 HN VAL 108 0.162 -1.289 5.781 781 HA VAL 108 HA VAL 108 0.189 -3.971 6.939 782 HB VAL 108 HB VAL 108 1.222 -3.021 4.263 783 HG11 VAL 108 1HG1 VAL 108 2.421 -4.992 5.053 784 HG12 VAL 108 2HG1 VAL 108 1.378 -5.390 3.688 785 HG13 VAL 108 3HG1 VAL 108 0.890 -5.823 5.327 786 HG21 VAL 108 3HG2 VAL 108 -1.293 -4.523 4.972 787 HG22 VAL 108 1HG2 VAL 108 -0.728 -4.180 3.336 788 HG23 VAL 108 2HG2 VAL 108 -1.194 -2.855 4.404 789 H ILE 109 HN ILE 109 1.838 -4.693 8.054 790 HA ILE 109 HA ILE 109 4.411 -3.268 7.867 791 HB ILE 109 HB ILE 109 3.423 -5.023 10.130 792 HG12 ILE 109 2HG1 ILE 109 2.146 -2.929 10.000 793 HG13 ILE 109 1HG1 ILE 109 3.190 -2.945 11.417 794 HG21 ILE 109 1HG2 ILE 109 5.871 -3.274 9.898 795 HG22 ILE 109 2HG2 ILE 109 5.843 -5.037 9.904 796 HG23 ILE 109 3HG2 ILE 109 5.367 -4.143 11.348 797 HD11 ILE 109 3HD1 ILE 109 3.184 -0.772 10.338 798 HD12 ILE 109 1HD1 ILE 109 3.739 -1.504 8.832 799 HD13 ILE 109 2HD1 ILE 109 4.783 -1.510 10.255 800 H VAL 110 HN VAL 110 6.065 -4.358 6.998 801 HA VAL 110 HA VAL 110 5.782 -7.264 6.730 802 HB VAL 110 HB VAL 110 5.075 -6.472 4.607 803 HG11 VAL 110 1HG1 VAL 110 7.502 -4.688 4.565 804 HG12 VAL 110 2HG1 VAL 110 5.828 -4.173 4.774 805 HG13 VAL 110 3HG1 VAL 110 6.346 -4.889 3.248 806 HG21 VAL 110 3HG2 VAL 110 6.823 -7.263 3.077 807 HG22 VAL 110 1HG2 VAL 110 6.621 -8.333 4.466 808 HG23 VAL 110 2HG2 VAL 110 7.989 -7.219 4.401 809 H SER 111 HN SER 111 7.570 -8.418 6.937 810 HA SER 111 HA SER 111 9.830 -7.103 8.135 811 HB2 SER 111 2HB SER 111 8.925 -9.237 9.008 812 HB3 SER 111 1HB SER 111 9.356 -10.023 7.492 813 HG SER 111 HG SER 111 10.897 -10.262 9.263 814 H VAL 112 HN VAL 112 11.110 -6.083 6.741 815 HA VAL 112 HA VAL 112 12.322 -7.740 4.636 816 HB VAL 112 HB VAL 112 11.884 -4.742 4.513 817 HG11 VAL 112 1HG1 VAL 112 13.124 -6.609 2.495 818 HG12 VAL 112 2HG1 VAL 112 13.975 -5.405 3.462 819 HG13 VAL 112 3HG1 VAL 112 12.801 -4.893 2.252 820 HG21 VAL 112 3HG2 VAL 112 10.628 -6.935 2.869 821 HG22 VAL 112 1HG2 VAL 112 10.385 -5.202 2.654 822 HG23 VAL 112 2HG2 VAL 112 9.823 -5.994 4.126 823 H ARG 113 HN ARG 113 14.313 -8.219 5.222 824 HA ARG 113 HA ARG 113 15.683 -6.366 7.045 825 HB2 ARG 113 2HB ARG 113 15.212 -8.692 7.864 826 HB3 ARG 113 1HB ARG 113 16.285 -9.294 6.608 827 HG2 ARG 113 2HG ARG 113 18.158 -8.152 7.590 828 HG3 ARG 113 1HG ARG 113 17.108 -7.383 8.783 829 HD2 ARG 113 2HD ARG 113 18.324 -9.295 9.720 830 HD3 ARG 113 1HD ARG 113 16.578 -9.545 9.748 831 HE ARG 113 HE ARG 113 16.809 -11.136 8.009 832 HH11 ARG 113 1HH1 ARG 113 19.870 -9.896 9.171 833 HH12 ARG 113 2HH1 ARG 113 20.799 -11.209 8.510 834 HH21 ARG 113 1HH2 ARG 113 18.031 -12.881 7.148 835 HH22 ARG 113 2HH2 ARG 113 19.750 -12.912 7.398 836 H ASP 114 HN ASP 114 16.557 -5.010 5.592 837 HA ASP 114 HA ASP 114 18.154 -4.165 4.228 838 HB2 ASP 114 2HB ASP 114 19.600 -5.403 5.860 839 HB3 ASP 114 1HB ASP 114 19.625 -6.755 4.734 840 H GLY 115 HN GLY 115 15.990 -5.804 3.117 841 HA2 GLY 115 2HA GLY 115 15.764 -5.650 0.656 842 HA3 GLY 115 1HA GLY 115 17.305 -6.489 0.562 843 H ALA 116 HN ALA 116 16.282 -8.163 2.944 844 HA ALA 116 HA ALA 116 15.061 -10.195 1.245 845 HB1 ALA 116 1HB ALA 116 16.984 -10.772 2.680 846 HB2 ALA 116 2HB ALA 116 15.553 -11.746 3.028 847 HB3 ALA 116 3HB ALA 116 16.000 -10.419 4.101 848 HA PRO 117 HA PRO 117 11.115 -9.099 3.134 849 HB2 PRO 117 2HB PRO 117 9.812 -10.432 0.970 850 HB3 PRO 117 1HB PRO 117 9.996 -8.695 1.215 851 HG2 PRO 117 2HG PRO 117 11.181 -10.140 -0.821 852 HG3 PRO 117 1HG PRO 117 11.742 -8.564 -0.238 853 HD2 PRO 117 2HD PRO 117 12.776 -11.303 0.400 854 HD3 PRO 117 1HD PRO 117 13.671 -9.786 0.145 855 H GLU 118 HN GLU 118 10.522 -10.326 4.796 856 HA GLU 118 HA GLU 118 10.655 -13.236 4.574 857 HB2 GLU 118 2HB GLU 118 11.848 -12.132 6.405 858 HB3 GLU 118 1HB GLU 118 10.343 -11.440 6.981 859 HG2 GLU 118 2HG GLU 118 9.500 -13.629 7.534 860 HG3 GLU 118 1HG GLU 118 10.936 -14.384 6.840 861 H ALA 119 HN ALA 119 8.441 -11.107 6.409 862 HA ALA 119 HA ALA 119 6.176 -12.635 5.347 863 HB1 ALA 119 1HB ALA 119 5.259 -12.994 7.558 864 HB2 ALA 119 2HB ALA 119 6.631 -12.164 8.290 865 HB3 ALA 119 3HB ALA 119 6.872 -13.703 7.461 866 H LEU 120 HN LEU 120 4.129 -11.621 5.637 867 HA LEU 120 HA LEU 120 4.305 -8.702 6.040 868 HB2 LEU 120 2HB LEU 120 2.511 -10.217 4.135 869 HB3 LEU 120 1HB LEU 120 2.470 -8.488 4.399 870 HG LEU 120 HG LEU 120 4.927 -8.516 3.592 871 HD11 LEU 120 1HD1 LEU 120 3.983 -11.156 2.484 872 HD12 LEU 120 2HD1 LEU 120 5.279 -10.914 3.656 873 HD13 LEU 120 3HD1 LEU 120 5.455 -10.306 2.010 874 HD21 LEU 120 3HD2 LEU 120 4.201 -8.322 1.271 875 HD22 LEU 120 1HD2 LEU 120 3.078 -7.513 2.364 876 HD23 LEU 120 2HD2 LEU 120 2.665 -9.087 1.682 877 H THR 121 HN THR 121 2.673 -7.704 7.209 878 HA THR 121 HA THR 121 0.412 -9.349 8.111 879 HB THR 121 HB THR 121 0.627 -8.288 10.392 880 HG1 THR 121 1HG THR 121 2.994 -7.372 9.182 881 HG21 THR 121 3HG2 THR 121 2.365 -9.854 11.176 882 HG22 THR 121 1HG2 THR 121 2.844 -10.132 9.501 883 HG23 THR 121 2HG2 THR 121 1.239 -10.612 10.051 884 H ALA 122 HN ALA 122 -1.506 -8.193 8.390 885 HA ALA 122 HA ALA 122 -1.376 -5.359 7.615 886 HB1 ALA 122 1HB ALA 122 -2.621 -6.762 6.038 887 HB2 ALA 122 2HB ALA 122 -3.681 -5.599 6.833 888 HB3 ALA 122 3HB ALA 122 -3.687 -7.288 7.340 889 H TRP 123 HN TRP 123 -2.224 -3.835 8.899 890 HA TRP 123 HA TRP 123 -3.491 -4.716 11.402 891 HB2 TRP 123 2HB TRP 123 -1.357 -2.595 11.102 892 HB3 TRP 123 1HB TRP 123 -2.168 -3.028 12.603 893 HD1 TRP 123 1HD TRP 123 0.395 -4.394 10.084 894 HE1 TRP 123 1HE TRP 123 1.764 -6.247 11.247 895 HE3 TRP 123 3HE TRP 123 -2.233 -4.708 14.451 896 HZ2 TRP 123 2HZ TRP 123 1.723 -7.646 13.699 897 HZ3 TRP 123 3HZ TRP 123 -1.520 -6.336 16.147 898 HH2 TRP 123 2HH TRP 123 0.423 -7.774 15.780 899 H ALA 124 HN ALA 124 -5.066 -3.425 12.206 900 HA ALA 124 HA ALA 124 -5.846 -1.112 10.562 901 HB1 ALA 124 1HB ALA 124 -7.512 -2.921 10.678 902 HB2 ALA 124 2HB ALA 124 -8.104 -1.430 11.407 903 HB3 ALA 124 3HB ALA 124 -7.556 -2.754 12.434 904 H LEU 125 HN LEU 125 -5.764 0.856 11.457 905 HA LEU 125 HA LEU 125 -4.811 1.127 14.167 906 HB2 LEU 125 2HB LEU 125 -3.937 2.568 12.371 907 HB3 LEU 125 1HB LEU 125 -5.542 3.218 12.106 908 HG LEU 125 HG LEU 125 -5.513 4.223 14.348 909 HD11 LEU 125 1HD1 LEU 125 -3.465 4.250 15.664 910 HD12 LEU 125 2HD1 LEU 125 -2.685 3.186 14.495 911 HD13 LEU 125 3HD1 LEU 125 -4.048 2.600 15.448 912 HD21 LEU 125 3HD2 LEU 125 -3.093 4.904 12.682 913 HD22 LEU 125 1HD2 LEU 125 -3.826 5.934 13.911 914 HD23 LEU 125 2HD2 LEU 125 -4.724 5.531 12.451 915 H ALA 126 HN ALA 126 -5.966 1.714 15.905 916 HA ALA 126 HA ALA 126 -8.765 1.498 15.921 917 HB1 ALA 126 1HB ALA 126 -8.634 2.251 18.229 918 HB2 ALA 126 2HB ALA 126 -6.973 2.792 17.975 919 HB3 ALA 126 3HB ALA 126 -7.367 1.074 17.885 920 HA PRO 127 HA PRO 127 -10.130 5.442 14.458 921 HB2 PRO 127 2HB PRO 127 -12.302 5.173 16.464 922 HB3 PRO 127 1HB PRO 127 -12.406 5.408 14.716 923 HG2 PRO 127 2HG PRO 127 -12.953 3.037 15.786 924 HG3 PRO 127 1HG PRO 127 -12.055 3.157 14.260 925 HD2 PRO 127 2HD PRO 127 -11.029 2.614 17.024 926 HD3 PRO 127 1HD PRO 127 -10.563 1.863 15.481 927 H ASP 128 HN ASP 128 -9.800 4.848 17.898 928 HA ASP 128 HA ASP 128 -9.735 7.682 18.526 929 HB2 ASP 128 2HB ASP 128 -9.364 6.969 20.832 930 HB3 ASP 128 1HB ASP 128 -10.712 6.080 20.134 931 H ARG 129 HN ARG 129 -7.634 5.397 17.329 932 HA ARG 129 HA ARG 129 -5.413 5.233 16.987 933 HB2 ARG 129 2HB ARG 129 -5.847 7.380 15.870 934 HB3 ARG 129 1HB ARG 129 -5.491 8.230 17.368 935 HG2 ARG 129 2HG ARG 129 -3.195 7.318 17.288 936 HG3 ARG 129 1HG ARG 129 -3.578 6.571 15.736 937 HD2 ARG 129 2HD ARG 129 -2.391 8.686 15.440 938 HD3 ARG 129 1HD ARG 129 -4.021 8.761 14.772 939 HE ARG 129 HE ARG 129 -4.612 9.923 16.944 940 HH11 ARG 129 1HH1 ARG 129 -1.387 10.046 15.574 941 HH12 ARG 129 2HH1 ARG 129 -1.010 11.604 16.246 942 HH21 ARG 129 1HH2 ARG 129 -4.119 11.966 17.860 943 HH22 ARG 129 2HH2 ARG 129 -2.560 12.689 17.563 944 H SER 130 HN SER 130 -5.478 4.139 19.143 945 HA SER 130 HA SER 130 -3.491 5.462 20.861 946 HB2 SER 130 2HB SER 130 -5.514 3.335 21.606 947 HB3 SER 130 1HB SER 130 -4.255 3.950 22.680 948 HG SER 130 HG SER 130 -6.647 5.108 21.879 949 H GLU 131 HN GLU 131 -4.396 2.599 19.104 950 HA GLU 131 HA GLU 131 -1.689 1.733 18.897 951 HB2 GLU 131 2HB GLU 131 -2.038 -0.497 19.903 952 HB3 GLU 131 1HB GLU 131 -2.170 0.791 21.093 953 HG2 GLU 131 2HG GLU 131 -4.586 0.643 21.024 954 HG3 GLU 131 1HG GLU 131 -4.496 -0.590 19.769 955 H PHE 132 HN PHE 132 -1.837 -0.643 17.870 956 HA PHE 132 HA PHE 132 -3.832 -0.442 15.720 957 HB2 PHE 132 2HB PHE 132 -1.059 -1.605 15.816 958 HB3 PHE 132 1HB PHE 132 -2.211 -2.133 14.594 959 HD1 PHE 132 1HD PHE 132 -0.288 0.736 15.865 960 HD2 PHE 132 2HD PHE 132 -2.745 -0.770 12.738 961 HE1 PHE 132 1HE PHE 132 0.332 2.653 14.456 962 HE2 PHE 132 2HE PHE 132 -2.131 1.144 11.323 963 HZ PHE 132 HZ PHE 132 -0.587 2.861 12.180 964 H HIS 133 HN HIS 133 -4.871 -2.338 15.011 965 HA HIS 133 HA HIS 133 -4.732 -4.594 16.895 966 HB2 HIS 133 2HB HIS 133 -7.174 -3.349 15.624 967 HB3 HIS 133 1HB HIS 133 -7.188 -4.973 16.302 968 HD1 HIS 133 1HD HIS 133 -7.438 -5.189 18.802 969 HD2 HIS 133 2HD HIS 133 -6.779 -1.267 17.583 970 HE1 HIS 133 1HE HIS 133 -7.769 -3.775 20.852 971 HE2 HIS 133 2HE HIS 133 -7.189 -1.434 20.137 972 H ARG 134 HN ARG 134 -5.006 -6.649 15.985 973 HA ARG 134 HA ARG 134 -3.820 -6.725 13.352 974 HB2 ARG 134 2HB ARG 134 -2.925 -8.132 15.134 975 HB3 ARG 134 1HB ARG 134 -4.479 -8.931 15.303 976 HG2 ARG 134 2HG ARG 134 -3.053 -10.371 14.069 977 HG3 ARG 134 1HG ARG 134 -4.250 -9.728 12.962 978 HD2 ARG 134 2HD ARG 134 -2.724 -8.553 11.774 979 HD3 ARG 134 1HD ARG 134 -1.710 -8.234 13.183 980 HE ARG 134 HE ARG 134 -0.606 -10.246 12.838 981 HH11 ARG 134 1HH1 ARG 134 -3.228 -9.910 10.513 982 HH12 ARG 134 2HH1 ARG 134 -2.705 -11.276 9.568 983 HH21 ARG 134 1HH2 ARG 134 0.069 -12.004 11.577 984 HH22 ARG 134 2HH2 ARG 134 -0.844 -12.459 10.167 985 H GLU 135 HN GLU 135 -4.753 -7.304 11.545 986 HA GLU 135 HA GLU 135 -7.469 -8.430 11.643 987 HB2 GLU 135 2HB GLU 135 -7.414 -6.119 10.686 988 HB3 GLU 135 1HB GLU 135 -6.321 -6.693 9.435 989 HG2 GLU 135 2HG GLU 135 -8.040 -8.208 8.616 990 HG3 GLU 135 1HG GLU 135 -9.131 -7.681 9.892 991 H ASP 136 HN ASP 136 -7.912 -10.033 10.063 992 HA ASP 136 HA ASP 136 -5.535 -11.622 9.547 993 HB2 ASP 136 2HB ASP 136 -7.862 -12.429 10.491 994 HB3 ASP 136 1HB ASP 136 -8.296 -12.511 8.786 995 H ILE 137 HN ILE 137 -5.125 -12.566 7.429 996 HA ILE 137 HA ILE 137 -5.541 -10.586 5.354 997 HB ILE 137 HB ILE 137 -4.032 -13.211 5.292 998 HG12 ILE 137 2HG1 ILE 137 -3.019 -11.584 6.810 999 HG13 ILE 137 1HG1 ILE 137 -2.015 -11.798 5.380 1000 HG21 ILE 137 1HG2 ILE 137 -4.147 -10.980 3.265 1001 HG22 ILE 137 2HG2 ILE 137 -4.749 -12.625 3.063 1002 HG23 ILE 137 3HG2 ILE 137 -3.017 -12.332 3.214 1003 HD11 ILE 137 3HD1 ILE 137 -3.887 -9.500 5.907 1004 HD12 ILE 137 1HD1 ILE 137 -2.909 -9.714 4.455 1005 HD13 ILE 137 2HD1 ILE 137 -2.128 -9.467 6.017 1006 H VAL 138 HN VAL 138 -7.344 -10.635 4.198 1007 HA VAL 138 HA VAL 138 -8.562 -13.246 3.662 1008 HB VAL 138 HB VAL 138 -10.737 -12.030 3.472 1009 HG11 VAL 138 1HG1 VAL 138 -10.166 -13.308 5.465 1010 HG12 VAL 138 2HG1 VAL 138 -11.105 -11.877 5.886 1011 HG13 VAL 138 3HG1 VAL 138 -9.362 -11.897 6.153 1012 HG21 VAL 138 3HG2 VAL 138 -10.935 -9.829 4.537 1013 HG22 VAL 138 1HG2 VAL 138 -9.899 -9.781 3.110 1014 HG23 VAL 138 2HG2 VAL 138 -9.183 -9.769 4.721 1015 H ARG 139 HN ARG 139 -8.950 -13.802 1.672 1016 HA ARG 139 HA ARG 139 -8.203 -12.071 -0.512 1017 HB2 ARG 139 2HB ARG 139 -9.174 -14.919 -0.309 1018 HB3 ARG 139 1HB ARG 139 -8.914 -14.124 -1.854 1019 HG2 ARG 139 2HG ARG 139 -6.630 -14.065 -1.592 1020 HG3 ARG 139 1HG ARG 139 -6.726 -14.157 0.167 1021 HD2 ARG 139 2HD ARG 139 -7.568 -16.427 -1.613 1022 HD3 ARG 139 1HD ARG 139 -5.908 -16.233 -1.052 1023 HE ARG 139 HE ARG 139 -7.451 -16.095 1.216 1024 HH11 ARG 139 1HH1 ARG 139 -7.094 -18.449 -1.356 1025 HH12 ARG 139 2HH1 ARG 139 -7.293 -19.815 -0.298 1026 HH21 ARG 139 1HH2 ARG 139 -7.677 -17.881 2.604 1027 HH22 ARG 139 2HH2 ARG 139 -7.632 -19.493 1.958 1028 HA PRO 140 HA PRO 140 -12.243 -10.454 -1.339 1029 HB2 PRO 140 2HB PRO 140 -12.138 -10.483 -4.107 1030 HB3 PRO 140 1HB PRO 140 -11.492 -9.194 -3.085 1031 HG2 PRO 140 2HG PRO 140 -10.072 -11.475 -4.387 1032 HG3 PRO 140 1HG PRO 140 -9.542 -9.795 -4.169 1033 HD2 PRO 140 2HD PRO 140 -8.614 -11.785 -2.616 1034 HD3 PRO 140 1HD PRO 140 -8.895 -10.155 -1.972 1035 H ASP 141 HN ASP 141 -14.252 -11.262 -1.748 1036 HA ASP 141 HA ASP 141 -14.702 -13.988 -1.809 1037 HB2 ASP 141 2HB ASP 141 -16.535 -11.753 -2.711 1038 HB3 ASP 141 1HB ASP 141 -17.049 -13.410 -2.411 1039 HA PRO 142 HA PRO 142 -13.771 -15.188 -5.873 1040 HB2 PRO 142 2HB PRO 142 -15.176 -17.487 -6.101 1041 HB3 PRO 142 1HB PRO 142 -13.779 -17.328 -5.030 1042 HG2 PRO 142 2HG PRO 142 -16.695 -17.175 -4.372 1043 HG3 PRO 142 1HG PRO 142 -15.398 -18.015 -3.503 1044 HD2 PRO 142 2HD PRO 142 -16.363 -15.597 -2.731 1045 HD3 PRO 142 1HD PRO 142 -14.678 -16.092 -2.464 1046 H GLU 143 HN GLU 143 -16.062 -13.368 -5.610 1047 HA GLU 143 HA GLU 143 -17.260 -13.880 -8.219 1048 HB2 GLU 143 2HB GLU 143 -18.871 -13.101 -5.779 1049 HB3 GLU 143 1HB GLU 143 -19.493 -13.246 -7.418 1050 HG2 GLU 143 2HG GLU 143 -18.849 -15.644 -7.383 1051 HG3 GLU 143 1HG GLU 143 -18.404 -15.455 -5.691 1052 H ALA 144 HN ALA 144 -17.274 -11.580 -5.508 1053 HA ALA 144 HA ALA 144 -16.914 -9.357 -5.353 1054 HB1 ALA 144 1HB ALA 144 -15.221 -9.756 -7.816 1055 HB2 ALA 144 2HB ALA 144 -14.693 -10.023 -6.154 1056 HB3 ALA 144 3HB ALA 144 -15.134 -8.401 -6.690 1057 HA PRO 145 HA PRO 145 -20.274 -8.188 -8.221 1058 HB2 PRO 145 2HB PRO 145 -20.953 -6.387 -6.002 1059 HB3 PRO 145 1HB PRO 145 -21.944 -7.617 -6.790 1060 HG2 PRO 145 2HG PRO 145 -21.007 -7.947 -4.296 1061 HG3 PRO 145 1HG PRO 145 -21.169 -9.307 -5.421 1062 HD2 PRO 145 2HD PRO 145 -18.717 -7.764 -4.658 1063 HD3 PRO 145 1HD PRO 145 -18.922 -9.516 -4.871 1064 H LEU 146 HN LEU 146 -21.178 -5.769 -8.493 1065 HA LEU 146 HA LEU 146 -19.059 -4.378 -9.712 1066 HB2 LEU 146 2HB LEU 146 -20.800 -2.569 -10.037 1067 HB3 LEU 146 1HB LEU 146 -21.145 -4.134 -10.735 1068 HG LEU 146 HG LEU 146 -22.529 -4.531 -8.577 1069 HD11 LEU 146 1HD1 LEU 146 -21.753 -2.577 -7.347 1070 HD12 LEU 146 2HD1 LEU 146 -23.496 -2.512 -7.612 1071 HD13 LEU 146 3HD1 LEU 146 -22.415 -1.520 -8.593 1072 HD21 LEU 146 3HD2 LEU 146 -23.474 -4.342 -10.810 1073 HD22 LEU 146 1HD2 LEU 146 -23.440 -2.582 -10.686 1074 HD23 LEU 146 2HD2 LEU 146 -24.489 -3.522 -9.624 1075 H GLU 147 HN GLU 147 -17.978 -2.548 -9.207 1076 HA GLU 147 HA GLU 147 -17.944 -1.779 -6.412 1077 HB2 GLU 147 2HB GLU 147 -16.005 -1.978 -8.376 1078 HB3 GLU 147 1HB GLU 147 -16.255 -0.244 -8.249 1079 HG2 GLU 147 2HG GLU 147 -15.819 -1.881 -5.786 1080 HG3 GLU 147 1HG GLU 147 -14.457 -1.402 -6.792 1081 H HIS 148 HN HIS 148 -17.868 0.589 -5.903 1082 HA HIS 148 HA HIS 148 -19.899 2.010 -7.503 1083 HB2 HIS 148 2HB HIS 148 -20.715 2.928 -5.275 1084 HB3 HIS 148 1HB HIS 148 -21.046 1.226 -5.571 1085 HD1 HIS 148 1HD HIS 148 -19.926 -0.491 -4.025 1086 HD2 HIS 148 2HD HIS 148 -18.818 3.443 -3.233 1087 HE1 HIS 148 1HE HIS 148 -18.704 -0.555 -1.832 1088 HE2 HIS 148 2HE HIS 148 -18.306 1.860 -1.248 1089 H HIS 149 HN HIS 149 -16.841 2.075 -6.044 1090 HA HIS 149 HA HIS 149 -16.720 5.017 -6.201 1091 HB2 HIS 149 2HB HIS 149 -16.161 4.324 -4.008 1092 HB3 HIS 149 1HB HIS 149 -15.178 2.990 -4.589 1093 HD1 HIS 149 1HD HIS 149 -15.103 6.787 -4.441 1094 HD2 HIS 149 2HD HIS 149 -12.539 3.534 -4.773 1095 HE1 HIS 149 1HE HIS 149 -12.780 7.731 -4.254 1096 HE2 HIS 149 2HE HIS 149 -11.289 5.695 -4.139 1097 H HIS 150 HN HIS 150 -15.535 2.088 -7.543 1098 HA HIS 150 HA HIS 150 -13.063 2.964 -8.548 1099 HB2 HIS 150 2HB HIS 150 -13.675 0.591 -8.377 1100 HB3 HIS 150 1HB HIS 150 -14.895 0.809 -9.625 1101 HD1 HIS 150 1HD HIS 150 -11.168 1.656 -9.468 1102 HD2 HIS 150 2HD HIS 150 -13.943 -0.230 -11.922 1103 HE1 HIS 150 1HE HIS 150 -9.875 0.881 -11.479 1104 HE2 HIS 150 2HE HIS 150 -11.535 -0.418 -12.858 1105 H HIS 151 HN HIS 151 -12.491 4.112 -10.245 1106 HA HIS 151 HA HIS 151 -14.515 4.747 -12.300 1107 HB2 HIS 151 2HB HIS 151 -12.227 6.399 -11.209 1108 HB3 HIS 151 1HB HIS 151 -13.002 6.771 -12.744 1109 HD1 HIS 151 1HD HIS 151 -13.651 6.756 -9.041 1110 HD2 HIS 151 2HD HIS 151 -15.473 8.005 -12.560 1111 HE1 HIS 151 1HE HIS 151 -15.563 8.218 -8.328 1112 HE2 HIS 151 2HE HIS 151 -16.781 8.769 -10.464 1113 H HIS 152 HN HIS 152 -13.383 5.247 -14.488 1114 HA HIS 152 HA HIS 152 -10.991 3.550 -14.776 1115 HB2 HIS 152 2HB HIS 152 -13.125 2.337 -15.458 1116 HB3 HIS 152 1HB HIS 152 -13.250 3.496 -16.780 1117 HD1 HIS 152 1HD HIS 152 -11.479 3.310 -18.703 1118 HD2 HIS 152 2HD HIS 152 -11.178 0.376 -15.762 1119 HE1 HIS 152 1HE HIS 152 -9.955 1.544 -19.651 1120 HE2 HIS 152 2HE HIS 152 -9.666 -0.138 -17.794 1121 H HIS 153 HN HIS 153 -9.466 4.897 -15.399 1122 HA HIS 153 HA HIS 153 -10.095 6.915 -17.437 1123 HB2 HIS 153 2HB HIS 153 -9.148 7.921 -15.465 1124 HB3 HIS 153 1HB HIS 153 -7.850 6.737 -15.419 1125 HD1 HIS 153 1HD HIS 153 -5.808 7.171 -16.845 1126 HD2 HIS 153 2HD HIS 153 -8.841 9.943 -17.460 1127 HE1 HIS 153 1HE HIS 153 -4.766 9.019 -18.198 1128 HE2 HIS 153 2HE HIS 153 -6.650 10.638 -18.651 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -9.507 -5.970 5.449 2 H2 MET 1 H2 MET 1 -9.391 -7.639 5.186 3 H3 MET 1 H3 MET 1 -10.560 -6.727 4.359 4 HA MET 1 HA MET 1 -8.909 -5.563 3.130 5 HB2 MET 1 2HB MET 1 -7.180 -5.460 4.841 6 HB3 MET 1 1HB MET 1 -6.955 -7.203 4.758 7 HG2 MET 1 2HG MET 1 -6.199 -6.963 2.427 8 HG3 MET 1 1HG MET 1 -6.355 -5.214 2.575 9 HE1 MET 1 2HE MET 1 -3.820 -4.977 1.749 10 HE2 MET 1 3HE MET 1 -3.698 -6.733 1.633 11 HE3 MET 1 1HE MET 1 -2.470 -5.817 2.510 12 H LYS 2 HN LYS 2 -9.356 -6.388 1.208 13 HA LYS 2 HA LYS 2 -8.790 -9.239 0.722 14 HB2 LYS 2 2HB LYS 2 -10.804 -7.353 -0.367 15 HB3 LYS 2 1HB LYS 2 -10.127 -8.515 -1.495 16 HG2 LYS 2 2HG LYS 2 -12.152 -9.396 -0.604 17 HG3 LYS 2 1HG LYS 2 -10.814 -10.333 0.037 18 HD2 LYS 2 2HD LYS 2 -11.039 -9.438 2.166 19 HD3 LYS 2 1HD LYS 2 -11.923 -8.027 1.583 20 HE2 LYS 2 2HE LYS 2 -13.307 -9.724 2.815 21 HE3 LYS 2 1HE LYS 2 -13.888 -9.299 1.208 22 HZ1 LYS 2 3HZ LYS 2 -12.199 -11.682 1.685 23 HZ2 LYS 2 1HZ LYS 2 -13.156 -11.331 0.333 24 HZ3 LYS 2 2HZ LYS 2 -13.886 -11.737 1.807 25 H THR 3 HN THR 3 -7.113 -9.753 -0.506 26 HA THR 3 HA THR 3 -6.246 -8.055 -2.667 27 HB THR 3 HB THR 3 -5.142 -7.026 -0.676 28 HG1 THR 3 1HG THR 3 -4.063 -6.725 -2.578 29 HG21 THR 3 3HG2 THR 3 -4.823 -9.042 0.667 30 HG22 THR 3 1HG2 THR 3 -3.282 -8.225 0.394 31 HG23 THR 3 2HG2 THR 3 -3.690 -9.672 -0.527 32 H THR 4 HN THR 4 -4.197 -9.061 -3.699 33 HA THR 4 HA THR 4 -4.691 -11.956 -3.815 34 HB THR 4 HB THR 4 -3.683 -11.855 -6.062 35 HG1 THR 4 1HG THR 4 -3.348 -9.663 -6.929 36 HG21 THR 4 3HG2 THR 4 -6.096 -11.568 -5.865 37 HG22 THR 4 1HG2 THR 4 -5.467 -10.574 -7.177 38 HG23 THR 4 2HG2 THR 4 -5.887 -9.832 -5.632 39 HA PRO 5 HA PRO 5 -0.621 -12.963 -2.333 40 HB2 PRO 5 2HB PRO 5 -0.019 -15.024 -4.076 41 HB3 PRO 5 1HB PRO 5 -0.986 -15.192 -2.611 42 HG2 PRO 5 2HG PRO 5 -1.876 -14.900 -5.447 43 HG3 PRO 5 1HG PRO 5 -2.544 -15.923 -4.162 44 HD2 PRO 5 2HD PRO 5 -3.724 -13.629 -4.898 45 HD3 PRO 5 1HD PRO 5 -3.717 -14.175 -3.209 46 H ASP 6 HN ASP 6 -1.197 -12.462 -5.733 47 HA ASP 6 HA ASP 6 1.433 -12.190 -6.663 48 HB2 ASP 6 2HB ASP 6 -0.459 -12.397 -8.177 49 HB3 ASP 6 1HB ASP 6 -1.101 -10.863 -7.611 50 H ILE 7 HN ILE 7 -0.866 -9.737 -5.533 51 HA ILE 7 HA ILE 7 0.884 -7.533 -5.711 52 HB ILE 7 HB ILE 7 -1.548 -7.995 -3.979 53 HG12 ILE 7 2HG1 ILE 7 -2.025 -7.975 -6.367 54 HG13 ILE 7 1HG1 ILE 7 -2.653 -6.513 -5.614 55 HG21 ILE 7 1HG2 ILE 7 -1.600 -5.587 -3.596 56 HG22 ILE 7 2HG2 ILE 7 -0.073 -5.411 -4.457 57 HG23 ILE 7 3HG2 ILE 7 -0.132 -6.306 -2.938 58 HD11 ILE 7 3HD1 ILE 7 -0.742 -5.253 -6.458 59 HD12 ILE 7 1HD1 ILE 7 -1.622 -6.043 -7.767 60 HD13 ILE 7 2HD1 ILE 7 -0.099 -6.720 -7.193 61 H LEU 8 HN LEU 8 0.121 -9.760 -3.074 62 HA LEU 8 HA LEU 8 1.595 -8.546 -1.043 63 HB2 LEU 8 2HB LEU 8 1.029 -11.473 -1.506 64 HB3 LEU 8 1HB LEU 8 1.670 -10.811 -0.015 65 HG LEU 8 HG LEU 8 -1.033 -10.156 -1.192 66 HD11 LEU 8 1HD1 LEU 8 -0.279 -11.852 1.182 67 HD12 LEU 8 2HD1 LEU 8 -0.931 -12.433 -0.350 68 HD13 LEU 8 3HD1 LEU 8 -1.920 -11.420 0.702 69 HD21 LEU 8 3HD2 LEU 8 -1.428 -9.028 0.953 70 HD22 LEU 8 1HD2 LEU 8 -0.116 -8.282 0.043 71 HD23 LEU 8 2HD2 LEU 8 0.248 -9.333 1.410 72 H ASP 9 HN ASP 9 2.611 -10.965 -3.442 73 HA ASP 9 HA ASP 9 5.223 -11.278 -2.387 74 HB2 ASP 9 2HB ASP 9 3.989 -12.816 -4.035 75 HB3 ASP 9 1HB ASP 9 4.530 -11.701 -5.286 76 H GLN 10 HN GLN 10 3.870 -9.188 -4.895 77 HA GLN 10 HA GLN 10 6.251 -7.952 -5.685 78 HB2 GLN 10 2HB GLN 10 3.409 -6.958 -5.610 79 HB3 GLN 10 1HB GLN 10 4.726 -5.999 -6.270 80 HG2 GLN 10 2HG GLN 10 5.217 -7.877 -7.826 81 HG3 GLN 10 1HG GLN 10 3.763 -8.676 -7.237 82 HE21 GLN 10 1HE2 GLN 10 1.776 -7.943 -7.872 83 HE22 GLN 10 2HE2 GLN 10 1.559 -6.756 -9.109 84 H ILE 11 HN ILE 11 4.119 -7.283 -2.953 85 HA ILE 11 HA ILE 11 5.337 -4.883 -2.123 86 HB ILE 11 HB ILE 11 3.835 -6.948 -0.511 87 HG12 ILE 11 2HG1 ILE 11 2.966 -4.274 -1.628 88 HG13 ILE 11 1HG1 ILE 11 2.557 -5.841 -2.320 89 HG21 ILE 11 1HG2 ILE 11 3.564 -5.205 1.195 90 HG22 ILE 11 2HG2 ILE 11 4.635 -4.146 0.276 91 HG23 ILE 11 3HG2 ILE 11 5.256 -5.645 0.968 92 HD11 ILE 11 3HD1 ILE 11 1.729 -4.814 0.386 93 HD12 ILE 11 1HD1 ILE 11 1.354 -6.412 -0.261 94 HD13 ILE 11 2HD1 ILE 11 0.708 -4.971 -1.043 95 H ARG 12 HN ARG 12 5.919 -8.254 -1.099 96 HA ARG 12 HA ARG 12 7.837 -7.632 0.861 97 HB2 ARG 12 2HB ARG 12 8.395 -9.985 0.870 98 HB3 ARG 12 1HB ARG 12 6.654 -9.794 0.732 99 HG2 ARG 12 2HG ARG 12 6.955 -10.098 -1.757 100 HG3 ARG 12 1HG ARG 12 8.605 -10.605 -1.397 101 HD2 ARG 12 2HD ARG 12 6.150 -11.873 -0.199 102 HD3 ARG 12 1HD ARG 12 6.949 -12.468 -1.650 103 HE ARG 12 HE ARG 12 8.436 -12.268 0.878 104 HH11 ARG 12 1HH1 ARG 12 7.202 -14.132 -1.814 105 HH12 ARG 12 2HH1 ARG 12 7.999 -15.602 -1.331 106 HH21 ARG 12 1HH2 ARG 12 9.499 -14.214 1.520 107 HH22 ARG 12 2HH2 ARG 12 9.279 -15.656 0.569 108 H VAL 13 HN VAL 13 8.132 -8.123 -2.600 109 HA VAL 13 HA VAL 13 10.961 -8.301 -2.674 110 HB VAL 13 HB VAL 13 9.030 -7.398 -4.824 111 HG11 VAL 13 1HG1 VAL 13 11.285 -6.574 -5.272 112 HG12 VAL 13 2HG1 VAL 13 10.840 -7.850 -6.405 113 HG13 VAL 13 3HG1 VAL 13 11.928 -8.203 -5.062 114 HG21 VAL 13 3HG2 VAL 13 9.352 -9.669 -5.709 115 HG22 VAL 13 1HG2 VAL 13 8.631 -9.676 -4.099 116 HG23 VAL 13 2HG2 VAL 13 10.340 -10.062 -4.302 117 H HIS 14 HN HIS 14 8.702 -5.614 -2.611 118 HA HIS 14 HA HIS 14 10.476 -3.590 -3.481 119 HB2 HIS 14 2HB HIS 14 8.013 -3.411 -1.730 120 HB3 HIS 14 1HB HIS 14 8.884 -2.013 -2.343 121 HD1 HIS 14 1HD HIS 14 5.990 -2.276 -3.096 122 HD2 HIS 14 2HD HIS 14 9.068 -3.913 -5.369 123 HE1 HIS 14 1HE HIS 14 5.046 -2.567 -5.406 124 HE2 HIS 14 2HE HIS 14 6.866 -3.708 -6.724 125 H GLY 15 HN GLY 15 10.011 -5.132 -0.397 126 HA2 GLY 15 2HA GLY 15 11.332 -3.225 1.228 127 HA3 GLY 15 1HA GLY 15 11.121 -4.926 1.607 128 H ALA 16 HN ALA 16 12.521 -6.138 -0.418 129 HA ALA 16 HA ALA 16 15.236 -5.731 0.404 130 HB1 ALA 16 1HB ALA 16 15.769 -7.570 -1.090 131 HB2 ALA 16 2HB ALA 16 14.169 -7.468 -1.824 132 HB3 ALA 16 3HB ALA 16 14.334 -7.963 -0.141 133 H ASP 17 HN ASP 17 13.265 -4.793 -2.275 134 HA ASP 17 HA ASP 17 15.144 -4.147 -4.223 135 HB2 ASP 17 2HB ASP 17 12.720 -4.238 -4.579 136 HB3 ASP 17 1HB ASP 17 12.512 -2.822 -3.577 137 H ALA 18 HN ALA 18 13.961 -2.314 -1.491 138 HA ALA 18 HA ALA 18 15.835 -0.145 -2.187 139 HB1 ALA 18 1HB ALA 18 13.180 0.095 -0.779 140 HB2 ALA 18 2HB ALA 18 13.495 0.512 -2.463 141 HB3 ALA 18 3HB ALA 18 14.273 1.422 -1.170 142 H TYR 19 HN TYR 19 16.104 -2.561 -0.308 143 HA TYR 19 HA TYR 19 15.947 -2.077 2.347 144 HB2 TYR 19 2HB TYR 19 16.799 -4.190 1.583 145 HB3 TYR 19 1HB TYR 19 18.201 -3.426 0.843 146 HD1 TYR 19 1HD TYR 19 19.962 -2.409 2.348 147 HD2 TYR 19 2HD TYR 19 16.864 -4.905 3.873 148 HE1 TYR 19 1HE TYR 19 21.252 -2.741 4.409 149 HE2 TYR 19 2HE TYR 19 18.149 -5.234 5.941 150 HH TYR 19 HH TYR 19 20.732 -3.309 6.831 151 HA PRO 20 HA PRO 20 16.362 -1.858 4.218 152 HB2 PRO 20 2HB PRO 20 16.082 -0.015 6.155 153 HB3 PRO 20 1HB PRO 20 17.536 -1.011 6.021 154 HG2 PRO 20 2HG PRO 20 17.092 1.822 5.180 155 HG3 PRO 20 1HG PRO 20 18.510 1.090 5.952 156 HD2 PRO 20 2HD PRO 20 18.301 1.607 3.252 157 HD3 PRO 20 1HD PRO 20 19.375 0.384 3.959 158 H GLU 21 HN GLU 21 16.041 1.241 2.780 159 HA GLU 21 HA GLU 21 13.438 1.010 1.966 160 HB2 GLU 21 2HB GLU 21 12.257 2.654 3.368 161 HB3 GLU 21 1HB GLU 21 12.683 1.201 4.246 162 HG2 GLU 21 2HG GLU 21 14.343 2.296 5.475 163 HG3 GLU 21 1HG GLU 21 14.387 3.660 4.358 164 H GLU 22 HN GLU 22 13.131 2.401 0.404 165 HA GLU 22 HA GLU 22 14.633 4.940 0.405 166 HB2 GLU 22 2HB GLU 22 15.296 3.327 -1.406 167 HB3 GLU 22 1HB GLU 22 13.642 3.385 -2.001 168 HG2 GLU 22 2HG GLU 22 13.929 5.830 -2.354 169 HG3 GLU 22 1HG GLU 22 15.628 5.644 -1.919 170 H GLY 23 HN GLY 23 11.843 3.614 1.068 171 HA2 GLY 23 2HA GLY 23 10.108 5.554 1.341 172 HA3 GLY 23 1HA GLY 23 10.059 5.376 -0.410 173 H CYS 24 HN CYS 24 7.910 4.891 1.463 174 HA CYS 24 HA CYS 24 7.646 1.988 1.478 175 HB2 CYS 24 2HB CYS 24 5.914 4.171 2.652 176 HB3 CYS 24 1HB CYS 24 5.567 2.449 2.780 177 HG CYS 24 HG CYS 24 8.515 2.505 3.864 178 H GLY 25 HN GLY 25 4.867 1.778 1.231 179 HA2 GLY 25 2HA GLY 25 4.328 2.909 -1.427 180 HA3 GLY 25 1HA GLY 25 4.180 1.173 -1.177 181 H PHE 26 HN PHE 26 2.138 2.970 -2.016 182 HA PHE 26 HA PHE 26 0.328 2.903 0.298 183 HB2 PHE 26 2HB PHE 26 0.109 4.470 -2.286 184 HB3 PHE 26 1HB PHE 26 -1.076 4.494 -0.986 185 HD1 PHE 26 2HD PHE 26 -0.534 5.546 1.163 186 HD2 PHE 26 1HD PHE 26 2.134 5.712 -2.147 187 HE1 PHE 26 2HE PHE 26 0.682 7.390 2.243 188 HE2 PHE 26 1HE PHE 26 3.358 7.556 -1.074 189 HZ PHE 26 HZ PHE 26 2.633 8.397 1.126 190 H LEU 27 HN LEU 27 -1.713 1.992 0.084 191 HA LEU 27 HA LEU 27 -1.884 -0.086 -1.968 192 HB2 LEU 27 2HB LEU 27 -3.599 0.384 0.481 193 HB3 LEU 27 1HB LEU 27 -3.685 -1.009 -0.579 194 HG LEU 27 HG LEU 27 -1.297 -0.286 1.120 195 HD11 LEU 27 1HD1 LEU 27 -1.962 -2.196 2.493 196 HD12 LEU 27 2HD1 LEU 27 -3.414 -2.395 1.512 197 HD13 LEU 27 3HD1 LEU 27 -3.200 -0.942 2.488 198 HD21 LEU 27 3HD2 LEU 27 -0.504 -2.522 0.537 199 HD22 LEU 27 1HD2 LEU 27 -0.705 -1.521 -0.901 200 HD23 LEU 27 2HD2 LEU 27 -1.906 -2.751 -0.508 201 H LEU 28 HN LEU 28 -2.968 0.374 -3.762 202 HA LEU 28 HA LEU 28 -5.031 2.459 -3.639 203 HB2 LEU 28 2HB LEU 28 -3.661 1.312 -6.072 204 HB3 LEU 28 1HB LEU 28 -4.736 2.695 -6.033 205 HG LEU 28 HG LEU 28 -1.974 2.545 -4.822 206 HD11 LEU 28 1HD1 LEU 28 -1.981 2.738 -7.250 207 HD12 LEU 28 2HD1 LEU 28 -1.426 4.233 -6.500 208 HD13 LEU 28 3HD1 LEU 28 -3.062 4.129 -7.148 209 HD21 LEU 28 3HD2 LEU 28 -3.387 3.903 -3.415 210 HD22 LEU 28 1HD2 LEU 28 -3.985 4.789 -4.816 211 HD23 LEU 28 2HD2 LEU 28 -2.297 4.942 -4.332 212 H GLY 29 HN GLY 29 -7.103 1.985 -4.059 213 HA2 GLY 29 2HA GLY 29 -8.041 -0.132 -5.637 214 HA3 GLY 29 1HA GLY 29 -7.971 -0.686 -3.967 215 H THR 30 HN THR 30 -10.214 -0.863 -3.829 216 HA THR 30 HA THR 30 -11.522 1.727 -3.453 217 HB THR 30 HB THR 30 -13.639 0.433 -4.392 218 HG1 THR 30 1HG THR 30 -11.917 -0.537 -6.331 219 HG21 THR 30 3HG2 THR 30 -12.824 2.569 -5.237 220 HG22 THR 30 1HG2 THR 30 -13.251 1.500 -6.571 221 HG23 THR 30 2HG2 THR 30 -11.558 1.745 -6.147 222 H VAL 31 HN VAL 31 -13.374 1.658 -2.054 223 HA VAL 31 HA VAL 31 -13.182 -0.448 -0.055 224 HB VAL 31 HB VAL 31 -14.959 2.004 -0.088 225 HG11 VAL 31 1HG1 VAL 31 -15.206 1.597 2.311 226 HG12 VAL 31 2HG1 VAL 31 -14.240 0.128 2.164 227 HG13 VAL 31 3HG1 VAL 31 -15.808 0.238 1.363 228 HG21 VAL 31 3HG2 VAL 31 -12.625 2.654 -0.087 229 HG22 VAL 31 1HG2 VAL 31 -12.300 1.565 1.260 230 HG23 VAL 31 2HG2 VAL 31 -13.346 2.965 1.492 231 H THR 32 HN THR 32 -14.503 -2.127 0.015 232 HA THR 32 HA THR 32 -16.364 -2.568 -2.093 233 HB THR 32 HB THR 32 -16.871 -4.696 -0.897 234 HG1 THR 32 1HG THR 32 -14.886 -3.819 0.964 235 HG21 THR 32 3HG2 THR 32 -14.641 -5.682 -1.147 236 HG22 THR 32 1HG2 THR 32 -13.932 -4.068 -1.194 237 HG23 THR 32 2HG2 THR 32 -15.014 -4.594 -2.484 238 H ASP 33 HN ASP 33 -18.623 -3.299 -1.694 239 HA ASP 33 HA ASP 33 -20.116 -1.315 -0.360 240 HB2 ASP 33 2HB ASP 33 -20.886 -4.007 -1.487 241 HB3 ASP 33 1HB ASP 33 -22.058 -2.922 -0.749 242 H ASP 34 HN ASP 34 -18.720 -4.258 0.724 243 HA ASP 34 HA ASP 34 -20.337 -4.649 3.039 244 HB2 ASP 34 2HB ASP 34 -19.000 -6.480 2.159 245 HB3 ASP 34 1HB ASP 34 -17.521 -5.554 2.395 246 H GLY 35 HN GLY 35 -17.515 -2.749 2.278 247 HA2 GLY 35 2HA GLY 35 -17.114 -0.754 3.643 248 HA3 GLY 35 1HA GLY 35 -17.476 -1.742 5.054 249 H ASP 36 HN ASP 36 -15.867 -3.751 3.106 250 HA ASP 36 HA ASP 36 -13.398 -3.390 4.590 251 HB2 ASP 36 2HB ASP 36 -14.507 -5.628 4.305 252 HB3 ASP 36 1HB ASP 36 -14.083 -5.563 2.600 253 H ASN 37 HN ASN 37 -11.338 -3.402 3.546 254 HA ASN 37 HA ASN 37 -11.413 -1.701 1.161 255 HB2 ASN 37 2HB ASN 37 -9.131 -2.306 3.058 256 HB3 ASN 37 1HB ASN 37 -9.053 -1.184 1.707 257 HD21 ASN 37 1HD2 ASN 37 -8.589 -0.708 4.501 258 HD22 ASN 37 2HD2 ASN 37 -9.708 0.521 4.993 259 H ARG 38 HN ARG 38 -10.797 -2.420 -0.793 260 HA ARG 38 HA ARG 38 -9.246 -4.919 -0.879 261 HB2 ARG 38 2HB ARG 38 -10.294 -5.546 -2.901 262 HB3 ARG 38 1HB ARG 38 -11.587 -5.015 -1.841 263 HG2 ARG 38 2HG ARG 38 -11.404 -2.776 -3.021 264 HG3 ARG 38 1HG ARG 38 -10.431 -3.618 -4.222 265 HD2 ARG 38 2HD ARG 38 -12.240 -5.172 -4.659 266 HD3 ARG 38 1HD ARG 38 -13.218 -4.431 -3.395 267 HE ARG 38 HE ARG 38 -12.521 -2.454 -5.264 268 HH11 ARG 38 1HH1 ARG 38 -14.514 -5.325 -5.024 269 HH12 ARG 38 2HH1 ARG 38 -15.674 -4.785 -6.195 270 HH21 ARG 38 1HH2 ARG 38 -14.017 -1.751 -6.829 271 HH22 ARG 38 2HH2 ARG 38 -15.381 -2.747 -7.249 272 H VAL 39 HN VAL 39 -7.557 -5.068 -2.281 273 HA VAL 39 HA VAL 39 -6.466 -2.463 -3.119 274 HB VAL 39 HB VAL 39 -4.920 -4.951 -2.346 275 HG11 VAL 39 1HG1 VAL 39 -2.966 -3.476 -2.372 276 HG12 VAL 39 2HG1 VAL 39 -3.977 -2.144 -2.934 277 HG13 VAL 39 3HG1 VAL 39 -3.737 -3.563 -3.956 278 HG21 VAL 39 3HG2 VAL 39 -4.296 -3.696 -0.321 279 HG22 VAL 39 1HG2 VAL 39 -6.029 -4.014 -0.404 280 HG23 VAL 39 2HG2 VAL 39 -5.409 -2.411 -0.790 281 H ALA 40 HN ALA 40 -6.235 -2.164 -5.222 282 HA ALA 40 HA ALA 40 -6.136 -4.537 -6.967 283 HB1 ALA 40 1HB ALA 40 -7.224 -3.179 -8.690 284 HB2 ALA 40 2HB ALA 40 -7.281 -1.814 -7.572 285 HB3 ALA 40 3HB ALA 40 -8.203 -3.278 -7.226 286 H ALA 41 HN ALA 41 -4.494 -1.680 -5.997 287 HA ALA 41 HA ALA 41 -2.415 -2.180 -7.976 288 HB1 ALA 41 1HB ALA 41 -3.883 -0.575 -9.093 289 HB2 ALA 41 2HB ALA 41 -2.319 0.142 -8.711 290 HB3 ALA 41 3HB ALA 41 -3.725 0.524 -7.719 291 H LEU 42 HN LEU 42 -0.479 -0.789 -7.569 292 HA LEU 42 HA LEU 42 -0.229 -0.001 -4.741 293 HB2 LEU 42 2HB LEU 42 1.766 -1.607 -6.345 294 HB3 LEU 42 1HB LEU 42 2.060 -0.947 -4.751 295 HG LEU 42 HG LEU 42 -0.005 -3.049 -5.403 296 HD11 LEU 42 1HD1 LEU 42 1.521 -4.550 -4.170 297 HD12 LEU 42 2HD1 LEU 42 2.708 -3.247 -4.101 298 HD13 LEU 42 3HD1 LEU 42 2.235 -3.925 -5.658 299 HD21 LEU 42 3HD2 LEU 42 -0.632 -1.647 -3.500 300 HD22 LEU 42 1HD2 LEU 42 0.940 -1.945 -2.758 301 HD23 LEU 42 2HD2 LEU 42 -0.198 -3.275 -2.976 302 H HIS 43 HN HIS 43 1.036 1.811 -4.384 303 HA HIS 43 HA HIS 43 2.546 2.847 -6.685 304 HB2 HIS 43 2HB HIS 43 0.386 4.126 -6.319 305 HB3 HIS 43 1HB HIS 43 1.048 4.646 -4.772 306 HD1 HIS 43 1HD HIS 43 1.279 5.241 -8.435 307 HD2 HIS 43 2HD HIS 43 3.209 6.484 -4.964 308 HE1 HIS 43 1HE HIS 43 2.659 7.240 -9.096 309 HE2 HIS 43 2HE HIS 43 4.019 7.792 -7.046 310 H ARG 44 HN ARG 44 4.534 3.555 -6.243 311 HA ARG 44 HA ARG 44 5.604 2.982 -3.612 312 HB2 ARG 44 2HB ARG 44 6.761 2.136 -5.566 313 HB3 ARG 44 1HB ARG 44 6.869 3.746 -6.249 314 HG2 ARG 44 2HG ARG 44 8.415 4.406 -4.486 315 HG3 ARG 44 1HG ARG 44 8.275 2.800 -3.758 316 HD2 ARG 44 2HD ARG 44 9.190 1.773 -5.736 317 HD3 ARG 44 1HD ARG 44 9.219 3.320 -6.574 318 HE ARG 44 HE ARG 44 10.943 4.003 -4.937 319 HH11 ARG 44 1HH1 ARG 44 10.298 0.595 -5.361 320 HH12 ARG 44 2HH1 ARG 44 11.948 0.099 -5.083 321 HH21 ARG 44 1HH2 ARG 44 13.139 3.381 -4.557 322 HH22 ARG 44 2HH2 ARG 44 13.545 1.689 -4.587 323 H ALA 45 HN ALA 45 6.260 4.484 -2.153 324 HA ALA 45 HA ALA 45 5.993 7.305 -2.853 325 HB1 ALA 45 1HB ALA 45 5.022 6.566 -0.738 326 HB2 ALA 45 2HB ALA 45 6.321 7.729 -0.468 327 HB3 ALA 45 3HB ALA 45 6.605 6.008 -0.197 328 H THR 46 HN THR 46 7.753 7.555 -4.224 329 HA THR 46 HA THR 46 10.342 6.556 -3.426 330 HB THR 46 HB THR 46 9.782 8.235 -5.847 331 HG1 THR 46 1HG THR 46 8.380 6.629 -6.266 332 HG21 THR 46 3HG2 THR 46 11.643 6.947 -6.786 333 HG22 THR 46 1HG2 THR 46 11.787 6.061 -5.267 334 HG23 THR 46 2HG2 THR 46 12.119 7.794 -5.312 335 H ASN 47 HN ASN 47 11.730 7.643 -2.355 336 HA ASN 47 HA ASN 47 13.130 9.266 -1.630 337 HB2 ASN 47 2HB ASN 47 13.141 10.071 -3.970 338 HB3 ASN 47 1HB ASN 47 11.758 11.099 -3.600 339 HD21 ASN 47 1HD2 ASN 47 15.146 10.527 -2.986 340 HD22 ASN 47 2HD2 ASN 47 15.508 12.132 -2.429 341 H ARG 48 HN ARG 48 9.751 10.268 -1.960 342 HA ARG 48 HA ARG 48 9.987 11.599 0.655 343 HB2 ARG 48 2HB ARG 48 8.338 12.121 -1.737 344 HB3 ARG 48 1HB ARG 48 7.486 12.259 -0.204 345 HG2 ARG 48 2HG ARG 48 8.413 14.399 -0.987 346 HG3 ARG 48 1HG ARG 48 9.063 13.906 0.578 347 HD2 ARG 48 2HD ARG 48 10.992 12.884 -0.789 348 HD3 ARG 48 1HD ARG 48 10.394 13.885 -2.111 349 HE ARG 48 HE ARG 48 10.793 15.830 -0.661 350 HH11 ARG 48 1HH1 ARG 48 12.414 12.815 0.094 351 HH12 ARG 48 2HH1 ARG 48 13.656 13.572 1.038 352 HH21 ARG 48 1HH2 ARG 48 12.445 16.831 0.578 353 HH22 ARG 48 2HH2 ARG 48 13.682 15.854 1.303 354 H ARG 49 HN ARG 49 9.817 9.913 2.030 355 HA ARG 49 HA ARG 49 7.733 7.913 1.670 356 HB2 ARG 49 2HB ARG 49 10.114 7.404 2.426 357 HB3 ARG 49 1HB ARG 49 9.690 8.151 3.958 358 HG2 ARG 49 2HG ARG 49 7.688 6.421 3.819 359 HG3 ARG 49 1HG ARG 49 8.847 5.558 2.808 360 HD2 ARG 49 2HD ARG 49 9.261 4.737 4.951 361 HD3 ARG 49 1HD ARG 49 10.512 5.959 4.724 362 HE ARG 49 HE ARG 49 8.044 6.780 6.048 363 HH11 ARG 49 1HH1 ARG 49 11.403 5.808 6.384 364 HH12 ARG 49 2HH1 ARG 49 11.570 6.544 7.951 365 HH21 ARG 49 1HH2 ARG 49 8.262 7.714 8.116 366 HH22 ARG 49 2HH2 ARG 49 9.799 7.617 8.934 367 H SER 50 HN SER 50 8.601 10.569 3.782 368 HA SER 50 HA SER 50 5.982 10.340 5.114 369 HB2 SER 50 2HB SER 50 7.998 9.475 6.469 370 HB3 SER 50 1HB SER 50 8.504 11.159 6.561 371 HG SER 50 HG SER 50 6.483 9.832 7.872 372 H GLU 51 HN GLU 51 8.815 12.375 4.560 373 HA GLU 51 HA GLU 51 9.119 14.564 4.160 374 HB2 GLU 51 2HB GLU 51 7.529 14.156 2.311 375 HB3 GLU 51 1HB GLU 51 6.201 14.588 3.379 376 HG2 GLU 51 2HG GLU 51 6.965 16.386 1.802 377 HG3 GLU 51 1HG GLU 51 6.911 16.838 3.506 378 H GLN 52 HN GLN 52 5.764 15.030 5.104 379 HA GLN 52 HA GLN 52 4.750 16.026 6.863 380 HB2 GLN 52 2HB GLN 52 6.335 14.439 8.134 381 HB3 GLN 52 1HB GLN 52 7.298 15.871 8.447 382 HG2 GLN 52 2HG GLN 52 4.399 15.836 9.162 383 HG3 GLN 52 1HG GLN 52 5.571 15.027 10.195 384 HE21 GLN 52 1HE2 GLN 52 4.279 18.036 9.153 385 HE22 GLN 52 2HE2 GLN 52 5.191 19.057 10.217 386 H ARG 53 HN ARG 53 7.921 17.194 6.056 387 HA ARG 53 HA ARG 53 7.775 19.706 7.332 388 HB2 ARG 53 2HB ARG 53 9.388 18.922 4.898 389 HB3 ARG 53 1HB ARG 53 9.662 20.340 5.894 390 HG2 ARG 53 2HG ARG 53 9.820 17.550 6.994 391 HG3 ARG 53 1HG ARG 53 11.197 18.363 6.250 392 HD2 ARG 53 2HD ARG 53 11.503 18.843 8.488 393 HD3 ARG 53 1HD ARG 53 10.652 20.274 7.914 394 HE ARG 53 HE ARG 53 9.114 18.100 9.143 395 HH11 ARG 53 1HH1 ARG 53 10.360 21.373 9.250 396 HH12 ARG 53 2HH1 ARG 53 9.398 21.836 10.621 397 HH21 ARG 53 1HH2 ARG 53 7.849 18.701 10.957 398 HH22 ARG 53 2HH2 ARG 53 7.985 20.310 11.603 399 H THR 54 HN THR 54 7.756 19.150 3.807 400 HA THR 54 HA THR 54 6.182 21.618 3.566 401 HB THR 54 HB THR 54 8.320 21.828 2.495 402 HG1 THR 54 1HG THR 54 7.225 21.627 0.104 403 HG21 THR 54 3HG2 THR 54 8.882 19.493 2.150 404 HG22 THR 54 1HG2 THR 54 9.015 20.374 0.629 405 HG23 THR 54 2HG2 THR 54 7.616 19.344 0.932 406 H ARG 55 HN ARG 55 4.133 21.404 3.096 407 HA ARG 55 HA ARG 55 3.290 19.344 1.170 408 HB2 ARG 55 2HB ARG 55 1.814 20.187 3.677 409 HB3 ARG 55 1HB ARG 55 1.163 19.121 2.442 410 HG2 ARG 55 2HG ARG 55 2.842 17.456 2.948 411 HG3 ARG 55 1HG ARG 55 3.597 18.543 4.116 412 HD2 ARG 55 2HD ARG 55 0.774 17.496 4.293 413 HD3 ARG 55 1HD ARG 55 2.153 16.848 5.182 414 HE ARG 55 HE ARG 55 2.311 19.125 6.224 415 HH11 ARG 55 1HH1 ARG 55 -0.738 17.961 4.937 416 HH12 ARG 55 2HH1 ARG 55 -1.709 18.918 6.010 417 HH21 ARG 55 1HH2 ARG 55 1.058 20.386 7.628 418 HH22 ARG 55 2HH2 ARG 55 -0.680 20.314 7.551 419 H ARG 56 HN ARG 56 2.606 20.451 -0.610 420 HA ARG 56 HA ARG 56 1.157 22.969 -0.133 421 HB2 ARG 56 2HB ARG 56 3.707 22.999 -0.923 422 HB3 ARG 56 1HB ARG 56 2.945 22.809 -2.499 423 HG2 ARG 56 2HG ARG 56 1.765 24.837 -2.281 424 HG3 ARG 56 1HG ARG 56 2.140 24.955 -0.561 425 HD2 ARG 56 2HD ARG 56 4.581 25.064 -1.269 426 HD3 ARG 56 1HD ARG 56 3.981 25.326 -2.907 427 HE ARG 56 HE ARG 56 2.862 27.339 -2.053 428 HH11 ARG 56 1HH1 ARG 56 5.480 25.952 -0.181 429 HH12 ARG 56 2HH1 ARG 56 5.856 27.447 0.628 430 HH21 ARG 56 1HH2 ARG 56 3.332 29.289 -0.962 431 HH22 ARG 56 2HH2 ARG 56 4.615 29.332 0.212 432 H TYR 57 HN TYR 57 0.302 20.228 -0.841 433 HA TYR 57 HA TYR 57 -1.497 19.377 -1.926 434 HB2 TYR 57 2HB TYR 57 -2.495 21.612 -1.839 435 HB3 TYR 57 1HB TYR 57 -1.656 22.056 -3.319 436 HD1 TYR 57 2HD TYR 57 -4.149 19.663 -1.958 437 HD2 TYR 57 1HD TYR 57 -2.667 21.680 -5.401 438 HE1 TYR 57 2HE TYR 57 -6.051 18.824 -3.263 439 HE2 TYR 57 1HE TYR 57 -4.569 20.841 -6.718 440 HH TYR 57 HH TYR 57 -7.304 19.464 -5.285 441 H GLU 58 HN GLU 58 0.712 21.157 -4.048 442 HA GLU 58 HA GLU 58 0.288 19.583 -6.351 443 HB2 GLU 58 2HB GLU 58 2.690 21.191 -5.470 444 HB3 GLU 58 1HB GLU 58 2.515 20.475 -7.066 445 HG2 GLU 58 2HG GLU 58 0.653 22.513 -5.874 446 HG3 GLU 58 1HG GLU 58 1.950 22.864 -7.016 447 H LEU 59 HN LEU 59 1.915 18.117 -7.312 448 HA LEU 59 HA LEU 59 2.425 15.983 -5.503 449 HB2 LEU 59 2HB LEU 59 3.107 16.395 -8.408 450 HB3 LEU 59 1HB LEU 59 3.570 14.952 -7.531 451 HG LEU 59 HG LEU 59 1.119 14.568 -7.055 452 HD11 LEU 59 1HD1 LEU 59 -0.506 15.670 -8.483 453 HD12 LEU 59 2HD1 LEU 59 0.762 16.687 -9.167 454 HD13 LEU 59 3HD1 LEU 59 0.327 16.844 -7.465 455 HD21 LEU 59 3HD2 LEU 59 0.664 13.682 -9.295 456 HD22 LEU 59 1HD2 LEU 59 2.302 13.315 -8.755 457 HD23 LEU 59 2HD2 LEU 59 2.028 14.604 -9.926 458 H THR 60 HN THR 60 3.921 16.413 -3.986 459 HA THR 60 HA THR 60 6.478 17.578 -4.691 460 HB THR 60 HB THR 60 6.937 17.083 -2.198 461 HG1 THR 60 1HG THR 60 4.942 15.616 -2.252 462 HG21 THR 60 3HG2 THR 60 5.623 19.037 -1.477 463 HG22 THR 60 1HG2 THR 60 4.702 18.965 -2.981 464 HG23 THR 60 2HG2 THR 60 6.430 19.318 -3.019 465 H ALA 61 HN ALA 61 7.609 16.159 -5.925 466 HA ALA 61 HA ALA 61 8.758 14.310 -6.572 467 HB1 ALA 61 1HB ALA 61 9.867 14.537 -4.394 468 HB2 ALA 61 2HB ALA 61 9.691 12.844 -4.858 469 HB3 ALA 61 3HB ALA 61 8.612 13.546 -3.652 470 H ASP 62 HN ASP 62 8.488 11.627 -5.466 471 HA ASP 62 HA ASP 62 5.860 10.987 -6.568 472 HB2 ASP 62 2HB ASP 62 7.964 9.825 -7.345 473 HB3 ASP 62 1HB ASP 62 8.066 9.088 -5.751 474 H ASP 63 HN ASP 63 4.864 11.947 -4.647 475 HA ASP 63 HA ASP 63 5.159 10.382 -2.172 476 HB2 ASP 63 2HB ASP 63 4.482 12.324 -0.975 477 HB3 ASP 63 1HB ASP 63 5.629 12.883 -2.189 478 H TYR 64 HN TYR 64 2.853 11.324 -0.906 479 HA TYR 64 HA TYR 64 0.899 9.481 -1.645 480 HB2 TYR 64 2HB TYR 64 0.916 10.375 0.596 481 HB3 TYR 64 1HB TYR 64 0.687 12.014 -0.003 482 HD1 TYR 64 1HD TYR 64 -0.966 8.738 0.453 483 HD2 TYR 64 2HD TYR 64 -1.487 12.849 -0.508 484 HE1 TYR 64 1HE TYR 64 -3.405 8.467 0.632 485 HE2 TYR 64 2HE TYR 64 -3.923 12.590 -0.325 486 HH TYR 64 HH TYR 64 -5.589 10.650 -0.571 487 H ARG 65 HN ARG 65 1.266 12.918 -2.477 488 HA ARG 65 HA ARG 65 -1.244 13.247 -3.686 489 HB2 ARG 65 2HB ARG 65 1.369 14.659 -4.002 490 HB3 ARG 65 1HB ARG 65 -0.016 15.076 -5.000 491 HG2 ARG 65 2HG ARG 65 0.157 15.193 -2.001 492 HG3 ARG 65 1HG ARG 65 0.045 16.540 -3.126 493 HD2 ARG 65 2HD ARG 65 -2.068 14.448 -2.663 494 HD3 ARG 65 1HD ARG 65 -2.105 16.103 -2.064 495 HE ARG 65 HE ARG 65 -1.985 16.645 -4.600 496 HH11 ARG 65 1HH1 ARG 65 -3.734 13.996 -3.130 497 HH12 ARG 65 2HH1 ARG 65 -4.948 13.918 -4.370 498 HH21 ARG 65 1HH2 ARG 65 -3.606 16.571 -6.235 499 HH22 ARG 65 2HH2 ARG 65 -4.893 15.412 -6.115 500 H ALA 66 HN ALA 66 1.806 12.047 -4.962 501 HA ALA 66 HA ALA 66 0.891 11.828 -7.654 502 HB1 ALA 66 1HB ALA 66 3.152 10.380 -6.273 503 HB2 ALA 66 2HB ALA 66 3.275 11.932 -7.104 504 HB3 ALA 66 3HB ALA 66 2.892 10.472 -8.016 505 H ALA 67 HN ALA 67 0.979 9.656 -4.889 506 HA ALA 67 HA ALA 67 0.037 7.339 -6.222 507 HB1 ALA 67 1HB ALA 67 1.102 7.250 -4.016 508 HB2 ALA 67 2HB ALA 67 -0.499 6.508 -3.981 509 HB3 ALA 67 3HB ALA 67 -0.261 8.126 -3.319 510 H ASP 68 HN ASP 68 -1.555 9.977 -4.523 511 HA ASP 68 HA ASP 68 -4.196 8.961 -4.667 512 HB2 ASP 68 2HB ASP 68 -3.434 10.747 -3.102 513 HB3 ASP 68 1HB ASP 68 -3.295 11.845 -4.469 514 H ALA 69 HN ALA 69 -2.327 11.181 -6.694 515 HA ALA 69 HA ALA 69 -4.317 11.782 -8.569 516 HB1 ALA 69 1HB ALA 69 -2.490 12.384 -10.076 517 HB2 ALA 69 2HB ALA 69 -1.341 11.567 -9.017 518 HB3 ALA 69 3HB ALA 69 -2.203 12.995 -8.446 519 H ALA 70 HN ALA 70 -1.808 9.247 -8.653 520 HA ALA 70 HA ALA 70 -2.636 8.094 -11.087 521 HB1 ALA 70 1HB ALA 70 -1.275 6.171 -10.430 522 HB2 ALA 70 2HB ALA 70 -1.177 6.801 -8.783 523 HB3 ALA 70 3HB ALA 70 -0.437 7.690 -10.115 524 H ALA 71 HN ALA 71 -3.669 7.569 -7.769 525 HA ALA 71 HA ALA 71 -5.166 5.224 -8.209 526 HB1 ALA 71 1HB ALA 71 -5.674 7.393 -6.174 527 HB2 ALA 71 2HB ALA 71 -4.554 6.048 -5.971 528 HB3 ALA 71 3HB ALA 71 -6.284 5.740 -6.117 529 H GLN 72 HN GLN 72 -6.189 8.649 -8.129 530 HA GLN 72 HA GLN 72 -8.869 8.068 -8.822 531 HB2 GLN 72 2HB GLN 72 -9.120 10.471 -9.217 532 HB3 GLN 72 1HB GLN 72 -8.281 10.149 -7.708 533 HG2 GLN 72 2HG GLN 72 -6.143 10.622 -8.841 534 HG3 GLN 72 1HG GLN 72 -7.042 11.035 -10.301 535 HE21 GLN 72 1HE2 GLN 72 -6.234 11.991 -7.057 536 HE22 GLN 72 2HE2 GLN 72 -6.801 13.623 -7.185 537 H GLU 73 HN GLU 73 -6.003 8.730 -10.746 538 HA GLU 73 HA GLU 73 -7.157 9.013 -13.263 539 HB2 GLU 73 2HB GLU 73 -4.564 7.746 -12.399 540 HB3 GLU 73 1HB GLU 73 -4.992 7.984 -14.077 541 HG2 GLU 73 2HG GLU 73 -5.245 10.435 -13.534 542 HG3 GLU 73 1HG GLU 73 -4.478 10.065 -11.988 543 H GLN 74 HN GLN 74 -6.381 6.152 -11.405 544 HA GLN 74 HA GLN 74 -7.292 4.361 -13.491 545 HB2 GLN 74 2HB GLN 74 -6.098 3.986 -10.759 546 HB3 GLN 74 1HB GLN 74 -6.727 2.630 -11.677 547 HG2 GLN 74 2HG GLN 74 -5.130 2.936 -13.403 548 HG3 GLN 74 1HG GLN 74 -4.648 4.505 -12.765 549 HE21 GLN 74 1HE2 GLN 74 -4.535 3.681 -10.021 550 HE22 GLN 74 2HE2 GLN 74 -3.147 2.672 -9.852 551 H GLY 75 HN GLY 75 -8.839 6.178 -11.223 552 HA2 GLY 75 2HA GLY 75 -11.118 6.171 -10.737 553 HA3 GLY 75 1HA GLY 75 -11.234 4.563 -11.435 554 H LEU 76 HN LEU 76 -8.773 5.069 -9.113 555 HA LEU 76 HA LEU 76 -10.336 3.560 -7.119 556 HB2 LEU 76 2HB LEU 76 -7.355 3.521 -7.604 557 HB3 LEU 76 1HB LEU 76 -8.210 2.582 -6.396 558 HG LEU 76 HG LEU 76 -8.517 2.278 -9.383 559 HD11 LEU 76 1HD1 LEU 76 -7.096 0.553 -7.359 560 HD12 LEU 76 2HD1 LEU 76 -6.339 1.530 -8.617 561 HD13 LEU 76 3HD1 LEU 76 -7.346 0.151 -9.057 562 HD21 LEU 76 3HD2 LEU 76 -10.557 1.728 -8.176 563 HD22 LEU 76 1HD2 LEU 76 -9.650 0.660 -7.103 564 HD23 LEU 76 2HD2 LEU 76 -9.794 0.274 -8.819 565 H ASP 77 HN ASP 77 -8.947 3.764 -4.909 566 HA ASP 77 HA ASP 77 -7.789 6.403 -4.580 567 HB2 ASP 77 2HB ASP 77 -9.132 6.806 -2.485 568 HB3 ASP 77 1HB ASP 77 -10.036 6.954 -3.984 569 H VAL 78 HN VAL 78 -7.046 6.554 -2.135 570 HA VAL 78 HA VAL 78 -5.315 4.248 -1.826 571 HB VAL 78 HB VAL 78 -5.406 6.771 -0.156 572 HG11 VAL 78 1HG1 VAL 78 -4.242 4.940 0.931 573 HG12 VAL 78 2HG1 VAL 78 -3.099 6.182 0.421 574 HG13 VAL 78 3HG1 VAL 78 -3.251 4.692 -0.509 575 HG21 VAL 78 3HG2 VAL 78 -3.535 7.556 -1.549 576 HG22 VAL 78 1HG2 VAL 78 -5.023 7.364 -2.474 577 HG23 VAL 78 2HG2 VAL 78 -3.746 6.154 -2.598 578 H VAL 79 HN VAL 79 -6.021 2.554 -0.717 579 HA VAL 79 HA VAL 79 -7.999 2.969 1.415 580 HB VAL 79 HB VAL 79 -8.415 0.533 1.257 581 HG11 VAL 79 1HG1 VAL 79 -8.601 1.993 -1.376 582 HG12 VAL 79 2HG1 VAL 79 -9.749 2.124 -0.042 583 HG13 VAL 79 3HG1 VAL 79 -9.557 0.592 -0.895 584 HG21 VAL 79 3HG2 VAL 79 -6.462 0.657 -1.045 585 HG22 VAL 79 1HG2 VAL 79 -7.489 -0.719 -0.648 586 HG23 VAL 79 2HG2 VAL 79 -6.229 -0.208 0.476 587 H GLY 80 HN GLY 80 -4.732 2.683 1.153 588 HA2 GLY 80 2HA GLY 80 -4.302 2.425 3.886 589 HA3 GLY 80 1HA GLY 80 -4.150 0.813 3.205 590 H VAL 81 HN VAL 81 -1.991 1.346 4.287 591 HA VAL 81 HA VAL 81 -0.120 2.157 2.170 592 HB VAL 81 HB VAL 81 0.381 2.987 5.018 593 HG11 VAL 81 1HG1 VAL 81 2.312 2.928 3.598 594 HG12 VAL 81 2HG1 VAL 81 1.911 4.601 3.987 595 HG13 VAL 81 3HG1 VAL 81 1.504 3.943 2.401 596 HG21 VAL 81 3HG2 VAL 81 -1.686 4.111 4.406 597 HG22 VAL 81 1HG2 VAL 81 -0.938 4.711 2.925 598 HG23 VAL 81 2HG2 VAL 81 -0.352 5.263 4.496 599 H TYR 82 HN TYR 82 2.036 1.192 2.528 600 HA TYR 82 HA TYR 82 2.081 -0.781 4.682 601 HB2 TYR 82 2HB TYR 82 3.063 -2.506 3.290 602 HB3 TYR 82 1HB TYR 82 1.500 -2.025 2.658 603 HD1 TYR 82 2HD TYR 82 5.144 -1.836 2.104 604 HD2 TYR 82 1HD TYR 82 1.283 -1.157 0.449 605 HE1 TYR 82 2HE TYR 82 6.151 -1.580 -0.121 606 HE2 TYR 82 1HE TYR 82 2.283 -0.909 -1.785 607 HH TYR 82 HH TYR 82 4.474 -0.314 -2.768 608 H HIS 83 HN HIS 83 3.947 -1.096 5.696 609 HA HIS 83 HA HIS 83 6.155 0.714 4.961 610 HB2 HIS 83 2HB HIS 83 5.167 -0.205 7.664 611 HB3 HIS 83 1HB HIS 83 6.743 0.538 7.439 612 HD1 HIS 83 1HD HIS 83 3.295 1.341 8.171 613 HD2 HIS 83 2HD HIS 83 6.518 3.289 6.403 614 HE1 HIS 83 1HE HIS 83 2.740 3.793 8.251 615 HE2 HIS 83 2HE HIS 83 4.835 4.947 7.457 616 H SER 84 HN SER 84 8.272 -0.047 5.175 617 HA SER 84 HA SER 84 8.518 -2.972 5.353 618 HB2 SER 84 2HB SER 84 10.466 -0.955 4.195 619 HB3 SER 84 1HB SER 84 10.617 -2.710 4.124 620 HG SER 84 HG SER 84 9.674 -1.513 2.234 621 H HIS 85 HN HIS 85 9.578 -3.836 7.062 622 HA HIS 85 HA HIS 85 11.047 -1.956 8.785 623 HB2 HIS 85 2HB HIS 85 8.942 -3.943 9.544 624 HB3 HIS 85 1HB HIS 85 10.194 -3.511 10.699 625 HD1 HIS 85 1HD HIS 85 9.623 -1.586 12.159 626 HD2 HIS 85 2HD HIS 85 7.522 -1.494 8.571 627 HE1 HIS 85 1HE HIS 85 8.056 0.369 12.344 628 HE2 HIS 85 2HE HIS 85 6.663 0.298 10.241 629 HA PRO 86 HA PRO 86 14.012 -5.414 8.466 630 HB2 PRO 86 2HB PRO 86 16.005 -3.377 7.996 631 HB3 PRO 86 1HB PRO 86 15.522 -4.698 6.930 632 HG2 PRO 86 2HG PRO 86 15.045 -2.056 6.388 633 HG3 PRO 86 1HG PRO 86 14.063 -3.389 5.759 634 HD2 PRO 86 2HD PRO 86 13.527 -1.569 8.073 635 HD3 PRO 86 1HD PRO 86 12.406 -2.177 6.833 636 H ASP 87 HN ASP 87 13.076 -4.939 10.744 637 HA ASP 87 HA ASP 87 15.131 -3.974 12.524 638 HB2 ASP 87 2HB ASP 87 14.196 -1.847 11.993 639 HB3 ASP 87 1HB ASP 87 12.552 -2.460 12.099 640 H HIS 88 HN HIS 88 11.596 -4.156 12.852 641 HA HIS 88 HA HIS 88 11.981 -6.438 14.672 642 HB2 HIS 88 2HB HIS 88 9.838 -4.301 14.696 643 HB3 HIS 88 1HB HIS 88 9.757 -5.767 15.662 644 HD1 HIS 88 1HD HIS 88 9.655 -3.424 17.352 645 HD2 HIS 88 2HD HIS 88 13.299 -4.876 15.981 646 HE1 HIS 88 1HE HIS 88 11.393 -2.484 18.911 647 HE2 HIS 88 2HE HIS 88 13.595 -3.150 17.881 648 HA PRO 89 HA PRO 89 9.984 -8.928 11.760 649 HB2 PRO 89 2HB PRO 89 8.840 -10.563 13.908 650 HB3 PRO 89 1HB PRO 89 10.083 -10.974 12.723 651 HG2 PRO 89 2HG PRO 89 10.661 -10.621 15.325 652 HG3 PRO 89 1HG PRO 89 11.794 -10.165 14.037 653 HD2 PRO 89 2HD PRO 89 9.937 -8.427 15.631 654 HD3 PRO 89 1HD PRO 89 11.627 -8.134 15.163 655 H ALA 90 HN ALA 90 8.391 -7.504 10.975 656 HA ALA 90 HA ALA 90 6.305 -7.204 10.153 657 HB1 ALA 90 1HB ALA 90 5.655 -9.753 11.621 658 HB2 ALA 90 2HB ALA 90 6.347 -9.645 10.003 659 HB3 ALA 90 3HB ALA 90 4.723 -9.028 10.308 660 H ARG 91 HN ARG 91 7.000 -6.136 12.875 661 HA ARG 91 HA ARG 91 4.226 -5.568 13.645 662 HB2 ARG 91 2HB ARG 91 6.515 -6.161 15.512 663 HB3 ARG 91 1HB ARG 91 4.999 -5.454 16.040 664 HG2 ARG 91 2HG ARG 91 3.807 -7.439 15.281 665 HG3 ARG 91 1HG ARG 91 5.329 -8.141 14.725 666 HD2 ARG 91 2HD ARG 91 4.765 -9.075 16.870 667 HD3 ARG 91 1HD ARG 91 6.179 -8.039 17.039 668 HE ARG 91 HE ARG 91 4.240 -6.344 17.700 669 HH11 ARG 91 1HH1 ARG 91 4.783 -9.658 18.670 670 HH12 ARG 91 2HH1 ARG 91 4.027 -9.471 20.220 671 HH21 ARG 91 1HH2 ARG 91 3.269 -6.064 19.724 672 HH22 ARG 91 2HH2 ARG 91 3.168 -7.406 20.833 673 HA PRO 92 HA PRO 92 5.308 -1.391 13.205 674 HB2 PRO 92 2HB PRO 92 3.638 -0.151 14.916 675 HB3 PRO 92 1HB PRO 92 3.066 -0.975 13.459 676 HG2 PRO 92 2HG PRO 92 3.095 -1.934 16.295 677 HG3 PRO 92 1HG PRO 92 1.809 -2.072 15.083 678 HD2 PRO 92 2HD PRO 92 3.505 -4.110 15.682 679 HD3 PRO 92 1HD PRO 92 2.786 -3.896 14.073 680 H SER 93 HN SER 93 5.541 0.720 14.597 681 HA SER 93 HA SER 93 6.966 0.337 17.094 682 HB2 SER 93 2HB SER 93 8.313 1.658 14.717 683 HB3 SER 93 1HB SER 93 9.008 1.417 16.321 684 HG SER 93 HG SER 93 8.269 -0.953 15.572 685 H ALA 94 HN ALA 94 7.868 2.753 17.665 686 HA ALA 94 HA ALA 94 5.564 4.301 18.061 687 HB1 ALA 94 1HB ALA 94 7.578 4.439 19.466 688 HB2 ALA 94 2HB ALA 94 7.035 6.023 18.913 689 HB3 ALA 94 3HB ALA 94 8.423 5.250 18.146 690 H THR 95 HN THR 95 8.247 4.783 15.774 691 HA THR 95 HA THR 95 7.283 7.123 14.575 692 HB THR 95 HB THR 95 8.868 5.020 13.108 693 HG1 THR 95 1HG THR 95 10.691 6.321 14.126 694 HG21 THR 95 3HG2 THR 95 8.909 8.043 13.048 695 HG22 THR 95 1HG2 THR 95 8.215 6.990 11.815 696 HG23 THR 95 2HG2 THR 95 9.955 6.985 12.101 697 H ASP 96 HN ASP 96 6.597 3.749 13.948 698 HA ASP 96 HA ASP 96 5.272 4.077 11.467 699 HB2 ASP 96 2HB ASP 96 6.179 1.914 12.630 700 HB3 ASP 96 1HB ASP 96 4.605 1.884 13.418 701 H LEU 97 HN LEU 97 4.211 3.974 14.824 702 HA LEU 97 HA LEU 97 1.434 4.249 14.338 703 HB2 LEU 97 2HB LEU 97 2.478 3.422 16.445 704 HB3 LEU 97 1HB LEU 97 3.053 5.042 16.768 705 HG LEU 97 HG LEU 97 1.000 4.244 18.034 706 HD11 LEU 97 1HD1 LEU 97 -0.087 6.420 17.963 707 HD12 LEU 97 2HD1 LEU 97 0.798 6.816 16.490 708 HD13 LEU 97 3HD1 LEU 97 1.669 6.573 18.003 709 HD21 LEU 97 3HD2 LEU 97 -0.306 4.755 15.369 710 HD22 LEU 97 1HD2 LEU 97 -1.155 4.511 16.895 711 HD23 LEU 97 2HD2 LEU 97 -0.195 3.206 16.202 712 H GLU 98 HN GLU 98 4.056 6.523 14.913 713 HA GLU 98 HA GLU 98 2.612 8.895 15.082 714 HB2 GLU 98 2HB GLU 98 5.378 8.321 14.043 715 HB3 GLU 98 1HB GLU 98 4.746 9.951 14.193 716 HG2 GLU 98 2HG GLU 98 4.412 9.578 16.600 717 HG3 GLU 98 1HG GLU 98 5.129 7.974 16.425 718 H GLU 99 HN GLU 99 3.384 6.985 12.257 719 HA GLU 99 HA GLU 99 2.489 9.130 10.487 720 HB2 GLU 99 2HB GLU 99 3.439 6.341 9.817 721 HB3 GLU 99 1HB GLU 99 3.097 7.618 8.659 722 HG2 GLU 99 2HG GLU 99 4.887 8.971 9.791 723 HG3 GLU 99 1HG GLU 99 5.312 7.511 10.682 724 H ALA 100 HN ALA 100 1.197 6.557 12.204 725 HA ALA 100 HA ALA 100 -0.906 5.928 10.308 726 HB1 ALA 100 1HB ALA 100 0.048 4.131 11.631 727 HB2 ALA 100 2HB ALA 100 -1.662 4.335 12.013 728 HB3 ALA 100 3HB ALA 100 -0.431 4.946 13.119 729 H THR 101 HN THR 101 -1.225 8.472 10.637 730 HA THR 101 HA THR 101 -3.226 8.899 12.741 731 HB THR 101 HB THR 101 -2.178 11.021 10.886 732 HG1 THR 101 1HG THR 101 -0.920 9.810 13.115 733 HG21 THR 101 3HG2 THR 101 -4.107 11.582 12.294 734 HG22 THR 101 1HG2 THR 101 -2.676 12.496 12.773 735 HG23 THR 101 2HG2 THR 101 -3.195 11.107 13.728 736 H PHE 102 HN PHE 102 -3.347 7.495 9.963 737 HA PHE 102 HA PHE 102 -5.620 8.990 8.843 738 HB2 PHE 102 2HB PHE 102 -3.824 6.961 7.492 739 HB3 PHE 102 1HB PHE 102 -5.152 7.828 6.727 740 HD1 PHE 102 1HD PHE 102 -4.970 10.243 6.299 741 HD2 PHE 102 2HD PHE 102 -1.713 7.988 7.850 742 HE1 PHE 102 1HE PHE 102 -3.423 12.054 5.679 743 HE2 PHE 102 2HE PHE 102 -0.161 9.793 7.232 744 HZ PHE 102 HZ PHE 102 -1.014 11.830 6.144 745 HA PRO 103 HA PRO 103 -7.630 5.284 10.702 746 HB2 PRO 103 2HB PRO 103 -9.972 7.056 10.672 747 HB3 PRO 103 1HB PRO 103 -9.245 6.182 12.022 748 HG2 PRO 103 2HG PRO 103 -9.066 8.852 11.808 749 HG3 PRO 103 1HG PRO 103 -7.752 7.876 12.490 750 HD2 PRO 103 2HD PRO 103 -8.007 9.062 9.748 751 HD3 PRO 103 1HD PRO 103 -6.589 8.988 10.816 752 H GLY 104 HN GLY 104 -8.867 3.779 9.668 753 HA2 GLY 104 2HA GLY 104 -10.521 3.060 8.111 754 HA3 GLY 104 1HA GLY 104 -10.326 4.580 7.243 755 H PHE 105 HN PHE 105 -7.346 4.231 7.561 756 HA PHE 105 HA PHE 105 -6.935 2.753 5.114 757 HB2 PHE 105 2HB PHE 105 -5.078 4.346 6.889 758 HB3 PHE 105 1HB PHE 105 -4.529 3.480 5.461 759 HD1 PHE 105 2HD PHE 105 -7.142 5.975 6.432 760 HD2 PHE 105 1HD PHE 105 -4.367 4.634 3.495 761 HE1 PHE 105 2HE PHE 105 -7.691 7.922 5.029 762 HE2 PHE 105 1HE PHE 105 -4.910 6.579 2.092 763 HZ PHE 105 HZ PHE 105 -6.570 8.224 2.855 764 H THR 106 HN THR 106 -5.849 0.856 4.886 765 HA THR 106 HA THR 106 -5.362 -0.665 7.336 766 HB THR 106 HB THR 106 -5.304 -1.643 4.474 767 HG1 THR 106 1HG THR 106 -7.380 -0.956 6.112 768 HG21 THR 106 3HG2 THR 106 -4.158 -3.105 6.090 769 HG22 THR 106 1HG2 THR 106 -5.637 -3.851 5.482 770 HG23 THR 106 2HG2 THR 106 -5.611 -3.128 7.090 771 H TYR 107 HN TYR 107 -3.343 -1.076 8.056 772 HA TYR 107 HA TYR 107 -1.125 -0.083 6.405 773 HB2 TYR 107 2HB TYR 107 -1.281 -0.539 9.393 774 HB3 TYR 107 1HB TYR 107 0.128 0.073 8.531 775 HD1 TYR 107 2HD TYR 107 -3.286 0.858 9.650 776 HD2 TYR 107 1HD TYR 107 0.214 2.347 7.751 777 HE1 TYR 107 2HE TYR 107 -4.140 3.148 9.888 778 HE2 TYR 107 1HE TYR 107 -0.636 4.644 7.975 779 HH TYR 107 HH TYR 107 -3.503 5.349 9.849 780 H VAL 108 HN VAL 108 0.096 -1.541 5.456 781 HA VAL 108 HA VAL 108 0.205 -4.255 6.577 782 HB VAL 108 HB VAL 108 1.049 -3.307 3.829 783 HG11 VAL 108 1HG1 VAL 108 1.181 -5.680 3.268 784 HG12 VAL 108 2HG1 VAL 108 0.773 -6.101 4.932 785 HG13 VAL 108 3HG1 VAL 108 2.289 -5.274 4.580 786 HG21 VAL 108 3HG2 VAL 108 -0.953 -4.461 3.025 787 HG22 VAL 108 1HG2 VAL 108 -1.360 -3.144 4.126 788 HG23 VAL 108 2HG2 VAL 108 -1.417 -4.814 4.689 789 H ILE 109 HN ILE 109 1.961 -4.926 7.570 790 HA ILE 109 HA ILE 109 4.464 -3.435 7.135 791 HB ILE 109 HB ILE 109 3.563 -4.912 9.618 792 HG12 ILE 109 2HG1 ILE 109 4.061 -1.966 9.120 793 HG13 ILE 109 1HG1 ILE 109 2.477 -2.723 9.256 794 HG21 ILE 109 1HG2 ILE 109 6.135 -3.432 9.071 795 HG22 ILE 109 2HG2 ILE 109 5.956 -5.171 9.302 796 HG23 ILE 109 3HG2 ILE 109 5.635 -4.069 10.639 797 HD11 ILE 109 3HD1 ILE 109 3.084 -1.599 11.311 798 HD12 ILE 109 1HD1 ILE 109 4.553 -2.570 11.425 799 HD13 ILE 109 2HD1 ILE 109 2.974 -3.343 11.562 800 H VAL 110 HN VAL 110 5.987 -4.517 6.121 801 HA VAL 110 HA VAL 110 5.778 -7.442 6.032 802 HB VAL 110 HB VAL 110 5.698 -6.387 3.841 803 HG11 VAL 110 1HG1 VAL 110 6.909 -4.338 4.351 804 HG12 VAL 110 2HG1 VAL 110 7.585 -5.145 2.934 805 HG13 VAL 110 3HG1 VAL 110 8.413 -5.251 4.489 806 HG21 VAL 110 3HG2 VAL 110 7.564 -7.578 2.747 807 HG22 VAL 110 1HG2 VAL 110 6.741 -8.569 3.951 808 HG23 VAL 110 2HG2 VAL 110 8.300 -7.837 4.329 809 H SER 111 HN SER 111 7.269 -8.700 6.864 810 HA SER 111 HA SER 111 9.449 -7.519 8.351 811 HB2 SER 111 2HB SER 111 8.022 -9.397 9.225 812 HB3 SER 111 1HB SER 111 8.724 -10.439 7.993 813 HG SER 111 HG SER 111 9.937 -10.769 9.783 814 H VAL 112 HN VAL 112 11.175 -6.933 7.175 815 HA VAL 112 HA VAL 112 12.172 -8.830 5.146 816 HB VAL 112 HB VAL 112 12.540 -5.824 5.160 817 HG11 VAL 112 1HG1 VAL 112 13.511 -6.164 2.926 818 HG12 VAL 112 2HG1 VAL 112 13.358 -7.908 3.138 819 HG13 VAL 112 3HG1 VAL 112 14.439 -6.985 4.182 820 HG21 VAL 112 3HG2 VAL 112 10.244 -6.438 4.603 821 HG22 VAL 112 1HG2 VAL 112 10.836 -7.551 3.370 822 HG23 VAL 112 2HG2 VAL 112 11.094 -5.817 3.187 823 H ARG 113 HN ARG 113 13.999 -9.792 5.758 824 HA ARG 113 HA ARG 113 15.700 -8.348 7.677 825 HB2 ARG 113 2HB ARG 113 15.215 -11.310 7.363 826 HB3 ARG 113 1HB ARG 113 16.490 -10.638 8.369 827 HG2 ARG 113 2HG ARG 113 14.822 -9.476 9.719 828 HG3 ARG 113 1HG ARG 113 13.540 -10.134 8.702 829 HD2 ARG 113 2HD ARG 113 13.773 -11.402 10.775 830 HD3 ARG 113 1HD ARG 113 14.162 -12.392 9.370 831 HE ARG 113 HE ARG 113 16.542 -11.276 10.324 832 HH11 ARG 113 1HH1 ARG 113 14.061 -13.457 11.485 833 HH12 ARG 113 2HH1 ARG 113 15.177 -14.474 12.351 834 HH21 ARG 113 1HH2 ARG 113 18.012 -12.582 11.507 835 HH22 ARG 113 2HH2 ARG 113 17.413 -13.953 12.398 836 H ASP 114 HN ASP 114 16.956 -7.330 6.222 837 HA ASP 114 HA ASP 114 18.633 -6.981 4.730 838 HB2 ASP 114 2HB ASP 114 19.854 -7.966 6.609 839 HB3 ASP 114 1HB ASP 114 19.588 -9.568 5.942 840 H GLY 115 HN GLY 115 16.820 -7.557 3.112 841 HA2 GLY 115 2HA GLY 115 16.776 -8.138 0.844 842 HA3 GLY 115 1HA GLY 115 18.109 -9.246 1.128 843 H ALA 116 HN ALA 116 16.359 -10.230 3.523 844 HA ALA 116 HA ALA 116 14.871 -12.142 1.876 845 HB1 ALA 116 1HB ALA 116 14.973 -13.656 3.770 846 HB2 ALA 116 2HB ALA 116 15.761 -12.410 4.739 847 HB3 ALA 116 3HB ALA 116 16.589 -13.094 3.340 848 HA PRO 117 HA PRO 117 11.250 -10.081 3.630 849 HB2 PRO 117 2HB PRO 117 9.784 -11.287 1.442 850 HB3 PRO 117 1HB PRO 117 10.113 -9.579 1.738 851 HG2 PRO 117 2HG PRO 117 11.198 -10.978 -0.333 852 HG3 PRO 117 1HG PRO 117 11.974 -9.571 0.414 853 HD2 PRO 117 2HD PRO 117 12.527 -12.486 0.845 854 HD3 PRO 117 1HD PRO 117 13.668 -11.130 0.702 855 H GLU 118 HN GLU 118 10.781 -11.231 5.383 856 HA GLU 118 HA GLU 118 10.488 -14.060 5.432 857 HB2 GLU 118 2HB GLU 118 11.346 -12.854 7.346 858 HB3 GLU 118 1HB GLU 118 9.869 -11.915 7.469 859 HG2 GLU 118 2HG GLU 118 8.630 -13.940 8.034 860 HG3 GLU 118 1HG GLU 118 10.121 -14.876 7.923 861 H ALA 119 HN ALA 119 8.113 -11.626 6.486 862 HA ALA 119 HA ALA 119 5.994 -13.054 5.101 863 HB1 ALA 119 1HB ALA 119 5.979 -12.732 8.100 864 HB2 ALA 119 2HB ALA 119 6.193 -14.249 7.228 865 HB3 ALA 119 3HB ALA 119 4.662 -13.379 7.121 866 H LEU 120 HN LEU 120 3.971 -11.907 5.123 867 HA LEU 120 HA LEU 120 4.293 -9.033 5.661 868 HB2 LEU 120 2HB LEU 120 2.411 -10.431 3.750 869 HB3 LEU 120 1HB LEU 120 2.423 -8.708 4.062 870 HG LEU 120 HG LEU 120 4.890 -8.817 3.253 871 HD11 LEU 120 1HD1 LEU 120 5.095 -11.236 3.197 872 HD12 LEU 120 2HD1 LEU 120 5.281 -10.568 1.576 873 HD13 LEU 120 3HD1 LEU 120 3.767 -11.339 2.042 874 HD21 LEU 120 3HD2 LEU 120 3.106 -7.644 2.100 875 HD22 LEU 120 1HD2 LEU 120 2.563 -9.157 1.371 876 HD23 LEU 120 2HD2 LEU 120 4.138 -8.488 0.945 877 H THR 121 HN THR 121 2.976 -8.083 7.079 878 HA THR 121 HA THR 121 0.637 -9.594 8.039 879 HB THR 121 HB THR 121 1.108 -8.496 10.299 880 HG1 THR 121 1HG THR 121 3.113 -7.454 8.869 881 HG21 THR 121 3HG2 THR 121 3.102 -10.530 9.297 882 HG22 THR 121 1HG2 THR 121 1.477 -10.892 9.871 883 HG23 THR 121 2HG2 THR 121 2.677 -10.233 10.983 884 H ALA 122 HN ALA 122 -1.196 -8.388 8.375 885 HA ALA 122 HA ALA 122 -0.974 -5.552 7.650 886 HB1 ALA 122 1HB ALA 122 -2.332 -6.848 6.081 887 HB2 ALA 122 2HB ALA 122 -3.322 -5.679 6.953 888 HB3 ALA 122 3HB ALA 122 -3.365 -7.382 7.407 889 H TRP 123 HN TRP 123 -1.984 -4.029 8.847 890 HA TRP 123 HA TRP 123 -3.070 -4.872 11.437 891 HB2 TRP 123 2HB TRP 123 -1.045 -2.670 10.977 892 HB3 TRP 123 1HB TRP 123 -1.782 -3.080 12.522 893 HD1 TRP 123 1HD TRP 123 0.848 -4.352 10.025 894 HE1 TRP 123 1HE TRP 123 2.340 -6.085 11.238 895 HE3 TRP 123 3HE TRP 123 -1.812 -4.821 14.359 896 HZ2 TRP 123 2HZ TRP 123 2.380 -7.454 13.707 897 HZ3 TRP 123 3HZ TRP 123 -1.015 -6.373 16.083 898 HH2 TRP 123 2HH TRP 123 1.043 -7.665 15.767 899 H ALA 124 HN ALA 124 -4.712 -3.640 12.202 900 HA ALA 124 HA ALA 124 -5.700 -1.519 10.425 901 HB1 ALA 124 1HB ALA 124 -7.250 -3.369 10.780 902 HB2 ALA 124 2HB ALA 124 -7.876 -1.884 11.498 903 HB3 ALA 124 3HB ALA 124 -7.157 -3.124 12.525 904 H LEU 125 HN LEU 125 -6.042 0.518 11.204 905 HA LEU 125 HA LEU 125 -4.748 1.201 13.687 906 HB2 LEU 125 2HB LEU 125 -4.496 2.645 11.734 907 HB3 LEU 125 1HB LEU 125 -6.228 2.897 11.672 908 HG LEU 125 HG LEU 125 -6.092 4.017 13.899 909 HD11 LEU 125 1HD1 LEU 125 -4.043 2.988 14.701 910 HD12 LEU 125 2HD1 LEU 125 -3.904 4.746 14.705 911 HD13 LEU 125 3HD1 LEU 125 -3.121 3.801 13.438 912 HD21 LEU 125 3HD2 LEU 125 -6.167 5.323 11.863 913 HD22 LEU 125 1HD2 LEU 125 -4.417 5.194 11.688 914 HD23 LEU 125 2HD2 LEU 125 -5.105 6.090 13.043 915 H ALA 126 HN ALA 126 -5.703 1.531 15.595 916 HA ALA 126 HA ALA 126 -8.411 0.951 16.071 917 HB1 ALA 126 1HB ALA 126 -6.527 2.579 17.780 918 HB2 ALA 126 2HB ALA 126 -6.706 0.824 17.817 919 HB3 ALA 126 3HB ALA 126 -8.050 1.856 18.302 920 HA PRO 127 HA PRO 127 -10.557 4.502 14.579 921 HB2 PRO 127 2HB PRO 127 -12.479 4.622 16.619 922 HB3 PRO 127 1HB PRO 127 -12.608 3.723 15.106 923 HG2 PRO 127 2HG PRO 127 -11.849 2.771 17.819 924 HG3 PRO 127 1HG PRO 127 -12.736 1.929 16.537 925 HD2 PRO 127 2HD PRO 127 -10.175 1.356 17.090 926 HD3 PRO 127 1HD PRO 127 -10.800 1.314 15.429 927 H ASP 128 HN ASP 128 -9.685 4.394 18.017 928 HA ASP 128 HA ASP 128 -9.961 7.273 18.291 929 HB2 ASP 128 2HB ASP 128 -10.462 5.513 20.106 930 HB3 ASP 128 1HB ASP 128 -8.716 5.428 20.323 931 H ARG 129 HN ARG 129 -7.797 5.533 16.740 932 HA ARG 129 HA ARG 129 -5.657 5.782 16.038 933 HB2 ARG 129 2HB ARG 129 -5.818 8.519 17.321 934 HB3 ARG 129 1HB ARG 129 -4.611 7.996 16.159 935 HG2 ARG 129 2HG ARG 129 -5.989 9.119 14.753 936 HG3 ARG 129 1HG ARG 129 -6.779 7.542 14.688 937 HD2 ARG 129 2HD ARG 129 -8.320 8.285 16.477 938 HD3 ARG 129 1HD ARG 129 -7.563 9.875 16.434 939 HE ARG 129 HE ARG 129 -8.572 9.037 13.882 940 HH11 ARG 129 1HH1 ARG 129 -9.361 10.574 16.914 941 HH12 ARG 129 2HH1 ARG 129 -10.791 11.357 16.307 942 HH21 ARG 129 1HH2 ARG 129 -10.437 10.104 13.041 943 HH22 ARG 129 2HH2 ARG 129 -11.364 11.135 14.090 944 H SER 130 HN SER 130 -6.236 4.688 18.671 945 HA SER 130 HA SER 130 -4.208 5.651 20.466 946 HB2 SER 130 2HB SER 130 -6.395 4.899 21.306 947 HB3 SER 130 1HB SER 130 -6.069 3.275 20.706 948 HG SER 130 HG SER 130 -4.325 4.562 22.530 949 H GLU 131 HN GLU 131 -4.735 2.672 18.575 950 HA GLU 131 HA GLU 131 -1.915 2.023 18.797 951 HB2 GLU 131 2HB GLU 131 -2.309 -0.184 19.780 952 HB3 GLU 131 1HB GLU 131 -2.869 1.087 20.861 953 HG2 GLU 131 2HG GLU 131 -5.165 0.710 20.116 954 HG3 GLU 131 1HG GLU 131 -4.606 -0.561 19.032 955 H PHE 132 HN PHE 132 -1.694 -0.384 17.862 956 HA PHE 132 HA PHE 132 -3.207 -0.469 15.341 957 HB2 PHE 132 2HB PHE 132 -0.531 -1.608 16.143 958 HB3 PHE 132 1HB PHE 132 -1.378 -2.154 14.704 959 HD1 PHE 132 1HD PHE 132 -1.827 -0.532 12.873 960 HD2 PHE 132 2HD PHE 132 0.711 0.371 16.161 961 HE1 PHE 132 1HE PHE 132 -0.794 1.280 11.569 962 HE2 PHE 132 2HE PHE 132 1.745 2.191 14.870 963 HZ PHE 132 HZ PHE 132 0.992 2.647 12.568 964 H HIS 133 HN HIS 133 -4.232 -2.360 14.714 965 HA HIS 133 HA HIS 133 -4.263 -4.538 16.702 966 HB2 HIS 133 2HB HIS 133 -6.523 -3.215 15.275 967 HB3 HIS 133 1HB HIS 133 -6.638 -4.939 15.582 968 HD1 HIS 133 1HD HIS 133 -7.439 -5.626 17.813 969 HD2 HIS 133 2HD HIS 133 -6.225 -1.649 17.736 970 HE1 HIS 133 1HE HIS 133 -8.046 -4.687 20.070 971 HE2 HIS 133 2HE HIS 133 -7.211 -2.311 20.043 972 H ARG 134 HN ARG 134 -4.411 -6.607 15.920 973 HA ARG 134 HA ARG 134 -2.999 -7.019 13.487 974 HB2 ARG 134 2HB ARG 134 -2.700 -8.496 15.403 975 HB3 ARG 134 1HB ARG 134 -4.383 -8.996 15.304 976 HG2 ARG 134 2HG ARG 134 -3.140 -10.726 14.320 977 HG3 ARG 134 1HG ARG 134 -3.856 -9.833 12.988 978 HD2 ARG 134 2HD ARG 134 -1.768 -8.657 12.613 979 HD3 ARG 134 1HD ARG 134 -1.037 -9.493 13.984 980 HE ARG 134 HE ARG 134 -1.962 -10.870 11.538 981 HH11 ARG 134 1HH1 ARG 134 0.307 -10.477 14.167 982 HH12 ARG 134 2HH1 ARG 134 1.324 -11.795 13.667 983 HH21 ARG 134 1HH2 ARG 134 -0.655 -12.606 10.869 984 HH22 ARG 134 2HH2 ARG 134 0.768 -13.014 11.784 985 H GLU 135 HN GLU 135 -3.689 -7.577 11.525 986 HA GLU 135 HA GLU 135 -6.573 -8.020 11.165 987 HB2 GLU 135 2HB GLU 135 -5.893 -5.818 10.295 988 HB3 GLU 135 1HB GLU 135 -4.665 -6.587 9.304 989 HG2 GLU 135 2HG GLU 135 -6.622 -5.966 7.997 990 HG3 GLU 135 1HG GLU 135 -6.364 -7.708 8.000 991 H ASP 136 HN ASP 136 -7.155 -9.405 9.430 992 HA ASP 136 HA ASP 136 -5.107 -11.455 8.903 993 HB2 ASP 136 2HB ASP 136 -7.078 -12.200 10.192 994 HB3 ASP 136 1HB ASP 136 -8.128 -11.667 8.887 995 H ILE 137 HN ILE 137 -4.502 -11.828 6.849 996 HA ILE 137 HA ILE 137 -5.524 -10.021 4.827 997 HB ILE 137 HB ILE 137 -3.276 -12.044 4.704 998 HG12 ILE 137 2HG1 ILE 137 -1.934 -9.843 4.453 999 HG13 ILE 137 1HG1 ILE 137 -3.359 -9.064 5.123 1000 HG21 ILE 137 1HG2 ILE 137 -2.663 -10.983 2.581 1001 HG22 ILE 137 2HG2 ILE 137 -4.126 -10.003 2.656 1002 HG23 ILE 137 3HG2 ILE 137 -4.244 -11.757 2.504 1003 HD11 ILE 137 3HD1 ILE 137 -1.692 -11.187 6.444 1004 HD12 ILE 137 1HD1 ILE 137 -3.163 -10.486 7.117 1005 HD13 ILE 137 2HD1 ILE 137 -1.744 -9.473 6.856 1006 H VAL 138 HN VAL 138 -7.199 -10.535 3.609 1007 HA VAL 138 HA VAL 138 -7.742 -13.380 3.089 1008 HB VAL 138 HB VAL 138 -9.845 -11.405 2.485 1009 HG11 VAL 138 1HG1 VAL 138 -10.217 -13.746 2.102 1010 HG12 VAL 138 2HG1 VAL 138 -11.288 -13.173 3.379 1011 HG13 VAL 138 3HG1 VAL 138 -9.853 -14.112 3.788 1012 HG21 VAL 138 3HG2 VAL 138 -9.210 -12.137 5.341 1013 HG22 VAL 138 1HG2 VAL 138 -10.642 -11.268 4.785 1014 HG23 VAL 138 2HG2 VAL 138 -9.047 -10.534 4.619 1015 H ARG 139 HN ARG 139 -8.479 -13.965 1.038 1016 HA ARG 139 HA ARG 139 -7.424 -12.347 -1.138 1017 HB2 ARG 139 2HB ARG 139 -8.421 -15.176 -0.893 1018 HB3 ARG 139 1HB ARG 139 -8.187 -14.433 -2.465 1019 HG2 ARG 139 2HG ARG 139 -5.837 -14.113 -2.004 1020 HG3 ARG 139 1HG ARG 139 -6.050 -14.746 -0.370 1021 HD2 ARG 139 2HD ARG 139 -5.116 -16.384 -2.022 1022 HD3 ARG 139 1HD ARG 139 -6.574 -16.915 -1.189 1023 HE ARG 139 HE ARG 139 -7.599 -15.858 -3.426 1024 HH11 ARG 139 1HH1 ARG 139 -4.909 -18.050 -2.975 1025 HH12 ARG 139 2HH1 ARG 139 -5.172 -18.884 -4.479 1026 HH21 ARG 139 1HH2 ARG 139 -7.968 -16.945 -5.369 1027 HH22 ARG 139 2HH2 ARG 139 -6.937 -18.259 -5.845 1028 HA PRO 140 HA PRO 140 -11.408 -10.941 -2.654 1029 HB2 PRO 140 2HB PRO 140 -10.574 -12.028 -5.293 1030 HB3 PRO 140 1HB PRO 140 -11.112 -10.400 -4.868 1031 HG2 PRO 140 2HG PRO 140 -8.543 -10.905 -5.379 1032 HG3 PRO 140 1HG PRO 140 -9.022 -9.758 -4.114 1033 HD2 PRO 140 2HD PRO 140 -8.030 -12.565 -3.852 1034 HD3 PRO 140 1HD PRO 140 -7.708 -11.152 -2.825 1035 H ASP 141 HN ASP 141 -13.295 -11.960 -2.524 1036 HA ASP 141 HA ASP 141 -13.633 -14.635 -2.107 1037 HB2 ASP 141 2HB ASP 141 -15.635 -12.670 -3.243 1038 HB3 ASP 141 1HB ASP 141 -16.045 -14.259 -2.601 1039 HA PRO 142 HA PRO 142 -12.541 -16.380 -5.855 1040 HB2 PRO 142 2HB PRO 142 -13.226 -18.952 -5.430 1041 HB3 PRO 142 1HB PRO 142 -11.932 -18.150 -4.530 1042 HG2 PRO 142 2HG PRO 142 -14.767 -18.668 -3.719 1043 HG3 PRO 142 1HG PRO 142 -13.280 -18.860 -2.774 1044 HD2 PRO 142 2HD PRO 142 -14.922 -16.696 -2.552 1045 HD3 PRO 142 1HD PRO 142 -13.174 -16.627 -2.250 1046 H GLU 143 HN GLU 143 -15.300 -15.282 -5.845 1047 HA GLU 143 HA GLU 143 -16.318 -16.886 -8.085 1048 HB2 GLU 143 2HB GLU 143 -17.733 -15.049 -6.172 1049 HB3 GLU 143 1HB GLU 143 -18.469 -15.636 -7.659 1050 HG2 GLU 143 2HG GLU 143 -17.398 -17.396 -5.479 1051 HG3 GLU 143 1HG GLU 143 -19.079 -16.930 -5.662 1052 H ALA 144 HN ALA 144 -16.186 -13.540 -6.904 1053 HA ALA 144 HA ALA 144 -16.206 -11.532 -7.949 1054 HB1 ALA 144 1HB ALA 144 -13.910 -12.237 -8.481 1055 HB2 ALA 144 2HB ALA 144 -14.601 -11.201 -9.730 1056 HB3 ALA 144 3HB ALA 144 -14.492 -12.942 -9.993 1057 HA PRO 145 HA PRO 145 -19.748 -13.010 -10.550 1058 HB2 PRO 145 2HB PRO 145 -20.861 -10.500 -9.418 1059 HB3 PRO 145 1HB PRO 145 -21.592 -12.103 -9.526 1060 HG2 PRO 145 2HG PRO 145 -20.706 -11.169 -7.199 1061 HG3 PRO 145 1HG PRO 145 -20.489 -12.875 -7.635 1062 HD2 PRO 145 2HD PRO 145 -18.505 -10.636 -7.684 1063 HD3 PRO 145 1HD PRO 145 -18.284 -12.329 -7.194 1064 H LEU 146 HN LEU 146 -20.366 -12.327 -12.535 1065 HA LEU 146 HA LEU 146 -18.830 -10.238 -13.756 1066 HB2 LEU 146 2HB LEU 146 -21.127 -11.845 -14.877 1067 HB3 LEU 146 1HB LEU 146 -20.010 -10.865 -15.797 1068 HG LEU 146 HG LEU 146 -19.296 -13.355 -14.264 1069 HD11 LEU 146 1HD1 LEU 146 -18.922 -14.336 -16.465 1070 HD12 LEU 146 2HD1 LEU 146 -19.469 -12.842 -17.227 1071 HD13 LEU 146 3HD1 LEU 146 -20.595 -13.810 -16.276 1072 HD21 LEU 146 3HD2 LEU 146 -17.099 -13.125 -15.332 1073 HD22 LEU 146 1HD2 LEU 146 -17.456 -11.765 -14.267 1074 HD23 LEU 146 2HD2 LEU 146 -17.601 -11.578 -16.015 1075 H GLU 147 HN GLU 147 -19.888 -8.523 -15.084 1076 HA GLU 147 HA GLU 147 -21.677 -7.045 -13.410 1077 HB2 GLU 147 2HB GLU 147 -19.974 -6.533 -15.710 1078 HB3 GLU 147 1HB GLU 147 -21.519 -5.712 -15.837 1079 HG2 GLU 147 2HG GLU 147 -19.610 -5.511 -13.521 1080 HG3 GLU 147 1HG GLU 147 -19.809 -4.311 -14.794 1081 H HIS 148 HN HIS 148 -23.559 -5.898 -14.466 1082 HA HIS 148 HA HIS 148 -25.504 -7.825 -15.140 1083 HB2 HIS 148 2HB HIS 148 -27.037 -5.967 -15.406 1084 HB3 HIS 148 1HB HIS 148 -26.017 -5.677 -14.006 1085 HD1 HIS 148 1HD HIS 148 -23.986 -3.903 -14.439 1086 HD2 HIS 148 2HD HIS 148 -27.079 -3.954 -17.228 1087 HE1 HIS 148 1HE HIS 148 -23.818 -1.724 -15.686 1088 HE2 HIS 148 2HE HIS 148 -25.786 -1.715 -17.267 1089 H HIS 149 HN HIS 149 -26.642 -8.181 -17.072 1090 HA HIS 149 HA HIS 149 -24.943 -8.339 -19.325 1091 HB2 HIS 149 2HB HIS 149 -26.827 -9.922 -18.753 1092 HB3 HIS 149 1HB HIS 149 -27.944 -8.688 -19.325 1093 HD1 HIS 149 1HD HIS 149 -28.376 -8.587 -21.793 1094 HD2 HIS 149 2HD HIS 149 -25.100 -10.966 -20.832 1095 HE1 HIS 149 1HE HIS 149 -27.708 -9.728 -23.936 1096 HE2 HIS 149 2HE HIS 149 -25.840 -11.298 -23.288 1097 H HIS 150 HN HIS 150 -24.475 -6.858 -20.770 1098 HA HIS 150 HA HIS 150 -26.423 -4.716 -21.321 1099 HB2 HIS 150 2HB HIS 150 -24.531 -3.782 -20.125 1100 HB3 HIS 150 1HB HIS 150 -23.398 -4.577 -21.207 1101 HD1 HIS 150 1HD HIS 150 -26.181 -1.971 -21.493 1102 HD2 HIS 150 2HD HIS 150 -22.484 -2.938 -23.141 1103 HE1 HIS 150 1HE HIS 150 -25.627 -0.097 -23.071 1104 HE2 HIS 150 2HE HIS 150 -23.297 -0.592 -23.881 1105 H HIS 151 HN HIS 151 -27.074 -4.572 -23.386 1106 HA HIS 151 HA HIS 151 -25.494 -6.018 -25.414 1107 HB2 HIS 151 2HB HIS 151 -28.158 -6.388 -24.704 1108 HB3 HIS 151 1HB HIS 151 -28.243 -5.430 -26.179 1109 HD1 HIS 151 1HD HIS 151 -28.953 -8.566 -25.687 1110 HD2 HIS 151 2HD HIS 151 -25.698 -6.952 -27.718 1111 HE1 HIS 151 1HE HIS 151 -28.156 -10.380 -27.243 1112 HE2 HIS 151 2HE HIS 151 -26.054 -9.453 -28.293 1113 H HIS 152 HN HIS 152 -24.221 -4.407 -26.194 1114 HA HIS 152 HA HIS 152 -25.282 -2.733 -28.190 1115 HB2 HIS 152 2HB HIS 152 -25.962 -1.422 -26.116 1116 HB3 HIS 152 1HB HIS 152 -24.248 -1.170 -25.813 1117 HD1 HIS 152 1HD HIS 152 -23.019 0.559 -27.295 1118 HD2 HIS 152 2HD HIS 152 -27.022 -0.000 -28.300 1119 HE1 HIS 152 1HE HIS 152 -23.593 2.425 -28.885 1120 HE2 HIS 152 2HE HIS 152 -26.057 2.148 -29.372 1121 H HIS 153 HN HIS 153 -23.676 -2.385 -29.624 1122 HA HIS 153 HA HIS 153 -20.922 -2.469 -28.609 1123 HB2 HIS 153 2HB HIS 153 -20.257 -3.607 -30.755 1124 HB3 HIS 153 1HB HIS 153 -21.213 -4.591 -29.658 1125 HD1 HIS 153 1HD HIS 153 -23.410 -5.499 -30.519 1126 HD2 HIS 153 2HD HIS 153 -21.629 -2.801 -33.130 1127 HE1 HIS 153 1HE HIS 153 -24.721 -5.659 -32.651 1128 HE2 HIS 153 2HE HIS 153 -23.778 -3.842 -34.124 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -10.270 -5.849 4.900 2 H2 MET 1 H2 MET 1 -9.118 -5.051 5.849 3 H3 MET 1 H3 MET 1 -9.116 -6.738 5.769 4 HA MET 1 HA MET 1 -8.650 -4.966 3.449 5 HB2 MET 1 2HB MET 1 -6.834 -4.683 5.060 6 HB3 MET 1 1HB MET 1 -6.639 -6.428 5.173 7 HG2 MET 1 2HG MET 1 -6.047 -6.475 2.771 8 HG3 MET 1 1HG MET 1 -6.137 -4.716 2.751 9 HE1 MET 1 2HE MET 1 -3.607 -6.474 1.830 10 HE2 MET 1 3HE MET 1 -2.288 -5.518 2.501 11 HE3 MET 1 1HE MET 1 -3.655 -4.713 1.727 12 H LYS 2 HN LYS 2 -9.402 -6.072 1.779 13 HA LYS 2 HA LYS 2 -8.799 -8.967 1.607 14 HB2 LYS 2 2HB LYS 2 -11.044 -7.291 0.505 15 HB3 LYS 2 1HB LYS 2 -10.597 -8.797 -0.281 16 HG2 LYS 2 2HG LYS 2 -12.429 -9.200 1.203 17 HG3 LYS 2 1HG LYS 2 -10.992 -9.989 1.839 18 HD2 LYS 2 2HD LYS 2 -10.677 -8.149 3.419 19 HD3 LYS 2 1HD LYS 2 -12.115 -7.350 2.779 20 HE2 LYS 2 2HE LYS 2 -13.525 -9.111 3.555 21 HE3 LYS 2 1HE LYS 2 -12.138 -10.114 3.973 22 HZ1 LYS 2 3HZ LYS 2 -11.550 -8.576 5.708 23 HZ2 LYS 2 1HZ LYS 2 -13.165 -9.054 5.910 24 HZ3 LYS 2 2HZ LYS 2 -12.804 -7.519 5.272 25 H THR 3 HN THR 3 -7.641 -9.685 -0.180 26 HA THR 3 HA THR 3 -7.091 -7.931 -2.392 27 HB THR 3 HB THR 3 -5.563 -7.019 -0.663 28 HG1 THR 3 1HG THR 3 -4.910 -6.823 -2.816 29 HG21 THR 3 3HG2 THR 3 -3.603 -8.331 0.019 30 HG22 THR 3 1HG2 THR 3 -4.273 -9.743 -0.797 31 HG23 THR 3 2HG2 THR 3 -5.107 -9.049 0.594 32 H THR 4 HN THR 4 -5.246 -8.960 -3.782 33 HA THR 4 HA THR 4 -5.849 -11.829 -3.938 34 HB THR 4 HB THR 4 -5.075 -11.499 -6.368 35 HG1 THR 4 1HG THR 4 -4.376 -9.545 -6.781 36 HG21 THR 4 3HG2 THR 4 -7.415 -11.847 -5.729 37 HG22 THR 4 1HG2 THR 4 -7.280 -10.702 -7.064 38 HG23 THR 4 2HG2 THR 4 -7.591 -10.118 -5.429 39 HA PRO 5 HA PRO 5 -1.724 -13.084 -3.121 40 HB2 PRO 5 2HB PRO 5 -1.369 -14.979 -5.108 41 HB3 PRO 5 1HB PRO 5 -2.191 -15.256 -3.572 42 HG2 PRO 5 2HG PRO 5 -3.352 -14.655 -6.254 43 HG3 PRO 5 1HG PRO 5 -3.921 -15.783 -5.011 44 HD2 PRO 5 2HD PRO 5 -5.098 -13.409 -5.375 45 HD3 PRO 5 1HD PRO 5 -4.895 -14.098 -3.748 46 H ASP 6 HN ASP 6 -2.461 -12.319 -6.481 47 HA ASP 6 HA ASP 6 0.137 -12.124 -7.458 48 HB2 ASP 6 2HB ASP 6 -1.032 -10.414 -9.055 49 HB3 ASP 6 1HB ASP 6 -1.459 -12.115 -9.123 50 H ILE 7 HN ILE 7 -1.897 -9.717 -5.845 51 HA ILE 7 HA ILE 7 -0.040 -7.577 -6.055 52 HB ILE 7 HB ILE 7 -2.210 -8.007 -3.984 53 HG12 ILE 7 2HG1 ILE 7 -3.104 -8.014 -6.267 54 HG13 ILE 7 1HG1 ILE 7 -3.579 -6.545 -5.416 55 HG21 ILE 7 1HG2 ILE 7 -0.780 -5.485 -4.805 56 HG22 ILE 7 2HG2 ILE 7 -0.558 -6.351 -3.286 57 HG23 ILE 7 3HG2 ILE 7 -2.108 -5.589 -3.648 58 HD11 ILE 7 3HD1 ILE 7 -1.366 -6.793 -7.447 59 HD12 ILE 7 1HD1 ILE 7 -1.805 -5.322 -6.577 60 HD13 ILE 7 2HD1 ILE 7 -2.949 -6.055 -7.699 61 H LEU 8 HN LEU 8 -0.660 -10.051 -3.610 62 HA LEU 8 HA LEU 8 1.045 -9.192 -1.586 63 HB2 LEU 8 2HB LEU 8 0.491 -12.040 -2.411 64 HB3 LEU 8 1HB LEU 8 1.105 -11.522 -0.854 65 HG LEU 8 HG LEU 8 -1.617 -10.844 -1.956 66 HD11 LEU 8 1HD1 LEU 8 -2.485 -12.445 -0.418 67 HD12 LEU 8 2HD1 LEU 8 -0.885 -12.743 0.260 68 HD13 LEU 8 3HD1 LEU 8 -1.251 -13.245 -1.391 69 HD21 LEU 8 3HD2 LEU 8 -0.383 -10.360 0.754 70 HD22 LEU 8 1HD2 LEU 8 -2.059 -10.030 0.310 71 HD23 LEU 8 2HD2 LEU 8 -0.750 -9.131 -0.457 72 H ASP 9 HN ASP 9 1.712 -11.291 -4.359 73 HA ASP 9 HA ASP 9 4.397 -11.837 -3.653 74 HB2 ASP 9 2HB ASP 9 2.914 -13.111 -5.298 75 HB3 ASP 9 1HB ASP 9 3.325 -11.862 -6.465 76 H GLN 10 HN GLN 10 2.887 -9.376 -5.675 77 HA GLN 10 HA GLN 10 5.234 -8.189 -6.637 78 HB2 GLN 10 2HB GLN 10 2.513 -7.028 -6.066 79 HB3 GLN 10 1HB GLN 10 3.803 -6.103 -6.817 80 HG2 GLN 10 2HG GLN 10 3.899 -7.825 -8.611 81 HG3 GLN 10 1HG GLN 10 2.477 -8.577 -7.891 82 HE21 GLN 10 1HE2 GLN 10 0.494 -7.569 -8.059 83 HE22 GLN 10 2HE2 GLN 10 0.206 -6.250 -9.144 84 H ILE 11 HN ILE 11 3.529 -7.789 -3.577 85 HA ILE 11 HA ILE 11 5.014 -5.572 -2.637 86 HB ILE 11 HB ILE 11 3.620 -7.737 -1.051 87 HG12 ILE 11 2HG1 ILE 11 2.683 -4.971 -1.847 88 HG13 ILE 11 1HG1 ILE 11 2.143 -6.473 -2.593 89 HG21 ILE 11 1HG2 ILE 11 5.248 -6.576 0.326 90 HG22 ILE 11 2HG2 ILE 11 3.615 -6.102 0.789 91 HG23 ILE 11 3HG2 ILE 11 4.602 -5.015 -0.187 92 HD11 ILE 11 3HD1 ILE 11 1.716 -5.653 0.273 93 HD12 ILE 11 1HD1 ILE 11 1.198 -7.179 -0.446 94 HD13 ILE 11 2HD1 ILE 11 0.505 -5.658 -1.009 95 H ARG 12 HN ARG 12 5.414 -9.075 -2.067 96 HA ARG 12 HA ARG 12 7.671 -8.796 -0.398 97 HB2 ARG 12 2HB ARG 12 8.053 -11.219 -0.832 98 HB3 ARG 12 1HB ARG 12 6.412 -10.846 -0.326 99 HG2 ARG 12 2HG ARG 12 5.637 -11.027 -2.610 100 HG3 ARG 12 1HG ARG 12 7.284 -11.309 -3.168 101 HD2 ARG 12 2HD ARG 12 5.808 -13.084 -1.233 102 HD3 ARG 12 1HD ARG 12 5.915 -13.370 -2.971 103 HE ARG 12 HE ARG 12 8.199 -13.412 -1.100 104 HH11 ARG 12 1HH1 ARG 12 6.693 -14.360 -4.137 105 HH12 ARG 12 2HH1 ARG 12 7.957 -15.485 -4.540 106 HH21 ARG 12 1HH2 ARG 12 9.837 -14.883 -1.632 107 HH22 ARG 12 2HH2 ARG 12 9.736 -15.801 -3.107 108 H VAL 13 HN VAL 13 7.365 -9.201 -3.902 109 HA VAL 13 HA VAL 13 10.151 -9.511 -4.369 110 HB VAL 13 HB VAL 13 7.936 -8.620 -6.227 111 HG11 VAL 13 1HG1 VAL 13 10.778 -9.377 -6.904 112 HG12 VAL 13 2HG1 VAL 13 10.089 -7.756 -7.004 113 HG13 VAL 13 3HG1 VAL 13 9.492 -9.037 -8.060 114 HG21 VAL 13 3HG2 VAL 13 8.112 -10.877 -7.125 115 HG22 VAL 13 1HG2 VAL 13 7.742 -10.917 -5.404 116 HG23 VAL 13 2HG2 VAL 13 9.381 -11.256 -5.962 117 H HIS 14 HN HIS 14 7.964 -6.710 -4.480 118 HA HIS 14 HA HIS 14 9.935 -4.871 -5.332 119 HB2 HIS 14 2HB HIS 14 7.454 -4.486 -5.454 120 HB3 HIS 14 1HB HIS 14 7.463 -4.227 -3.712 121 HD1 HIS 14 1HD HIS 14 6.945 -1.756 -3.609 122 HD2 HIS 14 2HD HIS 14 10.046 -2.649 -6.233 123 HE1 HIS 14 1HE HIS 14 7.891 0.462 -4.326 124 HE2 HIS 14 2HE HIS 14 9.809 -0.105 -5.867 125 H GLY 15 HN GLY 15 8.969 -6.025 -2.157 126 HA2 GLY 15 2HA GLY 15 10.375 -4.138 -0.600 127 HA3 GLY 15 1HA GLY 15 9.947 -5.767 -0.096 128 H ALA 16 HN ALA 16 11.358 -7.307 -1.858 129 HA ALA 16 HA ALA 16 13.981 -7.184 -0.764 130 HB1 ALA 16 1HB ALA 16 12.868 -9.302 -1.322 131 HB2 ALA 16 2HB ALA 16 14.433 -9.147 -2.119 132 HB3 ALA 16 3HB ALA 16 12.949 -8.881 -3.034 133 H ASP 17 HN ASP 17 12.505 -6.033 -3.675 134 HA ASP 17 HA ASP 17 14.888 -5.770 -5.229 135 HB2 ASP 17 2HB ASP 17 12.598 -5.946 -6.178 136 HB3 ASP 17 1HB ASP 17 12.234 -4.361 -5.527 137 H ALA 18 HN ALA 18 13.018 -3.651 -3.169 138 HA ALA 18 HA ALA 18 14.477 -1.280 -3.867 139 HB1 ALA 18 1HB ALA 18 12.117 -1.223 -3.169 140 HB2 ALA 18 2HB ALA 18 13.137 -0.174 -2.186 141 HB3 ALA 18 3HB ALA 18 12.601 -1.729 -1.550 142 H TYR 19 HN TYR 19 14.662 -3.650 -1.280 143 HA TYR 19 HA TYR 19 16.169 -2.069 0.511 144 HB2 TYR 19 2HB TYR 19 15.314 -4.881 0.349 145 HB3 TYR 19 1HB TYR 19 16.791 -4.605 1.270 146 HD1 TYR 19 2HD TYR 19 13.388 -3.109 0.892 147 HD2 TYR 19 1HD TYR 19 16.560 -4.162 3.525 148 HE1 TYR 19 2HE TYR 19 12.060 -2.315 2.799 149 HE2 TYR 19 1HE TYR 19 15.240 -3.364 5.441 150 HH TYR 19 HH TYR 19 13.392 -1.819 5.882 151 HA PRO 20 HA PRO 20 17.921 -3.289 2.245 152 HB2 PRO 20 2HB PRO 20 19.981 -1.728 3.087 153 HB3 PRO 20 1HB PRO 20 20.134 -3.458 2.760 154 HG2 PRO 20 2HG PRO 20 20.868 -1.128 1.033 155 HG3 PRO 20 1HG PRO 20 21.764 -2.630 1.326 156 HD2 PRO 20 2HD PRO 20 20.303 -2.223 -0.912 157 HD3 PRO 20 1HD PRO 20 20.491 -3.828 -0.178 158 H GLU 21 HN GLU 21 17.974 -0.629 0.105 159 HA GLU 21 HA GLU 21 17.254 1.386 2.018 160 HB2 GLU 21 2HB GLU 21 16.958 1.307 -0.990 161 HB3 GLU 21 1HB GLU 21 16.657 2.724 0.008 162 HG2 GLU 21 2HG GLU 21 18.964 2.766 0.708 163 HG3 GLU 21 1HG GLU 21 19.290 1.284 -0.187 164 H GLU 22 HN GLU 22 15.120 2.453 2.062 165 HA GLU 22 HA GLU 22 13.058 0.398 1.990 166 HB2 GLU 22 2HB GLU 22 11.720 1.924 3.361 167 HB3 GLU 22 1HB GLU 22 13.297 1.633 4.078 168 HG2 GLU 22 2HG GLU 22 14.079 3.789 3.375 169 HG3 GLU 22 1HG GLU 22 12.602 4.070 2.454 170 H GLY 23 HN GLY 23 11.394 0.378 0.631 171 HA2 GLY 23 2HA GLY 23 11.252 2.444 -1.423 172 HA3 GLY 23 1HA GLY 23 10.386 0.913 -1.424 173 H CYS 24 HN CYS 24 8.820 0.728 0.506 174 HA CYS 24 HA CYS 24 6.965 1.388 1.611 175 HB2 CYS 24 2HB CYS 24 8.318 4.096 1.626 176 HB3 CYS 24 1HB CYS 24 6.968 3.612 2.651 177 HG CYS 24 HG CYS 24 9.911 3.596 3.614 178 H GLY 25 HN GLY 25 5.113 3.110 1.568 179 HA2 GLY 25 2HA GLY 25 4.435 4.924 -0.209 180 HA3 GLY 25 1HA GLY 25 4.430 3.505 -1.247 181 H PHE 26 HN PHE 26 2.166 4.129 -1.545 182 HA PHE 26 HA PHE 26 0.447 3.368 0.715 183 HB2 PHE 26 2HB PHE 26 -0.119 5.106 -1.693 184 HB3 PHE 26 1HB PHE 26 -1.360 4.574 -0.566 185 HD1 PHE 26 2HD PHE 26 -1.428 5.444 1.707 186 HD2 PHE 26 1HD PHE 26 1.455 6.823 -1.101 187 HE1 PHE 26 2HE PHE 26 -0.967 7.387 3.140 188 HE2 PHE 26 1HE PHE 26 1.920 8.770 0.332 189 HZ PHE 26 HZ PHE 26 0.707 9.055 2.453 190 H LEU 27 HN LEU 27 -1.515 2.208 0.220 191 HA LEU 27 HA LEU 27 -1.186 0.328 -2.013 192 HB2 LEU 27 2HB LEU 27 -2.886 0.136 0.476 193 HB3 LEU 27 1HB LEU 27 -2.793 -1.085 -0.776 194 HG LEU 27 HG LEU 27 -0.486 -0.226 0.970 195 HD11 LEU 27 1HD1 LEU 27 -2.239 -2.676 1.070 196 HD12 LEU 27 2HD1 LEU 27 -2.170 -1.384 2.269 197 HD13 LEU 27 3HD1 LEU 27 -0.773 -2.433 2.019 198 HD21 LEU 27 3HD2 LEU 27 -0.755 -2.459 -1.035 199 HD22 LEU 27 1HD2 LEU 27 0.616 -2.215 0.044 200 HD23 LEU 27 2HD2 LEU 27 0.250 -1.020 -1.200 201 H LEU 28 HN LEU 28 -2.571 0.390 -3.671 202 HA LEU 28 HA LEU 28 -4.820 2.273 -3.451 203 HB2 LEU 28 2HB LEU 28 -3.383 1.334 -5.934 204 HB3 LEU 28 1HB LEU 28 -4.647 2.547 -5.867 205 HG LEU 28 HG LEU 28 -1.891 2.799 -4.654 206 HD11 LEU 28 1HD1 LEU 28 -1.907 2.923 -7.103 207 HD12 LEU 28 2HD1 LEU 28 -1.518 4.478 -6.368 208 HD13 LEU 28 3HD1 LEU 28 -3.130 4.194 -7.024 209 HD21 LEU 28 3HD2 LEU 28 -2.523 5.100 -4.170 210 HD22 LEU 28 1HD2 LEU 28 -3.600 3.970 -3.345 211 HD23 LEU 28 2HD2 LEU 28 -4.142 4.802 -4.802 212 H GLY 29 HN GLY 29 -6.845 1.693 -4.192 213 HA2 GLY 29 2HA GLY 29 -7.469 -0.590 -5.677 214 HA3 GLY 29 1HA GLY 29 -7.566 -1.022 -3.975 215 H THR 30 HN THR 30 -9.813 -1.373 -4.191 216 HA THR 30 HA THR 30 -11.361 1.130 -4.302 217 HB THR 30 HB THR 30 -13.319 -0.401 -4.938 218 HG1 THR 30 1HG THR 30 -12.802 -2.373 -5.836 219 HG21 THR 30 3HG2 THR 30 -12.737 -0.338 -7.327 220 HG22 THR 30 1HG2 THR 30 -11.063 0.020 -6.898 221 HG23 THR 30 2HG2 THR 30 -12.341 1.171 -6.509 222 H VAL 31 HN VAL 31 -13.129 1.311 -2.854 223 HA VAL 31 HA VAL 31 -12.780 -0.259 -0.418 224 HB VAL 31 HB VAL 31 -14.497 2.183 -0.924 225 HG11 VAL 31 1HG1 VAL 31 -13.814 0.782 1.658 226 HG12 VAL 31 2HG1 VAL 31 -15.394 0.823 0.876 227 HG13 VAL 31 3HG1 VAL 31 -14.689 2.307 1.518 228 HG21 VAL 31 3HG2 VAL 31 -12.133 2.688 -1.103 229 HG22 VAL 31 1HG2 VAL 31 -11.825 1.900 0.444 230 HG23 VAL 31 2HG2 VAL 31 -12.792 3.373 0.382 231 H THR 32 HN THR 32 -14.231 -1.727 0.303 232 HA THR 32 HA THR 32 -16.719 -2.023 -1.250 233 HB THR 32 HB THR 32 -15.270 -3.929 -1.640 234 HG1 THR 32 1HG THR 32 -17.039 -5.055 -1.578 235 HG21 THR 32 3HG2 THR 32 -15.268 -4.311 1.356 236 HG22 THR 32 1HG2 THR 32 -13.889 -3.825 0.368 237 HG23 THR 32 2HG2 THR 32 -14.588 -5.433 0.177 238 H ASP 33 HN ASP 33 -18.625 -2.225 -0.157 239 HA ASP 33 HA ASP 33 -20.138 -2.225 1.553 240 HB2 ASP 33 2HB ASP 33 -18.931 -4.036 2.592 241 HB3 ASP 33 1HB ASP 33 -17.740 -2.933 3.252 242 H ASP 34 HN ASP 34 -17.528 -0.246 1.303 243 HA ASP 34 HA ASP 34 -17.045 1.910 1.866 244 HB2 ASP 34 2HB ASP 34 -19.536 2.310 1.752 245 HB3 ASP 34 1HB ASP 34 -19.617 1.947 3.470 246 H GLY 35 HN GLY 35 -16.801 -0.670 3.518 247 HA2 GLY 35 2HA GLY 35 -15.838 0.639 5.985 248 HA3 GLY 35 1HA GLY 35 -16.646 -0.922 6.011 249 H ASP 36 HN ASP 36 -15.411 -2.149 3.808 250 HA ASP 36 HA ASP 36 -12.734 -2.543 4.959 251 HB2 ASP 36 2HB ASP 36 -14.558 -4.444 4.632 252 HB3 ASP 36 1HB ASP 36 -13.931 -4.457 2.991 253 H ASN 37 HN ASN 37 -11.156 -3.436 3.155 254 HA ASN 37 HA ASN 37 -11.360 -1.612 0.866 255 HB2 ASN 37 2HB ASN 37 -8.971 -1.069 1.118 256 HB3 ASN 37 1HB ASN 37 -9.930 -0.521 2.481 257 HD21 ASN 37 1HD2 ASN 37 -9.649 -1.472 4.479 258 HD22 ASN 37 2HD2 ASN 37 -8.276 -2.467 4.837 259 H ARG 38 HN ARG 38 -10.516 -2.288 -1.027 260 HA ARG 38 HA ARG 38 -9.476 -5.049 -1.119 261 HB2 ARG 38 2HB ARG 38 -11.752 -4.621 -2.122 262 HB3 ARG 38 1HB ARG 38 -10.977 -3.558 -3.282 263 HG2 ARG 38 2HG ARG 38 -9.667 -5.451 -4.127 264 HG3 ARG 38 1HG ARG 38 -10.488 -6.514 -2.977 265 HD2 ARG 38 2HD ARG 38 -12.659 -5.728 -4.010 266 HD3 ARG 38 1HD ARG 38 -11.685 -4.993 -5.280 267 HE ARG 38 HE ARG 38 -10.799 -7.484 -5.405 268 HH11 ARG 38 1HH1 ARG 38 -14.064 -6.269 -5.105 269 HH12 ARG 38 2HH1 ARG 38 -14.795 -7.634 -5.892 270 HH21 ARG 38 1HH2 ARG 38 -11.737 -9.285 -6.444 271 HH22 ARG 38 2HH2 ARG 38 -13.458 -9.349 -6.665 272 H VAL 39 HN VAL 39 -7.315 -4.889 -1.360 273 HA VAL 39 HA VAL 39 -6.147 -2.602 -2.713 274 HB VAL 39 HB VAL 39 -4.764 -4.998 -1.481 275 HG11 VAL 39 1HG1 VAL 39 -3.687 -2.304 -2.304 276 HG12 VAL 39 2HG1 VAL 39 -3.367 -3.844 -3.105 277 HG13 VAL 39 3HG1 VAL 39 -2.776 -3.560 -1.465 278 HG21 VAL 39 3HG2 VAL 39 -4.330 -3.520 0.435 279 HG22 VAL 39 1HG2 VAL 39 -6.056 -3.792 0.190 280 HG23 VAL 39 2HG2 VAL 39 -5.322 -2.272 -0.317 281 H ALA 40 HN ALA 40 -5.626 -2.557 -4.812 282 HA ALA 40 HA ALA 40 -5.140 -5.110 -6.187 283 HB1 ALA 40 1HB ALA 40 -7.474 -4.460 -6.554 284 HB2 ALA 40 2HB ALA 40 -6.541 -4.436 -8.051 285 HB3 ALA 40 3HB ALA 40 -6.935 -2.924 -7.231 286 H ALA 41 HN ALA 41 -3.824 -2.213 -5.432 287 HA ALA 41 HA ALA 41 -1.948 -2.415 -7.625 288 HB1 ALA 41 1HB ALA 41 -3.543 0.109 -7.220 289 HB2 ALA 41 2HB ALA 41 -3.590 -0.956 -8.624 290 HB3 ALA 41 3HB ALA 41 -2.129 -0.039 -8.258 291 H LEU 42 HN LEU 42 0.038 -1.369 -7.238 292 HA LEU 42 HA LEU 42 0.428 -0.635 -4.411 293 HB2 LEU 42 2HB LEU 42 2.425 -1.686 -6.417 294 HB3 LEU 42 1HB LEU 42 2.777 -1.290 -4.747 295 HG LEU 42 HG LEU 42 0.943 -3.492 -5.690 296 HD11 LEU 42 1HD1 LEU 42 2.664 -4.981 -4.791 297 HD12 LEU 42 2HD1 LEU 42 3.670 -3.585 -4.409 298 HD13 LEU 42 3HD1 LEU 42 3.302 -3.973 -6.090 299 HD21 LEU 42 3HD2 LEU 42 0.194 -2.514 -3.576 300 HD22 LEU 42 1HD2 LEU 42 1.811 -2.732 -2.904 301 HD23 LEU 42 2HD2 LEU 42 0.840 -4.138 -3.340 302 H HIS 43 HN HIS 43 1.926 1.032 -3.895 303 HA HIS 43 HA HIS 43 2.828 2.764 -6.071 304 HB2 HIS 43 2HB HIS 43 0.806 3.873 -5.412 305 HB3 HIS 43 1HB HIS 43 1.164 3.650 -3.704 306 HD1 HIS 43 1HD HIS 43 2.377 5.667 -6.692 307 HD2 HIS 43 2HD HIS 43 2.575 5.679 -2.540 308 HE1 HIS 43 1HE HIS 43 3.440 7.856 -6.067 309 HE2 HIS 43 2HE HIS 43 3.753 7.736 -3.569 310 H ARG 44 HN ARG 44 4.832 3.558 -5.742 311 HA ARG 44 HA ARG 44 6.074 2.975 -3.138 312 HB2 ARG 44 2HB ARG 44 8.183 2.805 -4.212 313 HB3 ARG 44 1HB ARG 44 7.053 1.861 -5.165 314 HG2 ARG 44 2HG ARG 44 6.910 3.653 -6.805 315 HG3 ARG 44 1HG ARG 44 8.022 4.631 -5.842 316 HD2 ARG 44 2HD ARG 44 9.688 2.775 -6.051 317 HD3 ARG 44 1HD ARG 44 8.589 1.997 -7.186 318 HE ARG 44 HE ARG 44 9.602 4.708 -7.724 319 HH11 ARG 44 1HH1 ARG 44 9.187 1.364 -8.639 320 HH12 ARG 44 2HH1 ARG 44 9.969 1.544 -10.181 321 HH21 ARG 44 1HH2 ARG 44 10.678 4.955 -9.727 322 HH22 ARG 44 2HH2 ARG 44 10.862 3.583 -10.784 323 H ALA 45 HN ALA 45 7.134 4.544 -2.024 324 HA ALA 45 HA ALA 45 6.238 7.137 -2.115 325 HB1 ALA 45 1HB ALA 45 7.374 6.143 -0.185 326 HB2 ALA 45 2HB ALA 45 8.068 7.706 -0.617 327 HB3 ALA 45 3HB ALA 45 8.907 6.218 -1.054 328 H THR 46 HN THR 46 6.275 8.249 -3.932 329 HA THR 46 HA THR 46 8.694 9.480 -4.833 330 HB THR 46 HB THR 46 7.244 7.702 -6.813 331 HG1 THR 46 1HG THR 46 9.193 7.088 -5.129 332 HG21 THR 46 3HG2 THR 46 9.659 9.478 -7.165 333 HG22 THR 46 1HG2 THR 46 8.050 9.770 -7.825 334 HG23 THR 46 2HG2 THR 46 8.998 8.393 -8.388 335 H ASN 47 HN ASN 47 8.180 11.436 -5.773 336 HA ASN 47 HA ASN 47 5.305 12.005 -5.875 337 HB2 ASN 47 2HB ASN 47 5.888 14.355 -5.440 338 HB3 ASN 47 1HB ASN 47 6.455 13.286 -4.165 339 HD21 ASN 47 1HD2 ASN 47 7.302 15.984 -5.122 340 HD22 ASN 47 2HD2 ASN 47 9.011 15.838 -5.391 341 H ARG 48 HN ARG 48 4.409 12.437 -7.730 342 HA ARG 48 HA ARG 48 6.088 13.298 -9.974 343 HB2 ARG 48 2HB ARG 48 3.990 12.688 -11.333 344 HB3 ARG 48 1HB ARG 48 4.930 11.369 -10.648 345 HG2 ARG 48 2HG ARG 48 3.335 11.186 -8.808 346 HG3 ARG 48 1HG ARG 48 2.395 12.513 -9.490 347 HD2 ARG 48 2HD ARG 48 2.997 10.018 -11.046 348 HD3 ARG 48 1HD ARG 48 1.605 10.131 -9.970 349 HE ARG 48 HE ARG 48 1.696 12.328 -11.792 350 HH11 ARG 48 1HH1 ARG 48 0.917 8.925 -11.579 351 HH12 ARG 48 2HH1 ARG 48 -0.317 8.989 -12.804 352 HH21 ARG 48 1HH2 ARG 48 0.086 12.419 -13.415 353 HH22 ARG 48 2HH2 ARG 48 -0.783 10.975 -13.859 354 H ARG 49 HN ARG 49 5.967 15.367 -8.588 355 HA ARG 49 HA ARG 49 3.526 16.891 -8.889 356 HB2 ARG 49 2HB ARG 49 5.061 17.131 -6.904 357 HB3 ARG 49 1HB ARG 49 6.245 17.861 -7.980 358 HG2 ARG 49 2HG ARG 49 4.271 19.481 -8.560 359 HG3 ARG 49 1HG ARG 49 3.652 18.946 -6.997 360 HD2 ARG 49 2HD ARG 49 6.332 20.220 -7.532 361 HD3 ARG 49 1HD ARG 49 4.954 20.977 -6.741 362 HE ARG 49 HE ARG 49 5.499 18.748 -5.225 363 HH11 ARG 49 1HH1 ARG 49 7.312 21.556 -6.281 364 HH12 ARG 49 2HH1 ARG 49 8.350 21.575 -4.888 365 HH21 ARG 49 1HH2 ARG 49 6.806 18.800 -3.353 366 HH22 ARG 49 2HH2 ARG 49 8.062 20.005 -3.223 367 H SER 50 HN SER 50 3.138 17.287 -11.042 368 HA SER 50 HA SER 50 5.267 18.754 -12.463 369 HB2 SER 50 2HB SER 50 4.915 16.399 -13.294 370 HB3 SER 50 1HB SER 50 3.279 16.872 -13.755 371 HG SER 50 HG SER 50 4.233 17.413 -15.554 372 H GLU 51 HN GLU 51 1.855 18.284 -11.901 373 HA GLU 51 HA GLU 51 1.181 20.637 -13.494 374 HB2 GLU 51 2HB GLU 51 -1.173 19.929 -13.089 375 HB3 GLU 51 1HB GLU 51 -0.208 18.725 -13.927 376 HG2 GLU 51 2HG GLU 51 -0.652 18.626 -10.959 377 HG3 GLU 51 1HG GLU 51 -1.783 17.914 -12.107 378 H GLN 52 HN GLN 52 0.373 22.487 -12.660 379 HA GLN 52 HA GLN 52 0.551 22.802 -9.767 380 HB2 GLN 52 2HB GLN 52 1.681 24.469 -11.198 381 HB3 GLN 52 1HB GLN 52 0.132 24.888 -11.918 382 HG2 GLN 52 2HG GLN 52 -0.675 25.717 -9.801 383 HG3 GLN 52 1HG GLN 52 0.805 25.192 -9.000 384 HE21 GLN 52 1HE2 GLN 52 -0.410 27.854 -9.230 385 HE22 GLN 52 2HE2 GLN 52 0.807 28.865 -9.942 386 H ARG 53 HN ARG 53 -1.278 21.609 -9.253 387 HA ARG 53 HA ARG 53 -3.846 22.898 -9.903 388 HB2 ARG 53 2HB ARG 53 -3.674 20.743 -11.016 389 HB3 ARG 53 1HB ARG 53 -3.222 19.963 -9.510 390 HG2 ARG 53 2HG ARG 53 -5.490 19.427 -9.945 391 HG3 ARG 53 1HG ARG 53 -5.465 20.575 -8.606 392 HD2 ARG 53 2HD ARG 53 -6.037 22.385 -10.132 393 HD3 ARG 53 1HD ARG 53 -6.014 21.262 -11.492 394 HE ARG 53 HE ARG 53 -7.818 20.512 -9.368 395 HH11 ARG 53 1HH1 ARG 53 -7.474 22.304 -12.373 396 HH12 ARG 53 2HH1 ARG 53 -9.185 22.312 -12.697 397 HH21 ARG 53 1HH2 ARG 53 -10.054 20.526 -9.817 398 HH22 ARG 53 2HH2 ARG 53 -10.638 21.320 -11.247 399 H THR 54 HN THR 54 -4.777 23.774 -8.172 400 HA THR 54 HA THR 54 -4.031 22.843 -5.513 401 HB THR 54 HB THR 54 -5.336 24.918 -4.830 402 HG1 THR 54 1HG THR 54 -6.289 26.008 -6.344 403 HG21 THR 54 3HG2 THR 54 -2.888 25.271 -6.550 404 HG22 THR 54 1HG2 THR 54 -2.897 24.851 -4.838 405 HG23 THR 54 2HG2 THR 54 -3.482 26.430 -5.361 406 H ARG 55 HN ARG 55 -5.563 22.156 -4.013 407 HA ARG 55 HA ARG 55 -8.192 21.498 -5.148 408 HB2 ARG 55 2HB ARG 55 -6.776 20.192 -2.808 409 HB3 ARG 55 1HB ARG 55 -8.307 19.682 -3.513 410 HG2 ARG 55 2HG ARG 55 -7.177 19.184 -5.622 411 HG3 ARG 55 1HG ARG 55 -5.643 19.695 -4.923 412 HD2 ARG 55 2HD ARG 55 -5.643 17.348 -4.806 413 HD3 ARG 55 1HD ARG 55 -6.004 17.902 -3.174 414 HE ARG 55 HE ARG 55 -8.447 17.503 -4.012 415 HH11 ARG 55 1HH1 ARG 55 -5.623 15.531 -4.598 416 HH12 ARG 55 2HH1 ARG 55 -6.520 14.055 -4.798 417 HH21 ARG 55 1HH2 ARG 55 -9.648 15.574 -4.222 418 HH22 ARG 55 2HH2 ARG 55 -8.820 14.075 -4.541 419 H ARG 56 HN ARG 56 -7.224 21.675 -1.726 420 HA ARG 56 HA ARG 56 -8.668 24.224 -1.523 421 HB2 ARG 56 2HB ARG 56 -8.973 21.897 0.383 422 HB3 ARG 56 1HB ARG 56 -9.565 23.519 0.699 423 HG2 ARG 56 2HG ARG 56 -10.956 23.307 -1.381 424 HG3 ARG 56 1HG ARG 56 -10.486 21.606 -1.423 425 HD2 ARG 56 2HD ARG 56 -12.619 21.789 -0.340 426 HD3 ARG 56 1HD ARG 56 -11.408 21.350 0.866 427 HE ARG 56 HE ARG 56 -12.198 24.166 0.534 428 HH11 ARG 56 1HH1 ARG 56 -11.977 21.288 2.521 429 HH12 ARG 56 2HH1 ARG 56 -12.437 22.109 3.979 430 HH21 ARG 56 1HH2 ARG 56 -12.830 25.236 2.440 431 HH22 ARG 56 2HH2 ARG 56 -12.965 24.347 3.929 432 H TYR 57 HN TYR 57 -7.259 22.249 1.041 433 HA TYR 57 HA TYR 57 -5.262 24.377 1.467 434 HB2 TYR 57 2HB TYR 57 -6.915 24.103 3.286 435 HB3 TYR 57 1HB TYR 57 -6.445 22.419 3.460 436 HD1 TYR 57 2HD TYR 57 -5.043 25.871 3.658 437 HD2 TYR 57 1HD TYR 57 -4.803 21.841 4.991 438 HE1 TYR 57 2HE TYR 57 -3.335 26.523 5.305 439 HE2 TYR 57 1HE TYR 57 -3.099 22.479 6.641 440 HH TYR 57 HH TYR 57 -2.443 25.678 7.484 441 H GLU 58 HN GLU 58 -5.556 21.475 0.111 442 HA GLU 58 HA GLU 58 -3.428 19.981 1.252 443 HB2 GLU 58 2HB GLU 58 -5.304 19.000 -0.062 444 HB3 GLU 58 1HB GLU 58 -4.630 19.736 -1.508 445 HG2 GLU 58 2HG GLU 58 -2.577 18.414 -1.184 446 HG3 GLU 58 1HG GLU 58 -3.338 17.623 0.198 447 H LEU 59 HN LEU 59 -1.668 21.354 1.356 448 HA LEU 59 HA LEU 59 -0.211 21.603 -1.196 449 HB2 LEU 59 2HB LEU 59 -1.090 23.735 0.340 450 HB3 LEU 59 1HB LEU 59 0.556 23.509 0.897 451 HG LEU 59 HG LEU 59 0.449 25.189 -0.869 452 HD11 LEU 59 1HD1 LEU 59 2.137 24.278 -2.379 453 HD12 LEU 59 2HD1 LEU 59 1.796 22.653 -1.782 454 HD13 LEU 59 3HD1 LEU 59 2.476 23.867 -0.699 455 HD21 LEU 59 3HD2 LEU 59 -0.660 22.967 -2.580 456 HD22 LEU 59 1HD2 LEU 59 -0.147 24.549 -3.166 457 HD23 LEU 59 2HD2 LEU 59 -1.513 24.419 -2.057 458 H THR 60 HN THR 60 -0.282 19.453 0.644 459 HA THR 60 HA THR 60 2.462 19.429 1.639 460 HB THR 60 HB THR 60 1.151 20.101 3.571 461 HG1 THR 60 1HG THR 60 2.592 18.790 4.439 462 HG21 THR 60 3HG2 THR 60 -1.041 19.321 2.855 463 HG22 THR 60 1HG2 THR 60 -0.656 18.692 4.457 464 HG23 THR 60 2HG2 THR 60 -0.525 17.645 3.044 465 H ALA 61 HN ALA 61 3.217 17.235 2.096 466 HA ALA 61 HA ALA 61 3.542 15.054 1.607 467 HB1 ALA 61 1HB ALA 61 1.501 14.757 2.924 468 HB2 ALA 61 2HB ALA 61 1.647 13.547 1.650 469 HB3 ALA 61 3HB ALA 61 0.536 14.904 1.456 470 H ASP 62 HN ASP 62 4.574 15.609 -0.331 471 HA ASP 62 HA ASP 62 3.370 15.900 -2.830 472 HB2 ASP 62 2HB ASP 62 6.076 15.320 -1.824 473 HB3 ASP 62 1HB ASP 62 5.761 14.750 -3.457 474 H ASP 63 HN ASP 63 4.495 12.992 -1.148 475 HA ASP 63 HA ASP 63 4.120 11.239 -3.343 476 HB2 ASP 63 2HB ASP 63 5.559 10.703 -1.399 477 HB3 ASP 63 1HB ASP 63 4.117 10.551 -0.397 478 H TYR 64 HN TYR 64 1.990 12.331 -0.770 479 HA TYR 64 HA TYR 64 -0.075 10.459 -1.102 480 HB2 TYR 64 2HB TYR 64 -0.061 11.941 0.820 481 HB3 TYR 64 1HB TYR 64 -0.209 13.354 -0.220 482 HD1 TYR 64 2HD TYR 64 -1.994 10.383 1.065 483 HD2 TYR 64 1HD TYR 64 -2.334 14.064 -1.043 484 HE1 TYR 64 2HE TYR 64 -4.446 10.239 1.217 485 HE2 TYR 64 1HE TYR 64 -4.784 13.934 -0.893 486 HH TYR 64 HH TYR 64 -6.522 12.077 -0.635 487 H ARG 65 HN ARG 65 0.478 13.612 -2.625 488 HA ARG 65 HA ARG 65 -1.794 13.627 -4.259 489 HB2 ARG 65 2HB ARG 65 0.897 14.938 -4.465 490 HB3 ARG 65 1HB ARG 65 -0.292 15.117 -5.742 491 HG2 ARG 65 2HG ARG 65 -1.880 16.021 -4.065 492 HG3 ARG 65 1HG ARG 65 -0.580 15.957 -2.870 493 HD2 ARG 65 2HD ARG 65 0.703 17.549 -4.036 494 HD3 ARG 65 1HD ARG 65 -0.294 17.412 -5.483 495 HE ARG 65 HE ARG 65 -1.304 18.566 -2.963 496 HH11 ARG 65 1HH1 ARG 65 -0.945 18.600 -6.443 497 HH12 ARG 65 2HH1 ARG 65 -1.892 20.040 -6.661 498 HH21 ARG 65 1HH2 ARG 65 -2.533 20.495 -3.244 499 HH22 ARG 65 2HH2 ARG 65 -2.769 21.117 -4.851 500 H ALA 66 HN ALA 66 1.426 12.265 -4.740 501 HA ALA 66 HA ALA 66 1.022 11.553 -7.454 502 HB1 ALA 66 1HB ALA 66 2.934 10.358 -5.450 503 HB2 ALA 66 2HB ALA 66 3.244 11.779 -6.447 504 HB3 ALA 66 3HB ALA 66 3.028 10.201 -7.205 505 H ALA 67 HN ALA 67 0.518 9.876 -4.404 506 HA ALA 67 HA ALA 67 -0.168 7.364 -5.512 507 HB1 ALA 67 1HB ALA 67 -1.015 8.572 -2.879 508 HB2 ALA 67 2HB ALA 67 0.463 7.649 -3.165 509 HB3 ALA 67 3HB ALA 67 -1.111 6.867 -3.319 510 H ASP 68 HN ASP 68 -2.038 10.207 -4.600 511 HA ASP 68 HA ASP 68 -4.593 9.061 -5.109 512 HB2 ASP 68 2HB ASP 68 -4.199 11.049 -3.653 513 HB3 ASP 68 1HB ASP 68 -3.831 11.990 -5.092 514 H ALA 69 HN ALA 69 -2.359 11.031 -7.004 515 HA ALA 69 HA ALA 69 -4.005 11.490 -9.228 516 HB1 ALA 69 1HB ALA 69 -1.871 12.654 -8.841 517 HB2 ALA 69 2HB ALA 69 -1.969 11.959 -10.459 518 HB3 ALA 69 3HB ALA 69 -1.003 11.165 -9.216 519 H ALA 70 HN ALA 70 -1.555 8.934 -8.746 520 HA ALA 70 HA ALA 70 -2.146 7.580 -11.163 521 HB1 ALA 70 1HB ALA 70 -0.855 5.722 -10.227 522 HB2 ALA 70 2HB ALA 70 -0.893 6.486 -8.638 523 HB3 ALA 70 3HB ALA 70 -0.033 7.260 -9.968 524 H ALA 71 HN ALA 71 -3.471 7.400 -7.921 525 HA ALA 71 HA ALA 71 -4.935 5.020 -8.213 526 HB1 ALA 71 1HB ALA 71 -6.282 5.813 -6.342 527 HB2 ALA 71 2HB ALA 71 -5.599 7.428 -6.522 528 HB3 ALA 71 3HB ALA 71 -4.564 6.083 -6.043 529 H GLN 72 HN GLN 72 -5.955 8.427 -8.689 530 HA GLN 72 HA GLN 72 -8.548 7.691 -9.558 531 HB2 GLN 72 2HB GLN 72 -8.729 10.038 -10.373 532 HB3 GLN 72 1HB GLN 72 -8.253 9.891 -8.688 533 HG2 GLN 72 2HG GLN 72 -5.918 10.298 -9.333 534 HG3 GLN 72 1HG GLN 72 -6.438 10.505 -11.005 535 HE21 GLN 72 1HE2 GLN 72 -6.480 11.881 -7.792 536 HE22 GLN 72 2HE2 GLN 72 -7.002 13.459 -8.274 537 H GLU 73 HN GLU 73 -5.517 8.209 -11.267 538 HA GLU 73 HA GLU 73 -6.461 8.099 -13.889 539 HB2 GLU 73 2HB GLU 73 -3.889 7.163 -12.634 540 HB3 GLU 73 1HB GLU 73 -4.166 7.123 -14.362 541 HG2 GLU 73 2HG GLU 73 -4.558 9.555 -14.318 542 HG3 GLU 73 1HG GLU 73 -4.152 9.554 -12.607 543 H GLN 74 HN GLN 74 -5.696 5.546 -11.609 544 HA GLN 74 HA GLN 74 -6.349 3.462 -13.508 545 HB2 GLN 74 2HB GLN 74 -5.490 3.452 -10.623 546 HB3 GLN 74 1HB GLN 74 -5.870 1.985 -11.509 547 HG2 GLN 74 2HG GLN 74 -4.072 2.336 -13.025 548 HG3 GLN 74 1HG GLN 74 -3.785 3.957 -12.395 549 HE21 GLN 74 1HE2 GLN 74 -4.087 3.197 -9.628 550 HE22 GLN 74 2HE2 GLN 74 -2.682 2.297 -9.208 551 H GLY 75 HN GLY 75 -8.206 5.481 -11.719 552 HA2 GLY 75 2HA GLY 75 -10.462 5.422 -11.218 553 HA3 GLY 75 1HA GLY 75 -10.527 3.819 -11.938 554 H LEU 76 HN LEU 76 -8.335 4.646 -9.362 555 HA LEU 76 HA LEU 76 -9.924 3.030 -7.479 556 HB2 LEU 76 2HB LEU 76 -6.914 3.079 -7.739 557 HB3 LEU 76 1HB LEU 76 -7.843 2.103 -6.624 558 HG LEU 76 HG LEU 76 -7.894 1.804 -9.629 559 HD11 LEU 76 1HD1 LEU 76 -6.645 -0.263 -9.229 560 HD12 LEU 76 2HD1 LEU 76 -6.542 0.133 -7.515 561 HD13 LEU 76 3HD1 LEU 76 -5.738 1.157 -8.703 562 HD21 LEU 76 3HD2 LEU 76 -9.986 1.122 -8.599 563 HD22 LEU 76 1HD2 LEU 76 -9.109 0.124 -7.439 564 HD23 LEU 76 2HD2 LEU 76 -9.085 -0.289 -9.152 565 H ASP 77 HN ASP 77 -8.769 3.371 -5.165 566 HA ASP 77 HA ASP 77 -7.740 6.086 -4.889 567 HB2 ASP 77 2HB ASP 77 -9.170 6.523 -2.924 568 HB3 ASP 77 1HB ASP 77 -10.087 6.384 -4.416 569 H VAL 78 HN VAL 78 -7.135 6.376 -2.416 570 HA VAL 78 HA VAL 78 -5.209 4.280 -1.935 571 HB VAL 78 HB VAL 78 -5.735 6.753 -0.275 572 HG11 VAL 78 1HG1 VAL 78 -3.314 4.960 -0.478 573 HG12 VAL 78 2HG1 VAL 78 -4.445 5.029 0.874 574 HG13 VAL 78 3HG1 VAL 78 -3.430 6.423 0.499 575 HG21 VAL 78 3HG2 VAL 78 -5.232 7.393 -2.580 576 HG22 VAL 78 1HG2 VAL 78 -3.785 6.384 -2.552 577 HG23 VAL 78 2HG2 VAL 78 -3.893 7.801 -1.508 578 H VAL 79 HN VAL 79 -5.782 2.508 -0.860 579 HA VAL 79 HA VAL 79 -7.929 2.722 1.137 580 HB VAL 79 HB VAL 79 -8.208 0.278 0.864 581 HG11 VAL 79 1HG1 VAL 79 -9.575 1.862 -0.403 582 HG12 VAL 79 2HG1 VAL 79 -9.295 0.376 -1.309 583 HG13 VAL 79 3HG1 VAL 79 -8.392 1.838 -1.710 584 HG21 VAL 79 3HG2 VAL 79 -5.927 -0.253 0.138 585 HG22 VAL 79 1HG2 VAL 79 -6.222 0.579 -1.389 586 HG23 VAL 79 2HG2 VAL 79 -7.133 -0.877 -0.987 587 H GLY 80 HN GLY 80 -4.581 2.308 0.872 588 HA2 GLY 80 2HA GLY 80 -4.343 1.789 3.684 589 HA3 GLY 80 1HA GLY 80 -3.885 0.402 2.707 590 H VAL 81 HN VAL 81 -1.940 1.110 4.141 591 HA VAL 81 HA VAL 81 -0.081 2.499 2.337 592 HB VAL 81 HB VAL 81 0.153 2.899 5.304 593 HG11 VAL 81 1HG1 VAL 81 2.091 3.412 3.994 594 HG12 VAL 81 2HG1 VAL 81 1.400 4.907 4.626 595 HG13 VAL 81 3HG1 VAL 81 1.146 4.460 2.938 596 HG21 VAL 81 3HG2 VAL 81 -0.962 5.073 5.139 597 HG22 VAL 81 1HG2 VAL 81 -2.067 3.748 4.777 598 HG23 VAL 81 2HG2 VAL 81 -1.398 4.721 3.467 599 H TYR 82 HN TYR 82 2.152 1.777 2.698 600 HA TYR 82 HA TYR 82 2.429 -0.405 4.608 601 HB2 TYR 82 2HB TYR 82 3.476 -1.923 3.079 602 HB3 TYR 82 1HB TYR 82 1.919 -1.459 2.417 603 HD1 TYR 82 1HD TYR 82 1.834 0.081 0.456 604 HD2 TYR 82 2HD TYR 82 5.499 -1.501 1.924 605 HE1 TYR 82 1HE TYR 82 2.919 0.618 -1.681 606 HE2 TYR 82 2HE TYR 82 6.595 -0.967 -0.209 607 HH TYR 82 HH TYR 82 5.182 1.068 -2.520 608 H HIS 83 HN HIS 83 4.305 -0.519 5.610 609 HA HIS 83 HA HIS 83 6.591 1.042 4.681 610 HB2 HIS 83 2HB HIS 83 5.247 2.589 6.090 611 HB3 HIS 83 1HB HIS 83 5.330 1.436 7.413 612 HD1 HIS 83 1HD HIS 83 7.135 1.853 9.050 613 HD2 HIS 83 2HD HIS 83 7.980 3.554 5.346 614 HE1 HIS 83 1HE HIS 83 9.294 3.115 9.353 615 HE2 HIS 83 2HE HIS 83 9.759 4.186 7.121 616 H SER 84 HN SER 84 8.477 0.018 5.169 617 HA SER 84 HA SER 84 8.184 -2.474 6.685 618 HB2 SER 84 2HB SER 84 10.257 -3.151 5.407 619 HB3 SER 84 1HB SER 84 8.822 -2.883 4.418 620 HG SER 84 HG SER 84 11.215 -1.544 4.462 621 H HIS 85 HN HIS 85 9.855 -3.165 8.070 622 HA HIS 85 HA HIS 85 11.600 -0.997 9.047 623 HB2 HIS 85 2HB HIS 85 10.443 -3.357 10.555 624 HB3 HIS 85 1HB HIS 85 11.652 -2.265 11.212 625 HD1 HIS 85 1HD HIS 85 8.090 -2.782 11.027 626 HD2 HIS 85 2HD HIS 85 10.601 0.504 11.427 627 HE1 HIS 85 1HE HIS 85 6.657 -0.954 11.977 628 HE2 HIS 85 2HE HIS 85 8.193 1.022 12.254 629 HA PRO 86 HA PRO 86 14.935 -3.672 7.811 630 HB2 PRO 86 2HB PRO 86 16.660 -2.290 9.716 631 HB3 PRO 86 1HB PRO 86 16.701 -2.257 7.952 632 HG2 PRO 86 2HG PRO 86 15.952 -0.115 9.429 633 HG3 PRO 86 1HG PRO 86 15.290 -0.449 7.818 634 HD2 PRO 86 2HD PRO 86 14.081 -0.987 10.510 635 HD3 PRO 86 1HD PRO 86 13.315 -0.342 9.041 636 H ASP 87 HN ASP 87 13.951 -5.486 8.861 637 HA ASP 87 HA ASP 87 13.905 -7.286 10.216 638 HB2 ASP 87 2HB ASP 87 16.306 -7.370 9.726 639 HB3 ASP 87 1HB ASP 87 16.629 -6.316 11.099 640 H HIS 88 HN HIS 88 12.195 -6.668 11.439 641 HA HIS 88 HA HIS 88 12.732 -6.334 14.245 642 HB2 HIS 88 2HB HIS 88 11.596 -4.110 12.614 643 HB3 HIS 88 1HB HIS 88 10.868 -4.397 14.188 644 HD1 HIS 88 1HD HIS 88 12.871 -1.970 13.113 645 HD2 HIS 88 2HD HIS 88 13.665 -5.002 15.848 646 HE1 HIS 88 1HE HIS 88 14.775 -1.136 14.513 647 HE2 HIS 88 2HE HIS 88 15.386 -3.076 15.996 648 HA PRO 89 HA PRO 89 9.320 -8.947 14.808 649 HB2 PRO 89 2HB PRO 89 7.609 -7.721 16.572 650 HB3 PRO 89 1HB PRO 89 9.118 -8.522 17.019 651 HG2 PRO 89 2HG PRO 89 8.576 -5.615 16.582 652 HG3 PRO 89 1HG PRO 89 9.534 -6.401 17.852 653 HD2 PRO 89 2HD PRO 89 10.703 -5.228 15.755 654 HD3 PRO 89 1HD PRO 89 11.352 -6.724 16.452 655 H ALA 90 HN ALA 90 8.697 -6.181 13.137 656 HA ALA 90 HA ALA 90 7.247 -5.714 11.476 657 HB1 ALA 90 1HB ALA 90 5.945 -8.366 12.044 658 HB2 ALA 90 2HB ALA 90 7.345 -8.130 10.997 659 HB3 ALA 90 3HB ALA 90 5.794 -7.404 10.574 660 H ARG 91 HN ARG 91 6.298 -6.057 14.598 661 HA ARG 91 HA ARG 91 3.630 -4.978 14.134 662 HB2 ARG 91 2HB ARG 91 3.581 -4.987 16.719 663 HB3 ARG 91 1HB ARG 91 3.527 -6.532 15.883 664 HG2 ARG 91 2HG ARG 91 5.462 -7.206 16.761 665 HG3 ARG 91 1HG ARG 91 6.223 -5.642 16.505 666 HD2 ARG 91 2HD ARG 91 4.332 -6.324 18.747 667 HD3 ARG 91 1HD ARG 91 6.088 -6.216 18.885 668 HE ARG 91 HE ARG 91 4.594 -3.866 17.972 669 HH11 ARG 91 1HH1 ARG 91 6.547 -5.441 20.412 670 HH12 ARG 91 2HH1 ARG 91 6.797 -3.984 21.329 671 HH21 ARG 91 1HH2 ARG 91 4.942 -1.950 19.141 672 HH22 ARG 91 2HH2 ARG 91 5.905 -1.987 20.591 673 HA PRO 92 HA PRO 92 4.865 -0.796 14.339 674 HB2 PRO 92 2HB PRO 92 2.463 -0.243 15.973 675 HB3 PRO 92 1HB PRO 92 2.920 0.393 14.390 676 HG2 PRO 92 2HG PRO 92 0.953 -1.406 14.661 677 HG3 PRO 92 1HG PRO 92 2.038 -1.418 13.260 678 HD2 PRO 92 2HD PRO 92 2.038 -3.179 15.675 679 HD3 PRO 92 1HD PRO 92 2.369 -3.588 13.979 680 H SER 93 HN SER 93 6.226 0.310 15.587 681 HA SER 93 HA SER 93 6.374 -0.219 18.439 682 HB2 SER 93 2HB SER 93 7.979 1.851 16.938 683 HB3 SER 93 1HB SER 93 8.428 0.947 18.385 684 HG SER 93 HG SER 93 8.392 0.127 15.699 685 H ALA 94 HN ALA 94 6.826 2.001 19.738 686 HA ALA 94 HA ALA 94 4.372 3.329 19.917 687 HB1 ALA 94 1HB ALA 94 6.011 3.234 21.744 688 HB2 ALA 94 2HB ALA 94 5.491 4.886 21.413 689 HB3 ALA 94 3HB ALA 94 7.065 4.326 20.846 690 H THR 95 HN THR 95 7.401 4.378 18.378 691 HA THR 95 HA THR 95 6.445 6.904 17.573 692 HB THR 95 HB THR 95 8.713 5.270 16.418 693 HG1 THR 95 1HG THR 95 8.412 6.983 18.639 694 HG21 THR 95 3HG2 THR 95 8.166 8.242 16.261 695 HG22 THR 95 1HG2 THR 95 8.027 7.101 14.923 696 HG23 THR 95 2HG2 THR 95 9.603 7.419 15.650 697 H ASP 96 HN ASP 96 6.340 3.738 16.011 698 HA ASP 96 HA ASP 96 5.559 4.575 13.448 699 HB2 ASP 96 2HB ASP 96 4.873 2.053 14.970 700 HB3 ASP 96 1HB ASP 96 4.428 2.319 13.289 701 H LEU 97 HN LEU 97 3.696 3.927 16.367 702 HA LEU 97 HA LEU 97 1.153 4.440 15.208 703 HB2 LEU 97 2HB LEU 97 1.611 3.156 17.327 704 HB3 LEU 97 1HB LEU 97 1.957 4.681 18.112 705 HG LEU 97 HG LEU 97 -0.712 4.174 16.821 706 HD11 LEU 97 1HD1 LEU 97 -0.347 2.322 18.349 707 HD12 LEU 97 2HD1 LEU 97 -1.537 3.440 19.016 708 HD13 LEU 97 3HD1 LEU 97 0.117 3.444 19.629 709 HD21 LEU 97 3HD2 LEU 97 -1.476 5.802 18.485 710 HD22 LEU 97 1HD2 LEU 97 -0.204 6.475 17.465 711 HD23 LEU 97 2HD2 LEU 97 0.170 5.943 19.103 712 H GLU 98 HN GLU 98 3.558 6.411 16.856 713 HA GLU 98 HA GLU 98 2.012 8.697 17.294 714 HB2 GLU 98 2HB GLU 98 4.981 8.524 16.766 715 HB3 GLU 98 1HB GLU 98 4.146 9.903 17.470 716 HG2 GLU 98 2HG GLU 98 3.463 8.507 19.363 717 HG3 GLU 98 1HG GLU 98 4.337 7.147 18.662 718 H GLU 99 HN GLU 99 3.905 7.757 14.434 719 HA GLU 99 HA GLU 99 3.139 10.256 13.153 720 HB2 GLU 99 2HB GLU 99 4.556 9.464 11.263 721 HB3 GLU 99 1HB GLU 99 5.407 9.650 12.787 722 HG2 GLU 99 2HG GLU 99 5.361 7.259 13.140 723 HG3 GLU 99 1HG GLU 99 4.426 7.041 11.659 724 H ALA 100 HN ALA 100 1.907 7.140 13.438 725 HA ALA 100 HA ALA 100 0.547 7.122 10.887 726 HB1 ALA 100 1HB ALA 100 1.156 5.017 12.003 727 HB2 ALA 100 2HB ALA 100 -0.576 5.131 11.696 728 HB3 ALA 100 3HB ALA 100 0.052 5.409 13.321 729 H THR 101 HN THR 101 -0.633 8.999 10.790 730 HA THR 101 HA THR 101 -2.781 9.312 12.789 731 HB THR 101 HB THR 101 -1.671 11.574 11.152 732 HG1 THR 101 1HG THR 101 -0.514 10.257 13.299 733 HG21 THR 101 3HG2 THR 101 -2.512 12.940 13.000 734 HG22 THR 101 1HG2 THR 101 -3.039 11.484 13.846 735 HG23 THR 101 2HG2 THR 101 -3.799 11.944 12.322 736 H PHE 102 HN PHE 102 -2.729 7.790 10.246 737 HA PHE 102 HA PHE 102 -4.742 9.300 8.721 738 HB2 PHE 102 2HB PHE 102 -2.923 7.088 7.745 739 HB3 PHE 102 1HB PHE 102 -4.120 7.931 6.769 740 HD1 PHE 102 1HD PHE 102 -3.792 10.315 6.201 741 HD2 PHE 102 2HD PHE 102 -0.798 8.042 8.199 742 HE1 PHE 102 1HE PHE 102 -2.110 12.017 5.615 743 HE2 PHE 102 2HE PHE 102 0.886 9.733 7.612 744 HZ PHE 102 HZ PHE 102 0.232 11.724 6.320 745 HA PRO 103 HA PRO 103 -7.047 5.839 10.670 746 HB2 PRO 103 2HB PRO 103 -9.384 7.168 10.927 747 HB3 PRO 103 1HB PRO 103 -8.056 7.363 12.079 748 HG2 PRO 103 2HG PRO 103 -8.840 9.120 9.780 749 HG3 PRO 103 1HG PRO 103 -8.378 9.581 11.428 750 HD2 PRO 103 2HD PRO 103 -6.661 9.696 9.334 751 HD3 PRO 103 1HD PRO 103 -6.129 9.356 10.992 752 H GLY 104 HN GLY 104 -8.348 4.362 9.698 753 HA2 GLY 104 2HA GLY 104 -10.084 3.673 8.235 754 HA3 GLY 104 1HA GLY 104 -9.837 5.136 7.293 755 H PHE 105 HN PHE 105 -6.848 4.553 7.553 756 HA PHE 105 HA PHE 105 -6.711 2.873 5.176 757 HB2 PHE 105 2HB PHE 105 -4.581 4.507 6.577 758 HB3 PHE 105 1HB PHE 105 -4.349 3.618 5.076 759 HD1 PHE 105 2HD PHE 105 -5.370 4.390 3.006 760 HD2 PHE 105 1HD PHE 105 -5.784 6.582 6.628 761 HE1 PHE 105 2HE PHE 105 -6.116 6.353 1.729 762 HE2 PHE 105 1HE PHE 105 -6.535 8.552 5.357 763 HZ PHE 105 HZ PHE 105 -6.700 8.436 2.900 764 H THR 106 HN THR 106 -5.599 0.953 5.061 765 HA THR 106 HA THR 106 -4.997 -0.324 7.615 766 HB THR 106 HB THR 106 -5.007 -1.530 4.838 767 HG1 THR 106 1HG THR 106 -7.057 -0.639 5.862 768 HG21 THR 106 3HG2 THR 106 -5.061 -2.835 7.564 769 HG22 THR 106 1HG2 THR 106 -3.678 -2.796 6.473 770 HG23 THR 106 2HG2 THR 106 -5.140 -3.672 6.014 771 H TYR 107 HN TYR 107 -2.982 -0.596 8.339 772 HA TYR 107 HA TYR 107 -0.776 0.261 6.614 773 HB2 TYR 107 2HB TYR 107 -0.954 -0.150 9.606 774 HB3 TYR 107 1HB TYR 107 0.533 0.263 8.763 775 HD1 TYR 107 1HD TYR 107 0.812 2.483 7.754 776 HD2 TYR 107 2HD TYR 107 -2.661 1.502 10.005 777 HE1 TYR 107 1HE TYR 107 0.288 4.876 7.975 778 HE2 TYR 107 2HE TYR 107 -3.199 3.888 10.225 779 HH TYR 107 HH TYR 107 -1.750 6.281 8.375 780 H VAL 108 HN VAL 108 0.223 -1.316 5.536 781 HA VAL 108 HA VAL 108 0.482 -3.955 6.783 782 HB VAL 108 HB VAL 108 1.183 -3.078 3.970 783 HG11 VAL 108 1HG1 VAL 108 1.119 -5.836 5.199 784 HG12 VAL 108 2HG1 VAL 108 2.568 -4.946 4.737 785 HG13 VAL 108 3HG1 VAL 108 1.427 -5.470 3.499 786 HG21 VAL 108 3HG2 VAL 108 -1.141 -4.708 4.989 787 HG22 VAL 108 1HG2 VAL 108 -0.784 -4.357 3.298 788 HG23 VAL 108 2HG2 VAL 108 -1.223 -3.049 4.397 789 H ILE 109 HN ILE 109 2.205 -4.343 7.931 790 HA ILE 109 HA ILE 109 4.673 -2.873 7.320 791 HB ILE 109 HB ILE 109 3.842 -4.129 9.944 792 HG12 ILE 109 2HG1 ILE 109 4.059 -1.226 9.118 793 HG13 ILE 109 1HG1 ILE 109 2.560 -2.102 9.392 794 HG21 ILE 109 1HG2 ILE 109 6.266 -2.484 9.211 795 HG22 ILE 109 2HG2 ILE 109 6.251 -4.203 9.606 796 HG23 ILE 109 3HG2 ILE 109 5.844 -3.012 10.840 797 HD11 ILE 109 3HD1 ILE 109 3.146 -0.672 11.276 798 HD12 ILE 109 1HD1 ILE 109 4.662 -1.551 11.465 799 HD13 ILE 109 2HD1 ILE 109 3.127 -2.376 11.734 800 H VAL 110 HN VAL 110 6.292 -4.019 6.543 801 HA VAL 110 HA VAL 110 6.298 -6.929 6.975 802 HB VAL 110 HB VAL 110 5.886 -6.483 4.638 803 HG11 VAL 110 1HG1 VAL 110 7.491 -5.227 3.255 804 HG12 VAL 110 2HG1 VAL 110 8.364 -4.771 4.718 805 HG13 VAL 110 3HG1 VAL 110 6.705 -4.223 4.471 806 HG21 VAL 110 3HG2 VAL 110 8.759 -7.323 5.045 807 HG22 VAL 110 1HG2 VAL 110 7.792 -7.628 3.601 808 HG23 VAL 110 2HG2 VAL 110 7.348 -8.376 5.135 809 H SER 111 HN SER 111 8.122 -7.875 7.665 810 HA SER 111 HA SER 111 10.298 -6.104 8.485 811 HB2 SER 111 2HB SER 111 9.232 -7.734 10.094 812 HB3 SER 111 1HB SER 111 9.919 -9.036 9.122 813 HG SER 111 HG SER 111 11.123 -8.132 11.058 814 H VAL 112 HN VAL 112 11.750 -5.802 6.901 815 HA VAL 112 HA VAL 112 12.499 -8.125 5.257 816 HB VAL 112 HB VAL 112 13.013 -5.218 4.610 817 HG11 VAL 112 1HG1 VAL 112 14.539 -6.818 3.553 818 HG12 VAL 112 2HG1 VAL 112 13.485 -6.041 2.372 819 HG13 VAL 112 3HG1 VAL 112 13.159 -7.694 2.894 820 HG21 VAL 112 3HG2 VAL 112 11.177 -5.422 2.994 821 HG22 VAL 112 1HG2 VAL 112 10.622 -5.601 4.656 822 HG23 VAL 112 2HG2 VAL 112 10.807 -7.024 3.629 823 H ARG 113 HN ARG 113 14.341 -9.042 5.779 824 HA ARG 113 HA ARG 113 16.225 -7.578 7.465 825 HB2 ARG 113 2HB ARG 113 15.418 -9.791 8.194 826 HB3 ARG 113 1HB ARG 113 16.098 -10.514 6.744 827 HG2 ARG 113 2HG ARG 113 18.318 -10.075 7.462 828 HG3 ARG 113 1HG ARG 113 17.753 -9.046 8.779 829 HD2 ARG 113 2HD ARG 113 17.249 -12.010 8.523 830 HD3 ARG 113 1HD ARG 113 18.434 -11.256 9.591 831 HE ARG 113 HE ARG 113 16.504 -10.160 10.700 832 HH11 ARG 113 1HH1 ARG 113 16.091 -13.208 9.019 833 HH12 ARG 113 2HH1 ARG 113 14.577 -13.571 9.796 834 HH21 ARG 113 1HH2 ARG 113 14.547 -10.637 11.732 835 HH22 ARG 113 2HH2 ARG 113 13.724 -12.130 11.370 836 H ASP 114 HN ASP 114 17.131 -6.253 5.881 837 HA ASP 114 HA ASP 114 18.859 -5.630 4.553 838 HB2 ASP 114 2HB ASP 114 20.115 -7.148 6.057 839 HB3 ASP 114 1HB ASP 114 19.814 -8.469 4.938 840 H GLY 115 HN GLY 115 16.453 -7.337 3.530 841 HA2 GLY 115 2HA GLY 115 16.226 -6.991 0.991 842 HA3 GLY 115 1HA GLY 115 17.584 -8.107 0.930 843 H ALA 116 HN ALA 116 16.418 -9.500 3.353 844 HA ALA 116 HA ALA 116 14.577 -11.184 1.819 845 HB1 ALA 116 1HB ALA 116 15.065 -12.934 3.428 846 HB2 ALA 116 2HB ALA 116 16.012 -11.806 4.398 847 HB3 ALA 116 3HB ALA 116 16.563 -12.262 2.785 848 HA PRO 117 HA PRO 117 11.377 -9.376 4.472 849 HB2 PRO 117 2HB PRO 117 9.521 -10.523 2.547 850 HB3 PRO 117 1HB PRO 117 9.818 -8.825 2.921 851 HG2 PRO 117 2HG PRO 117 10.515 -9.963 0.555 852 HG3 PRO 117 1HG PRO 117 11.398 -8.604 1.271 853 HD2 PRO 117 2HD PRO 117 12.078 -11.522 1.288 854 HD3 PRO 117 1HD PRO 117 13.142 -10.118 1.049 855 H GLU 118 HN GLU 118 11.028 -10.557 6.244 856 HA GLU 118 HA GLU 118 10.639 -13.430 6.020 857 HB2 GLU 118 2HB GLU 118 12.184 -12.517 7.726 858 HB3 GLU 118 1HB GLU 118 10.829 -11.706 8.499 859 HG2 GLU 118 2HG GLU 118 9.793 -13.831 8.997 860 HG3 GLU 118 1HG GLU 118 11.073 -14.681 8.139 861 H ALA 119 HN ALA 119 9.016 -10.913 7.939 862 HA ALA 119 HA ALA 119 6.557 -12.504 7.716 863 HB1 ALA 119 1HB ALA 119 7.458 -12.344 9.984 864 HB2 ALA 119 2HB ALA 119 5.882 -11.565 9.852 865 HB3 ALA 119 3HB ALA 119 7.348 -10.585 9.901 866 H LEU 120 HN LEU 120 4.886 -11.686 6.716 867 HA LEU 120 HA LEU 120 4.677 -8.786 6.298 868 HB2 LEU 120 2HB LEU 120 3.573 -11.184 4.881 869 HB3 LEU 120 1HB LEU 120 2.716 -9.660 4.773 870 HG LEU 120 HG LEU 120 5.622 -9.888 4.028 871 HD11 LEU 120 1HD1 LEU 120 3.229 -10.265 2.228 872 HD12 LEU 120 2HD1 LEU 120 4.392 -11.512 2.680 873 HD13 LEU 120 3HD1 LEU 120 4.908 -10.137 1.704 874 HD21 LEU 120 3HD2 LEU 120 4.769 -7.649 4.404 875 HD22 LEU 120 1HD2 LEU 120 3.424 -7.955 3.304 876 HD23 LEU 120 2HD2 LEU 120 5.075 -7.903 2.685 877 H THR 121 HN THR 121 3.321 -7.711 7.612 878 HA THR 121 HA THR 121 0.997 -9.159 8.682 879 HB THR 121 HB THR 121 1.317 -7.830 10.831 880 HG1 THR 121 1HG THR 121 3.326 -6.801 9.457 881 HG21 THR 121 3HG2 THR 121 1.762 -10.227 10.735 882 HG22 THR 121 1HG2 THR 121 2.936 -9.419 11.771 883 HG23 THR 121 2HG2 THR 121 3.394 -9.918 10.142 884 H ALA 122 HN ALA 122 -0.880 -8.053 8.622 885 HA ALA 122 HA ALA 122 -0.739 -5.236 7.800 886 HB1 ALA 122 1HB ALA 122 -1.809 -6.742 6.156 887 HB2 ALA 122 2HB ALA 122 -2.932 -5.535 6.781 888 HB3 ALA 122 3HB ALA 122 -3.007 -7.196 7.369 889 H TRP 123 HN TRP 123 -1.946 -3.737 8.844 890 HA TRP 123 HA TRP 123 -3.259 -4.591 11.327 891 HB2 TRP 123 2HB TRP 123 -1.243 -2.348 11.061 892 HB3 TRP 123 1HB TRP 123 -2.103 -2.797 12.533 893 HD1 TRP 123 1HD TRP 123 0.809 -3.889 10.302 894 HE1 TRP 123 1HE TRP 123 2.198 -5.657 11.586 895 HE3 TRP 123 3HE TRP 123 -2.335 -4.671 14.251 896 HZ2 TRP 123 2HZ TRP 123 1.962 -7.183 13.957 897 HZ3 TRP 123 3HZ TRP 123 -1.720 -6.309 15.966 898 HH2 TRP 123 2HH TRP 123 0.414 -7.540 15.829 899 H ALA 124 HN ALA 124 -5.056 -3.486 11.834 900 HA ALA 124 HA ALA 124 -5.769 -1.227 10.095 901 HB1 ALA 124 1HB ALA 124 -7.337 -3.110 10.092 902 HB2 ALA 124 2HB ALA 124 -8.079 -1.651 10.745 903 HB3 ALA 124 3HB ALA 124 -7.555 -2.938 11.833 904 H LEU 125 HN LEU 125 -5.785 0.755 10.919 905 HA LEU 125 HA LEU 125 -5.288 1.148 13.746 906 HB2 LEU 125 2HB LEU 125 -4.078 2.501 12.106 907 HB3 LEU 125 1HB LEU 125 -5.591 3.115 11.469 908 HG LEU 125 HG LEU 125 -6.032 4.228 13.633 909 HD11 LEU 125 1HD1 LEU 125 -4.769 2.742 15.088 910 HD12 LEU 125 2HD1 LEU 125 -4.239 4.414 15.279 911 HD13 LEU 125 3HD1 LEU 125 -3.262 3.281 14.345 912 HD21 LEU 125 3HD2 LEU 125 -4.389 5.997 13.381 913 HD22 LEU 125 1HD2 LEU 125 -4.936 5.433 11.803 914 HD23 LEU 125 2HD2 LEU 125 -3.364 4.929 12.422 915 H ALA 126 HN ALA 126 -6.878 1.297 15.151 916 HA ALA 126 HA ALA 126 -9.601 1.498 14.440 917 HB1 ALA 126 1HB ALA 126 -9.998 1.784 16.850 918 HB2 ALA 126 2HB ALA 126 -8.267 2.015 17.098 919 HB3 ALA 126 3HB ALA 126 -8.877 0.462 16.527 920 HA PRO 127 HA PRO 127 -10.099 5.917 13.853 921 HB2 PRO 127 2HB PRO 127 -12.709 5.523 15.224 922 HB3 PRO 127 1HB PRO 127 -12.368 6.237 13.644 923 HG2 PRO 127 2HG PRO 127 -13.439 3.806 13.832 924 HG3 PRO 127 1HG PRO 127 -12.217 4.167 12.599 925 HD2 PRO 127 2HD PRO 127 -11.923 2.693 15.188 926 HD3 PRO 127 1HD PRO 127 -11.193 2.350 13.605 927 H ASP 128 HN ASP 128 -10.654 4.300 16.862 928 HA ASP 128 HA ASP 128 -10.671 6.534 18.607 929 HB2 ASP 128 2HB ASP 128 -11.528 4.299 19.203 930 HB3 ASP 128 1HB ASP 128 -9.900 3.643 19.089 931 H ARG 129 HN ARG 129 -8.237 4.811 16.941 932 HA ARG 129 HA ARG 129 -5.996 4.913 16.772 933 HB2 ARG 129 2HB ARG 129 -6.763 7.264 16.118 934 HB3 ARG 129 1HB ARG 129 -6.176 7.771 17.700 935 HG2 ARG 129 2HG ARG 129 -3.962 6.756 17.094 936 HG3 ARG 129 1HG ARG 129 -4.589 6.537 15.463 937 HD2 ARG 129 2HD ARG 129 -4.871 8.925 15.211 938 HD3 ARG 129 1HD ARG 129 -4.372 9.188 16.885 939 HE ARG 129 HE ARG 129 -2.496 7.823 15.109 940 HH11 ARG 129 1HH1 ARG 129 -3.409 10.836 16.657 941 HH12 ARG 129 2HH1 ARG 129 -1.791 11.474 16.620 942 HH21 ARG 129 1HH2 ARG 129 -0.386 8.652 15.099 943 HH22 ARG 129 2HH2 ARG 129 -0.079 10.237 15.754 944 H SER 130 HN SER 130 -6.905 4.024 19.385 945 HA SER 130 HA SER 130 -4.704 4.967 21.054 946 HB2 SER 130 2HB SER 130 -6.956 3.049 21.680 947 HB3 SER 130 1HB SER 130 -5.721 3.567 22.828 948 HG SER 130 HG SER 130 -7.958 4.889 21.902 949 H GLU 131 HN GLU 131 -5.326 2.575 18.772 950 HA GLU 131 HA GLU 131 -2.845 1.286 19.160 951 HB2 GLU 131 2HB GLU 131 -3.575 -0.918 19.851 952 HB3 GLU 131 1HB GLU 131 -4.070 0.261 21.058 953 HG2 GLU 131 2HG GLU 131 -6.330 0.274 20.046 954 HG3 GLU 131 1HG GLU 131 -5.810 -1.008 18.958 955 H PHE 132 HN PHE 132 -2.707 -0.710 17.786 956 HA PHE 132 HA PHE 132 -4.356 -0.458 15.371 957 HB2 PHE 132 2HB PHE 132 -1.622 -1.697 15.801 958 HB3 PHE 132 1HB PHE 132 -2.527 -1.822 14.299 959 HD1 PHE 132 2HD PHE 132 -0.621 0.403 16.490 960 HD2 PHE 132 1HD PHE 132 -2.735 0.054 12.816 961 HE1 PHE 132 2HE PHE 132 0.380 2.512 15.715 962 HE2 PHE 132 1HE PHE 132 -1.737 2.161 12.037 963 HZ PHE 132 HZ PHE 132 -0.177 3.392 13.487 964 H HIS 133 HN HIS 133 -5.089 -2.475 14.406 965 HA HIS 133 HA HIS 133 -5.204 -4.674 16.362 966 HB2 HIS 133 2HB HIS 133 -7.381 -3.757 14.472 967 HB3 HIS 133 1HB HIS 133 -7.447 -5.247 15.400 968 HD1 HIS 133 1HD HIS 133 -8.218 -5.093 17.805 969 HD2 HIS 133 2HD HIS 133 -7.606 -1.370 16.046 970 HE1 HIS 133 1HE HIS 133 -9.154 -3.416 19.423 971 HE2 HIS 133 2HE HIS 133 -8.938 -1.192 18.266 972 H ARG 134 HN ARG 134 -4.927 -6.688 15.639 973 HA ARG 134 HA ARG 134 -3.328 -7.041 13.360 974 HB2 ARG 134 2HB ARG 134 -3.050 -8.549 15.177 975 HB3 ARG 134 1HB ARG 134 -4.755 -8.967 15.180 976 HG2 ARG 134 2HG ARG 134 -3.627 -10.803 14.246 977 HG3 ARG 134 1HG ARG 134 -4.415 -9.965 12.922 978 HD2 ARG 134 2HD ARG 134 -2.254 -8.845 12.418 979 HD3 ARG 134 1HD ARG 134 -1.498 -9.861 13.649 980 HE ARG 134 HE ARG 134 -2.782 -10.890 11.196 981 HH11 ARG 134 1HH1 ARG 134 -0.370 -11.116 13.734 982 HH12 ARG 134 2HH1 ARG 134 0.351 -12.555 13.090 983 HH21 ARG 134 1HH2 ARG 134 -1.858 -12.794 10.356 984 HH22 ARG 134 2HH2 ARG 134 -0.475 -13.495 11.149 985 H GLU 135 HN GLU 135 -3.715 -7.665 11.376 986 HA GLU 135 HA GLU 135 -6.410 -8.507 10.575 987 HB2 GLU 135 2HB GLU 135 -6.202 -6.166 9.939 988 HB3 GLU 135 1HB GLU 135 -4.635 -6.470 9.212 989 HG2 GLU 135 2HG GLU 135 -6.249 -6.224 7.476 990 HG3 GLU 135 1HG GLU 135 -5.722 -7.903 7.530 991 H ASP 136 HN ASP 136 -6.367 -9.805 8.607 992 HA ASP 136 HA ASP 136 -3.714 -10.944 8.032 993 HB2 ASP 136 2HB ASP 136 -6.288 -12.405 8.579 994 HB3 ASP 136 1HB ASP 136 -5.024 -13.139 7.599 995 H ILE 137 HN ILE 137 -3.644 -12.082 5.936 996 HA ILE 137 HA ILE 137 -4.940 -10.436 3.941 997 HB ILE 137 HB ILE 137 -2.994 -12.723 3.602 998 HG12 ILE 137 2HG1 ILE 137 -1.982 -10.848 4.789 999 HG13 ILE 137 1HG1 ILE 137 -1.341 -10.943 3.152 1000 HG21 ILE 137 1HG2 ILE 137 -4.355 -12.405 1.625 1001 HG22 ILE 137 2HG2 ILE 137 -2.714 -11.828 1.327 1002 HG23 ILE 137 3HG2 ILE 137 -4.008 -10.675 1.643 1003 HD11 ILE 137 3HD1 ILE 137 -3.462 -9.020 4.106 1004 HD12 ILE 137 1HD1 ILE 137 -2.796 -9.105 2.474 1005 HD13 ILE 137 2HD1 ILE 137 -1.763 -8.642 3.824 1006 H VAL 138 HN VAL 138 -6.874 -10.944 3.197 1007 HA VAL 138 HA VAL 138 -7.639 -13.782 3.202 1008 HB VAL 138 HB VAL 138 -10.027 -12.851 3.436 1009 HG11 VAL 138 1HG1 VAL 138 -9.828 -12.874 5.903 1010 HG12 VAL 138 2HG1 VAL 138 -8.074 -12.781 5.741 1011 HG13 VAL 138 3HG1 VAL 138 -8.942 -14.196 5.145 1012 HG21 VAL 138 3HG2 VAL 138 -10.207 -10.773 4.697 1013 HG22 VAL 138 1HG2 VAL 138 -9.472 -10.502 3.117 1014 HG23 VAL 138 2HG2 VAL 138 -8.464 -10.536 4.565 1015 H ARG 139 HN ARG 139 -8.358 -14.624 1.423 1016 HA ARG 139 HA ARG 139 -9.041 -12.960 -0.867 1017 HB2 ARG 139 2HB ARG 139 -8.804 -15.972 -0.549 1018 HB3 ARG 139 1HB ARG 139 -9.124 -15.142 -2.060 1019 HG2 ARG 139 2HG ARG 139 -6.972 -14.081 -2.004 1020 HG3 ARG 139 1HG ARG 139 -6.653 -14.734 -0.400 1021 HD2 ARG 139 2HD ARG 139 -7.035 -16.370 -2.903 1022 HD3 ARG 139 1HD ARG 139 -5.483 -15.969 -2.176 1023 HE ARG 139 HE ARG 139 -7.532 -17.690 -0.927 1024 HH11 ARG 139 1HH1 ARG 139 -4.197 -16.697 -1.320 1025 HH12 ARG 139 2HH1 ARG 139 -3.561 -18.013 -0.389 1026 HH21 ARG 139 1HH2 ARG 139 -6.706 -19.422 0.287 1027 HH22 ARG 139 2HH2 ARG 139 -4.987 -19.565 0.538 1028 HA PRO 140 HA PRO 140 -12.983 -13.084 1.149 1029 HB2 PRO 140 2HB PRO 140 -14.287 -11.333 -0.438 1030 HB3 PRO 140 1HB PRO 140 -13.044 -10.832 0.717 1031 HG2 PRO 140 2HG PRO 140 -12.811 -11.287 -2.236 1032 HG3 PRO 140 1HG PRO 140 -12.168 -9.953 -1.259 1033 HD2 PRO 140 2HD PRO 140 -10.648 -12.051 -2.055 1034 HD3 PRO 140 1HD PRO 140 -10.374 -11.197 -0.521 1035 H ASP 141 HN ASP 141 -15.032 -13.895 0.952 1036 HA ASP 141 HA ASP 141 -15.695 -15.351 -1.487 1037 HB2 ASP 141 2HB ASP 141 -17.132 -15.217 1.179 1038 HB3 ASP 141 1HB ASP 141 -17.599 -16.241 -0.172 1039 HA PRO 142 HA PRO 142 -17.700 -11.579 -2.722 1040 HB2 PRO 142 2HB PRO 142 -18.749 -12.554 -5.060 1041 HB3 PRO 142 1HB PRO 142 -17.084 -11.992 -4.872 1042 HG2 PRO 142 2HG PRO 142 -18.163 -14.774 -4.839 1043 HG3 PRO 142 1HG PRO 142 -16.670 -14.156 -5.571 1044 HD2 PRO 142 2HD PRO 142 -16.685 -15.468 -3.217 1045 HD3 PRO 142 1HD PRO 142 -15.527 -14.175 -3.563 1046 H GLU 143 HN GLU 143 -19.514 -10.791 -2.237 1047 HA GLU 143 HA GLU 143 -21.647 -10.429 -1.640 1048 HB2 GLU 143 2HB GLU 143 -21.814 -12.309 -3.927 1049 HB3 GLU 143 1HB GLU 143 -23.282 -11.822 -3.094 1050 HG2 GLU 143 2HG GLU 143 -22.512 -10.487 -5.137 1051 HG3 GLU 143 1HG GLU 143 -23.066 -9.608 -3.723 1052 H ALA 144 HN ALA 144 -20.321 -12.324 -0.019 1053 HA ALA 144 HA ALA 144 -22.458 -14.058 0.917 1054 HB1 ALA 144 1HB ALA 144 -19.822 -13.383 2.236 1055 HB2 ALA 144 2HB ALA 144 -20.105 -14.761 1.172 1056 HB3 ALA 144 3HB ALA 144 -20.944 -14.657 2.719 1057 HA PRO 145 HA PRO 145 -24.082 -10.262 2.659 1058 HB2 PRO 145 2HB PRO 145 -26.419 -11.853 3.382 1059 HB3 PRO 145 1HB PRO 145 -26.287 -10.520 2.235 1060 HG2 PRO 145 2HG PRO 145 -26.693 -13.081 1.460 1061 HG3 PRO 145 1HG PRO 145 -25.807 -11.905 0.473 1062 HD2 PRO 145 2HD PRO 145 -24.752 -14.095 2.217 1063 HD3 PRO 145 1HD PRO 145 -24.190 -13.549 0.624 1064 H LEU 146 HN LEU 146 -23.975 -9.406 4.623 1065 HA LEU 146 HA LEU 146 -23.952 -11.194 6.948 1066 HB2 LEU 146 2HB LEU 146 -22.956 -8.364 6.593 1067 HB3 LEU 146 1HB LEU 146 -22.939 -9.235 8.107 1068 HG LEU 146 HG LEU 146 -21.407 -10.006 5.637 1069 HD11 LEU 146 1HD1 LEU 146 -20.498 -8.792 8.243 1070 HD12 LEU 146 2HD1 LEU 146 -20.513 -8.001 6.666 1071 HD13 LEU 146 3HD1 LEU 146 -19.434 -9.367 6.958 1072 HD21 LEU 146 3HD2 LEU 146 -20.329 -11.658 7.074 1073 HD22 LEU 146 1HD2 LEU 146 -22.064 -11.948 6.957 1074 HD23 LEU 146 2HD2 LEU 146 -21.391 -11.198 8.405 1075 H GLU 147 HN GLU 147 -25.115 -8.003 5.904 1076 HA GLU 147 HA GLU 147 -27.426 -8.358 7.663 1077 HB2 GLU 147 2HB GLU 147 -25.907 -6.530 8.345 1078 HB3 GLU 147 1HB GLU 147 -26.142 -5.770 6.776 1079 HG2 GLU 147 2HG GLU 147 -28.411 -5.336 7.220 1080 HG3 GLU 147 1HG GLU 147 -28.395 -6.382 8.637 1081 H HIS 148 HN HIS 148 -28.415 -9.500 5.920 1082 HA HIS 148 HA HIS 148 -29.259 -7.864 3.642 1083 HB2 HIS 148 2HB HIS 148 -28.422 -10.214 3.294 1084 HB3 HIS 148 1HB HIS 148 -29.827 -10.791 4.183 1085 HD1 HIS 148 1HD HIS 148 -29.229 -8.547 1.149 1086 HD2 HIS 148 2HD HIS 148 -31.833 -11.488 2.522 1087 HE1 HIS 148 1HE HIS 148 -30.828 -8.983 -0.747 1088 HE2 HIS 148 2HE HIS 148 -32.230 -10.927 0.029 1089 H HIS 149 HN HIS 149 -30.171 -8.687 6.709 1090 HA HIS 149 HA HIS 149 -32.993 -8.036 6.210 1091 HB2 HIS 149 2HB HIS 149 -32.923 -10.289 6.989 1092 HB3 HIS 149 1HB HIS 149 -31.708 -9.909 8.199 1093 HD1 HIS 149 1HD HIS 149 -32.516 -9.296 10.479 1094 HD2 HIS 149 2HD HIS 149 -35.573 -9.352 7.661 1095 HE1 HIS 149 1HE HIS 149 -34.650 -9.069 11.789 1096 HE2 HIS 149 2HE HIS 149 -36.484 -9.324 10.083 1097 H HIS 150 HN HIS 150 -33.789 -6.313 7.310 1098 HA HIS 150 HA HIS 150 -33.906 -4.511 8.693 1099 HB2 HIS 150 2HB HIS 150 -33.515 -6.019 10.546 1100 HB3 HIS 150 1HB HIS 150 -31.786 -6.013 10.243 1101 HD1 HIS 150 1HD HIS 150 -30.600 -4.730 11.944 1102 HD2 HIS 150 2HD HIS 150 -34.338 -3.093 11.122 1103 HE1 HIS 150 1HE HIS 150 -30.831 -2.752 13.481 1104 HE2 HIS 150 2HE HIS 150 -33.004 -1.665 12.828 1105 H HIS 151 HN HIS 151 -33.208 -3.264 6.945 1106 HA HIS 151 HA HIS 151 -30.330 -2.738 6.675 1107 HB2 HIS 151 2HB HIS 151 -32.692 -2.402 4.866 1108 HB3 HIS 151 1HB HIS 151 -31.229 -1.477 4.572 1109 HD1 HIS 151 1HD HIS 151 -32.809 -4.449 3.523 1110 HD2 HIS 151 2HD HIS 151 -28.887 -3.411 4.428 1111 HE1 HIS 151 1HE HIS 151 -31.376 -6.139 2.343 1112 HE2 HIS 151 2HE HIS 151 -29.011 -5.353 2.725 1113 H HIS 152 HN HIS 152 -29.664 -0.525 6.124 1114 HA HIS 152 HA HIS 152 -31.276 1.548 7.439 1115 HB2 HIS 152 2HB HIS 152 -28.397 1.399 6.574 1116 HB3 HIS 152 1HB HIS 152 -29.168 2.960 6.839 1117 HD1 HIS 152 1HD HIS 152 -27.461 0.246 8.590 1118 HD2 HIS 152 2HD HIS 152 -30.135 3.285 9.570 1119 HE1 HIS 152 1HE HIS 152 -27.325 0.500 11.092 1120 HE2 HIS 152 2HE HIS 152 -29.083 2.210 11.672 1121 H HIS 153 HN HIS 153 -31.603 3.575 6.236 1122 HA HIS 153 HA HIS 153 -31.649 3.113 3.336 1123 HB2 HIS 153 2HB HIS 153 -33.832 4.249 5.079 1124 HB3 HIS 153 1HB HIS 153 -33.780 4.527 3.342 1125 HD1 HIS 153 1HD HIS 153 -34.505 2.629 1.817 1126 HD2 HIS 153 2HD HIS 153 -34.347 1.541 5.834 1127 HE1 HIS 153 1HE HIS 153 -35.618 0.375 1.961 1128 HE2 HIS 153 2HE HIS 153 -35.514 -0.270 4.395 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -8.618 -5.872 5.707 2 H2 MET 1 H2 MET 1 -8.265 -7.517 5.554 3 H3 MET 1 H3 MET 1 -9.721 -6.893 4.930 4 HA MET 1 HA MET 1 -8.488 -5.545 3.349 5 HB2 MET 1 2HB MET 1 -6.431 -5.259 4.588 6 HB3 MET 1 1HB MET 1 -6.128 -6.991 4.566 7 HG2 MET 1 2HG MET 1 -5.872 -6.906 2.132 8 HG3 MET 1 1HG MET 1 -6.142 -5.164 2.173 9 HE1 MET 1 2HE MET 1 -3.818 -4.921 0.795 10 HE2 MET 1 3HE MET 1 -3.582 -6.667 0.864 11 HE3 MET 1 1HE MET 1 -2.285 -5.582 1.366 12 H LYS 2 HN LYS 2 -9.077 -6.390 1.469 13 HA LYS 2 HA LYS 2 -8.655 -9.278 1.032 14 HB2 LYS 2 2HB LYS 2 -10.765 -7.388 0.063 15 HB3 LYS 2 1HB LYS 2 -10.341 -8.776 -0.927 16 HG2 LYS 2 2HG LYS 2 -12.153 -9.494 0.333 17 HG3 LYS 2 1HG LYS 2 -10.758 -10.173 1.164 18 HD2 LYS 2 2HD LYS 2 -10.823 -8.299 2.754 19 HD3 LYS 2 1HD LYS 2 -12.271 -7.688 1.952 20 HE2 LYS 2 2HE LYS 2 -13.457 -9.750 2.513 21 HE3 LYS 2 1HE LYS 2 -12.003 -10.385 3.282 22 HZ1 LYS 2 3HZ LYS 2 -12.188 -8.219 4.683 23 HZ2 LYS 2 1HZ LYS 2 -13.160 -9.559 5.066 24 HZ3 LYS 2 2HZ LYS 2 -13.814 -8.259 4.203 25 H THR 3 HN THR 3 -7.162 -9.838 -0.357 26 HA THR 3 HA THR 3 -6.819 -8.473 -2.854 27 HB THR 3 HB THR 3 -5.359 -7.116 -1.308 28 HG1 THR 3 1HG THR 3 -4.575 -6.851 -3.268 29 HG21 THR 3 3HG2 THR 3 -3.725 -9.648 -1.216 30 HG22 THR 3 1HG2 THR 3 -4.577 -8.916 0.142 31 HG23 THR 3 2HG2 THR 3 -3.221 -8.071 -0.606 32 H THR 4 HN THR 4 -4.847 -9.628 -4.052 33 HA THR 4 HA THR 4 -5.404 -12.480 -3.703 34 HB THR 4 HB THR 4 -4.342 -12.683 -5.980 35 HG1 THR 4 1HG THR 4 -4.217 -10.639 -7.148 36 HG21 THR 4 3HG2 THR 4 -6.765 -12.618 -5.725 37 HG22 THR 4 1HG2 THR 4 -6.281 -11.748 -7.181 38 HG23 THR 4 2HG2 THR 4 -6.737 -10.855 -5.729 39 HA PRO 5 HA PRO 5 -1.361 -13.615 -2.242 40 HB2 PRO 5 2HB PRO 5 -0.932 -15.820 -3.869 41 HB3 PRO 5 1HB PRO 5 -1.828 -15.836 -2.352 42 HG2 PRO 5 2HG PRO 5 -2.853 -15.696 -5.149 43 HG3 PRO 5 1HG PRO 5 -3.502 -16.586 -3.761 44 HD2 PRO 5 2HD PRO 5 -4.618 -14.303 -4.589 45 HD3 PRO 5 1HD PRO 5 -4.509 -14.702 -2.862 46 H ASP 6 HN ASP 6 -2.007 -13.281 -5.649 47 HA ASP 6 HA ASP 6 0.592 -13.236 -6.673 48 HB2 ASP 6 2HB ASP 6 -1.513 -13.273 -8.023 49 HB3 ASP 6 1HB ASP 6 -1.740 -11.578 -7.614 50 H ILE 7 HN ILE 7 -1.451 -10.577 -5.521 51 HA ILE 7 HA ILE 7 0.449 -8.520 -5.766 52 HB ILE 7 HB ILE 7 -1.850 -8.771 -3.811 53 HG12 ILE 7 2HG1 ILE 7 -2.506 -8.857 -6.200 54 HG13 ILE 7 1HG1 ILE 7 -3.111 -7.418 -5.385 55 HG21 ILE 7 1HG2 ILE 7 -0.236 -7.124 -3.040 56 HG22 ILE 7 2HG2 ILE 7 -1.716 -6.339 -3.589 57 HG23 ILE 7 3HG2 ILE 7 -0.280 -6.325 -4.612 58 HD11 ILE 7 3HD1 ILE 7 -1.313 -6.100 -6.388 59 HD12 ILE 7 1HD1 ILE 7 -2.302 -6.898 -7.613 60 HD13 ILE 7 2HD1 ILE 7 -0.713 -7.546 -7.205 61 H LEU 8 HN LEU 8 -0.327 -10.721 -3.099 62 HA LEU 8 HA LEU 8 1.290 -9.635 -1.114 63 HB2 LEU 8 2HB LEU 8 0.572 -12.521 -1.621 64 HB3 LEU 8 1HB LEU 8 1.322 -11.937 -0.148 65 HG LEU 8 HG LEU 8 -1.406 -11.137 -1.168 66 HD11 LEU 8 1HD1 LEU 8 -0.583 -12.884 1.150 67 HD12 LEU 8 2HD1 LEU 8 -1.324 -13.437 -0.353 68 HD13 LEU 8 3HD1 LEU 8 -2.232 -12.403 0.750 69 HD21 LEU 8 3HD2 LEU 8 -1.635 -10.008 0.989 70 HD22 LEU 8 1HD2 LEU 8 -0.306 -9.329 0.048 71 HD23 LEU 8 2HD2 LEU 8 0.033 -10.424 1.388 72 H ASP 9 HN ASP 9 2.117 -11.940 -3.669 73 HA ASP 9 HA ASP 9 4.764 -12.439 -2.772 74 HB2 ASP 9 2HB ASP 9 3.450 -13.833 -4.439 75 HB3 ASP 9 1HB ASP 9 3.792 -12.585 -5.632 76 H GLN 10 HN GLN 10 3.365 -10.186 -5.087 77 HA GLN 10 HA GLN 10 5.760 -9.010 -5.966 78 HB2 GLN 10 2HB GLN 10 2.934 -7.950 -5.889 79 HB3 GLN 10 1HB GLN 10 4.260 -7.130 -6.701 80 HG2 GLN 10 2HG GLN 10 4.568 -9.090 -8.145 81 HG3 GLN 10 1HG GLN 10 3.217 -9.884 -7.341 82 HE21 GLN 10 1HE2 GLN 10 1.685 -7.408 -7.126 83 HE22 GLN 10 2HE2 GLN 10 1.072 -7.095 -8.709 84 H ILE 11 HN ILE 11 3.733 -8.362 -3.152 85 HA ILE 11 HA ILE 11 4.845 -5.889 -2.420 86 HB ILE 11 HB ILE 11 3.793 -8.044 -0.569 87 HG12 ILE 11 2HG1 ILE 11 2.397 -5.625 -1.728 88 HG13 ILE 11 1HG1 ILE 11 2.167 -7.279 -2.283 89 HG21 ILE 11 1HG2 ILE 11 3.474 -6.239 1.042 90 HG22 ILE 11 2HG2 ILE 11 4.188 -5.091 -0.093 91 HG23 ILE 11 3HG2 ILE 11 5.172 -6.386 0.588 92 HD11 ILE 11 3HD1 ILE 11 1.294 -7.885 -0.074 93 HD12 ILE 11 1HD1 ILE 11 0.355 -6.597 -0.829 94 HD13 ILE 11 2HD1 ILE 11 1.503 -6.215 0.454 95 H ARG 12 HN ARG 12 5.879 -9.213 -1.729 96 HA ARG 12 HA ARG 12 8.055 -8.499 -0.062 97 HB2 ARG 12 2HB ARG 12 7.804 -10.945 -1.816 98 HB3 ARG 12 1HB ARG 12 8.921 -10.740 -0.477 99 HG2 ARG 12 2HG ARG 12 6.878 -10.465 0.997 100 HG3 ARG 12 1HG ARG 12 5.940 -11.049 -0.381 101 HD2 ARG 12 2HD ARG 12 7.969 -12.485 1.282 102 HD3 ARG 12 1HD ARG 12 6.351 -12.997 0.807 103 HE ARG 12 HE ARG 12 8.808 -13.276 -0.718 104 HH11 ARG 12 1HH1 ARG 12 5.307 -13.453 -0.734 105 HH12 ARG 12 2HH1 ARG 12 5.243 -14.360 -2.216 106 HH21 ARG 12 1HH2 ARG 12 8.713 -14.474 -2.658 107 HH22 ARG 12 2HH2 ARG 12 7.165 -14.913 -3.325 108 H VAL 13 HN VAL 13 7.718 -8.977 -3.537 109 HA VAL 13 HA VAL 13 10.386 -8.834 -4.310 110 HB VAL 13 HB VAL 13 7.998 -7.729 -5.811 111 HG11 VAL 13 1HG1 VAL 13 10.729 -8.554 -6.787 112 HG12 VAL 13 2HG1 VAL 13 10.086 -6.913 -6.732 113 HG13 VAL 13 3HG1 VAL 13 9.371 -8.105 -7.817 114 HG21 VAL 13 3HG2 VAL 13 7.927 -9.887 -6.935 115 HG22 VAL 13 1HG2 VAL 13 7.709 -10.082 -5.197 116 HG23 VAL 13 2HG2 VAL 13 9.261 -10.467 -5.940 117 H HIS 14 HN HIS 14 8.071 -6.257 -3.612 118 HA HIS 14 HA HIS 14 9.574 -4.055 -4.396 119 HB2 HIS 14 2HB HIS 14 7.671 -3.085 -3.735 120 HB3 HIS 14 1HB HIS 14 7.197 -4.531 -2.859 121 HD1 HIS 14 1HD HIS 14 8.757 -1.130 -2.340 122 HD2 HIS 14 2HD HIS 14 7.548 -4.425 -0.088 123 HE1 HIS 14 1HE HIS 14 8.812 -0.383 0.055 124 HE2 HIS 14 2HE HIS 14 8.175 -2.406 1.408 125 H GLY 15 HN GLY 15 9.910 -6.088 -1.557 126 HA2 GLY 15 2HA GLY 15 11.404 -4.318 0.053 127 HA3 GLY 15 1HA GLY 15 11.445 -6.074 0.149 128 H ALA 16 HN ALA 16 12.496 -6.855 -2.188 129 HA ALA 16 HA ALA 16 15.251 -6.118 -1.935 130 HB1 ALA 16 1HB ALA 16 15.633 -7.741 -3.723 131 HB2 ALA 16 2HB ALA 16 13.893 -7.870 -3.982 132 HB3 ALA 16 3HB ALA 16 14.600 -8.408 -2.459 133 H ASP 17 HN ASP 17 12.699 -5.529 -4.293 134 HA ASP 17 HA ASP 17 14.297 -4.486 -6.365 135 HB2 ASP 17 2HB ASP 17 11.944 -5.325 -6.555 136 HB3 ASP 17 1HB ASP 17 11.408 -3.851 -5.775 137 H ALA 18 HN ALA 18 12.666 -2.972 -3.669 138 HA ALA 18 HA ALA 18 13.108 -0.306 -4.679 139 HB1 ALA 18 1HB ALA 18 11.977 0.439 -2.682 140 HB2 ALA 18 2HB ALA 18 12.060 -1.188 -2.004 141 HB3 ALA 18 3HB ALA 18 11.082 -0.879 -3.440 142 H TYR 19 HN TYR 19 14.630 -2.424 -2.347 143 HA TYR 19 HA TYR 19 15.914 -0.584 -0.714 144 HB2 TYR 19 2HB TYR 19 16.193 -3.418 -1.308 145 HB3 TYR 19 1HB TYR 19 17.747 -2.668 -0.960 146 HD1 TYR 19 2HD TYR 19 14.351 -2.036 0.458 147 HD2 TYR 19 1HD TYR 19 18.349 -3.301 1.189 148 HE1 TYR 19 2HE TYR 19 13.867 -2.162 2.868 149 HE2 TYR 19 1HE TYR 19 17.876 -3.422 3.594 150 HH TYR 19 HH TYR 19 14.717 -3.261 4.869 151 HA PRO 20 HA PRO 20 17.561 -0.049 0.289 152 HB2 PRO 20 2HB PRO 20 19.166 2.010 0.777 153 HB3 PRO 20 1HB PRO 20 19.822 0.424 0.355 154 HG2 PRO 20 2HG PRO 20 19.557 2.873 -1.323 155 HG3 PRO 20 1HG PRO 20 20.846 1.659 -1.304 156 HD2 PRO 20 2HD PRO 20 18.696 1.783 -3.114 157 HD3 PRO 20 1HD PRO 20 19.798 0.414 -2.885 158 H GLU 21 HN GLU 21 16.436 1.950 -2.155 159 HA GLU 21 HA GLU 21 15.800 4.242 -0.521 160 HB2 GLU 21 2HB GLU 21 15.146 3.565 -3.383 161 HB3 GLU 21 1HB GLU 21 14.645 5.058 -2.596 162 HG2 GLU 21 2HG GLU 21 17.480 4.134 -3.022 163 HG3 GLU 21 1HG GLU 21 16.646 5.408 -3.912 164 H GLU 22 HN GLU 22 13.467 5.139 -0.956 165 HA GLU 22 HA GLU 22 11.448 5.157 0.035 166 HB2 GLU 22 2HB GLU 22 9.762 3.825 -0.974 167 HB3 GLU 22 1HB GLU 22 10.945 4.186 -2.218 168 HG2 GLU 22 2HG GLU 22 11.392 2.033 -2.567 169 HG3 GLU 22 1HG GLU 22 11.450 1.670 -0.842 170 H GLY 23 HN GLY 23 9.781 2.770 0.637 171 HA2 GLY 23 2HA GLY 23 10.484 0.912 2.334 172 HA3 GLY 23 1HA GLY 23 10.953 2.316 3.289 173 H CYS 24 HN CYS 24 8.917 4.048 2.533 174 HA CYS 24 HA CYS 24 6.527 2.717 3.607 175 HB2 CYS 24 2HB CYS 24 5.796 5.024 4.252 176 HB3 CYS 24 1HB CYS 24 7.245 4.481 5.082 177 HG CYS 24 HG CYS 24 8.995 6.000 3.498 178 H GLY 25 HN GLY 25 4.446 3.678 2.756 179 HA2 GLY 25 2HA GLY 25 4.273 5.221 0.450 180 HA3 GLY 25 1HA GLY 25 4.457 3.554 -0.081 181 H PHE 26 HN PHE 26 2.228 4.466 -0.934 182 HA PHE 26 HA PHE 26 0.169 3.995 1.111 183 HB2 PHE 26 2HB PHE 26 0.008 5.610 -1.441 184 HB3 PHE 26 1HB PHE 26 -1.340 5.325 -0.345 185 HD1 PHE 26 2HD PHE 26 -1.128 6.167 2.041 186 HD2 PHE 26 1HD PHE 26 1.469 7.388 -1.097 187 HE1 PHE 26 2HE PHE 26 -0.483 8.149 3.351 188 HE2 PHE 26 1HE PHE 26 2.117 9.371 0.203 189 HZ PHE 26 HZ PHE 26 1.142 9.756 2.429 190 H LEU 27 HN LEU 27 -1.635 2.760 0.610 191 HA LEU 27 HA LEU 27 -1.239 0.831 -1.566 192 HB2 LEU 27 2HB LEU 27 -3.175 0.756 0.755 193 HB3 LEU 27 1HB LEU 27 -2.887 -0.538 -0.394 194 HG LEU 27 HG LEU 27 -0.857 0.517 1.577 195 HD11 LEU 27 1HD1 LEU 27 -2.688 -0.654 2.680 196 HD12 LEU 27 2HD1 LEU 27 -1.196 -1.593 2.747 197 HD13 LEU 27 3HD1 LEU 27 -2.464 -2.031 1.602 198 HD21 LEU 27 3HD2 LEU 27 -0.768 -1.825 -0.320 199 HD22 LEU 27 1HD2 LEU 27 0.435 -1.468 0.919 200 HD23 LEU 27 2HD2 LEU 27 0.195 -0.351 -0.424 201 H LEU 28 HN LEU 28 -2.466 0.928 -3.348 202 HA LEU 28 HA LEU 28 -4.699 2.842 -3.316 203 HB2 LEU 28 2HB LEU 28 -3.112 1.782 -5.657 204 HB3 LEU 28 1HB LEU 28 -4.400 2.968 -5.752 205 HG LEU 28 HG LEU 28 -1.746 3.349 -4.366 206 HD11 LEU 28 1HD1 LEU 28 -1.563 3.324 -6.798 207 HD12 LEU 28 2HD1 LEU 28 -1.300 4.946 -6.157 208 HD13 LEU 28 3HD1 LEU 28 -2.839 4.534 -6.914 209 HD21 LEU 28 3HD2 LEU 28 -4.030 5.278 -4.779 210 HD22 LEU 28 1HD2 LEU 28 -2.452 5.674 -4.098 211 HD23 LEU 28 2HD2 LEU 28 -3.531 4.574 -3.241 212 H GLY 29 HN GLY 29 -6.715 2.204 -3.743 213 HA2 GLY 29 2HA GLY 29 -7.427 0.002 -5.335 214 HA3 GLY 29 1HA GLY 29 -7.412 -0.514 -3.654 215 H THR 30 HN THR 30 -9.636 -0.875 -3.700 216 HA THR 30 HA THR 30 -11.216 1.576 -3.398 217 HB THR 30 HB THR 30 -13.155 0.224 -4.438 218 HG1 THR 30 1HG THR 30 -11.982 -1.135 -6.215 219 HG21 THR 30 3HG2 THR 30 -12.593 0.981 -6.699 220 HG22 THR 30 1HG2 THR 30 -10.912 1.202 -6.210 221 HG23 THR 30 2HG2 THR 30 -12.177 2.202 -5.497 222 H VAL 31 HN VAL 31 -13.145 1.256 -2.043 223 HA VAL 31 HA VAL 31 -12.782 -0.902 -0.117 224 HB VAL 31 HB VAL 31 -14.946 1.201 -0.174 225 HG11 VAL 31 1HG1 VAL 31 -15.206 0.656 2.206 226 HG12 VAL 31 2HG1 VAL 31 -14.006 -0.625 2.028 227 HG13 VAL 31 3HG1 VAL 31 -15.540 -0.725 1.162 228 HG21 VAL 31 3HG2 VAL 31 -12.317 1.213 1.306 229 HG22 VAL 31 1HG2 VAL 31 -13.616 2.385 1.527 230 HG23 VAL 31 2HG2 VAL 31 -12.776 2.282 -0.020 231 H THR 32 HN THR 32 -13.543 -2.813 -0.678 232 HA THR 32 HA THR 32 -15.434 -3.026 -2.827 233 HB THR 32 HB THR 32 -13.600 -4.567 -2.841 234 HG1 THR 32 1HG THR 32 -15.912 -5.255 -3.359 235 HG21 THR 32 3HG2 THR 32 -13.310 -6.308 -1.132 236 HG22 THR 32 1HG2 THR 32 -14.624 -5.600 -0.195 237 HG23 THR 32 2HG2 THR 32 -13.131 -4.694 -0.445 238 H ASP 33 HN ASP 33 -17.460 -3.112 -2.678 239 HA ASP 33 HA ASP 33 -19.603 -3.442 -1.999 240 HB2 ASP 33 2HB ASP 33 -18.560 -5.759 -1.583 241 HB3 ASP 33 1HB ASP 33 -18.610 -5.327 0.118 242 H ASP 34 HN ASP 34 -17.375 -1.982 -0.182 243 HA ASP 34 HA ASP 34 -17.416 -0.473 1.532 244 HB2 ASP 34 2HB ASP 34 -19.611 0.232 0.715 245 HB3 ASP 34 1HB ASP 34 -20.384 -1.066 1.603 246 H GLY 35 HN GLY 35 -17.253 -3.468 1.669 247 HA2 GLY 35 2HA GLY 35 -17.935 -3.883 4.504 248 HA3 GLY 35 1HA GLY 35 -17.661 -5.161 3.332 249 H ASP 36 HN ASP 36 -15.224 -3.661 2.341 250 HA ASP 36 HA ASP 36 -13.356 -3.493 4.470 251 HB2 ASP 36 2HB ASP 36 -13.823 -6.010 4.312 252 HB3 ASP 36 1HB ASP 36 -13.021 -5.957 2.750 253 H ASN 37 HN ASN 37 -11.046 -3.530 3.508 254 HA ASN 37 HA ASN 37 -11.157 -1.806 1.164 255 HB2 ASN 37 2HB ASN 37 -8.884 -2.465 3.047 256 HB3 ASN 37 1HB ASN 37 -8.762 -1.348 1.692 257 HD21 ASN 37 1HD2 ASN 37 -10.005 -1.869 4.878 258 HD22 ASN 37 2HD2 ASN 37 -10.510 -0.242 5.170 259 H ARG 38 HN ARG 38 -10.542 -2.343 -0.785 260 HA ARG 38 HA ARG 38 -9.250 -4.949 -1.214 261 HB2 ARG 38 2HB ARG 38 -11.311 -4.964 -2.339 262 HB3 ARG 38 1HB ARG 38 -11.164 -3.283 -2.823 263 HG2 ARG 38 2HG ARG 38 -9.367 -3.936 -4.393 264 HG3 ARG 38 1HG ARG 38 -9.654 -5.625 -3.956 265 HD2 ARG 38 2HD ARG 38 -11.760 -5.652 -4.930 266 HD3 ARG 38 1HD ARG 38 -11.916 -3.896 -4.877 267 HE ARG 38 HE ARG 38 -9.833 -4.335 -6.578 268 HH11 ARG 38 1HH1 ARG 38 -13.144 -5.475 -6.453 269 HH12 ARG 38 2HH1 ARG 38 -13.316 -5.539 -8.180 270 HH21 ARG 38 1HH2 ARG 38 -10.069 -4.415 -8.860 271 HH22 ARG 38 2HH2 ARG 38 -11.579 -4.957 -9.533 272 H VAL 39 HN VAL 39 -7.114 -4.658 -1.363 273 HA VAL 39 HA VAL 39 -6.059 -2.228 -2.608 274 HB VAL 39 HB VAL 39 -4.583 -4.444 -1.172 275 HG11 VAL 39 1HG1 VAL 39 -3.191 -3.247 -2.791 276 HG12 VAL 39 2HG1 VAL 39 -2.693 -2.908 -1.133 277 HG13 VAL 39 3HG1 VAL 39 -3.630 -1.715 -2.034 278 HG21 VAL 39 3HG2 VAL 39 -5.368 -1.700 -0.192 279 HG22 VAL 39 1HG2 VAL 39 -4.408 -2.882 0.695 280 HG23 VAL 39 2HG2 VAL 39 -6.097 -3.223 0.316 281 H ALA 40 HN ALA 40 -5.602 -2.256 -4.703 282 HA ALA 40 HA ALA 40 -4.944 -4.849 -5.945 283 HB1 ALA 40 1HB ALA 40 -7.141 -3.951 -6.618 284 HB2 ALA 40 2HB ALA 40 -6.016 -4.092 -7.971 285 HB3 ALA 40 3HB ALA 40 -6.335 -2.515 -7.249 286 H ALA 41 HN ALA 41 -3.922 -1.615 -5.409 287 HA ALA 41 HA ALA 41 -1.659 -2.068 -7.226 288 HB1 ALA 41 1HB ALA 41 -3.173 0.525 -6.956 289 HB2 ALA 41 2HB ALA 41 -3.188 -0.547 -8.356 290 HB3 ALA 41 3HB ALA 41 -1.702 0.282 -7.896 291 H LEU 42 HN LEU 42 0.293 -1.366 -6.519 292 HA LEU 42 HA LEU 42 0.402 -0.359 -3.756 293 HB2 LEU 42 2HB LEU 42 2.553 -1.762 -5.351 294 HB3 LEU 42 1HB LEU 42 2.650 -1.302 -3.663 295 HG LEU 42 HG LEU 42 0.752 -3.356 -4.796 296 HD11 LEU 42 1HD1 LEU 42 3.285 -3.677 -3.195 297 HD12 LEU 42 2HD1 LEU 42 3.054 -4.114 -4.889 298 HD13 LEU 42 3HD1 LEU 42 2.172 -4.974 -3.626 299 HD21 LEU 42 3HD2 LEU 42 -0.148 -2.231 -2.829 300 HD22 LEU 42 1HD2 LEU 42 1.342 -2.565 -1.945 301 HD23 LEU 42 2HD2 LEU 42 0.300 -3.894 -2.452 302 H HIS 43 HN HIS 43 1.355 1.590 -3.367 303 HA HIS 43 HA HIS 43 2.780 2.831 -5.627 304 HB2 HIS 43 2HB HIS 43 0.720 4.043 -5.256 305 HB3 HIS 43 1HB HIS 43 1.043 4.150 -3.528 306 HD1 HIS 43 1HD HIS 43 2.384 5.458 -6.824 307 HD2 HIS 43 2HD HIS 43 2.500 6.342 -2.760 308 HE1 HIS 43 1HE HIS 43 3.550 7.685 -6.641 309 HE2 HIS 43 2HE HIS 43 3.777 8.104 -4.158 310 H ARG 44 HN ARG 44 4.842 3.082 -5.272 311 HA ARG 44 HA ARG 44 5.978 2.910 -2.617 312 HB2 ARG 44 2HB ARG 44 7.437 3.591 -5.178 313 HB3 ARG 44 1HB ARG 44 8.109 2.903 -3.707 314 HG2 ARG 44 2HG ARG 44 6.911 0.819 -4.124 315 HG3 ARG 44 1HG ARG 44 6.217 1.509 -5.594 316 HD2 ARG 44 2HD ARG 44 8.580 1.883 -6.393 317 HD3 ARG 44 1HD ARG 44 9.117 0.914 -5.022 318 HE ARG 44 HE ARG 44 7.156 -0.427 -6.618 319 HH11 ARG 44 1HH1 ARG 44 10.565 0.310 -6.331 320 HH12 ARG 44 2HH1 ARG 44 11.073 -1.024 -7.328 321 HH21 ARG 44 1HH2 ARG 44 7.828 -2.184 -7.957 322 HH22 ARG 44 2HH2 ARG 44 9.527 -2.409 -8.264 323 H ALA 45 HN ALA 45 6.688 4.633 -1.411 324 HA ALA 45 HA ALA 45 5.795 7.226 -2.007 325 HB1 ALA 45 1HB ALA 45 6.260 6.482 0.276 326 HB2 ALA 45 2HB ALA 45 7.134 7.964 -0.109 327 HB3 ALA 45 3HB ALA 45 7.982 6.418 -0.094 328 H THR 46 HN THR 46 6.444 8.181 -3.825 329 HA THR 46 HA THR 46 9.287 8.767 -4.148 330 HB THR 46 HB THR 46 7.834 7.919 -6.596 331 HG1 THR 46 1HG THR 46 7.656 6.203 -4.943 332 HG21 THR 46 3HG2 THR 46 10.713 7.738 -5.718 333 HG22 THR 46 1HG2 THR 46 10.027 8.967 -6.779 334 HG23 THR 46 2HG2 THR 46 10.098 7.286 -7.308 335 H ASN 47 HN ASN 47 9.168 10.890 -4.097 336 HA ASN 47 HA ASN 47 6.831 12.286 -5.097 337 HB2 ASN 47 2HB ASN 47 7.748 14.251 -4.007 338 HB3 ASN 47 1HB ASN 47 7.837 12.888 -2.897 339 HD21 ASN 47 1HD2 ASN 47 9.582 15.265 -4.636 340 HD22 ASN 47 2HD2 ASN 47 11.168 14.835 -4.087 341 H ARG 48 HN ARG 48 6.740 13.501 -6.903 342 HA ARG 48 HA ARG 48 9.278 14.157 -8.232 343 HB2 ARG 48 2HB ARG 48 8.192 12.361 -9.518 344 HB3 ARG 48 1HB ARG 48 6.730 13.335 -9.643 345 HG2 ARG 48 2HG ARG 48 7.885 14.995 -10.942 346 HG3 ARG 48 1HG ARG 48 9.417 14.155 -10.721 347 HD2 ARG 48 2HD ARG 48 8.519 12.232 -11.967 348 HD3 ARG 48 1HD ARG 48 7.010 13.117 -12.214 349 HE ARG 48 HE ARG 48 8.676 14.854 -13.257 350 HH11 ARG 48 1HH1 ARG 48 8.693 11.368 -13.626 351 HH12 ARG 48 2HH1 ARG 48 9.508 11.404 -15.153 352 HH21 ARG 48 1HH2 ARG 48 9.723 14.906 -15.287 353 HH22 ARG 48 2HH2 ARG 48 10.085 13.422 -16.111 354 H ARG 49 HN ARG 49 9.519 16.253 -8.065 355 HA ARG 49 HA ARG 49 7.261 17.961 -7.623 356 HB2 ARG 49 2HB ARG 49 9.296 19.723 -7.960 357 HB3 ARG 49 1HB ARG 49 8.882 18.958 -6.437 358 HG2 ARG 49 2HG ARG 49 11.244 18.842 -6.743 359 HG3 ARG 49 1HG ARG 49 10.579 17.217 -6.899 360 HD2 ARG 49 2HD ARG 49 12.288 17.636 -8.584 361 HD3 ARG 49 1HD ARG 49 10.710 17.397 -9.329 362 HE ARG 49 HE ARG 49 10.671 19.967 -9.364 363 HH11 ARG 49 1HH1 ARG 49 13.571 18.017 -9.660 364 HH12 ARG 49 2HH1 ARG 49 14.376 19.153 -10.695 365 HH21 ARG 49 1HH2 ARG 49 11.734 21.457 -10.727 366 HH22 ARG 49 2HH2 ARG 49 13.331 21.082 -11.320 367 H SER 50 HN SER 50 5.987 18.488 -9.203 368 HA SER 50 HA SER 50 7.177 19.425 -11.709 369 HB2 SER 50 2HB SER 50 4.306 18.618 -11.162 370 HB3 SER 50 1HB SER 50 5.010 19.010 -12.725 371 HG SER 50 HG SER 50 5.061 16.821 -12.642 372 H GLU 51 HN GLU 51 7.726 21.450 -10.838 373 HA GLU 51 HA GLU 51 6.273 23.087 -9.211 374 HB2 GLU 51 2HB GLU 51 8.114 23.852 -11.471 375 HB3 GLU 51 1HB GLU 51 7.472 25.009 -10.317 376 HG2 GLU 51 2HG GLU 51 9.534 24.541 -9.428 377 HG3 GLU 51 1HG GLU 51 8.497 23.429 -8.539 378 H GLN 52 HN GLN 52 4.183 23.467 -9.426 379 HA GLN 52 HA GLN 52 2.929 24.047 -11.929 380 HB2 GLN 52 2HB GLN 52 1.992 24.126 -9.066 381 HB3 GLN 52 1HB GLN 52 0.967 24.636 -10.400 382 HG2 GLN 52 2HG GLN 52 2.190 21.902 -10.089 383 HG3 GLN 52 1HG GLN 52 0.524 22.333 -9.703 384 HE21 GLN 52 1HE2 GLN 52 1.524 20.382 -11.627 385 HE22 GLN 52 2HE2 GLN 52 0.887 20.859 -13.169 386 H ARG 53 HN ARG 53 2.240 25.971 -12.709 387 HA ARG 53 HA ARG 53 3.675 28.307 -11.869 388 HB2 ARG 53 2HB ARG 53 3.005 27.650 -14.251 389 HB3 ARG 53 1HB ARG 53 1.392 28.212 -13.841 390 HG2 ARG 53 2HG ARG 53 2.241 30.445 -13.435 391 HG3 ARG 53 1HG ARG 53 3.888 29.898 -13.757 392 HD2 ARG 53 2HD ARG 53 3.077 29.177 -16.030 393 HD3 ARG 53 1HD ARG 53 1.577 30.031 -15.678 394 HE ARG 53 HE ARG 53 3.374 31.963 -15.266 395 HH11 ARG 53 1HH1 ARG 53 3.150 29.593 -17.840 396 HH12 ARG 53 2HH1 ARG 53 3.759 30.669 -19.061 397 HH21 ARG 53 1HH2 ARG 53 4.220 33.374 -16.881 398 HH22 ARG 53 2HH2 ARG 53 4.397 32.791 -18.513 399 H THR 54 HN THR 54 0.527 26.977 -11.331 400 HA THR 54 HA THR 54 -0.605 29.411 -10.264 401 HB THR 54 HB THR 54 -2.433 27.673 -9.605 402 HG1 THR 54 1HG THR 54 -1.352 25.771 -9.933 403 HG21 THR 54 3HG2 THR 54 -1.797 28.300 -12.490 404 HG22 THR 54 1HG2 THR 54 -2.713 29.319 -11.380 405 HG23 THR 54 2HG2 THR 54 -3.366 27.761 -11.888 406 H ARG 55 HN ARG 55 -1.087 29.778 -8.109 407 HA ARG 55 HA ARG 55 -0.896 29.714 -5.853 408 HB2 ARG 55 2HB ARG 55 -0.313 26.784 -6.308 409 HB3 ARG 55 1HB ARG 55 -0.479 27.517 -4.719 410 HG2 ARG 55 2HG ARG 55 -2.786 28.185 -5.318 411 HG3 ARG 55 1HG ARG 55 -2.599 27.322 -6.847 412 HD2 ARG 55 2HD ARG 55 -2.199 25.244 -5.636 413 HD3 ARG 55 1HD ARG 55 -2.353 26.100 -4.101 414 HE ARG 55 HE ARG 55 -4.675 26.506 -5.654 415 HH11 ARG 55 1HH1 ARG 55 -3.057 24.074 -3.716 416 HH12 ARG 55 2HH1 ARG 55 -4.517 23.208 -3.361 417 HH21 ARG 55 1HH2 ARG 55 -6.588 25.353 -5.191 418 HH22 ARG 55 2HH2 ARG 55 -6.518 23.914 -4.220 419 H ARG 56 HN ARG 56 0.832 28.649 -4.096 420 HA ARG 56 HA ARG 56 3.530 28.888 -5.171 421 HB2 ARG 56 2HB ARG 56 2.831 31.196 -4.548 422 HB3 ARG 56 1HB ARG 56 2.541 30.638 -2.907 423 HG2 ARG 56 2HG ARG 56 4.840 30.243 -2.531 424 HG3 ARG 56 1HG ARG 56 5.223 30.419 -4.245 425 HD2 ARG 56 2HD ARG 56 4.204 32.604 -2.427 426 HD3 ARG 56 1HD ARG 56 5.872 32.406 -2.962 427 HE ARG 56 HE ARG 56 3.743 32.763 -4.955 428 HH11 ARG 56 1HH1 ARG 56 6.655 33.944 -3.384 429 HH12 ARG 56 2HH1 ARG 56 6.911 35.208 -4.550 430 HH21 ARG 56 1HH2 ARG 56 4.085 34.396 -6.477 431 HH22 ARG 56 2HH2 ARG 56 5.464 35.450 -6.333 432 H TYR 57 HN TYR 57 5.101 27.957 -3.822 433 HA TYR 57 HA TYR 57 5.959 26.480 -2.343 434 HB2 TYR 57 2HB TYR 57 3.427 27.032 -0.797 435 HB3 TYR 57 1HB TYR 57 4.676 25.929 -0.233 436 HD1 TYR 57 2HD TYR 57 7.058 26.894 -0.002 437 HD2 TYR 57 1HD TYR 57 3.567 29.305 -0.302 438 HE1 TYR 57 2HE TYR 57 8.282 28.777 0.994 439 HE2 TYR 57 1HE TYR 57 4.783 31.198 0.689 440 HH TYR 57 HH TYR 57 6.801 31.496 2.213 441 H GLU 58 HN GLU 58 2.533 25.895 -3.082 442 HA GLU 58 HA GLU 58 2.842 23.053 -2.939 443 HB2 GLU 58 2HB GLU 58 0.634 24.857 -3.837 444 HB3 GLU 58 1HB GLU 58 0.575 23.144 -4.224 445 HG2 GLU 58 2HG GLU 58 0.985 22.813 -1.692 446 HG3 GLU 58 1HG GLU 58 0.441 24.487 -1.565 447 H LEU 59 HN LEU 59 4.767 23.058 -4.356 448 HA LEU 59 HA LEU 59 4.271 23.046 -7.199 449 HB2 LEU 59 2HB LEU 59 6.506 21.652 -5.714 450 HB3 LEU 59 1HB LEU 59 6.493 22.149 -7.396 451 HG LEU 59 HG LEU 59 6.520 24.028 -5.033 452 HD11 LEU 59 1HD1 LEU 59 8.717 23.254 -6.939 453 HD12 LEU 59 2HD1 LEU 59 8.610 22.806 -5.237 454 HD13 LEU 59 3HD1 LEU 59 8.821 24.497 -5.694 455 HD21 LEU 59 3HD2 LEU 59 5.405 25.011 -6.948 456 HD22 LEU 59 1HD2 LEU 59 6.748 24.550 -7.995 457 HD23 LEU 59 2HD2 LEU 59 6.991 25.750 -6.727 458 H THR 60 HN THR 60 4.301 20.879 -4.509 459 HA THR 60 HA THR 60 2.333 19.208 -5.657 460 HB THR 60 HB THR 60 4.338 18.200 -6.734 461 HG1 THR 60 1HG THR 60 3.889 16.039 -5.970 462 HG21 THR 60 3HG2 THR 60 5.970 16.986 -5.355 463 HG22 THR 60 1HG2 THR 60 5.219 17.634 -3.898 464 HG23 THR 60 2HG2 THR 60 6.014 18.720 -5.038 465 H ALA 61 HN ALA 61 1.766 17.466 -3.981 466 HA ALA 61 HA ALA 61 2.327 18.577 -1.313 467 HB1 ALA 61 1HB ALA 61 0.037 19.076 -2.019 468 HB2 ALA 61 2HB ALA 61 0.062 17.974 -0.641 469 HB3 ALA 61 3HB ALA 61 -0.262 17.356 -2.260 470 H ASP 62 HN ASP 62 3.902 17.186 -0.717 471 HA ASP 62 HA ASP 62 4.887 15.283 0.062 472 HB2 ASP 62 2HB ASP 62 2.559 15.445 1.330 473 HB3 ASP 62 1HB ASP 62 2.200 13.998 0.401 474 H ASP 63 HN ASP 63 4.223 12.594 -0.123 475 HA ASP 63 HA ASP 63 4.437 11.996 -2.940 476 HB2 ASP 63 2HB ASP 63 5.673 10.621 -1.382 477 HB3 ASP 63 1HB ASP 63 4.214 10.249 -0.475 478 H TYR 64 HN TYR 64 1.977 12.760 -0.886 479 HA TYR 64 HA TYR 64 -0.103 11.027 -1.452 480 HB2 TYR 64 2HB TYR 64 -0.418 12.642 0.270 481 HB3 TYR 64 1HB TYR 64 -0.128 13.981 -0.838 482 HD1 TYR 64 2HD TYR 64 -2.529 11.267 -0.018 483 HD2 TYR 64 1HD TYR 64 -1.893 14.943 -2.066 484 HE1 TYR 64 2HE TYR 64 -4.939 11.414 -0.493 485 HE2 TYR 64 1HE TYR 64 -4.297 15.096 -2.551 486 HH TYR 64 HH TYR 64 -6.234 13.425 -2.785 487 H ARG 65 HN ARG 65 0.805 14.010 -3.217 488 HA ARG 65 HA ARG 65 -1.325 13.897 -5.030 489 HB2 ARG 65 2HB ARG 65 1.358 15.216 -5.128 490 HB3 ARG 65 1HB ARG 65 0.287 15.263 -6.515 491 HG2 ARG 65 2HG ARG 65 -1.465 16.162 -4.832 492 HG3 ARG 65 1HG ARG 65 -0.057 16.512 -3.826 493 HD2 ARG 65 2HD ARG 65 0.923 17.761 -5.732 494 HD3 ARG 65 1HD ARG 65 -0.577 17.508 -6.621 495 HE ARG 65 HE ARG 65 -0.531 18.968 -4.057 496 HH11 ARG 65 1HH1 ARG 65 -1.507 18.690 -7.401 497 HH12 ARG 65 2HH1 ARG 65 -2.279 20.242 -7.441 498 HH21 ARG 65 1HH2 ARG 65 -1.566 21.025 -4.093 499 HH22 ARG 65 2HH2 ARG 65 -2.327 21.555 -5.572 500 H ALA 66 HN ALA 66 1.853 12.389 -5.142 501 HA ALA 66 HA ALA 66 1.650 11.522 -7.839 502 HB1 ALA 66 1HB ALA 66 3.799 11.665 -6.690 503 HB2 ALA 66 2HB ALA 66 3.521 10.035 -7.302 504 HB3 ALA 66 3HB ALA 66 3.306 10.382 -5.586 505 H ALA 67 HN ALA 67 0.894 10.007 -4.730 506 HA ALA 67 HA ALA 67 -0.061 7.563 -5.818 507 HB1 ALA 67 1HB ALA 67 -1.121 7.227 -3.640 508 HB2 ALA 67 2HB ALA 67 -0.818 8.915 -3.225 509 HB3 ALA 67 3HB ALA 67 0.534 7.806 -3.452 510 H ASP 68 HN ASP 68 -1.537 10.633 -5.029 511 HA ASP 68 HA ASP 68 -4.231 10.003 -5.427 512 HB2 ASP 68 2HB ASP 68 -3.423 12.045 -4.309 513 HB3 ASP 68 1HB ASP 68 -2.796 12.636 -5.838 514 H ALA 69 HN ALA 69 -1.811 11.297 -7.681 515 HA ALA 69 HA ALA 69 -3.535 11.565 -9.891 516 HB1 ALA 69 1HB ALA 69 -0.568 11.028 -9.916 517 HB2 ALA 69 2HB ALA 69 -1.318 12.616 -9.754 518 HB3 ALA 69 3HB ALA 69 -1.524 11.691 -11.242 519 H ALA 70 HN ALA 70 -1.315 8.922 -9.017 520 HA ALA 70 HA ALA 70 -1.984 7.282 -11.226 521 HB1 ALA 70 1HB ALA 70 -0.817 5.509 -10.028 522 HB2 ALA 70 2HB ALA 70 -0.818 6.484 -8.559 523 HB3 ALA 70 3HB ALA 70 0.099 7.015 -9.970 524 H ALA 71 HN ALA 71 -3.327 7.593 -7.986 525 HA ALA 71 HA ALA 71 -4.960 5.309 -8.009 526 HB1 ALA 71 1HB ALA 71 -5.450 7.961 -6.653 527 HB2 ALA 71 2HB ALA 71 -4.540 6.605 -5.983 528 HB3 ALA 71 3HB ALA 71 -6.271 6.444 -6.283 529 H GLN 72 HN GLN 72 -5.685 8.670 -8.919 530 HA GLN 72 HA GLN 72 -8.310 8.225 -9.789 531 HB2 GLN 72 2HB GLN 72 -6.278 10.293 -10.623 532 HB3 GLN 72 1HB GLN 72 -7.955 10.319 -11.145 533 HG2 GLN 72 2HG GLN 72 -8.708 10.567 -8.874 534 HG3 GLN 72 1HG GLN 72 -7.057 10.406 -8.277 535 HE21 GLN 72 1HE2 GLN 72 -5.630 12.106 -8.521 536 HE22 GLN 72 2HE2 GLN 72 -6.146 13.705 -8.937 537 H GLU 73 HN GLU 73 -5.243 8.168 -11.581 538 HA GLU 73 HA GLU 73 -6.226 7.658 -14.111 539 HB2 GLU 73 2HB GLU 73 -3.689 6.961 -12.717 540 HB3 GLU 73 1HB GLU 73 -3.961 6.504 -14.389 541 HG2 GLU 73 2HG GLU 73 -4.198 9.309 -13.357 542 HG3 GLU 73 1HG GLU 73 -2.752 8.635 -14.081 543 H GLN 74 HN GLN 74 -5.441 5.373 -11.546 544 HA GLN 74 HA GLN 74 -6.134 3.102 -13.183 545 HB2 GLN 74 2HB GLN 74 -5.225 3.458 -10.347 546 HB3 GLN 74 1HB GLN 74 -5.765 1.895 -10.941 547 HG2 GLN 74 2HG GLN 74 -4.023 1.815 -12.557 548 HG3 GLN 74 1HG GLN 74 -3.574 3.489 -12.238 549 HE21 GLN 74 1HE2 GLN 74 -3.765 3.323 -9.394 550 HE22 GLN 74 2HE2 GLN 74 -2.441 2.367 -8.849 551 H GLY 75 HN GLY 75 -7.977 5.312 -11.542 552 HA2 GLY 75 2HA GLY 75 -10.229 5.314 -11.017 553 HA3 GLY 75 1HA GLY 75 -10.323 3.674 -11.644 554 H LEU 76 HN LEU 76 -8.135 4.704 -9.128 555 HA LEU 76 HA LEU 76 -9.674 3.162 -7.146 556 HB2 LEU 76 2HB LEU 76 -6.668 3.278 -7.443 557 HB3 LEU 76 1HB LEU 76 -7.547 2.395 -6.214 558 HG LEU 76 HG LEU 76 -7.648 1.803 -9.174 559 HD11 LEU 76 1HD1 LEU 76 -6.332 -0.171 -8.617 560 HD12 LEU 76 2HD1 LEU 76 -6.236 0.361 -6.938 561 HD13 LEU 76 3HD1 LEU 76 -5.465 1.311 -8.209 562 HD21 LEU 76 3HD2 LEU 76 -8.797 -0.244 -8.491 563 HD22 LEU 76 1HD2 LEU 76 -9.707 1.189 -8.011 564 HD23 LEU 76 2HD2 LEU 76 -8.770 0.296 -6.811 565 H ASP 77 HN ASP 77 -8.626 3.696 -4.858 566 HA ASP 77 HA ASP 77 -7.637 6.430 -4.717 567 HB2 ASP 77 2HB ASP 77 -9.212 6.990 -2.879 568 HB3 ASP 77 1HB ASP 77 -10.011 6.760 -4.425 569 H VAL 78 HN VAL 78 -7.230 6.861 -2.171 570 HA VAL 78 HA VAL 78 -5.269 4.836 -1.530 571 HB VAL 78 HB VAL 78 -5.930 7.313 0.078 572 HG11 VAL 78 1HG1 VAL 78 -4.591 5.671 1.254 573 HG12 VAL 78 2HG1 VAL 78 -3.625 7.095 0.865 574 HG13 VAL 78 3HG1 VAL 78 -3.442 5.620 -0.085 575 HG21 VAL 78 3HG2 VAL 78 -3.969 7.019 -2.200 576 HG22 VAL 78 1HG2 VAL 78 -4.108 8.425 -1.144 577 HG23 VAL 78 2HG2 VAL 78 -5.444 7.985 -2.206 578 H VAL 79 HN VAL 79 -5.875 3.066 -0.475 579 HA VAL 79 HA VAL 79 -8.031 3.299 1.517 580 HB VAL 79 HB VAL 79 -8.427 0.876 1.173 581 HG11 VAL 79 1HG1 VAL 79 -8.609 2.585 -1.307 582 HG12 VAL 79 2HG1 VAL 79 -9.795 2.494 -0.004 583 HG13 VAL 79 3HG1 VAL 79 -9.504 1.089 -1.030 584 HG21 VAL 79 3HG2 VAL 79 -7.447 -0.241 -0.781 585 HG22 VAL 79 1HG2 VAL 79 -6.210 0.234 0.383 586 HG23 VAL 79 2HG2 VAL 79 -6.448 1.179 -1.088 587 H GLY 80 HN GLY 80 -4.753 3.055 1.366 588 HA2 GLY 80 2HA GLY 80 -4.530 2.354 4.096 589 HA3 GLY 80 1HA GLY 80 -4.095 0.978 3.098 590 H VAL 81 HN VAL 81 -2.178 1.599 4.579 591 HA VAL 81 HA VAL 81 -0.231 3.016 2.896 592 HB VAL 81 HB VAL 81 -0.142 3.300 5.890 593 HG11 VAL 81 1HG1 VAL 81 1.908 3.765 4.689 594 HG12 VAL 81 2HG1 VAL 81 1.261 5.241 5.407 595 HG13 VAL 81 3HG1 VAL 81 1.067 4.943 3.681 596 HG21 VAL 81 3HG2 VAL 81 -2.278 4.273 5.257 597 HG22 VAL 81 1HG2 VAL 81 -1.488 5.229 4.004 598 HG23 VAL 81 2HG2 VAL 81 -1.140 5.546 5.704 599 H TYR 82 HN TYR 82 1.945 2.191 3.263 600 HA TYR 82 HA TYR 82 1.996 -0.235 4.909 601 HB2 TYR 82 2HB TYR 82 3.266 -1.480 3.308 602 HB3 TYR 82 1HB TYR 82 1.832 -0.869 2.503 603 HD1 TYR 82 1HD TYR 82 5.473 -0.190 2.943 604 HD2 TYR 82 2HD TYR 82 2.036 0.279 0.475 605 HE1 TYR 82 1HE TYR 82 6.894 0.688 1.144 606 HE2 TYR 82 2HE TYR 82 3.453 1.165 -1.328 607 HH TYR 82 HH TYR 82 6.988 1.303 -1.012 608 H HIS 83 HN HIS 83 3.984 -0.830 5.790 609 HA HIS 83 HA HIS 83 6.120 1.183 5.639 610 HB2 HIS 83 2HB HIS 83 5.054 -0.057 8.193 611 HB3 HIS 83 1HB HIS 83 6.507 0.923 8.086 612 HD1 HIS 83 1HD HIS 83 6.208 3.485 7.902 613 HD2 HIS 83 2HD HIS 83 2.638 1.352 8.112 614 HE1 HIS 83 1HE HIS 83 4.417 5.194 8.334 615 HE2 HIS 83 2HE HIS 83 2.314 3.855 8.674 616 H SER 84 HN SER 84 8.014 0.238 5.179 617 HA SER 84 HA SER 84 8.285 -2.643 5.693 618 HB2 SER 84 2HB SER 84 10.054 -0.944 3.921 619 HB3 SER 84 1HB SER 84 9.919 -2.702 3.945 620 HG SER 84 HG SER 84 7.967 -0.828 3.086 621 H HIS 85 HN HIS 85 9.650 -3.291 7.253 622 HA HIS 85 HA HIS 85 11.309 -1.217 8.516 623 HB2 HIS 85 2HB HIS 85 10.351 -3.900 9.543 624 HB3 HIS 85 1HB HIS 85 11.454 -2.849 10.423 625 HD1 HIS 85 1HD HIS 85 8.833 -3.608 11.722 626 HD2 HIS 85 2HD HIS 85 9.295 -0.215 9.362 627 HE1 HIS 85 1HE HIS 85 7.005 -2.035 12.435 628 HE2 HIS 85 2HE HIS 85 7.378 0.066 11.088 629 HA PRO 86 HA PRO 86 14.936 -3.503 7.213 630 HB2 PRO 86 2HB PRO 86 16.566 -1.912 8.949 631 HB3 PRO 86 1HB PRO 86 16.374 -1.749 7.203 632 HG2 PRO 86 2HG PRO 86 15.510 0.098 9.074 633 HG3 PRO 86 1HG PRO 86 14.901 -0.031 7.416 634 HD2 PRO 86 2HD PRO 86 13.701 -1.028 9.963 635 HD3 PRO 86 1HD PRO 86 12.904 -0.353 8.524 636 H ASP 87 HN ASP 87 14.611 -5.472 8.196 637 HA ASP 87 HA ASP 87 14.955 -7.184 9.644 638 HB2 ASP 87 2HB ASP 87 17.206 -6.022 9.978 639 HB3 ASP 87 1HB ASP 87 16.501 -5.242 11.385 640 H HIS 88 HN HIS 88 14.791 -7.403 12.314 641 HA HIS 88 HA HIS 88 13.472 -7.287 14.168 642 HB2 HIS 88 2HB HIS 88 12.614 -4.610 13.043 643 HB3 HIS 88 1HB HIS 88 12.221 -5.198 14.655 644 HD1 HIS 88 1HD HIS 88 14.207 -2.749 13.455 645 HD2 HIS 88 2HD HIS 88 15.140 -6.145 15.672 646 HE1 HIS 88 1HE HIS 88 16.399 -2.251 14.576 647 HE2 HIS 88 2HE HIS 88 17.034 -4.382 15.763 648 HA PRO 89 HA PRO 89 9.600 -9.132 13.253 649 HB2 PRO 89 2HB PRO 89 8.319 -7.482 15.361 650 HB3 PRO 89 1HB PRO 89 8.378 -9.240 15.188 651 HG2 PRO 89 2HG PRO 89 9.871 -8.009 17.011 652 HG3 PRO 89 1HG PRO 89 10.507 -9.388 16.093 653 HD2 PRO 89 2HD PRO 89 11.043 -6.463 15.740 654 HD3 PRO 89 1HD PRO 89 12.161 -7.838 15.616 655 H ALA 90 HN ALA 90 7.563 -8.852 12.319 656 HA ALA 90 HA ALA 90 7.320 -6.403 10.801 657 HB1 ALA 90 1HB ALA 90 7.055 -8.588 9.722 658 HB2 ALA 90 2HB ALA 90 5.600 -7.606 9.553 659 HB3 ALA 90 3HB ALA 90 5.648 -8.917 10.733 660 H ARG 91 HN ARG 91 6.789 -6.067 13.582 661 HA ARG 91 HA ARG 91 3.920 -5.438 13.498 662 HB2 ARG 91 2HB ARG 91 3.887 -5.538 15.937 663 HB3 ARG 91 1HB ARG 91 4.456 -7.055 15.267 664 HG2 ARG 91 2HG ARG 91 5.920 -6.783 16.990 665 HG3 ARG 91 1HG ARG 91 6.817 -5.998 15.690 666 HD2 ARG 91 2HD ARG 91 6.086 -3.821 16.445 667 HD3 ARG 91 1HD ARG 91 5.055 -4.558 17.670 668 HE ARG 91 HE ARG 91 7.478 -5.519 18.320 669 HH11 ARG 91 1HH1 ARG 91 6.295 -2.264 17.718 670 HH12 ARG 91 2HH1 ARG 91 7.502 -1.512 18.727 671 HH21 ARG 91 1HH2 ARG 91 9.047 -4.519 19.628 672 HH22 ARG 91 2HH2 ARG 91 9.047 -2.794 19.812 673 HA PRO 92 HA PRO 92 4.795 -1.163 13.486 674 HB2 PRO 92 2HB PRO 92 2.926 -0.198 15.259 675 HB3 PRO 92 1HB PRO 92 2.569 -0.656 13.591 676 HG2 PRO 92 2HG PRO 92 2.172 -2.214 16.114 677 HG3 PRO 92 1HG PRO 92 1.102 -2.067 14.707 678 HD2 PRO 92 2HD PRO 92 2.632 -4.234 15.088 679 HD3 PRO 92 1HD PRO 92 2.325 -3.591 13.461 680 H SER 93 HN SER 93 6.340 0.019 14.397 681 HA SER 93 HA SER 93 6.999 -0.424 17.210 682 HB2 SER 93 2HB SER 93 8.778 -0.512 15.413 683 HB3 SER 93 1HB SER 93 8.521 1.214 15.163 684 HG SER 93 HG SER 93 10.127 1.178 16.617 685 H ALA 94 HN ALA 94 8.090 1.985 17.925 686 HA ALA 94 HA ALA 94 5.900 3.457 18.796 687 HB1 ALA 94 1HB ALA 94 8.738 4.425 18.447 688 HB2 ALA 94 2HB ALA 94 8.112 3.548 19.844 689 HB3 ALA 94 3HB ALA 94 7.508 5.164 19.474 690 H THR 95 HN THR 95 8.075 4.108 16.069 691 HA THR 95 HA THR 95 6.879 6.562 15.332 692 HB THR 95 HB THR 95 8.395 4.737 13.462 693 HG1 THR 95 1HG THR 95 9.718 6.659 15.019 694 HG21 THR 95 3HG2 THR 95 9.211 6.888 12.552 695 HG22 THR 95 1HG2 THR 95 8.176 7.744 13.698 696 HG23 THR 95 2HG2 THR 95 7.457 6.739 12.439 697 H ASP 96 HN ASP 96 6.361 3.216 14.230 698 HA ASP 96 HA ASP 96 4.633 3.806 12.089 699 HB2 ASP 96 2HB ASP 96 4.582 1.367 13.883 700 HB3 ASP 96 1HB ASP 96 3.805 1.500 12.313 701 H LEU 97 HN LEU 97 4.039 3.229 15.509 702 HA LEU 97 HA LEU 97 1.210 3.406 15.394 703 HB2 LEU 97 2HB LEU 97 2.587 2.339 17.200 704 HB3 LEU 97 1HB LEU 97 3.060 3.936 17.725 705 HG LEU 97 HG LEU 97 1.250 2.759 19.059 706 HD11 LEU 97 1HD1 LEU 97 0.702 5.498 17.949 707 HD12 LEU 97 2HD1 LEU 97 1.656 5.102 19.380 708 HD13 LEU 97 3HD1 LEU 97 -0.084 4.806 19.367 709 HD21 LEU 97 3HD2 LEU 97 -0.042 1.884 17.199 710 HD22 LEU 97 1HD2 LEU 97 -0.414 3.525 16.674 711 HD23 LEU 97 2HD2 LEU 97 -1.029 2.933 18.217 712 H GLU 98 HN GLU 98 3.786 5.711 16.092 713 HA GLU 98 HA GLU 98 2.073 7.831 16.852 714 HB2 GLU 98 2HB GLU 98 4.978 7.628 16.167 715 HB3 GLU 98 1HB GLU 98 4.242 9.205 16.391 716 HG2 GLU 98 2HG GLU 98 3.484 8.496 18.628 717 HG3 GLU 98 1HG GLU 98 4.317 6.961 18.394 718 H GLU 99 HN GLU 99 3.423 6.882 13.734 719 HA GLU 99 HA GLU 99 2.293 9.293 12.535 720 HB2 GLU 99 2HB GLU 99 3.975 7.098 11.326 721 HB3 GLU 99 1HB GLU 99 3.371 8.489 10.437 722 HG2 GLU 99 2HG GLU 99 4.581 9.897 12.202 723 HG3 GLU 99 1HG GLU 99 5.411 8.401 12.626 724 H ALA 100 HN ALA 100 0.983 6.562 13.510 725 HA ALA 100 HA ALA 100 -0.579 5.902 11.159 726 HB1 ALA 100 1HB ALA 100 -1.706 4.303 12.583 727 HB2 ALA 100 2HB ALA 100 -0.941 4.999 14.012 728 HB3 ALA 100 3HB ALA 100 0.038 4.171 12.801 729 H THR 101 HN THR 101 -1.066 8.342 11.157 730 HA THR 101 HA THR 101 -3.191 9.101 13.016 731 HB THR 101 HB THR 101 -1.204 10.559 12.531 732 HG1 THR 101 1HG THR 101 -3.565 11.943 11.828 733 HG21 THR 101 3HG2 THR 101 -1.074 10.238 10.118 734 HG22 THR 101 1HG2 THR 101 -1.243 11.947 10.518 735 HG23 THR 101 2HG2 THR 101 -2.632 11.039 9.922 736 H PHE 102 HN PHE 102 -3.123 7.426 10.372 737 HA PHE 102 HA PHE 102 -5.408 8.702 9.035 738 HB2 PHE 102 2HB PHE 102 -3.673 6.421 8.061 739 HB3 PHE 102 1HB PHE 102 -4.928 7.238 7.137 740 HD1 PHE 102 2HD PHE 102 -4.609 9.644 6.525 741 HD2 PHE 102 1HD PHE 102 -1.489 7.263 8.168 742 HE1 PHE 102 2HE PHE 102 -2.948 11.254 5.689 743 HE2 PHE 102 1HE PHE 102 0.182 8.869 7.337 744 HZ PHE 102 HZ PHE 102 -0.547 10.867 6.094 745 HA PRO 103 HA PRO 103 -7.460 5.275 11.312 746 HB2 PRO 103 2HB PRO 103 -9.746 7.030 11.535 747 HB3 PRO 103 1HB PRO 103 -8.717 6.398 12.818 748 HG2 PRO 103 2HG PRO 103 -8.791 9.034 12.106 749 HG3 PRO 103 1HG PRO 103 -7.378 8.251 12.836 750 HD2 PRO 103 2HD PRO 103 -7.916 8.897 9.960 751 HD3 PRO 103 1HD PRO 103 -6.406 9.052 10.885 752 H GLY 104 HN GLY 104 -8.381 3.741 10.107 753 HA2 GLY 104 2HA GLY 104 -10.347 2.987 8.905 754 HA3 GLY 104 1HA GLY 104 -10.379 4.544 8.087 755 H PHE 105 HN PHE 105 -7.250 3.969 8.154 756 HA PHE 105 HA PHE 105 -7.253 2.769 5.496 757 HB2 PHE 105 2HB PHE 105 -5.149 4.248 7.080 758 HB3 PHE 105 1HB PHE 105 -4.799 3.447 5.552 759 HD1 PHE 105 2HD PHE 105 -7.086 5.984 7.045 760 HD2 PHE 105 1HD PHE 105 -5.045 4.601 3.576 761 HE1 PHE 105 2HE PHE 105 -7.813 7.991 5.821 762 HE2 PHE 105 1HE PHE 105 -5.773 6.601 2.347 763 HZ PHE 105 HZ PHE 105 -7.158 8.298 3.466 764 H THR 106 HN THR 106 -5.921 0.997 4.950 765 HA THR 106 HA THR 106 -5.479 -0.853 7.164 766 HB THR 106 HB THR 106 -5.174 -1.355 4.196 767 HG1 THR 106 1HG THR 106 -7.355 -0.707 5.207 768 HG21 THR 106 3HG2 THR 106 -5.552 -3.251 6.520 769 HG22 THR 106 1HG2 THR 106 -4.047 -2.990 5.635 770 HG23 THR 106 2HG2 THR 106 -5.434 -3.706 4.821 771 H TYR 107 HN TYR 107 -3.519 -1.279 7.974 772 HA TYR 107 HA TYR 107 -1.199 -0.066 6.641 773 HB2 TYR 107 2HB TYR 107 -1.615 -0.910 9.518 774 HB3 TYR 107 1HB TYR 107 -0.090 -0.315 8.877 775 HD1 TYR 107 1HD TYR 107 -3.580 0.627 9.649 776 HD2 TYR 107 2HD TYR 107 0.288 2.009 8.556 777 HE1 TYR 107 1HE TYR 107 -4.268 2.931 10.154 778 HE2 TYR 107 2HE TYR 107 -0.392 4.320 9.058 779 HH TYR 107 HH TYR 107 -3.398 5.037 10.648 780 H VAL 108 HN VAL 108 -0.030 -1.443 5.456 781 HA VAL 108 HA VAL 108 0.248 -4.214 6.385 782 HB VAL 108 HB VAL 108 1.031 -3.005 3.726 783 HG11 VAL 108 1HG1 VAL 108 2.505 -4.856 4.306 784 HG12 VAL 108 2HG1 VAL 108 1.403 -5.337 3.017 785 HG13 VAL 108 3HG1 VAL 108 1.112 -5.875 4.671 786 HG21 VAL 108 3HG2 VAL 108 -0.818 -4.353 2.839 787 HG22 VAL 108 1HG2 VAL 108 -1.375 -3.142 3.996 788 HG23 VAL 108 2HG2 VAL 108 -1.242 -4.833 4.482 789 H ILE 109 HN ILE 109 2.062 -4.849 7.351 790 HA ILE 109 HA ILE 109 4.451 -3.144 7.064 791 HB ILE 109 HB ILE 109 3.578 -4.670 9.530 792 HG12 ILE 109 2HG1 ILE 109 3.794 -1.696 8.994 793 HG13 ILE 109 1HG1 ILE 109 2.292 -2.600 9.103 794 HG21 ILE 109 1HG2 ILE 109 5.988 -2.912 9.074 795 HG22 ILE 109 2HG2 ILE 109 6.010 -4.667 9.240 796 HG23 ILE 109 3HG2 ILE 109 5.530 -3.658 10.607 797 HD11 ILE 109 3HD1 ILE 109 2.703 -1.392 11.140 798 HD12 ILE 109 1HD1 ILE 109 4.270 -2.178 11.315 799 HD13 ILE 109 2HD1 ILE 109 2.790 -3.131 11.437 800 H VAL 110 HN VAL 110 6.248 -4.129 6.373 801 HA VAL 110 HA VAL 110 6.403 -7.061 6.535 802 HB VAL 110 HB VAL 110 5.754 -6.640 4.271 803 HG11 VAL 110 1HG1 VAL 110 8.008 -4.638 4.162 804 HG12 VAL 110 2HG1 VAL 110 6.280 -4.291 4.081 805 HG13 VAL 110 3HG1 VAL 110 7.065 -5.177 2.773 806 HG21 VAL 110 3HG2 VAL 110 8.724 -7.151 4.412 807 HG22 VAL 110 1HG2 VAL 110 7.699 -7.492 3.018 808 HG23 VAL 110 2HG2 VAL 110 7.443 -8.356 4.536 809 H SER 111 HN SER 111 8.234 -7.823 7.262 810 HA SER 111 HA SER 111 10.370 -6.031 7.980 811 HB2 SER 111 2HB SER 111 9.909 -8.988 8.363 812 HB3 SER 111 1HB SER 111 11.333 -8.142 8.962 813 HG SER 111 HG SER 111 10.196 -7.400 10.557 814 H VAL 112 HN VAL 112 11.803 -5.473 6.445 815 HA VAL 112 HA VAL 112 12.742 -7.594 4.624 816 HB VAL 112 HB VAL 112 12.996 -4.606 4.235 817 HG11 VAL 112 1HG1 VAL 112 13.611 -5.220 1.927 818 HG12 VAL 112 2HG1 VAL 112 13.566 -6.922 2.390 819 HG13 VAL 112 3HG1 VAL 112 14.750 -5.840 3.124 820 HG21 VAL 112 3HG2 VAL 112 11.277 -4.858 2.492 821 HG22 VAL 112 1HG2 VAL 112 10.661 -5.238 4.100 822 HG23 VAL 112 2HG2 VAL 112 11.055 -6.540 2.976 823 H ARG 113 HN ARG 113 14.663 -8.396 5.157 824 HA ARG 113 HA ARG 113 16.376 -6.768 6.906 825 HB2 ARG 113 2HB ARG 113 15.569 -9.074 7.637 826 HB3 ARG 113 1HB ARG 113 16.632 -9.732 6.400 827 HG2 ARG 113 2HG ARG 113 18.194 -7.934 7.885 828 HG3 ARG 113 1HG ARG 113 17.255 -8.861 9.057 829 HD2 ARG 113 2HD ARG 113 19.289 -10.037 8.675 830 HD3 ARG 113 1HD ARG 113 18.000 -10.941 7.883 831 HE ARG 113 HE ARG 113 18.831 -9.593 5.817 832 HH11 ARG 113 1HH1 ARG 113 20.771 -11.016 8.356 833 HH12 ARG 113 2HH1 ARG 113 22.191 -11.172 7.369 834 HH21 ARG 113 1HH2 ARG 113 20.688 -9.779 4.506 835 HH22 ARG 113 2HH2 ARG 113 22.151 -10.431 5.175 836 H ASP 114 HN ASP 114 17.287 -5.532 5.269 837 HA ASP 114 HA ASP 114 18.728 -4.959 3.613 838 HB2 ASP 114 2HB ASP 114 20.322 -5.924 5.257 839 HB3 ASP 114 1HB ASP 114 20.166 -7.484 4.458 840 H GLY 115 HN GLY 115 16.709 -5.719 2.351 841 HA2 GLY 115 2HA GLY 115 16.343 -6.238 0.086 842 HA3 GLY 115 1HA GLY 115 17.750 -7.292 0.124 843 H ALA 116 HN ALA 116 16.928 -8.724 2.514 844 HA ALA 116 HA ALA 116 15.182 -10.603 1.171 845 HB1 ALA 116 1HB ALA 116 17.195 -11.426 2.267 846 HB2 ALA 116 2HB ALA 116 15.747 -12.132 2.986 847 HB3 ALA 116 3HB ALA 116 16.600 -10.831 3.818 848 HA PRO 117 HA PRO 117 11.733 -9.019 3.584 849 HB2 PRO 117 2HB PRO 117 9.948 -10.248 1.735 850 HB3 PRO 117 1HB PRO 117 10.402 -8.546 1.810 851 HG2 PRO 117 2HG PRO 117 11.048 -10.299 -0.249 852 HG3 PRO 117 1HG PRO 117 11.853 -8.754 0.070 853 HD2 PRO 117 2HD PRO 117 12.705 -11.526 0.782 854 HD3 PRO 117 1HD PRO 117 13.690 -10.133 0.283 855 H GLU 118 HN GLU 118 11.442 -10.164 5.400 856 HA GLU 118 HA GLU 118 11.349 -13.036 5.400 857 HB2 GLU 118 2HB GLU 118 12.442 -11.818 7.215 858 HB3 GLU 118 1HB GLU 118 10.923 -11.031 7.624 859 HG2 GLU 118 2HG GLU 118 9.967 -13.249 8.161 860 HG3 GLU 118 1HG GLU 118 11.550 -13.964 7.857 861 H ALA 119 HN ALA 119 9.093 -10.795 6.990 862 HA ALA 119 HA ALA 119 6.864 -12.330 5.887 863 HB1 ALA 119 1HB ALA 119 7.400 -13.375 8.029 864 HB2 ALA 119 2HB ALA 119 5.832 -12.568 8.088 865 HB3 ALA 119 3HB ALA 119 7.241 -11.816 8.836 866 H LEU 120 HN LEU 120 5.072 -11.179 5.514 867 HA LEU 120 HA LEU 120 4.938 -8.451 6.608 868 HB2 LEU 120 2HB LEU 120 3.466 -7.956 4.593 869 HB3 LEU 120 1HB LEU 120 5.185 -8.114 4.308 870 HG LEU 120 HG LEU 120 4.662 -10.524 3.614 871 HD11 LEU 120 1HD1 LEU 120 1.897 -9.355 3.394 872 HD12 LEU 120 2HD1 LEU 120 2.392 -10.662 4.469 873 HD13 LEU 120 3HD1 LEU 120 2.418 -10.900 2.721 874 HD21 LEU 120 3HD2 LEU 120 5.358 -8.801 2.065 875 HD22 LEU 120 1HD2 LEU 120 3.698 -8.217 1.946 876 HD23 LEU 120 2HD2 LEU 120 4.115 -9.820 1.340 877 H THR 121 HN THR 121 2.886 -7.688 7.225 878 HA THR 121 HA THR 121 0.657 -9.555 7.201 879 HB THR 121 HB THR 121 1.468 -8.344 9.848 880 HG1 THR 121 1HG THR 121 2.594 -10.463 8.554 881 HG21 THR 121 3HG2 THR 121 -0.865 -9.047 9.588 882 HG22 THR 121 1HG2 THR 121 -0.012 -10.056 10.755 883 HG23 THR 121 2HG2 THR 121 -0.325 -10.662 9.129 884 H ALA 122 HN ALA 122 -1.359 -8.467 7.929 885 HA ALA 122 HA ALA 122 -1.224 -5.581 7.375 886 HB1 ALA 122 1HB ALA 122 -2.519 -6.855 5.723 887 HB2 ALA 122 2HB ALA 122 -3.550 -5.749 6.630 888 HB3 ALA 122 3HB ALA 122 -3.557 -7.472 7.008 889 H TRP 123 HN TRP 123 -2.153 -4.168 8.741 890 HA TRP 123 HA TRP 123 -3.153 -5.287 11.269 891 HB2 TRP 123 2HB TRP 123 -1.344 -2.893 10.873 892 HB3 TRP 123 1HB TRP 123 -2.006 -3.424 12.417 893 HD1 TRP 123 1HD TRP 123 0.577 -4.471 9.756 894 HE1 TRP 123 1HE TRP 123 2.217 -6.143 10.846 895 HE3 TRP 123 3HE TRP 123 -1.783 -5.120 14.239 896 HZ2 TRP 123 2HZ TRP 123 2.456 -7.557 13.275 897 HZ3 TRP 123 3HZ TRP 123 -0.803 -6.659 15.885 898 HH2 TRP 123 2HH TRP 123 1.283 -7.850 15.414 899 H ALA 124 HN ALA 124 -4.869 -4.341 12.174 900 HA ALA 124 HA ALA 124 -6.156 -2.163 10.683 901 HB1 ALA 124 1HB ALA 124 -8.227 -2.861 11.787 902 HB2 ALA 124 2HB ALA 124 -7.344 -4.119 12.652 903 HB3 ALA 124 3HB ALA 124 -7.491 -4.192 10.896 904 H LEU 125 HN LEU 125 -6.326 -0.225 11.582 905 HA LEU 125 HA LEU 125 -5.080 0.235 14.137 906 HB2 LEU 125 2HB LEU 125 -4.709 1.734 12.218 907 HB3 LEU 125 1HB LEU 125 -6.412 2.139 12.204 908 HG LEU 125 HG LEU 125 -6.154 3.148 14.461 909 HD11 LEU 125 1HD1 LEU 125 -3.221 2.631 13.988 910 HD12 LEU 125 2HD1 LEU 125 -4.226 1.881 15.228 911 HD13 LEU 125 3HD1 LEU 125 -3.895 3.612 15.289 912 HD21 LEU 125 3HD2 LEU 125 -6.075 4.537 12.478 913 HD22 LEU 125 1HD2 LEU 125 -4.348 4.222 12.301 914 HD23 LEU 125 2HD2 LEU 125 -4.939 5.135 13.689 915 H ALA 126 HN ALA 126 -6.078 0.644 16.031 916 HA ALA 126 HA ALA 126 -8.825 0.190 16.418 917 HB1 ALA 126 1HB ALA 126 -6.930 1.735 18.189 918 HB2 ALA 126 2HB ALA 126 -7.147 -0.014 18.207 919 HB3 ALA 126 3HB ALA 126 -8.479 1.043 18.671 920 HA PRO 127 HA PRO 127 -11.187 3.614 15.130 921 HB2 PRO 127 2HB PRO 127 -11.761 4.029 18.041 922 HB3 PRO 127 1HB PRO 127 -12.870 4.054 16.664 923 HG2 PRO 127 2HG PRO 127 -12.652 1.900 18.243 924 HG3 PRO 127 1HG PRO 127 -12.936 1.758 16.500 925 HD2 PRO 127 2HD PRO 127 -10.521 1.119 18.059 926 HD3 PRO 127 1HD PRO 127 -11.001 0.566 16.443 927 H ASP 128 HN ASP 128 -9.731 4.536 18.275 928 HA ASP 128 HA ASP 128 -9.185 7.182 17.124 929 HB2 ASP 128 2HB ASP 128 -10.559 6.938 19.249 930 HB3 ASP 128 1HB ASP 128 -9.081 6.415 20.046 931 H ARG 129 HN ARG 129 -7.535 4.823 16.602 932 HA ARG 129 HA ARG 129 -5.317 4.390 16.267 933 HB2 ARG 129 2HB ARG 129 -4.806 7.093 17.521 934 HB3 ARG 129 1HB ARG 129 -3.677 6.165 16.549 935 HG2 ARG 129 2HG ARG 129 -5.001 6.482 14.588 936 HG3 ARG 129 1HG ARG 129 -6.295 7.230 15.527 937 HD2 ARG 129 2HD ARG 129 -3.506 8.311 15.140 938 HD3 ARG 129 1HD ARG 129 -4.978 8.934 14.395 939 HE ARG 129 HE ARG 129 -5.046 8.883 17.276 940 HH11 ARG 129 1HH1 ARG 129 -4.140 10.760 14.464 941 HH12 ARG 129 2HH1 ARG 129 -4.238 12.284 15.292 942 HH21 ARG 129 1HH2 ARG 129 -5.139 10.867 18.379 943 HH22 ARG 129 2HH2 ARG 129 -4.772 12.349 17.531 944 H SER 130 HN SER 130 -6.721 3.954 18.931 945 HA SER 130 HA SER 130 -4.896 4.402 21.023 946 HB2 SER 130 2HB SER 130 -7.090 2.324 20.934 947 HB3 SER 130 1HB SER 130 -6.394 3.086 22.366 948 HG SER 130 HG SER 130 -7.151 5.136 21.314 949 H GLU 131 HN GLU 131 -5.210 1.765 18.751 950 HA GLU 131 HA GLU 131 -2.688 0.679 19.442 951 HB2 GLU 131 2HB GLU 131 -3.428 -1.520 20.254 952 HB3 GLU 131 1HB GLU 131 -3.911 -0.232 21.348 953 HG2 GLU 131 2HG GLU 131 -6.167 -0.287 20.393 954 HG3 GLU 131 1HG GLU 131 -5.673 -1.603 19.333 955 H PHE 132 HN PHE 132 -2.520 -1.632 18.348 956 HA PHE 132 HA PHE 132 -3.971 -1.527 15.788 957 HB2 PHE 132 2HB PHE 132 -1.145 -2.308 16.428 958 HB3 PHE 132 1HB PHE 132 -1.945 -2.990 15.018 959 HD1 PHE 132 2HD PHE 132 -2.710 -1.497 13.198 960 HD2 PHE 132 1HD PHE 132 -0.328 -0.093 16.429 961 HE1 PHE 132 2HE PHE 132 -2.094 0.486 11.876 962 HE2 PHE 132 1HE PHE 132 0.291 1.890 15.115 963 HZ PHE 132 HZ PHE 132 -0.587 2.184 12.838 964 H HIS 133 HN HIS 133 -4.647 -3.485 14.867 965 HA HIS 133 HA HIS 133 -4.424 -5.882 16.571 966 HB2 HIS 133 2HB HIS 133 -6.856 -4.886 15.066 967 HB3 HIS 133 1HB HIS 133 -6.701 -6.544 15.628 968 HD1 HIS 133 1HD HIS 133 -7.541 -6.993 17.922 969 HD2 HIS 133 2HD HIS 133 -6.801 -2.947 17.288 970 HE1 HIS 133 1HE HIS 133 -8.312 -5.826 20.011 971 HE2 HIS 133 2HE HIS 133 -7.615 -3.431 19.695 972 H ARG 134 HN ARG 134 -4.258 -7.867 15.418 973 HA ARG 134 HA ARG 134 -2.972 -7.432 12.825 974 HB2 ARG 134 2HB ARG 134 -1.707 -8.545 14.604 975 HB3 ARG 134 1HB ARG 134 -2.883 -9.852 14.583 976 HG2 ARG 134 2HG ARG 134 -2.246 -10.536 12.431 977 HG3 ARG 134 1HG ARG 134 -1.357 -9.040 12.132 978 HD2 ARG 134 2HD ARG 134 0.361 -9.637 13.578 979 HD3 ARG 134 1HD ARG 134 -0.634 -10.852 14.356 980 HE ARG 134 HE ARG 134 -0.418 -11.781 11.818 981 HH11 ARG 134 1HH1 ARG 134 1.958 -10.781 14.205 982 HH12 ARG 134 2HH1 ARG 134 3.203 -11.824 13.588 983 HH21 ARG 134 1HH2 ARG 134 1.221 -13.161 11.025 984 HH22 ARG 134 2HH2 ARG 134 2.779 -13.173 11.791 985 H GLU 135 HN GLU 135 -3.468 -8.584 10.992 986 HA GLU 135 HA GLU 135 -5.768 -10.390 11.061 987 HB2 GLU 135 2HB GLU 135 -6.655 -8.147 10.501 988 HB3 GLU 135 1HB GLU 135 -5.531 -8.051 9.154 989 HG2 GLU 135 2HG GLU 135 -6.629 -10.081 8.198 990 HG3 GLU 135 1HG GLU 135 -7.841 -9.953 9.469 991 H ASP 136 HN ASP 136 -5.844 -11.823 9.287 992 HA ASP 136 HA ASP 136 -3.321 -12.098 7.827 993 HB2 ASP 136 2HB ASP 136 -5.641 -14.005 8.192 994 HB3 ASP 136 1HB ASP 136 -4.283 -14.324 7.120 995 H ILE 137 HN ILE 137 -3.410 -12.492 5.507 996 HA ILE 137 HA ILE 137 -5.231 -10.582 4.341 997 HB ILE 137 HB ILE 137 -2.903 -12.093 3.155 998 HG12 ILE 137 2HG1 ILE 137 -2.030 -9.673 2.938 999 HG13 ILE 137 1HG1 ILE 137 -3.310 -9.243 4.068 1000 HG21 ILE 137 1HG2 ILE 137 -3.197 -10.663 1.176 1001 HG22 ILE 137 2HG2 ILE 137 -4.699 -10.049 1.866 1002 HG23 ILE 137 3HG2 ILE 137 -4.556 -11.753 1.437 1003 HD11 ILE 137 3HD1 ILE 137 -1.049 -11.163 4.577 1004 HD12 ILE 137 1HD1 ILE 137 -2.345 -10.780 5.709 1005 HD13 ILE 137 2HD1 ILE 137 -1.209 -9.526 5.217 1006 H VAL 138 HN VAL 138 -7.062 -11.084 3.445 1007 HA VAL 138 HA VAL 138 -7.508 -13.836 2.517 1008 HB VAL 138 HB VAL 138 -9.973 -13.155 2.645 1009 HG11 VAL 138 1HG1 VAL 138 -8.338 -13.361 5.174 1010 HG12 VAL 138 2HG1 VAL 138 -8.964 -14.706 4.220 1011 HG13 VAL 138 3HG1 VAL 138 -10.078 -13.632 5.064 1012 HG21 VAL 138 3HG2 VAL 138 -9.651 -10.749 2.832 1013 HG22 VAL 138 1HG2 VAL 138 -8.800 -10.971 4.359 1014 HG23 VAL 138 2HG2 VAL 138 -10.514 -11.374 4.240 1015 H ARG 139 HN ARG 139 -8.720 -14.144 0.568 1016 HA ARG 139 HA ARG 139 -8.022 -12.265 -1.490 1017 HB2 ARG 139 2HB ARG 139 -9.778 -14.711 -1.725 1018 HB3 ARG 139 1HB ARG 139 -8.903 -13.899 -3.007 1019 HG2 ARG 139 2HG ARG 139 -6.786 -14.615 -2.042 1020 HG3 ARG 139 1HG ARG 139 -7.658 -15.415 -0.728 1021 HD2 ARG 139 2HD ARG 139 -7.736 -16.086 -3.667 1022 HD3 ARG 139 1HD ARG 139 -7.092 -17.078 -2.358 1023 HE ARG 139 HE ARG 139 -9.643 -16.805 -1.612 1024 HH11 ARG 139 1HH1 ARG 139 -8.198 -17.731 -4.677 1025 HH12 ARG 139 2HH1 ARG 139 -9.598 -18.610 -5.206 1026 HH21 ARG 139 1HH2 ARG 139 -11.477 -18.012 -2.322 1027 HH22 ARG 139 2HH2 ARG 139 -11.436 -18.775 -3.883 1028 HA PRO 140 HA PRO 140 -12.002 -10.246 -1.695 1029 HB2 PRO 140 2HB PRO 140 -12.213 -9.736 -4.352 1030 HB3 PRO 140 1HB PRO 140 -11.170 -8.819 -3.264 1031 HG2 PRO 140 2HG PRO 140 -10.460 -10.979 -5.197 1032 HG3 PRO 140 1HG PRO 140 -9.563 -9.511 -4.775 1033 HD2 PRO 140 2HD PRO 140 -8.977 -12.008 -3.801 1034 HD3 PRO 140 1HD PRO 140 -8.572 -10.494 -2.969 1035 H ASP 141 HN ASP 141 -13.405 -11.837 -1.135 1036 HA ASP 141 HA ASP 141 -14.301 -13.732 -3.176 1037 HB2 ASP 141 2HB ASP 141 -14.611 -13.601 -0.192 1038 HB3 ASP 141 1HB ASP 141 -15.701 -14.593 -1.149 1039 HA PRO 142 HA PRO 142 -17.820 -10.949 -3.612 1040 HB2 PRO 142 2HB PRO 142 -18.288 -12.076 -6.201 1041 HB3 PRO 142 1HB PRO 142 -17.570 -10.509 -5.827 1042 HG2 PRO 142 2HG PRO 142 -16.227 -12.628 -6.991 1043 HG3 PRO 142 1HG PRO 142 -15.456 -11.277 -6.145 1044 HD2 PRO 142 2HD PRO 142 -16.050 -14.040 -5.161 1045 HD3 PRO 142 1HD PRO 142 -14.638 -13.007 -4.849 1046 H GLU 143 HN GLU 143 -17.835 -13.562 -2.347 1047 HA GLU 143 HA GLU 143 -20.408 -14.640 -3.303 1048 HB2 GLU 143 2HB GLU 143 -18.163 -16.115 -1.922 1049 HB3 GLU 143 1HB GLU 143 -19.672 -16.812 -2.482 1050 HG2 GLU 143 2HG GLU 143 -19.080 -16.300 -4.784 1051 HG3 GLU 143 1HG GLU 143 -17.581 -15.553 -4.236 1052 H ALA 144 HN ALA 144 -19.051 -12.878 -0.956 1053 HA ALA 144 HA ALA 144 -20.239 -14.045 1.377 1054 HB1 ALA 144 1HB ALA 144 -19.089 -11.288 0.954 1055 HB2 ALA 144 2HB ALA 144 -18.206 -12.697 1.539 1056 HB3 ALA 144 3HB ALA 144 -19.506 -12.006 2.510 1057 HA PRO 145 HA PRO 145 -24.320 -12.360 0.784 1058 HB2 PRO 145 2HB PRO 145 -24.622 -12.844 3.672 1059 HB3 PRO 145 1HB PRO 145 -25.528 -13.527 2.320 1060 HG2 PRO 145 2HG PRO 145 -23.786 -14.999 3.741 1061 HG3 PRO 145 1HG PRO 145 -24.016 -15.242 1.999 1062 HD2 PRO 145 2HD PRO 145 -21.817 -13.801 3.437 1063 HD3 PRO 145 1HD PRO 145 -21.727 -14.878 2.027 1064 H LEU 146 HN LEU 146 -25.642 -10.637 1.654 1065 HA LEU 146 HA LEU 146 -24.257 -8.261 2.034 1066 HB2 LEU 146 2HB LEU 146 -27.113 -8.912 2.755 1067 HB3 LEU 146 1HB LEU 146 -26.452 -7.295 2.644 1068 HG LEU 146 HG LEU 146 -26.683 -9.244 0.363 1069 HD11 LEU 146 1HD1 LEU 146 -28.850 -8.405 1.050 1070 HD12 LEU 146 2HD1 LEU 146 -28.375 -7.670 -0.480 1071 HD13 LEU 146 3HD1 LEU 146 -28.242 -6.751 1.018 1072 HD21 LEU 146 3HD2 LEU 146 -24.746 -7.769 0.130 1073 HD22 LEU 146 1HD2 LEU 146 -25.782 -6.367 0.394 1074 HD23 LEU 146 2HD2 LEU 146 -26.004 -7.367 -1.041 1075 H GLU 147 HN GLU 147 -23.813 -6.962 3.747 1076 HA GLU 147 HA GLU 147 -23.378 -8.265 6.267 1077 HB2 GLU 147 2HB GLU 147 -22.145 -6.252 4.879 1078 HB3 GLU 147 1HB GLU 147 -23.027 -5.344 6.098 1079 HG2 GLU 147 2HG GLU 147 -21.072 -7.566 6.636 1080 HG3 GLU 147 1HG GLU 147 -20.748 -5.841 6.787 1081 H HIS 148 HN HIS 148 -24.219 -7.561 8.302 1082 HA HIS 148 HA HIS 148 -26.320 -5.630 8.448 1083 HB2 HIS 148 2HB HIS 148 -28.085 -7.256 9.212 1084 HB3 HIS 148 1HB HIS 148 -27.713 -7.306 7.494 1085 HD1 HIS 148 1HD HIS 148 -27.476 -9.575 6.585 1086 HD2 HIS 148 2HD HIS 148 -26.582 -9.456 10.649 1087 HE1 HIS 148 1HE HIS 148 -27.005 -11.953 7.248 1088 HE2 HIS 148 2HE HIS 148 -26.629 -11.881 9.736 1089 H HIS 149 HN HIS 149 -23.772 -6.372 9.790 1090 HA HIS 149 HA HIS 149 -24.529 -7.222 12.440 1091 HB2 HIS 149 2HB HIS 149 -22.275 -7.706 11.568 1092 HB3 HIS 149 1HB HIS 149 -21.943 -5.980 11.462 1093 HD1 HIS 149 1HD HIS 149 -21.056 -4.846 13.544 1094 HD2 HIS 149 2HD HIS 149 -22.507 -8.682 14.283 1095 HE1 HIS 149 1HE HIS 149 -20.404 -5.380 15.915 1096 HE2 HIS 149 2HE HIS 149 -21.413 -7.636 16.386 1097 H HIS 150 HN HIS 150 -26.138 -5.737 13.038 1098 HA HIS 150 HA HIS 150 -25.415 -2.930 13.254 1099 HB2 HIS 150 2HB HIS 150 -27.924 -4.462 13.929 1100 HB3 HIS 150 1HB HIS 150 -27.718 -2.768 14.349 1101 HD1 HIS 150 1HD HIS 150 -29.882 -2.535 12.743 1102 HD2 HIS 150 2HD HIS 150 -26.284 -3.512 10.894 1103 HE1 HIS 150 1HE HIS 150 -30.206 -2.016 10.303 1104 HE2 HIS 150 2HE HIS 150 -27.950 -2.417 9.246 1105 H HIS 151 HN HIS 151 -26.425 -5.521 15.453 1106 HA HIS 151 HA HIS 151 -26.167 -5.853 17.672 1107 HB2 HIS 151 2HB HIS 151 -23.809 -6.060 17.033 1108 HB3 HIS 151 1HB HIS 151 -23.593 -4.323 17.215 1109 HD1 HIS 151 1HD HIS 151 -24.415 -7.374 19.322 1110 HD2 HIS 151 2HD HIS 151 -22.854 -3.539 19.725 1111 HE1 HIS 151 1HE HIS 151 -23.633 -7.204 21.707 1112 HE2 HIS 151 2HE HIS 151 -22.518 -4.946 21.870 1113 H HIS 152 HN HIS 152 -28.010 -4.508 18.093 1114 HA HIS 152 HA HIS 152 -27.332 -1.870 19.211 1115 HB2 HIS 152 2HB HIS 152 -29.254 -2.234 17.487 1116 HB3 HIS 152 1HB HIS 152 -30.143 -2.881 18.862 1117 HD1 HIS 152 1HD HIS 152 -31.083 -1.211 20.543 1118 HD2 HIS 152 2HD HIS 152 -28.633 0.545 17.682 1119 HE1 HIS 152 1HE HIS 152 -31.385 1.265 20.823 1120 HE2 HIS 152 2HE HIS 152 -29.706 2.299 19.247 1121 H HIS 153 HN HIS 153 -28.268 -5.066 19.970 1122 HA HIS 153 HA HIS 153 -28.006 -4.459 22.795 1123 HB2 HIS 153 2HB HIS 153 -29.998 -5.676 23.466 1124 HB3 HIS 153 1HB HIS 153 -30.455 -4.364 22.392 1125 HD1 HIS 153 1HD HIS 153 -30.471 -8.075 22.695 1126 HD2 HIS 153 2HD HIS 153 -31.457 -5.181 19.873 1127 HE1 HIS 153 1HE HIS 153 -31.829 -9.264 20.953 1128 HE2 HIS 153 2HE HIS 153 -32.599 -7.456 19.383 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -10.043 -6.804 4.474 2 H2 MET 1 H2 MET 1 -11.097 -5.995 3.418 3 H3 MET 1 H3 MET 1 -10.175 -5.120 4.531 4 HA MET 1 HA MET 1 -9.323 -4.994 2.259 5 HB2 MET 1 2HB MET 1 -7.810 -4.602 4.119 6 HB3 MET 1 1HB MET 1 -7.561 -6.330 4.319 7 HG2 MET 1 2HG MET 1 -6.531 -6.404 2.073 8 HG3 MET 1 1HG MET 1 -6.701 -4.652 1.972 9 HE1 MET 1 2HE MET 1 -4.085 -4.570 1.411 10 HE2 MET 1 3HE MET 1 -3.933 -6.315 1.622 11 HE3 MET 1 1HE MET 1 -2.839 -5.223 2.473 12 H LYS 2 HN LYS 2 -9.547 -6.053 0.436 13 HA LYS 2 HA LYS 2 -8.838 -8.918 0.378 14 HB2 LYS 2 2HB LYS 2 -10.774 -7.362 -1.350 15 HB3 LYS 2 1HB LYS 2 -10.207 -8.973 -1.761 16 HG2 LYS 2 2HG LYS 2 -12.265 -9.325 -0.747 17 HG3 LYS 2 1HG LYS 2 -11.098 -9.682 0.524 18 HD2 LYS 2 2HD LYS 2 -12.528 -8.337 1.705 19 HD3 LYS 2 1HD LYS 2 -11.434 -7.118 1.067 20 HE2 LYS 2 2HE LYS 2 -13.527 -6.224 0.629 21 HE3 LYS 2 1HE LYS 2 -13.073 -6.966 -0.904 22 HZ1 LYS 2 3HZ LYS 2 -14.829 -8.228 1.131 23 HZ2 LYS 2 1HZ LYS 2 -14.465 -8.852 -0.404 24 HZ3 LYS 2 2HZ LYS 2 -15.384 -7.429 -0.258 25 H THR 3 HN THR 3 -7.231 -9.560 -0.969 26 HA THR 3 HA THR 3 -6.407 -7.938 -3.197 27 HB THR 3 HB THR 3 -5.241 -6.789 -1.354 28 HG1 THR 3 1HG THR 3 -4.200 -6.833 -3.364 29 HG21 THR 3 3HG2 THR 3 -3.877 -9.444 -0.914 30 HG22 THR 3 1HG2 THR 3 -4.989 -8.646 0.199 31 HG23 THR 3 2HG2 THR 3 -3.419 -7.921 -0.153 32 H THR 4 HN THR 4 -5.101 -9.047 -4.656 33 HA THR 4 HA THR 4 -5.447 -11.879 -4.574 34 HB THR 4 HB THR 4 -3.938 -11.535 -6.767 35 HG1 THR 4 1HG THR 4 -4.152 -9.490 -7.583 36 HG21 THR 4 3HG2 THR 4 -6.840 -10.720 -6.581 37 HG22 THR 4 1HG2 THR 4 -6.251 -12.380 -6.692 38 HG23 THR 4 2HG2 THR 4 -5.996 -11.262 -8.030 39 HA PRO 5 HA PRO 5 -1.636 -13.288 -2.921 40 HB2 PRO 5 2HB PRO 5 -1.141 -15.442 -4.559 41 HB3 PRO 5 1HB PRO 5 -2.272 -15.454 -3.206 42 HG2 PRO 5 2HG PRO 5 -2.814 -15.127 -6.121 43 HG3 PRO 5 1HG PRO 5 -3.733 -16.029 -4.903 44 HD2 PRO 5 2HD PRO 5 -4.519 -13.612 -5.793 45 HD3 PRO 5 1HD PRO 5 -4.793 -14.134 -4.119 46 H ASP 6 HN ASP 6 -1.812 -12.857 -6.424 47 HA ASP 6 HA ASP 6 0.961 -12.892 -6.895 48 HB2 ASP 6 2HB ASP 6 0.389 -11.847 -9.041 49 HB3 ASP 6 1HB ASP 6 -0.641 -13.221 -8.697 50 H ILE 7 HN ILE 7 -1.278 -10.352 -5.931 51 HA ILE 7 HA ILE 7 0.566 -8.203 -6.175 52 HB ILE 7 HB ILE 7 -1.836 -8.498 -4.357 53 HG12 ILE 7 2HG1 ILE 7 -2.381 -8.561 -6.755 54 HG13 ILE 7 1HG1 ILE 7 -2.988 -7.092 -5.993 55 HG21 ILE 7 1HG2 ILE 7 -1.749 -6.061 -4.108 56 HG22 ILE 7 2HG2 ILE 7 -0.243 -6.030 -5.027 57 HG23 ILE 7 3HG2 ILE 7 -0.304 -6.842 -3.462 58 HD11 ILE 7 3HD1 ILE 7 -2.060 -6.606 -8.167 59 HD12 ILE 7 1HD1 ILE 7 -0.520 -7.329 -7.702 60 HD13 ILE 7 2HD1 ILE 7 -1.080 -5.857 -6.909 61 H LEU 8 HN LEU 8 -0.355 -10.342 -3.499 62 HA LEU 8 HA LEU 8 1.316 -9.278 -1.526 63 HB2 LEU 8 2HB LEU 8 0.450 -12.140 -1.942 64 HB3 LEU 8 1HB LEU 8 1.163 -11.512 -0.468 65 HG LEU 8 HG LEU 8 -1.470 -10.609 -1.636 66 HD11 LEU 8 1HD1 LEU 8 -0.895 -12.384 0.731 67 HD12 LEU 8 2HD1 LEU 8 -1.574 -12.904 -0.811 68 HD13 LEU 8 3HD1 LEU 8 -2.484 -11.808 0.228 69 HD21 LEU 8 3HD2 LEU 8 -0.126 -9.957 0.986 70 HD22 LEU 8 1HD2 LEU 8 -1.753 -9.467 0.515 71 HD23 LEU 8 2HD2 LEU 8 -0.357 -8.854 -0.371 72 H ASP 9 HN ASP 9 1.953 -11.668 -4.040 73 HA ASP 9 HA ASP 9 4.584 -12.345 -3.284 74 HB2 ASP 9 2HB ASP 9 3.338 -13.660 -4.911 75 HB3 ASP 9 1HB ASP 9 3.291 -12.297 -6.019 76 H GLN 10 HN GLN 10 3.352 -9.939 -5.570 77 HA GLN 10 HA GLN 10 5.804 -8.804 -6.278 78 HB2 GLN 10 2HB GLN 10 3.044 -7.590 -6.132 79 HB3 GLN 10 1HB GLN 10 4.425 -6.798 -6.881 80 HG2 GLN 10 2HG GLN 10 4.604 -8.531 -8.523 81 HG3 GLN 10 1HG GLN 10 3.377 -9.493 -7.708 82 HE21 GLN 10 1HE2 GLN 10 1.243 -8.935 -7.891 83 HE22 GLN 10 2HE2 GLN 10 0.666 -7.832 -9.091 84 H ILE 11 HN ILE 11 3.775 -8.286 -3.461 85 HA ILE 11 HA ILE 11 5.115 -5.984 -2.497 86 HB ILE 11 HB ILE 11 3.550 -8.077 -0.974 87 HG12 ILE 11 2HG1 ILE 11 2.779 -5.313 -1.938 88 HG13 ILE 11 1HG1 ILE 11 2.260 -6.826 -2.669 89 HG21 ILE 11 1HG2 ILE 11 5.075 -6.906 0.518 90 HG22 ILE 11 2HG2 ILE 11 3.407 -6.422 0.825 91 HG23 ILE 11 3HG2 ILE 11 4.484 -5.353 -0.073 92 HD11 ILE 11 3HD1 ILE 11 0.535 -5.830 -1.260 93 HD12 ILE 11 1HD1 ILE 11 1.612 -5.945 0.130 94 HD13 ILE 11 2HD1 ILE 11 1.041 -7.412 -0.663 95 H ARG 12 HN ARG 12 5.519 -9.456 -1.727 96 HA ARG 12 HA ARG 12 7.565 -9.047 0.175 97 HB2 ARG 12 2HB ARG 12 7.976 -11.422 0.074 98 HB3 ARG 12 1HB ARG 12 6.243 -11.144 0.010 99 HG2 ARG 12 2HG ARG 12 6.238 -11.532 -2.376 100 HG3 ARG 12 1HG ARG 12 7.991 -11.724 -2.370 101 HD2 ARG 12 2HD ARG 12 7.712 -13.658 -0.834 102 HD3 ARG 12 1HD ARG 12 5.965 -13.500 -1.020 103 HE ARG 12 HE ARG 12 6.374 -13.892 -3.464 104 HH11 ARG 12 1HH1 ARG 12 8.617 -15.068 -1.048 105 HH12 ARG 12 2HH1 ARG 12 9.246 -16.335 -2.055 106 HH21 ARG 12 1HH2 ARG 12 7.168 -15.542 -4.786 107 HH22 ARG 12 2HH2 ARG 12 8.426 -16.600 -4.204 108 H VAL 13 HN VAL 13 7.662 -9.568 -3.318 109 HA VAL 13 HA VAL 13 10.496 -9.710 -3.503 110 HB VAL 13 HB VAL 13 8.466 -8.903 -5.599 111 HG11 VAL 13 1HG1 VAL 13 10.223 -9.386 -7.235 112 HG12 VAL 13 2HG1 VAL 13 11.362 -9.680 -5.922 113 HG13 VAL 13 3HG1 VAL 13 10.689 -8.068 -6.158 114 HG21 VAL 13 3HG2 VAL 13 8.132 -11.173 -4.781 115 HG22 VAL 13 1HG2 VAL 13 9.831 -11.543 -5.070 116 HG23 VAL 13 2HG2 VAL 13 8.761 -11.197 -6.430 117 H HIS 14 HN HIS 14 8.140 -7.102 -3.662 118 HA HIS 14 HA HIS 14 9.825 -5.000 -4.394 119 HB2 HIS 14 2HB HIS 14 7.444 -4.690 -4.419 120 HB3 HIS 14 1HB HIS 14 7.325 -5.040 -2.700 121 HD1 HIS 14 1HD HIS 14 8.718 -2.376 -5.024 122 HD2 HIS 14 2HD HIS 14 7.456 -2.859 -1.081 123 HE1 HIS 14 1HE HIS 14 8.724 -0.069 -4.013 124 HE2 HIS 14 2HE HIS 14 8.088 -0.403 -1.593 125 H GLY 15 HN GLY 15 9.390 -6.588 -1.305 126 HA2 GLY 15 2HA GLY 15 10.548 -4.652 0.366 127 HA3 GLY 15 1HA GLY 15 10.557 -6.384 0.666 128 H ALA 16 HN ALA 16 12.072 -7.349 -1.366 129 HA ALA 16 HA ALA 16 14.727 -6.588 -0.606 130 HB1 ALA 16 1HB ALA 16 14.140 -8.914 -1.137 131 HB2 ALA 16 2HB ALA 16 15.440 -8.317 -2.167 132 HB3 ALA 16 3HB ALA 16 13.801 -8.440 -2.801 133 H ASP 17 HN ASP 17 12.628 -6.034 -3.342 134 HA ASP 17 HA ASP 17 14.565 -5.134 -5.188 135 HB2 ASP 17 2HB ASP 17 12.349 -5.926 -5.847 136 HB3 ASP 17 1HB ASP 17 11.603 -4.577 -5.021 137 H ALA 18 HN ALA 18 12.527 -3.462 -2.894 138 HA ALA 18 HA ALA 18 13.196 -0.847 -3.843 139 HB1 ALA 18 1HB ALA 18 11.065 -1.331 -2.731 140 HB2 ALA 18 2HB ALA 18 11.952 -0.029 -1.939 141 HB3 ALA 18 3HB ALA 18 11.935 -1.642 -1.228 142 H TYR 19 HN TYR 19 14.369 -2.924 -1.269 143 HA TYR 19 HA TYR 19 15.800 -0.854 0.070 144 HB2 TYR 19 2HB TYR 19 15.550 -3.806 0.370 145 HB3 TYR 19 1HB TYR 19 16.931 -3.010 1.121 146 HD1 TYR 19 1HD TYR 19 13.249 -2.464 0.782 147 HD2 TYR 19 2HD TYR 19 16.667 -2.329 3.311 148 HE1 TYR 19 1HE TYR 19 11.829 -1.743 2.648 149 HE2 TYR 19 2HE TYR 19 15.250 -1.613 5.190 150 HH TYR 19 HH TYR 19 13.095 -0.494 5.543 151 HA PRO 20 HA PRO 20 17.894 -1.361 1.547 152 HB2 PRO 20 2HB PRO 20 19.855 0.479 1.769 153 HB3 PRO 20 1HB PRO 20 20.179 -1.253 1.641 154 HG2 PRO 20 2HG PRO 20 20.294 0.858 -0.478 155 HG3 PRO 20 1HG PRO 20 21.431 -0.463 -0.153 156 HD2 PRO 20 2HD PRO 20 19.558 -0.581 -2.115 157 HD3 PRO 20 1HD PRO 20 20.139 -2.016 -1.249 158 H GLU 21 HN GLU 21 17.154 0.696 -1.020 159 HA GLU 21 HA GLU 21 16.801 3.148 0.361 160 HB2 GLU 21 2HB GLU 21 15.595 2.092 -2.193 161 HB3 GLU 21 1HB GLU 21 15.307 3.719 -1.589 162 HG2 GLU 21 2HG GLU 21 17.676 4.215 -1.739 163 HG3 GLU 21 1HG GLU 21 17.997 2.567 -2.281 164 H GLU 22 HN GLU 22 14.799 4.186 0.879 165 HA GLU 22 HA GLU 22 13.049 2.522 2.383 166 HB2 GLU 22 2HB GLU 22 12.832 5.454 1.654 167 HB3 GLU 22 1HB GLU 22 11.773 4.630 2.785 168 HG2 GLU 22 2HG GLU 22 13.360 5.813 4.065 169 HG3 GLU 22 1HG GLU 22 13.802 4.111 4.165 170 H GLY 23 HN GLY 23 11.864 1.128 1.194 171 HA2 GLY 23 2HA GLY 23 10.738 1.899 -1.350 172 HA3 GLY 23 1HA GLY 23 10.604 0.328 -0.580 173 H CYS 24 HN CYS 24 9.607 3.611 0.326 174 HA CYS 24 HA CYS 24 7.190 2.747 1.534 175 HB2 CYS 24 2HB CYS 24 6.682 5.264 1.438 176 HB3 CYS 24 1HB CYS 24 8.092 4.752 2.356 177 HG CYS 24 HG CYS 24 8.116 7.141 0.378 178 H GLY 25 HN GLY 25 5.043 3.187 0.894 179 HA2 GLY 25 2HA GLY 25 4.315 4.181 -1.647 180 HA3 GLY 25 1HA GLY 25 4.365 2.422 -1.693 181 H PHE 26 HN PHE 26 1.988 3.365 -2.204 182 HA PHE 26 HA PHE 26 0.499 3.071 0.318 183 HB2 PHE 26 2HB PHE 26 -0.140 4.866 -2.030 184 HB3 PHE 26 1HB PHE 26 -1.288 4.498 -0.748 185 HD1 PHE 26 1HD PHE 26 -0.998 5.403 1.480 186 HD2 PHE 26 2HD PHE 26 1.746 6.319 -1.640 187 HE1 PHE 26 1HE PHE 26 -0.101 7.260 2.820 188 HE2 PHE 26 2HE PHE 26 2.646 8.180 -0.307 189 HZ PHE 26 HZ PHE 26 1.724 8.652 1.927 190 H LEU 27 HN LEU 27 -1.674 2.180 0.049 191 HA LEU 27 HA LEU 27 -1.668 0.071 -1.980 192 HB2 LEU 27 2HB LEU 27 -3.485 0.491 0.402 193 HB3 LEU 27 1HB LEU 27 -3.493 -0.907 -0.656 194 HG LEU 27 HG LEU 27 -1.179 -0.102 1.107 195 HD11 LEU 27 1HD1 LEU 27 -3.100 -0.810 2.423 196 HD12 LEU 27 2HD1 LEU 27 -1.822 -2.023 2.472 197 HD13 LEU 27 3HD1 LEU 27 -3.238 -2.276 1.452 198 HD21 LEU 27 3HD2 LEU 27 -1.668 -2.593 -0.527 199 HD22 LEU 27 1HD2 LEU 27 -0.303 -2.317 0.553 200 HD23 LEU 27 2HD2 LEU 27 -0.495 -1.327 -0.895 201 H LEU 28 HN LEU 28 -2.646 0.545 -3.839 202 HA LEU 28 HA LEU 28 -4.854 2.477 -3.792 203 HB2 LEU 28 2HB LEU 28 -3.221 1.555 -6.155 204 HB3 LEU 28 1HB LEU 28 -4.404 2.849 -6.144 205 HG LEU 28 HG LEU 28 -1.730 2.839 -4.748 206 HD11 LEU 28 1HD1 LEU 28 -2.811 4.508 -7.011 207 HD12 LEU 28 2HD1 LEU 28 -1.612 3.222 -7.150 208 HD13 LEU 28 3HD1 LEU 28 -1.228 4.693 -6.255 209 HD21 LEU 28 3HD2 LEU 28 -3.362 3.965 -3.348 210 HD22 LEU 28 1HD2 LEU 28 -3.903 4.930 -4.722 211 HD23 LEU 28 2HD2 LEU 28 -2.272 5.141 -4.083 212 H GLY 29 HN GLY 29 -6.849 1.893 -4.366 213 HA2 GLY 29 2HA GLY 29 -7.452 -0.275 -6.101 214 HA3 GLY 29 1HA GLY 29 -7.655 -0.758 -4.419 215 H THR 30 HN THR 30 -9.878 -0.969 -4.495 216 HA THR 30 HA THR 30 -11.307 1.590 -4.749 217 HB THR 30 HB THR 30 -13.283 0.230 -5.606 218 HG1 THR 30 1HG THR 30 -12.780 -1.753 -6.579 219 HG21 THR 30 3HG2 THR 30 -12.494 0.279 -7.934 220 HG22 THR 30 1HG2 THR 30 -10.838 0.473 -7.359 221 HG23 THR 30 2HG2 THR 30 -12.031 1.735 -7.053 222 H VAL 31 HN VAL 31 -13.308 1.694 -3.532 223 HA VAL 31 HA VAL 31 -13.171 0.141 -1.077 224 HB VAL 31 HB VAL 31 -15.128 2.305 -1.858 225 HG11 VAL 31 1HG1 VAL 31 -15.624 2.426 0.547 226 HG12 VAL 31 2HG1 VAL 31 -14.567 1.042 0.823 227 HG13 VAL 31 3HG1 VAL 31 -16.034 0.853 -0.138 228 HG21 VAL 31 3HG2 VAL 31 -13.808 3.768 -0.401 229 HG22 VAL 31 1HG2 VAL 31 -12.864 3.176 -1.766 230 HG23 VAL 31 2HG2 VAL 31 -12.639 2.469 -0.166 231 H THR 32 HN THR 32 -13.988 -1.759 -1.147 232 HA THR 32 HA THR 32 -16.150 -2.398 -3.013 233 HB THR 32 HB THR 32 -14.212 -3.763 -3.336 234 HG1 THR 32 1HG THR 32 -16.039 -5.342 -1.795 235 HG21 THR 32 3HG2 THR 32 -13.209 -5.100 -1.560 236 HG22 THR 32 1HG2 THR 32 -14.335 -4.407 -0.395 237 HG23 THR 32 2HG2 THR 32 -13.138 -3.379 -1.182 238 H ASP 33 HN ASP 33 -17.922 -3.671 -2.321 239 HA ASP 33 HA ASP 33 -19.581 -4.370 -0.927 240 HB2 ASP 33 2HB ASP 33 -17.407 -4.241 1.169 241 HB3 ASP 33 1HB ASP 33 -19.007 -4.904 1.420 242 H ASP 34 HN ASP 34 -18.212 -1.504 -0.947 243 HA ASP 34 HA ASP 34 -18.380 0.546 -0.016 244 HB2 ASP 34 2HB ASP 34 -20.721 0.132 -0.942 245 HB3 ASP 34 1HB ASP 34 -21.213 -0.133 0.725 246 H GLY 35 HN GLY 35 -16.976 -0.664 1.536 247 HA2 GLY 35 2HA GLY 35 -17.271 0.340 4.087 248 HA3 GLY 35 1HA GLY 35 -17.969 -1.274 4.133 249 H ASP 36 HN ASP 36 -16.124 -2.327 2.130 250 HA ASP 36 HA ASP 36 -13.738 -2.508 3.840 251 HB2 ASP 36 2HB ASP 36 -15.146 -4.600 3.325 252 HB3 ASP 36 1HB ASP 36 -14.503 -4.484 1.690 253 H ASN 37 HN ASN 37 -11.799 -3.325 2.261 254 HA ASN 37 HA ASN 37 -11.653 -1.425 0.044 255 HB2 ASN 37 2HB ASN 37 -9.451 -0.651 0.883 256 HB3 ASN 37 1HB ASN 37 -10.778 -0.219 1.947 257 HD21 ASN 37 1HD2 ASN 37 -8.002 -0.352 2.606 258 HD22 ASN 37 2HD2 ASN 37 -7.834 -1.535 3.861 259 H ARG 38 HN ARG 38 -10.707 -2.291 -1.717 260 HA ARG 38 HA ARG 38 -9.010 -4.650 -1.268 261 HB2 ARG 38 2HB ARG 38 -9.714 -5.650 -3.267 262 HB3 ARG 38 1HB ARG 38 -11.184 -5.091 -2.491 263 HG2 ARG 38 2HG ARG 38 -11.187 -3.149 -3.968 264 HG3 ARG 38 1HG ARG 38 -9.744 -3.757 -4.763 265 HD2 ARG 38 2HD ARG 38 -11.797 -4.309 -6.014 266 HD3 ARG 38 1HD ARG 38 -10.912 -5.740 -5.490 267 HE ARG 38 HE ARG 38 -13.379 -4.732 -4.229 268 HH11 ARG 38 1HH1 ARG 38 -11.182 -7.352 -5.010 269 HH12 ARG 38 2HH1 ARG 38 -12.245 -8.578 -4.393 270 HH21 ARG 38 1HH2 ARG 38 -14.773 -6.353 -3.405 271 HH22 ARG 38 2HH2 ARG 38 -14.279 -8.026 -3.465 272 H VAL 39 HN VAL 39 -7.194 -4.896 -2.473 273 HA VAL 39 HA VAL 39 -6.070 -2.359 -3.433 274 HB VAL 39 HB VAL 39 -4.600 -4.860 -2.576 275 HG11 VAL 39 1HG1 VAL 39 -2.614 -3.441 -2.573 276 HG12 VAL 39 2HG1 VAL 39 -3.577 -2.079 -3.149 277 HG13 VAL 39 3HG1 VAL 39 -3.352 -3.497 -4.174 278 HG21 VAL 39 3HG2 VAL 39 -4.026 -3.614 -0.543 279 HG22 VAL 39 1HG2 VAL 39 -5.767 -3.850 -0.692 280 HG23 VAL 39 2HG2 VAL 39 -5.055 -2.282 -1.073 281 H ALA 40 HN ALA 40 -5.878 -2.122 -5.544 282 HA ALA 40 HA ALA 40 -5.896 -4.535 -7.228 283 HB1 ALA 40 1HB ALA 40 -6.723 -1.728 -7.960 284 HB2 ALA 40 2HB ALA 40 -7.818 -3.039 -7.519 285 HB3 ALA 40 3HB ALA 40 -6.846 -3.157 -8.985 286 H ALA 41 HN ALA 41 -4.079 -1.705 -6.386 287 HA ALA 41 HA ALA 41 -1.938 -2.538 -8.154 288 HB1 ALA 41 1HB ALA 41 -3.287 -1.102 -9.608 289 HB2 ALA 41 2HB ALA 41 -1.711 -0.389 -9.269 290 HB3 ALA 41 3HB ALA 41 -3.146 0.211 -8.438 291 H LEU 42 HN LEU 42 0.059 -1.598 -7.663 292 HA LEU 42 HA LEU 42 0.163 -0.133 -5.112 293 HB2 LEU 42 2HB LEU 42 2.225 -2.006 -6.287 294 HB3 LEU 42 1HB LEU 42 2.389 -1.128 -4.779 295 HG LEU 42 HG LEU 42 0.322 -3.259 -5.315 296 HD11 LEU 42 1HD1 LEU 42 2.869 -3.366 -3.706 297 HD12 LEU 42 2HD1 LEU 42 2.586 -4.169 -5.251 298 HD13 LEU 42 3HD1 LEU 42 1.663 -4.648 -3.827 299 HD21 LEU 42 3HD2 LEU 42 1.079 -1.799 -2.789 300 HD22 LEU 42 1HD2 LEU 42 -0.060 -3.139 -2.900 301 HD23 LEU 42 2HD2 LEU 42 -0.423 -1.607 -3.694 302 H HIS 43 HN HIS 43 1.681 1.587 -4.976 303 HA HIS 43 HA HIS 43 3.174 2.240 -7.388 304 HB2 HIS 43 2HB HIS 43 0.909 3.375 -7.520 305 HB3 HIS 43 1HB HIS 43 1.381 4.308 -6.104 306 HD1 HIS 43 1HD HIS 43 2.695 3.629 -9.613 307 HD2 HIS 43 2HD HIS 43 2.645 6.628 -6.724 308 HE1 HIS 43 1HE HIS 43 3.761 5.636 -10.697 309 HE2 HIS 43 2HE HIS 43 3.581 7.484 -8.988 310 H ARG 44 HN ARG 44 5.084 3.134 -6.974 311 HA ARG 44 HA ARG 44 6.007 3.261 -4.276 312 HB2 ARG 44 2HB ARG 44 7.180 3.579 -6.980 313 HB3 ARG 44 1HB ARG 44 8.022 4.388 -5.664 314 HG2 ARG 44 2HG ARG 44 7.257 1.498 -5.487 315 HG3 ARG 44 1HG ARG 44 8.751 2.020 -6.271 316 HD2 ARG 44 2HD ARG 44 8.067 2.988 -3.523 317 HD3 ARG 44 1HD ARG 44 8.778 1.390 -3.748 318 HE ARG 44 HE ARG 44 10.584 2.692 -5.020 319 HH11 ARG 44 1HH1 ARG 44 8.803 4.015 -2.292 320 HH12 ARG 44 2HH1 ARG 44 10.119 5.011 -1.757 321 HH21 ARG 44 1HH2 ARG 44 12.318 4.000 -4.303 322 HH22 ARG 44 2HH2 ARG 44 12.112 5.003 -2.901 323 H ALA 45 HN ALA 45 6.252 4.921 -2.972 324 HA ALA 45 HA ALA 45 5.603 7.608 -3.930 325 HB1 ALA 45 1HB ALA 45 5.976 6.561 -1.120 326 HB2 ALA 45 2HB ALA 45 4.429 6.808 -1.930 327 HB3 ALA 45 3HB ALA 45 5.458 8.192 -1.556 328 H THR 46 HN THR 46 7.084 9.122 -2.135 329 HA THR 46 HA THR 46 9.859 8.333 -2.739 330 HB THR 46 HB THR 46 9.018 10.350 -4.047 331 HG1 THR 46 1HG THR 46 11.012 11.480 -2.558 332 HG21 THR 46 3HG2 THR 46 9.079 11.625 -1.310 333 HG22 THR 46 1HG2 THR 46 7.644 11.360 -2.304 334 HG23 THR 46 2HG2 THR 46 8.893 12.483 -2.841 335 H ASN 47 HN ASN 47 11.388 9.540 -1.145 336 HA ASN 47 HA ASN 47 10.407 9.190 1.536 337 HB2 ASN 47 2HB ASN 47 12.821 8.808 0.796 338 HB3 ASN 47 1HB ASN 47 12.982 10.561 0.740 339 HD21 ASN 47 1HD2 ASN 47 14.211 8.437 2.451 340 HD22 ASN 47 2HD2 ASN 47 13.930 8.977 4.072 341 H ARG 48 HN ARG 48 8.730 10.538 1.775 342 HA ARG 48 HA ARG 48 8.251 12.973 0.722 343 HB2 ARG 48 2HB ARG 48 6.983 13.272 3.107 344 HB3 ARG 48 1HB ARG 48 6.360 12.359 1.743 345 HG2 ARG 48 2HG ARG 48 6.109 11.040 3.715 346 HG3 ARG 48 1HG ARG 48 7.370 10.311 2.724 347 HD2 ARG 48 2HD ARG 48 8.028 10.299 5.052 348 HD3 ARG 48 1HD ARG 48 9.074 11.383 4.135 349 HE ARG 48 HE ARG 48 6.863 12.750 5.314 350 HH11 ARG 48 1HH1 ARG 48 10.054 11.473 5.959 351 HH12 ARG 48 2HH1 ARG 48 10.354 12.539 7.299 352 HH21 ARG 48 1HH2 ARG 48 7.244 14.166 7.054 353 HH22 ARG 48 2HH2 ARG 48 8.753 14.081 7.913 354 H ARG 49 HN ARG 49 8.946 14.919 0.840 355 HA ARG 49 HA ARG 49 10.452 15.798 3.215 356 HB2 ARG 49 2HB ARG 49 11.653 17.367 1.640 357 HB3 ARG 49 1HB ARG 49 12.032 15.666 1.421 358 HG2 ARG 49 2HG ARG 49 9.905 16.929 -0.249 359 HG3 ARG 49 1HG ARG 49 11.604 17.196 -0.639 360 HD2 ARG 49 2HD ARG 49 11.979 14.959 -1.125 361 HD3 ARG 49 1HD ARG 49 10.584 14.419 -0.189 362 HE ARG 49 HE ARG 49 9.250 15.610 -2.016 363 HH11 ARG 49 1HH1 ARG 49 12.258 13.879 -2.531 364 HH12 ARG 49 2HH1 ARG 49 11.940 13.592 -4.214 365 HH21 ARG 49 1HH2 ARG 49 8.822 15.217 -4.196 366 HH22 ARG 49 2HH2 ARG 49 9.988 14.373 -5.176 367 H SER 50 HN SER 50 7.873 15.996 3.392 368 HA SER 50 HA SER 50 6.565 18.059 1.988 369 HB2 SER 50 2HB SER 50 4.875 17.680 3.958 370 HB3 SER 50 1HB SER 50 5.140 16.414 2.759 371 HG SER 50 HG SER 50 5.835 16.503 5.446 372 H GLU 51 HN GLU 51 8.821 18.347 4.435 373 HA GLU 51 HA GLU 51 9.631 20.166 5.542 374 HB2 GLU 51 2HB GLU 51 8.605 21.215 3.276 375 HB3 GLU 51 1HB GLU 51 7.592 22.030 4.456 376 HG2 GLU 51 2HG GLU 51 9.651 22.825 5.590 377 HG3 GLU 51 1HG GLU 51 10.591 22.111 4.280 378 H GLN 52 HN GLN 52 8.322 22.386 6.667 379 HA GLN 52 HA GLN 52 7.071 21.193 8.923 380 HB2 GLN 52 2HB GLN 52 7.089 24.123 8.167 381 HB3 GLN 52 1HB GLN 52 6.764 23.456 9.757 382 HG2 GLN 52 2HG GLN 52 8.941 24.195 9.949 383 HG3 GLN 52 1HG GLN 52 9.142 22.481 9.603 384 HE21 GLN 52 1HE2 GLN 52 8.277 24.930 7.234 385 HE22 GLN 52 2HE2 GLN 52 9.738 24.817 6.321 386 H ARG 53 HN ARG 53 4.970 20.914 9.386 387 HA ARG 53 HA ARG 53 3.111 21.111 7.191 388 HB2 ARG 53 2HB ARG 53 2.647 20.156 10.025 389 HB3 ARG 53 1HB ARG 53 1.603 19.862 8.639 390 HG2 ARG 53 2HG ARG 53 3.192 18.431 7.628 391 HG3 ARG 53 1HG ARG 53 4.452 18.922 8.759 392 HD2 ARG 53 2HD ARG 53 3.164 17.894 10.595 393 HD3 ARG 53 1HD ARG 53 1.967 17.345 9.419 394 HE ARG 53 HE ARG 53 4.226 16.309 8.421 395 HH11 ARG 53 1HH1 ARG 53 2.980 16.304 11.688 396 HH12 ARG 53 2HH1 ARG 53 3.645 14.751 12.090 397 HH21 ARG 53 1HH2 ARG 53 5.125 14.274 8.929 398 HH22 ARG 53 2HH2 ARG 53 4.894 13.591 10.514 399 H THR 54 HN THR 54 2.680 23.269 6.864 400 HA THR 54 HA THR 54 1.890 25.018 8.981 401 HB THR 54 HB THR 54 1.524 25.417 6.002 402 HG1 THR 54 1HG THR 54 3.751 25.717 7.728 403 HG21 THR 54 3HG2 THR 54 0.268 26.995 7.388 404 HG22 THR 54 1HG2 THR 54 1.614 27.801 6.580 405 HG23 THR 54 2HG2 THR 54 1.734 27.380 8.288 406 H ARG 55 HN ARG 55 -0.089 25.497 9.709 407 HA ARG 55 HA ARG 55 -2.273 23.787 8.879 408 HB2 ARG 55 2HB ARG 55 -1.835 25.707 11.140 409 HB3 ARG 55 1HB ARG 55 -3.434 25.055 10.808 410 HG2 ARG 55 2HG ARG 55 -1.026 23.317 11.257 411 HG3 ARG 55 1HG ARG 55 -2.090 23.854 12.561 412 HD2 ARG 55 2HD ARG 55 -3.993 22.811 11.441 413 HD3 ARG 55 1HD ARG 55 -2.941 22.287 10.128 414 HE ARG 55 HE ARG 55 -1.861 20.794 11.674 415 HH11 ARG 55 1HH1 ARG 55 -4.789 22.292 12.860 416 HH12 ARG 55 2HH1 ARG 55 -5.156 21.013 13.975 417 HH21 ARG 55 1HH2 ARG 55 -2.306 19.120 13.143 418 HH22 ARG 55 2HH2 ARG 55 -3.718 19.208 14.157 419 H ARG 56 HN ARG 56 -1.528 27.246 8.815 420 HA ARG 56 HA ARG 56 -4.254 27.804 7.917 421 HB2 ARG 56 2HB ARG 56 -2.060 29.610 8.914 422 HB3 ARG 56 1HB ARG 56 -3.595 30.204 8.295 423 HG2 ARG 56 2HG ARG 56 -4.792 29.070 10.049 424 HG3 ARG 56 1HG ARG 56 -3.298 28.328 10.629 425 HD2 ARG 56 2HD ARG 56 -2.402 30.540 11.151 426 HD3 ARG 56 1HD ARG 56 -3.889 31.286 10.563 427 HE ARG 56 HE ARG 56 -5.055 30.307 12.417 428 HH11 ARG 56 1HH1 ARG 56 -1.562 30.123 12.565 429 HH12 ARG 56 2HH1 ARG 56 -1.518 29.850 14.285 430 HH21 ARG 56 1HH2 ARG 56 -5.004 29.945 14.676 431 HH22 ARG 56 2HH2 ARG 56 -3.478 29.745 15.479 432 H TYR 57 HN TYR 57 -1.214 27.354 6.501 433 HA TYR 57 HA TYR 57 -2.051 29.002 4.213 434 HB2 TYR 57 2HB TYR 57 -0.034 29.852 5.525 435 HB3 TYR 57 1HB TYR 57 0.831 28.453 4.898 436 HD1 TYR 57 1HD TYR 57 -1.680 30.502 3.097 437 HD2 TYR 57 2HD TYR 57 2.433 29.492 3.507 438 HE1 TYR 57 1HE TYR 57 -1.176 31.763 1.052 439 HE2 TYR 57 2HE TYR 57 2.948 30.751 1.457 440 HH TYR 57 HH TYR 57 1.900 31.578 -0.508 441 H GLU 58 HN GLU 58 -2.267 27.996 2.353 442 HA GLU 58 HA GLU 58 -1.695 25.164 2.184 443 HB2 GLU 58 2HB GLU 58 -3.841 26.113 1.377 444 HB3 GLU 58 1HB GLU 58 -2.958 27.030 0.165 445 HG2 GLU 58 2HG GLU 58 -2.091 24.781 -0.658 446 HG3 GLU 58 1HG GLU 58 -3.357 24.066 0.339 447 H LEU 59 HN LEU 59 0.022 24.308 1.221 448 HA LEU 59 HA LEU 59 1.468 25.901 -0.791 449 HB2 LEU 59 2HB LEU 59 2.554 23.985 1.272 450 HB3 LEU 59 1HB LEU 59 3.470 24.443 -0.149 451 HG LEU 59 HG LEU 59 4.289 25.788 1.588 452 HD11 LEU 59 1HD1 LEU 59 3.659 28.070 0.953 453 HD12 LEU 59 2HD1 LEU 59 2.290 27.426 0.046 454 HD13 LEU 59 3HD1 LEU 59 3.936 27.033 -0.448 455 HD21 LEU 59 3HD2 LEU 59 1.439 26.440 2.318 456 HD22 LEU 59 1HD2 LEU 59 2.876 27.143 3.063 457 HD23 LEU 59 2HD2 LEU 59 2.550 25.417 3.231 458 H THR 60 HN THR 60 3.069 23.970 -1.861 459 HA THR 60 HA THR 60 1.202 22.309 -3.288 460 HB THR 60 HB THR 60 3.048 23.274 -4.531 461 HG1 THR 60 1HG THR 60 2.455 21.300 -5.367 462 HG21 THR 60 3HG2 THR 60 4.683 23.454 -2.733 463 HG22 THR 60 1HG2 THR 60 5.375 22.612 -4.123 464 HG23 THR 60 2HG2 THR 60 4.863 21.701 -2.704 465 H ALA 61 HN ALA 61 0.882 20.139 -3.063 466 HA ALA 61 HA ALA 61 1.829 18.978 -0.578 467 HB1 ALA 61 1HB ALA 61 0.161 17.247 -0.971 468 HB2 ALA 61 2HB ALA 61 -0.192 17.936 -2.557 469 HB3 ALA 61 3HB ALA 61 -0.548 18.854 -1.093 470 H ASP 62 HN ASP 62 3.715 17.988 -0.621 471 HA ASP 62 HA ASP 62 4.706 16.765 -3.058 472 HB2 ASP 62 2HB ASP 62 6.244 18.145 -1.796 473 HB3 ASP 62 1HB ASP 62 5.955 17.207 -0.336 474 H ASP 63 HN ASP 63 5.388 14.628 -3.223 475 HA ASP 63 HA ASP 63 5.429 12.395 -2.963 476 HB2 ASP 63 2HB ASP 63 6.474 12.793 -0.801 477 HB3 ASP 63 1HB ASP 63 4.891 12.974 -0.048 478 H TYR 64 HN TYR 64 2.905 13.184 -0.574 479 HA TYR 64 HA TYR 64 1.362 10.953 -1.072 480 HB2 TYR 64 2HB TYR 64 0.906 12.188 0.901 481 HB3 TYR 64 1HB TYR 64 0.578 13.663 -0.006 482 HD1 TYR 64 2HD TYR 64 -0.717 10.222 0.604 483 HD2 TYR 64 1HD TYR 64 -1.611 14.186 -0.670 484 HE1 TYR 64 2HE TYR 64 -3.110 9.651 0.518 485 HE2 TYR 64 1HE TYR 64 -4.002 13.625 -0.758 486 HH TYR 64 HH TYR 64 -5.354 11.440 -1.103 487 H ARG 65 HN ARG 65 1.052 14.159 -2.572 488 HA ARG 65 HA ARG 65 -1.301 13.776 -3.955 489 HB2 ARG 65 2HB ARG 65 0.928 15.612 -4.090 490 HB3 ARG 65 1HB ARG 65 0.203 15.317 -5.668 491 HG2 ARG 65 2HG ARG 65 -1.273 16.182 -3.193 492 HG3 ARG 65 1HG ARG 65 -0.822 17.205 -4.546 493 HD2 ARG 65 2HD ARG 65 -2.149 15.594 -6.008 494 HD3 ARG 65 1HD ARG 65 -2.799 14.948 -4.504 495 HE ARG 65 HE ARG 65 -3.078 17.787 -4.677 496 HH11 ARG 65 1HH1 ARG 65 -4.566 14.718 -5.528 497 HH12 ARG 65 2HH1 ARG 65 -6.097 15.443 -5.923 498 HH21 ARG 65 1HH2 ARG 65 -5.096 18.710 -5.133 499 HH22 ARG 65 2HH2 ARG 65 -6.403 17.707 -5.697 500 H ALA 66 HN ALA 66 1.913 12.615 -4.798 501 HA ALA 66 HA ALA 66 1.315 12.062 -7.506 502 HB1 ALA 66 1HB ALA 66 3.615 12.230 -6.672 503 HB2 ALA 66 2HB ALA 66 3.336 10.703 -7.507 504 HB3 ALA 66 3HB ALA 66 3.384 10.749 -5.744 505 H ALA 67 HN ALA 67 1.299 9.967 -4.625 506 HA ALA 67 HA ALA 67 0.285 7.697 -6.019 507 HB1 ALA 67 1HB ALA 67 -0.117 6.758 -3.803 508 HB2 ALA 67 2HB ALA 67 0.162 8.337 -3.071 509 HB3 ALA 67 3HB ALA 67 1.480 7.497 -3.887 510 H ASP 68 HN ASP 68 -1.110 10.391 -4.297 511 HA ASP 68 HA ASP 68 -3.791 9.554 -4.188 512 HB2 ASP 68 2HB ASP 68 -2.951 11.412 -2.867 513 HB3 ASP 68 1HB ASP 68 -2.585 12.327 -4.322 514 H ALA 69 HN ALA 69 -2.055 11.530 -6.585 515 HA ALA 69 HA ALA 69 -4.338 11.960 -8.226 516 HB1 ALA 69 1HB ALA 69 -2.402 13.457 -8.244 517 HB2 ALA 69 2HB ALA 69 -2.763 12.847 -9.859 518 HB3 ALA 69 3HB ALA 69 -1.415 12.172 -8.942 519 H ALA 70 HN ALA 70 -1.553 9.761 -8.509 520 HA ALA 70 HA ALA 70 -2.234 8.627 -10.970 521 HB1 ALA 70 1HB ALA 70 -0.769 7.310 -8.681 522 HB2 ALA 70 2HB ALA 70 -0.046 8.334 -9.921 523 HB3 ALA 70 3HB ALA 70 -0.757 6.783 -10.364 524 H ALA 71 HN ALA 71 -3.325 7.844 -7.713 525 HA ALA 71 HA ALA 71 -4.654 5.442 -8.340 526 HB1 ALA 71 1HB ALA 71 -5.388 7.477 -6.238 527 HB2 ALA 71 2HB ALA 71 -4.177 6.210 -6.046 528 HB3 ALA 71 3HB ALA 71 -5.873 5.781 -6.274 529 H GLN 72 HN GLN 72 -5.850 8.797 -8.149 530 HA GLN 72 HA GLN 72 -8.494 8.178 -8.929 531 HB2 GLN 72 2HB GLN 72 -6.960 10.774 -9.103 532 HB3 GLN 72 1HB GLN 72 -8.691 10.621 -9.370 533 HG2 GLN 72 2HG GLN 72 -8.999 9.855 -7.090 534 HG3 GLN 72 1HG GLN 72 -7.260 9.946 -6.811 535 HE21 GLN 72 1HE2 GLN 72 -6.284 11.947 -6.577 536 HE22 GLN 72 2HE2 GLN 72 -7.196 13.394 -6.321 537 H GLU 73 HN GLU 73 -5.615 9.059 -10.734 538 HA GLU 73 HA GLU 73 -6.747 9.417 -13.261 539 HB2 GLU 73 2HB GLU 73 -4.043 8.409 -12.391 540 HB3 GLU 73 1HB GLU 73 -4.445 8.756 -14.058 541 HG2 GLU 73 2HG GLU 73 -4.915 11.079 -13.452 542 HG3 GLU 73 1HG GLU 73 -4.470 10.719 -11.787 543 H GLN 74 HN GLN 74 -5.722 6.550 -11.554 544 HA GLN 74 HA GLN 74 -6.362 4.824 -13.792 545 HB2 GLN 74 2HB GLN 74 -5.208 4.355 -11.052 546 HB3 GLN 74 1HB GLN 74 -5.598 3.038 -12.149 547 HG2 GLN 74 2HG GLN 74 -4.021 3.792 -13.754 548 HG3 GLN 74 1HG GLN 74 -3.775 5.307 -12.892 549 HE21 GLN 74 1HE2 GLN 74 -3.650 4.109 -10.286 550 HE22 GLN 74 2HE2 GLN 74 -2.136 3.283 -10.191 551 H GLY 75 HN GLY 75 -8.265 6.337 -11.670 552 HA2 GLY 75 2HA GLY 75 -10.520 6.002 -11.242 553 HA3 GLY 75 1HA GLY 75 -10.398 4.435 -12.027 554 H LEU 76 HN LEU 76 -8.114 5.053 -9.583 555 HA LEU 76 HA LEU 76 -9.599 3.321 -7.718 556 HB2 LEU 76 2HB LEU 76 -6.607 3.662 -7.983 557 HB3 LEU 76 1HB LEU 76 -7.433 2.544 -6.919 558 HG LEU 76 HG LEU 76 -7.479 2.412 -9.937 559 HD11 LEU 76 1HD1 LEU 76 -5.271 1.901 -9.049 560 HD12 LEU 76 2HD1 LEU 76 -6.055 0.441 -9.650 561 HD13 LEU 76 3HD1 LEU 76 -5.978 0.749 -7.916 562 HD21 LEU 76 3HD2 LEU 76 -8.493 0.213 -9.584 563 HD22 LEU 76 1HD2 LEU 76 -9.498 1.501 -8.924 564 HD23 LEU 76 2HD2 LEU 76 -8.522 0.505 -7.845 565 H ASP 77 HN ASP 77 -8.457 3.649 -5.403 566 HA ASP 77 HA ASP 77 -7.594 6.379 -4.967 567 HB2 ASP 77 2HB ASP 77 -9.204 6.786 -3.165 568 HB3 ASP 77 1HB ASP 77 -10.016 6.563 -4.705 569 H VAL 78 HN VAL 78 -7.042 6.644 -2.548 570 HA VAL 78 HA VAL 78 -5.222 4.510 -1.918 571 HB VAL 78 HB VAL 78 -5.830 6.964 -0.257 572 HG11 VAL 78 1HG1 VAL 78 -4.646 5.188 0.936 573 HG12 VAL 78 2HG1 VAL 78 -3.607 6.589 0.682 574 HG13 VAL 78 3HG1 VAL 78 -3.414 5.155 -0.325 575 HG21 VAL 78 3HG2 VAL 78 -5.170 7.624 -2.516 576 HG22 VAL 78 1HG2 VAL 78 -3.737 6.602 -2.406 577 HG23 VAL 78 2HG2 VAL 78 -3.901 8.008 -1.354 578 H VAL 79 HN VAL 79 -5.993 2.712 -1.012 579 HA VAL 79 HA VAL 79 -8.229 2.941 0.878 580 HB VAL 79 HB VAL 79 -8.563 0.523 0.539 581 HG11 VAL 79 1HG1 VAL 79 -9.433 0.656 -1.736 582 HG12 VAL 79 2HG1 VAL 79 -8.468 2.102 -2.031 583 HG13 VAL 79 3HG1 VAL 79 -9.770 2.138 -0.841 584 HG21 VAL 79 3HG2 VAL 79 -7.361 -0.649 -1.250 585 HG22 VAL 79 1HG2 VAL 79 -6.266 -0.116 0.028 586 HG23 VAL 79 2HG2 VAL 79 -6.344 0.773 -1.493 587 H GLY 80 HN GLY 80 -4.909 2.633 0.901 588 HA2 GLY 80 2HA GLY 80 -4.814 2.200 3.692 589 HA3 GLY 80 1HA GLY 80 -4.407 0.708 2.856 590 H VAL 81 HN VAL 81 -2.510 1.601 4.404 591 HA VAL 81 HA VAL 81 -0.591 2.917 2.588 592 HB VAL 81 HB VAL 81 -0.329 3.008 5.578 593 HG11 VAL 81 1HG1 VAL 81 1.656 3.519 4.308 594 HG12 VAL 81 2HG1 VAL 81 1.054 4.978 5.096 595 HG13 VAL 81 3HG1 VAL 81 0.775 4.727 3.373 596 HG21 VAL 81 3HG2 VAL 81 -2.494 4.015 5.088 597 HG22 VAL 81 1HG2 VAL 81 -1.743 5.054 3.873 598 HG23 VAL 81 2HG2 VAL 81 -1.329 5.248 5.577 599 H TYR 82 HN TYR 82 1.569 2.165 2.745 600 HA TYR 82 HA TYR 82 1.919 -0.431 4.055 601 HB2 TYR 82 2HB TYR 82 1.401 -1.176 1.910 602 HB3 TYR 82 1HB TYR 82 2.176 0.196 1.136 603 HD1 TYR 82 1HD TYR 82 2.781 -3.038 2.813 604 HD2 TYR 82 2HD TYR 82 4.470 0.130 0.533 605 HE1 TYR 82 1HE TYR 82 4.786 -4.402 2.407 606 HE2 TYR 82 2HE TYR 82 6.478 -1.221 0.124 607 HH TYR 82 HH TYR 82 7.652 -3.176 1.320 608 H HIS 83 HN HIS 83 3.841 -0.676 4.986 609 HA HIS 83 HA HIS 83 6.135 0.713 3.938 610 HB2 HIS 83 2HB HIS 83 6.815 1.710 6.091 611 HB3 HIS 83 1HB HIS 83 5.345 2.421 5.451 612 HD1 HIS 83 1HD HIS 83 3.087 1.724 6.714 613 HD2 HIS 83 2HD HIS 83 6.631 0.724 8.631 614 HE1 HIS 83 1HE HIS 83 2.466 1.334 9.116 615 HE2 HIS 83 2HE HIS 83 4.674 1.065 10.296 616 H SER 84 HN SER 84 8.111 -0.159 4.584 617 HA SER 84 HA SER 84 7.893 -2.813 5.813 618 HB2 SER 84 2HB SER 84 10.219 -3.078 4.785 619 HB3 SER 84 1HB SER 84 8.882 -2.937 3.641 620 HG SER 84 HG SER 84 10.975 -1.200 4.165 621 H HIS 85 HN HIS 85 9.363 -3.359 7.544 622 HA HIS 85 HA HIS 85 10.443 -0.936 8.827 623 HB2 HIS 85 2HB HIS 85 8.082 -1.902 9.536 624 HB3 HIS 85 1HB HIS 85 9.070 -3.031 10.451 625 HD1 HIS 85 1HD HIS 85 8.271 -2.100 12.697 626 HD2 HIS 85 2HD HIS 85 10.129 0.724 10.280 627 HE1 HIS 85 1HE HIS 85 8.586 -0.076 14.148 628 HE2 HIS 85 2HE HIS 85 9.855 1.567 12.706 629 HA PRO 86 HA PRO 86 13.534 -3.836 10.381 630 HB2 PRO 86 2HB PRO 86 15.445 -1.959 10.755 631 HB3 PRO 86 1HB PRO 86 15.076 -2.607 9.154 632 HG2 PRO 86 2HG PRO 86 14.577 0.062 10.215 633 HG3 PRO 86 1HG PRO 86 14.474 -0.507 8.543 634 HD2 PRO 86 2HD PRO 86 12.334 -0.155 10.523 635 HD3 PRO 86 1HD PRO 86 12.214 -0.355 8.761 636 H ASP 87 HN ASP 87 15.153 -3.297 12.418 637 HA ASP 87 HA ASP 87 15.376 -2.918 14.652 638 HB2 ASP 87 2HB ASP 87 14.896 -0.594 14.343 639 HB3 ASP 87 1HB ASP 87 13.177 -0.912 14.146 640 H HIS 88 HN HIS 88 11.848 -2.549 14.345 641 HA HIS 88 HA HIS 88 11.562 -5.152 15.699 642 HB2 HIS 88 2HB HIS 88 9.707 -2.779 15.467 643 HB3 HIS 88 1HB HIS 88 9.108 -4.373 15.911 644 HD1 HIS 88 1HD HIS 88 11.492 -1.692 17.176 645 HD2 HIS 88 2HD HIS 88 9.419 -5.038 18.539 646 HE1 HIS 88 1HE HIS 88 11.763 -1.694 19.677 647 HE2 HIS 88 2HE HIS 88 10.604 -3.786 20.473 648 HA PRO 89 HA PRO 89 10.789 -6.632 11.764 649 HB2 PRO 89 2HB PRO 89 9.889 -9.111 12.296 650 HB3 PRO 89 1HB PRO 89 11.527 -8.585 12.692 651 HG2 PRO 89 2HG PRO 89 9.181 -8.973 14.470 652 HG3 PRO 89 1HG PRO 89 10.903 -9.206 14.810 653 HD2 PRO 89 2HD PRO 89 9.345 -6.982 15.529 654 HD3 PRO 89 1HD PRO 89 11.117 -7.079 15.568 655 H ALA 90 HN ALA 90 7.909 -7.652 13.659 656 HA ALA 90 HA ALA 90 6.334 -7.070 11.244 657 HB1 ALA 90 1HB ALA 90 6.793 -9.455 11.315 658 HB2 ALA 90 2HB ALA 90 5.077 -9.141 11.580 659 HB3 ALA 90 3HB ALA 90 6.118 -9.552 12.943 660 H ARG 91 HN ARG 91 6.572 -5.380 13.419 661 HA ARG 91 HA ARG 91 3.809 -4.889 13.791 662 HB2 ARG 91 2HB ARG 91 3.661 -4.962 16.165 663 HB3 ARG 91 1HB ARG 91 4.292 -6.514 15.655 664 HG2 ARG 91 2HG ARG 91 6.468 -5.969 16.402 665 HG3 ARG 91 1HG ARG 91 6.033 -4.274 16.642 666 HD2 ARG 91 2HD ARG 91 4.368 -5.035 18.344 667 HD3 ARG 91 1HD ARG 91 5.035 -6.658 18.189 668 HE ARG 91 HE ARG 91 7.041 -5.906 19.198 669 HH11 ARG 91 1HH1 ARG 91 4.568 -3.427 19.051 670 HH12 ARG 91 2HH1 ARG 91 5.279 -2.456 20.303 671 HH21 ARG 91 1HH2 ARG 91 7.956 -4.662 20.866 672 HH22 ARG 91 2HH2 ARG 91 7.189 -3.180 21.367 673 HA PRO 92 HA PRO 92 5.278 -0.750 13.829 674 HB2 PRO 92 2HB PRO 92 3.686 0.511 15.649 675 HB3 PRO 92 1HB PRO 92 3.133 0.020 14.044 676 HG2 PRO 92 2HG PRO 92 2.775 -1.363 16.676 677 HG3 PRO 92 1HG PRO 92 1.590 -1.094 15.383 678 HD2 PRO 92 2HD PRO 92 2.826 -3.458 15.678 679 HD3 PRO 92 1HD PRO 92 2.439 -2.808 14.073 680 H SER 93 HN SER 93 5.701 1.164 15.484 681 HA SER 93 HA SER 93 6.960 0.312 17.938 682 HB2 SER 93 2HB SER 93 8.578 1.558 15.698 683 HB3 SER 93 1HB SER 93 9.165 1.218 17.326 684 HG SER 93 HG SER 93 8.152 -1.027 16.509 685 H ALA 94 HN ALA 94 8.421 2.663 18.453 686 HA ALA 94 HA ALA 94 6.282 4.212 19.432 687 HB1 ALA 94 1HB ALA 94 9.192 4.963 19.264 688 HB2 ALA 94 2HB ALA 94 8.458 4.001 20.546 689 HB3 ALA 94 3HB ALA 94 7.981 5.685 20.325 690 H THR 95 HN THR 95 8.633 4.970 16.846 691 HA THR 95 HA THR 95 7.356 7.508 16.329 692 HB THR 95 HB THR 95 9.401 6.093 14.606 693 HG1 THR 95 1HG THR 95 9.645 7.522 17.032 694 HG21 THR 95 3HG2 THR 95 9.998 8.366 13.913 695 HG22 THR 95 1HG2 THR 95 8.729 9.020 14.943 696 HG23 THR 95 2HG2 THR 95 8.307 8.017 13.554 697 H ASP 96 HN ASP 96 7.387 4.295 14.902 698 HA ASP 96 HA ASP 96 5.976 4.787 12.537 699 HB2 ASP 96 2HB ASP 96 7.098 2.614 13.501 700 HB3 ASP 96 1HB ASP 96 5.500 2.311 14.161 701 H LEU 97 HN LEU 97 4.879 4.184 15.827 702 HA LEU 97 HA LEU 97 2.090 4.227 15.298 703 HB2 LEU 97 2HB LEU 97 3.185 3.243 17.314 704 HB3 LEU 97 1HB LEU 97 3.587 4.855 17.853 705 HG LEU 97 HG LEU 97 1.607 3.699 18.965 706 HD11 LEU 97 1HD1 LEU 97 1.118 6.409 17.751 707 HD12 LEU 97 2HD1 LEU 97 2.072 6.092 19.200 708 HD13 LEU 97 3HD1 LEU 97 0.342 5.746 19.190 709 HD21 LEU 97 3HD2 LEU 97 -0.545 3.887 17.829 710 HD22 LEU 97 1HD2 LEU 97 0.552 2.811 16.965 711 HD23 LEU 97 2HD2 LEU 97 0.274 4.448 16.370 712 H GLU 98 HN GLU 98 4.420 6.689 16.325 713 HA GLU 98 HA GLU 98 2.560 8.689 16.957 714 HB2 GLU 98 2HB GLU 98 5.479 8.705 16.329 715 HB3 GLU 98 1HB GLU 98 4.620 10.224 16.507 716 HG2 GLU 98 2HG GLU 98 3.815 9.305 18.747 717 HG3 GLU 98 1HG GLU 98 5.065 8.078 18.546 718 H GLU 99 HN GLU 99 4.177 7.965 13.895 719 HA GLU 99 HA GLU 99 3.204 10.389 12.682 720 HB2 GLU 99 2HB GLU 99 4.667 8.001 11.572 721 HB3 GLU 99 1HB GLU 99 4.153 9.353 10.574 722 HG2 GLU 99 2HG GLU 99 6.025 9.508 12.924 723 HG3 GLU 99 1HG GLU 99 6.486 9.563 11.224 724 H ALA 100 HN ALA 100 1.950 7.244 13.153 725 HA ALA 100 HA ALA 100 0.096 7.380 10.936 726 HB1 ALA 100 1HB ALA 100 0.919 5.211 11.692 727 HB2 ALA 100 2HB ALA 100 -0.834 5.308 11.856 728 HB3 ALA 100 3HB ALA 100 0.197 5.477 13.278 729 H THR 101 HN THR 101 -0.558 9.594 11.744 730 HA THR 101 HA THR 101 -2.339 9.555 14.058 731 HB THR 101 HB THR 101 -1.720 12.005 12.447 732 HG1 THR 101 1HG THR 101 0.041 10.471 13.970 733 HG21 THR 101 3HG2 THR 101 -2.154 11.543 15.401 734 HG22 THR 101 1HG2 THR 101 -3.358 12.164 14.271 735 HG23 THR 101 2HG2 THR 101 -1.910 13.106 14.622 736 H PHE 102 HN PHE 102 -2.842 8.599 11.101 737 HA PHE 102 HA PHE 102 -5.411 9.998 10.831 738 HB2 PHE 102 2HB PHE 102 -5.144 9.336 8.315 739 HB3 PHE 102 1HB PHE 102 -4.333 10.762 8.943 740 HD1 PHE 102 2HD PHE 102 -1.909 10.752 9.309 741 HD2 PHE 102 1HD PHE 102 -3.904 7.432 7.544 742 HE1 PHE 102 2HE PHE 102 0.245 9.897 8.486 743 HE2 PHE 102 1HE PHE 102 -1.754 6.576 6.715 744 HZ PHE 102 HZ PHE 102 0.326 7.807 7.187 745 HA PRO 103 HA PRO 103 -6.466 5.614 11.475 746 HB2 PRO 103 2HB PRO 103 -8.634 6.054 13.016 747 HB3 PRO 103 1HB PRO 103 -6.992 6.081 13.665 748 HG2 PRO 103 2HG PRO 103 -8.788 8.352 12.950 749 HG3 PRO 103 1HG PRO 103 -7.665 8.193 14.311 750 HD2 PRO 103 2HD PRO 103 -7.127 9.603 12.000 751 HD3 PRO 103 1HD PRO 103 -5.889 8.936 13.082 752 H GLY 104 HN GLY 104 -6.964 5.566 9.208 753 HA2 GLY 104 2HA GLY 104 -9.732 5.022 8.785 754 HA3 GLY 104 1HA GLY 104 -9.246 6.500 7.970 755 H PHE 105 HN PHE 105 -6.919 3.982 8.373 756 HA PHE 105 HA PHE 105 -7.312 3.020 5.651 757 HB2 PHE 105 2HB PHE 105 -4.762 4.250 6.712 758 HB3 PHE 105 1HB PHE 105 -4.848 3.294 5.244 759 HD1 PHE 105 2HD PHE 105 -6.257 4.131 3.333 760 HD2 PHE 105 1HD PHE 105 -5.288 6.529 6.713 761 HE1 PHE 105 2HE PHE 105 -6.813 6.155 2.053 762 HE2 PHE 105 1HE PHE 105 -5.841 8.557 5.436 763 HZ PHE 105 HZ PHE 105 -6.604 8.371 3.102 764 H THR 106 HN THR 106 -5.999 1.087 5.200 765 HA THR 106 HA THR 106 -5.535 -0.532 7.586 766 HB THR 106 HB THR 106 -5.288 -1.360 4.681 767 HG1 THR 106 1HG THR 106 -7.488 -0.991 6.333 768 HG21 THR 106 3HG2 THR 106 -5.672 -2.997 7.196 769 HG22 THR 106 1HG2 THR 106 -4.161 -2.840 6.298 770 HG23 THR 106 2HG2 THR 106 -5.552 -3.626 5.552 771 H TYR 107 HN TYR 107 -3.498 -1.255 8.197 772 HA TYR 107 HA TYR 107 -1.269 0.034 6.770 773 HB2 TYR 107 2HB TYR 107 -1.595 -0.627 9.699 774 HB3 TYR 107 1HB TYR 107 -0.063 -0.131 8.986 775 HD1 TYR 107 2HD TYR 107 -3.522 0.977 9.703 776 HD2 TYR 107 1HD TYR 107 0.399 2.141 8.538 777 HE1 TYR 107 2HE TYR 107 -4.136 3.335 10.015 778 HE2 TYR 107 1HE TYR 107 -0.205 4.505 8.847 779 HH TYR 107 HH TYR 107 -3.107 5.459 10.408 780 H VAL 108 HN VAL 108 -0.166 -1.365 5.586 781 HA VAL 108 HA VAL 108 0.183 -4.108 6.570 782 HB VAL 108 HB VAL 108 0.944 -2.903 3.894 783 HG11 VAL 108 1HG1 VAL 108 2.387 -4.775 4.506 784 HG12 VAL 108 2HG1 VAL 108 1.311 -5.215 3.181 785 HG13 VAL 108 3HG1 VAL 108 0.968 -5.777 4.817 786 HG21 VAL 108 3HG2 VAL 108 -0.937 -4.201 3.007 787 HG22 VAL 108 1HG2 VAL 108 -1.475 -3.019 4.201 788 HG23 VAL 108 2HG2 VAL 108 -1.347 -4.722 4.641 789 H ILE 109 HN ILE 109 1.858 -4.502 7.773 790 HA ILE 109 HA ILE 109 4.346 -2.981 7.328 791 HB ILE 109 HB ILE 109 3.437 -4.419 9.837 792 HG12 ILE 109 2HG1 ILE 109 3.730 -1.466 9.242 793 HG13 ILE 109 1HG1 ILE 109 2.212 -2.332 9.438 794 HG21 ILE 109 1HG2 ILE 109 5.855 -4.529 9.539 795 HG22 ILE 109 2HG2 ILE 109 5.430 -3.463 10.880 796 HG23 ILE 109 3HG2 ILE 109 5.915 -2.779 9.328 797 HD11 ILE 109 3HD1 ILE 109 4.304 -1.899 11.559 798 HD12 ILE 109 1HD1 ILE 109 2.813 -2.823 11.763 799 HD13 ILE 109 2HD1 ILE 109 2.738 -1.091 11.436 800 H VAL 110 HN VAL 110 5.834 -4.107 6.293 801 HA VAL 110 HA VAL 110 5.829 -7.029 6.597 802 HB VAL 110 HB VAL 110 5.447 -6.322 4.286 803 HG11 VAL 110 1HG1 VAL 110 7.144 -5.121 3.012 804 HG12 VAL 110 2HG1 VAL 110 8.119 -4.939 4.470 805 HG13 VAL 110 3HG1 VAL 110 6.547 -4.150 4.357 806 HG21 VAL 110 3HG2 VAL 110 8.193 -7.508 4.692 807 HG22 VAL 110 1HG2 VAL 110 7.261 -7.570 3.196 808 HG23 VAL 110 2HG2 VAL 110 6.667 -8.391 4.639 809 H SER 111 HN SER 111 7.573 -8.063 7.279 810 HA SER 111 HA SER 111 9.623 -6.511 8.564 811 HB2 SER 111 2HB SER 111 8.633 -8.522 9.627 812 HB3 SER 111 1HB SER 111 9.301 -9.512 8.335 813 HG SER 111 HG SER 111 10.709 -9.588 10.069 814 H VAL 112 HN VAL 112 11.141 -5.695 7.284 815 HA VAL 112 HA VAL 112 12.369 -7.507 5.320 816 HB VAL 112 HB VAL 112 12.202 -4.489 5.136 817 HG11 VAL 112 1HG1 VAL 112 14.295 -5.353 4.217 818 HG12 VAL 112 2HG1 VAL 112 13.236 -4.770 2.935 819 HG13 VAL 112 3HG1 VAL 112 13.395 -6.502 3.225 820 HG21 VAL 112 3HG2 VAL 112 10.067 -5.529 4.642 821 HG22 VAL 112 1HG2 VAL 112 10.845 -6.643 3.518 822 HG23 VAL 112 2HG2 VAL 112 10.799 -4.918 3.159 823 H ARG 113 HN ARG 113 14.277 -8.134 5.916 824 HA ARG 113 HA ARG 113 15.699 -6.675 8.003 825 HB2 ARG 113 2HB ARG 113 16.220 -9.388 6.770 826 HB3 ARG 113 1HB ARG 113 17.052 -8.722 8.170 827 HG2 ARG 113 2HG ARG 113 14.992 -8.724 9.439 828 HG3 ARG 113 1HG ARG 113 14.097 -9.287 8.027 829 HD2 ARG 113 2HD ARG 113 14.542 -11.121 9.552 830 HD3 ARG 113 1HD ARG 113 15.404 -11.354 8.031 831 HE ARG 113 HE ARG 113 17.363 -10.320 9.352 832 HH11 ARG 113 1HH1 ARG 113 14.864 -12.358 10.745 833 HH12 ARG 113 2HH1 ARG 113 15.923 -13.021 11.963 834 HH21 ARG 113 1HH2 ARG 113 18.740 -11.191 10.927 835 HH22 ARG 113 2HH2 ARG 113 18.138 -12.375 12.050 836 H ASP 114 HN ASP 114 15.719 -5.230 5.798 837 HA ASP 114 HA ASP 114 17.008 -4.097 4.326 838 HB2 ASP 114 2HB ASP 114 18.582 -4.059 6.253 839 HB3 ASP 114 1HB ASP 114 19.337 -5.519 5.629 840 H GLY 115 HN GLY 115 16.096 -5.203 2.581 841 HA2 GLY 115 2HA GLY 115 16.407 -6.165 0.495 842 HA3 GLY 115 1HA GLY 115 18.009 -6.679 1.003 843 H ALA 116 HN ALA 116 16.038 -7.661 3.404 844 HA ALA 116 HA ALA 116 15.582 -10.281 2.131 845 HB1 ALA 116 1HB ALA 116 16.387 -9.746 4.986 846 HB2 ALA 116 2HB ALA 116 17.449 -10.352 3.715 847 HB3 ALA 116 3HB ALA 116 16.091 -11.331 4.276 848 HA PRO 117 HA PRO 117 11.386 -9.385 3.547 849 HB2 PRO 117 2HB PRO 117 10.572 -11.578 1.843 850 HB3 PRO 117 1HB PRO 117 10.252 -9.855 1.641 851 HG2 PRO 117 2HG PRO 117 11.879 -11.291 -0.016 852 HG3 PRO 117 1HG PRO 117 12.056 -9.551 0.267 853 HD2 PRO 117 2HD PRO 117 13.590 -11.830 1.462 854 HD3 PRO 117 1HD PRO 117 14.178 -10.254 0.887 855 H GLU 118 HN GLU 118 10.866 -10.175 5.497 856 HA GLU 118 HA GLU 118 11.462 -12.984 6.093 857 HB2 GLU 118 2HB GLU 118 12.391 -11.219 7.569 858 HB3 GLU 118 1HB GLU 118 10.755 -10.715 7.964 859 HG2 GLU 118 2HG GLU 118 10.307 -12.827 9.021 860 HG3 GLU 118 1HG GLU 118 11.880 -13.444 8.524 861 H ALA 119 HN ALA 119 8.913 -10.706 7.115 862 HA ALA 119 HA ALA 119 6.877 -12.681 6.439 863 HB1 ALA 119 1HB ALA 119 5.839 -12.561 8.648 864 HB2 ALA 119 2HB ALA 119 7.160 -11.543 9.221 865 HB3 ALA 119 3HB ALA 119 7.475 -13.212 8.747 866 H LEU 120 HN LEU 120 4.732 -11.807 6.389 867 HA LEU 120 HA LEU 120 4.672 -8.867 6.125 868 HB2 LEU 120 2HB LEU 120 4.562 -10.230 3.986 869 HB3 LEU 120 1HB LEU 120 3.028 -10.856 4.548 870 HG LEU 120 HG LEU 120 3.473 -7.900 4.170 871 HD11 LEU 120 1HD1 LEU 120 2.500 -9.895 2.126 872 HD12 LEU 120 2HD1 LEU 120 4.011 -8.988 2.057 873 HD13 LEU 120 3HD1 LEU 120 2.468 -8.141 1.949 874 HD21 LEU 120 3HD2 LEU 120 1.045 -7.872 3.913 875 HD22 LEU 120 1HD2 LEU 120 1.506 -8.579 5.462 876 HD23 LEU 120 2HD2 LEU 120 0.992 -9.621 4.134 877 H THR 121 HN THR 121 3.150 -7.828 7.319 878 HA THR 121 HA THR 121 0.980 -9.442 8.461 879 HB THR 121 HB THR 121 1.257 -8.169 10.613 880 HG1 THR 121 1HG THR 121 3.344 -7.078 9.155 881 HG21 THR 121 3HG2 THR 121 3.113 -9.538 11.449 882 HG22 THR 121 1HG2 THR 121 3.585 -9.909 9.791 883 HG23 THR 121 2HG2 THR 121 2.037 -10.478 10.415 884 H ALA 122 HN ALA 122 -0.971 -8.416 8.668 885 HA ALA 122 HA ALA 122 -1.082 -5.626 7.732 886 HB1 ALA 122 1HB ALA 122 -3.372 -6.099 6.977 887 HB2 ALA 122 2HB ALA 122 -3.202 -7.770 7.519 888 HB3 ALA 122 3HB ALA 122 -2.199 -7.164 6.201 889 H TRP 123 HN TRP 123 -2.068 -4.140 8.951 890 HA TRP 123 HA TRP 123 -3.189 -5.029 11.521 891 HB2 TRP 123 2HB TRP 123 -1.257 -2.738 11.102 892 HB3 TRP 123 1HB TRP 123 -1.979 -3.217 12.636 893 HD1 TRP 123 1HD TRP 123 0.641 -4.380 10.073 894 HE1 TRP 123 1HE TRP 123 2.209 -6.072 11.238 895 HE3 TRP 123 3HE TRP 123 -1.855 -4.878 14.505 896 HZ2 TRP 123 2HZ TRP 123 2.351 -7.427 13.712 897 HZ3 TRP 123 3HZ TRP 123 -0.952 -6.401 16.206 898 HH2 TRP 123 2HH TRP 123 1.113 -7.647 15.818 899 H ALA 124 HN ALA 124 -4.728 -3.726 12.442 900 HA ALA 124 HA ALA 124 -5.786 -1.560 10.753 901 HB1 ALA 124 1HB ALA 124 -7.938 -1.935 11.825 902 HB2 ALA 124 2HB ALA 124 -7.231 -3.179 12.854 903 HB3 ALA 124 3HB ALA 124 -7.345 -3.435 11.113 904 H LEU 125 HN LEU 125 -5.789 0.461 11.575 905 HA LEU 125 HA LEU 125 -4.505 0.881 14.126 906 HB2 LEU 125 2HB LEU 125 -3.997 2.304 12.162 907 HB3 LEU 125 1HB LEU 125 -5.652 2.881 12.170 908 HG LEU 125 HG LEU 125 -5.276 3.904 14.385 909 HD11 LEU 125 1HD1 LEU 125 -3.530 2.382 15.181 910 HD12 LEU 125 2HD1 LEU 125 -3.021 4.067 15.283 911 HD13 LEU 125 3HD1 LEU 125 -2.415 3.041 13.984 912 HD21 LEU 125 3HD2 LEU 125 -3.790 5.702 13.613 913 HD22 LEU 125 1HD2 LEU 125 -4.968 5.242 12.385 914 HD23 LEU 125 2HD2 LEU 125 -3.298 4.697 12.252 915 H ALA 126 HN ALA 126 -5.437 1.605 15.976 916 HA ALA 126 HA ALA 126 -8.170 1.164 16.437 917 HB1 ALA 126 1HB ALA 126 -6.465 1.105 18.211 918 HB2 ALA 126 2HB ALA 126 -7.795 2.187 18.619 919 HB3 ALA 126 3HB ALA 126 -6.260 2.852 18.062 920 HA PRO 127 HA PRO 127 -10.167 4.728 14.802 921 HB2 PRO 127 2HB PRO 127 -11.934 4.600 17.181 922 HB3 PRO 127 1HB PRO 127 -12.349 4.537 15.465 923 HG2 PRO 127 2HG PRO 127 -12.446 2.340 16.969 924 HG3 PRO 127 1HG PRO 127 -11.865 2.274 15.293 925 HD2 PRO 127 2HD PRO 127 -10.302 2.247 17.845 926 HD3 PRO 127 1HD PRO 127 -10.039 1.323 16.352 927 H ASP 128 HN ASP 128 -9.006 4.690 18.065 928 HA ASP 128 HA ASP 128 -9.044 7.636 18.131 929 HB2 ASP 128 2HB ASP 128 -10.351 6.462 19.926 930 HB3 ASP 128 1HB ASP 128 -8.850 5.730 20.481 931 H ARG 129 HN ARG 129 -7.126 5.789 16.847 932 HA ARG 129 HA ARG 129 -4.911 5.334 16.628 933 HB2 ARG 129 2HB ARG 129 -3.421 7.258 16.750 934 HB3 ARG 129 1HB ARG 129 -4.944 7.694 15.995 935 HG2 ARG 129 2HG ARG 129 -5.674 8.809 17.991 936 HG3 ARG 129 1HG ARG 129 -4.249 8.254 18.868 937 HD2 ARG 129 2HD ARG 129 -2.812 9.615 17.548 938 HD3 ARG 129 1HD ARG 129 -4.111 9.994 16.415 939 HE ARG 129 HE ARG 129 -5.128 10.960 18.676 940 HH11 ARG 129 1HH1 ARG 129 -1.862 11.259 17.436 941 HH12 ARG 129 2HH1 ARG 129 -1.638 12.859 18.063 942 HH21 ARG 129 1HH2 ARG 129 -4.824 13.059 19.523 943 HH22 ARG 129 2HH2 ARG 129 -3.313 13.886 19.246 944 H SER 130 HN SER 130 -5.977 4.433 19.099 945 HA SER 130 HA SER 130 -4.248 4.989 21.267 946 HB2 SER 130 2HB SER 130 -5.655 2.363 21.041 947 HB3 SER 130 1HB SER 130 -5.541 3.460 22.419 948 HG SER 130 HG SER 130 -7.320 4.387 21.802 949 H GLU 131 HN GLU 131 -4.293 2.553 18.734 950 HA GLU 131 HA GLU 131 -1.569 1.946 18.812 951 HB2 GLU 131 2HB GLU 131 -1.713 -0.367 19.777 952 HB3 GLU 131 1HB GLU 131 -1.924 0.919 20.957 953 HG2 GLU 131 2HG GLU 131 -4.397 0.609 20.723 954 HG3 GLU 131 1HG GLU 131 -4.058 -0.814 19.742 955 H PHE 132 HN PHE 132 -1.357 -0.508 17.847 956 HA PHE 132 HA PHE 132 -3.248 -0.601 15.596 957 HB2 PHE 132 2HB PHE 132 -0.429 -1.659 15.883 958 HB3 PHE 132 1HB PHE 132 -1.477 -2.081 14.537 959 HD1 PHE 132 2HD PHE 132 0.374 0.650 16.159 960 HD2 PHE 132 1HD PHE 132 -1.862 -0.564 12.749 961 HE1 PHE 132 2HE PHE 132 1.141 2.649 14.951 962 HE2 PHE 132 1HE PHE 132 -1.099 1.435 11.534 963 HZ PHE 132 HZ PHE 132 0.406 3.046 12.637 964 H HIS 133 HN HIS 133 -4.320 -2.506 15.108 965 HA HIS 133 HA HIS 133 -3.904 -4.741 16.989 966 HB2 HIS 133 2HB HIS 133 -6.495 -3.583 15.979 967 HB3 HIS 133 1HB HIS 133 -6.396 -5.223 16.604 968 HD1 HIS 133 1HD HIS 133 -6.377 -5.515 19.112 969 HD2 HIS 133 2HD HIS 133 -5.983 -1.545 17.937 970 HE1 HIS 133 1HE HIS 133 -6.559 -4.164 21.220 971 HE2 HIS 133 2HE HIS 133 -6.053 -1.806 20.512 972 H ARG 134 HN ARG 134 -4.151 -6.805 16.150 973 HA ARG 134 HA ARG 134 -3.283 -6.936 13.410 974 HB2 ARG 134 2HB ARG 134 -2.289 -8.299 15.226 975 HB3 ARG 134 1HB ARG 134 -3.809 -9.162 15.380 976 HG2 ARG 134 2HG ARG 134 -2.263 -10.473 14.103 977 HG3 ARG 134 1HG ARG 134 -3.569 -9.929 13.060 978 HD2 ARG 134 2HD ARG 134 -2.220 -8.396 11.955 979 HD3 ARG 134 1HD ARG 134 -1.025 -8.368 13.250 980 HE ARG 134 HE ARG 134 -0.185 -10.452 12.497 981 HH11 ARG 134 1HH1 ARG 134 -2.664 -9.120 10.384 982 HH12 ARG 134 2HH1 ARG 134 -2.232 -10.138 9.049 983 HH21 ARG 134 1HH2 ARG 134 0.396 -11.736 10.728 984 HH22 ARG 134 2HH2 ARG 134 -0.453 -11.582 9.218 985 H GLU 135 HN GLU 135 -4.381 -7.679 11.698 986 HA GLU 135 HA GLU 135 -7.155 -8.553 12.107 987 HB2 GLU 135 2HB GLU 135 -6.672 -6.030 11.385 988 HB3 GLU 135 1HB GLU 135 -6.546 -6.768 9.798 989 HG2 GLU 135 2HG GLU 135 -8.775 -5.939 10.145 990 HG3 GLU 135 1HG GLU 135 -8.800 -7.701 10.079 991 H ASP 136 HN ASP 136 -8.047 -9.558 10.090 992 HA ASP 136 HA ASP 136 -5.938 -11.266 8.967 993 HB2 ASP 136 2HB ASP 136 -7.740 -12.357 10.291 994 HB3 ASP 136 1HB ASP 136 -8.914 -11.790 9.107 995 H ILE 137 HN ILE 137 -5.792 -11.709 6.790 996 HA ILE 137 HA ILE 137 -6.994 -9.681 5.051 997 HB ILE 137 HB ILE 137 -4.756 -11.629 4.450 998 HG12 ILE 137 2HG1 ILE 137 -4.587 -8.695 5.169 999 HG13 ILE 137 1HG1 ILE 137 -4.194 -10.021 6.259 1000 HG21 ILE 137 1HG2 ILE 137 -4.299 -10.147 2.546 1001 HG22 ILE 137 2HG2 ILE 137 -5.716 -9.184 2.964 1002 HG23 ILE 137 3HG2 ILE 137 -5.910 -10.861 2.453 1003 HD11 ILE 137 3HD1 ILE 137 -2.791 -9.374 3.678 1004 HD12 ILE 137 1HD1 ILE 137 -2.405 -10.720 4.750 1005 HD13 ILE 137 2HD1 ILE 137 -2.189 -9.060 5.305 1006 H VAL 138 HN VAL 138 -8.465 -10.179 3.530 1007 HA VAL 138 HA VAL 138 -9.096 -13.020 3.117 1008 HB VAL 138 HB VAL 138 -11.323 -12.010 2.203 1009 HG11 VAL 138 1HG1 VAL 138 -12.310 -12.146 4.424 1010 HG12 VAL 138 2HG1 VAL 138 -10.716 -11.978 5.161 1011 HG13 VAL 138 3HG1 VAL 138 -11.102 -13.415 4.212 1012 HG21 VAL 138 3HG2 VAL 138 -10.383 -9.781 4.005 1013 HG22 VAL 138 1HG2 VAL 138 -11.999 -9.942 3.321 1014 HG23 VAL 138 2HG2 VAL 138 -10.615 -9.673 2.261 1015 H ARG 139 HN ARG 139 -9.632 -13.737 1.011 1016 HA ARG 139 HA ARG 139 -8.015 -12.350 -0.993 1017 HB2 ARG 139 2HB ARG 139 -8.005 -14.933 -0.270 1018 HB3 ARG 139 1HB ARG 139 -9.224 -15.016 -1.535 1019 HG2 ARG 139 2HG ARG 139 -7.639 -14.038 -3.121 1020 HG3 ARG 139 1HG ARG 139 -6.415 -13.974 -1.851 1021 HD2 ARG 139 2HD ARG 139 -5.925 -15.918 -3.058 1022 HD3 ARG 139 1HD ARG 139 -6.777 -16.488 -1.625 1023 HE ARG 139 HE ARG 139 -8.798 -16.305 -3.323 1024 HH11 ARG 139 1HH1 ARG 139 -5.575 -17.624 -3.774 1025 HH12 ARG 139 2HH1 ARG 139 -6.071 -18.719 -5.034 1026 HH21 ARG 139 1HH2 ARG 139 -9.434 -17.750 -5.008 1027 HH22 ARG 139 2HH2 ARG 139 -8.235 -18.779 -5.735 1028 HA PRO 140 HA PRO 140 -10.975 -10.295 -3.470 1029 HB2 PRO 140 2HB PRO 140 -10.014 -12.300 -5.478 1030 HB3 PRO 140 1HB PRO 140 -10.337 -10.574 -5.686 1031 HG2 PRO 140 2HG PRO 140 -7.853 -11.564 -5.224 1032 HG3 PRO 140 1HG PRO 140 -8.366 -9.948 -4.713 1033 HD2 PRO 140 2HD PRO 140 -7.690 -12.233 -3.079 1034 HD3 PRO 140 1HD PRO 140 -8.074 -10.582 -2.567 1035 H ASP 141 HN ASP 141 -13.027 -10.473 -3.393 1036 HA ASP 141 HA ASP 141 -14.353 -13.035 -3.938 1037 HB2 ASP 141 2HB ASP 141 -16.287 -11.569 -2.774 1038 HB3 ASP 141 1HB ASP 141 -15.143 -12.538 -1.848 1039 HA PRO 142 HA PRO 142 -15.770 -10.665 -7.473 1040 HB2 PRO 142 2HB PRO 142 -16.175 -12.738 -9.123 1041 HB3 PRO 142 1HB PRO 142 -14.546 -12.189 -8.719 1042 HG2 PRO 142 2HG PRO 142 -16.037 -14.569 -7.748 1043 HG3 PRO 142 1HG PRO 142 -14.298 -14.357 -7.999 1044 HD2 PRO 142 2HD PRO 142 -15.696 -14.187 -5.547 1045 HD3 PRO 142 1HD PRO 142 -14.005 -13.741 -5.841 1046 H GLU 143 HN GLU 143 -17.410 -11.780 -5.225 1047 HA GLU 143 HA GLU 143 -20.004 -11.693 -6.565 1048 HB2 GLU 143 2HB GLU 143 -19.219 -13.837 -4.589 1049 HB3 GLU 143 1HB GLU 143 -20.824 -13.582 -5.249 1050 HG2 GLU 143 2HG GLU 143 -19.836 -13.969 -7.525 1051 HG3 GLU 143 1HG GLU 143 -18.357 -14.469 -6.711 1052 H ALA 144 HN ALA 144 -18.243 -10.118 -4.697 1053 HA ALA 144 HA ALA 144 -19.599 -10.013 -2.178 1054 HB1 ALA 144 1HB ALA 144 -17.211 -9.467 -2.404 1055 HB2 ALA 144 2HB ALA 144 -18.129 -8.142 -1.688 1056 HB3 ALA 144 3HB ALA 144 -17.637 -8.062 -3.379 1057 HA PRO 145 HA PRO 145 -22.789 -7.259 -3.698 1058 HB2 PRO 145 2HB PRO 145 -23.890 -7.326 -1.029 1059 HB3 PRO 145 1HB PRO 145 -24.536 -8.045 -2.505 1060 HG2 PRO 145 2HG PRO 145 -23.558 -9.499 -0.397 1061 HG3 PRO 145 1HG PRO 145 -23.606 -10.081 -2.070 1062 HD2 PRO 145 2HD PRO 145 -21.302 -8.982 -0.511 1063 HD3 PRO 145 1HD PRO 145 -21.339 -10.297 -1.704 1064 H LEU 146 HN LEU 146 -22.679 -5.121 -3.756 1065 HA LEU 146 HA LEU 146 -21.121 -3.734 -1.746 1066 HB2 LEU 146 2HB LEU 146 -21.041 -1.890 -3.240 1067 HB3 LEU 146 1HB LEU 146 -20.708 -3.332 -4.159 1068 HG LEU 146 HG LEU 146 -23.458 -2.135 -4.124 1069 HD11 LEU 146 1HD1 LEU 146 -21.928 -0.350 -4.763 1070 HD12 LEU 146 2HD1 LEU 146 -22.876 -0.896 -6.147 1071 HD13 LEU 146 3HD1 LEU 146 -21.195 -1.402 -5.974 1072 HD21 LEU 146 3HD2 LEU 146 -21.946 -3.961 -5.979 1073 HD22 LEU 146 1HD2 LEU 146 -23.451 -3.163 -6.436 1074 HD23 LEU 146 2HD2 LEU 146 -23.431 -4.295 -5.090 1075 H GLU 147 HN GLU 147 -21.880 -2.023 -0.509 1076 HA GLU 147 HA GLU 147 -24.683 -2.111 0.076 1077 HB2 GLU 147 2HB GLU 147 -22.249 -1.051 1.325 1078 HB3 GLU 147 1HB GLU 147 -23.694 -0.099 1.603 1079 HG2 GLU 147 2HG GLU 147 -23.368 -3.029 2.189 1080 HG3 GLU 147 1HG GLU 147 -23.356 -1.724 3.376 1081 H HIS 148 HN HIS 148 -26.197 -0.633 -0.350 1082 HA HIS 148 HA HIS 148 -25.485 1.959 -1.431 1083 HB2 HIS 148 2HB HIS 148 -27.020 1.639 -3.414 1084 HB3 HIS 148 1HB HIS 148 -25.499 0.762 -3.490 1085 HD1 HIS 148 1HD HIS 148 -29.198 0.248 -3.211 1086 HD2 HIS 148 2HD HIS 148 -25.723 -2.027 -3.424 1087 HE1 HIS 148 1HE HIS 148 -29.955 -2.108 -3.655 1088 HE2 HIS 148 2HE HIS 148 -27.850 -3.492 -3.536 1089 H HIS 149 HN HIS 149 -26.715 1.081 0.975 1090 HA HIS 149 HA HIS 149 -29.533 1.744 0.737 1091 HB2 HIS 149 2HB HIS 149 -27.734 1.135 3.085 1092 HB3 HIS 149 1HB HIS 149 -29.388 1.696 3.300 1093 HD1 HIS 149 1HD HIS 149 -27.441 -1.333 2.951 1094 HD2 HIS 149 2HD HIS 149 -31.322 -0.136 2.022 1095 HE1 HIS 149 1HE HIS 149 -28.764 -3.455 2.669 1096 HE2 HIS 149 2HE HIS 149 -31.149 -2.688 2.393 1097 H HIS 150 HN HIS 150 -30.434 3.699 1.177 1098 HA HIS 150 HA HIS 150 -28.716 5.976 1.127 1099 HB2 HIS 150 2HB HIS 150 -31.702 5.666 1.375 1100 HB3 HIS 150 1HB HIS 150 -30.920 7.240 1.465 1101 HD1 HIS 150 1HD HIS 150 -31.633 4.432 -0.927 1102 HD2 HIS 150 2HD HIS 150 -30.063 8.281 -0.952 1103 HE1 HIS 150 1HE HIS 150 -31.466 5.081 -3.354 1104 HE2 HIS 150 2HE HIS 150 -30.348 7.345 -3.345 1105 H HIS 151 HN HIS 151 -27.459 6.013 2.944 1106 HA HIS 151 HA HIS 151 -28.643 6.129 5.572 1107 HB2 HIS 151 2HB HIS 151 -25.872 6.321 4.477 1108 HB3 HIS 151 1HB HIS 151 -26.185 7.005 6.069 1109 HD1 HIS 151 1HD HIS 151 -25.158 3.949 4.518 1110 HD2 HIS 151 2HD HIS 151 -27.470 4.945 7.828 1111 HE1 HIS 151 1HE HIS 151 -25.184 1.897 5.965 1112 HE2 HIS 151 2HE HIS 151 -26.392 2.605 8.066 1113 H HIS 152 HN HIS 152 -28.293 8.036 6.991 1114 HA HIS 152 HA HIS 152 -28.935 10.461 5.484 1115 HB2 HIS 152 2HB HIS 152 -29.260 9.741 8.397 1116 HB3 HIS 152 1HB HIS 152 -29.532 11.365 7.779 1117 HD1 HIS 152 1HD HIS 152 -31.533 8.870 8.902 1118 HD2 HIS 152 2HD HIS 152 -31.369 10.773 5.204 1119 HE1 HIS 152 1HE HIS 152 -33.792 8.517 7.849 1120 HE2 HIS 152 2HE HIS 152 -33.622 9.553 5.561 1121 H HIS 153 HN HIS 153 -28.011 12.502 6.177 1122 HA HIS 153 HA HIS 153 -25.297 12.301 7.231 1123 HB2 HIS 153 2HB HIS 153 -24.848 12.071 4.926 1124 HB3 HIS 153 1HB HIS 153 -26.092 13.228 4.478 1125 HD1 HIS 153 1HD HIS 153 -24.927 15.084 3.375 1126 HD2 HIS 153 2HD HIS 153 -22.905 13.816 6.782 1127 HE1 HIS 153 1HE HIS 153 -22.997 16.672 3.651 1128 HE2 HIS 153 2HE HIS 153 -21.908 16.005 5.818 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -7.789 -8.344 5.138 2 H2 MET 1 H2 MET 1 -9.271 -7.644 4.705 3 H3 MET 1 H3 MET 1 -8.122 -6.731 5.544 4 HA MET 1 HA MET 1 -8.182 -6.134 3.208 5 HB2 MET 1 2HB MET 1 -6.079 -5.891 4.407 6 HB3 MET 1 1HB MET 1 -5.686 -7.580 4.133 7 HG2 MET 1 2HG MET 1 -5.527 -7.163 1.737 8 HG3 MET 1 1HG MET 1 -5.947 -5.472 2.003 9 HE1 MET 1 2HE MET 1 -2.100 -5.460 1.033 10 HE2 MET 1 3HE MET 1 -3.713 -4.954 0.538 11 HE3 MET 1 1HE MET 1 -3.263 -6.662 0.475 12 H LYS 2 HN LYS 2 -8.802 -6.832 1.270 13 HA LYS 2 HA LYS 2 -8.511 -9.701 0.703 14 HB2 LYS 2 2HB LYS 2 -10.546 -7.680 -0.181 15 HB3 LYS 2 1HB LYS 2 -10.275 -9.143 -1.117 16 HG2 LYS 2 2HG LYS 2 -12.016 -9.753 0.241 17 HG3 LYS 2 1HG LYS 2 -10.630 -10.358 1.139 18 HD2 LYS 2 2HD LYS 2 -10.681 -8.343 2.548 19 HD3 LYS 2 1HD LYS 2 -12.100 -7.774 1.663 20 HE2 LYS 2 2HE LYS 2 -13.315 -9.808 2.370 21 HE3 LYS 2 1HE LYS 2 -11.905 -10.300 3.306 22 HZ1 LYS 2 3HZ LYS 2 -13.515 -9.245 4.730 23 HZ2 LYS 2 1HZ LYS 2 -13.556 -7.863 3.746 24 HZ3 LYS 2 2HZ LYS 2 -12.148 -8.248 4.612 25 H THR 3 HN THR 3 -7.086 -10.296 -0.717 26 HA THR 3 HA THR 3 -6.570 -8.809 -3.110 27 HB THR 3 HB THR 3 -5.171 -7.592 -1.431 28 HG1 THR 3 1HG THR 3 -4.346 -7.376 -3.420 29 HG21 THR 3 3HG2 THR 3 -3.129 -8.678 -0.603 30 HG22 THR 3 1HG2 THR 3 -3.669 -10.206 -1.295 31 HG23 THR 3 2HG2 THR 3 -4.583 -9.462 0.018 32 H THR 4 HN THR 4 -4.617 -9.916 -4.292 33 HA THR 4 HA THR 4 -5.037 -12.816 -4.053 34 HB THR 4 HB THR 4 -4.119 -12.884 -6.391 35 HG1 THR 4 1HG THR 4 -3.942 -10.885 -7.492 36 HG21 THR 4 3HG2 THR 4 -6.537 -12.888 -6.009 37 HG22 THR 4 1HG2 THR 4 -6.134 -11.983 -7.468 38 HG23 THR 4 2HG2 THR 4 -6.546 -11.125 -5.984 39 HA PRO 5 HA PRO 5 -0.850 -13.669 -2.844 40 HB2 PRO 5 2HB PRO 5 -0.266 -15.697 -4.657 41 HB3 PRO 5 1HB PRO 5 -1.069 -15.915 -3.103 42 HG2 PRO 5 2HG PRO 5 -2.249 -15.722 -5.832 43 HG3 PRO 5 1HG PRO 5 -2.744 -16.732 -4.464 44 HD2 PRO 5 2HD PRO 5 -4.093 -14.519 -5.145 45 HD3 PRO 5 1HD PRO 5 -3.901 -15.008 -3.446 46 H ASP 6 HN ASP 6 -1.612 -13.245 -6.230 47 HA ASP 6 HA ASP 6 0.947 -12.797 -7.261 48 HB2 ASP 6 2HB ASP 6 -0.945 -13.147 -8.708 49 HB3 ASP 6 1HB ASP 6 -1.727 -11.703 -8.091 50 H ILE 7 HN ILE 7 -1.346 -10.569 -5.743 51 HA ILE 7 HA ILE 7 0.300 -8.256 -6.098 52 HB ILE 7 HB ILE 7 -1.968 -8.731 -4.151 53 HG12 ILE 7 2HG1 ILE 7 -2.687 -8.963 -6.478 54 HG13 ILE 7 1HG1 ILE 7 -3.341 -7.489 -5.767 55 HG21 ILE 7 1HG2 ILE 7 -0.664 -6.151 -5.021 56 HG22 ILE 7 2HG2 ILE 7 -0.562 -6.889 -3.422 57 HG23 ILE 7 3HG2 ILE 7 -2.107 -6.283 -4.016 58 HD11 ILE 7 3HD1 ILE 7 -2.567 -7.165 -8.064 59 HD12 ILE 7 1HD1 ILE 7 -0.939 -7.636 -7.575 60 HD13 ILE 7 2HD1 ILE 7 -1.667 -6.170 -6.917 61 H LEU 8 HN LEU 8 -0.252 -10.592 -3.504 62 HA LEU 8 HA LEU 8 1.245 -9.421 -1.471 63 HB2 LEU 8 2HB LEU 8 0.851 -12.342 -2.118 64 HB3 LEU 8 1HB LEU 8 1.558 -11.754 -0.625 65 HG LEU 8 HG LEU 8 -1.249 -11.174 -1.568 66 HD11 LEU 8 1HD1 LEU 8 -0.270 -12.989 0.625 67 HD12 LEU 8 2HD1 LEU 8 -0.904 -13.516 -0.934 68 HD13 LEU 8 3HD1 LEU 8 -1.951 -12.669 0.204 69 HD21 LEU 8 3HD2 LEU 8 -1.578 -10.220 0.642 70 HD22 LEU 8 1HD2 LEU 8 -0.277 -9.377 -0.197 71 HD23 LEU 8 2HD2 LEU 8 0.103 -10.556 1.058 72 H ASP 9 HN ASP 9 2.295 -11.595 -4.063 73 HA ASP 9 HA ASP 9 4.990 -11.825 -3.332 74 HB2 ASP 9 2HB ASP 9 4.013 -13.250 -5.041 75 HB3 ASP 9 1HB ASP 9 3.715 -11.861 -6.074 76 H GLN 10 HN GLN 10 3.388 -9.553 -5.514 77 HA GLN 10 HA GLN 10 5.601 -8.060 -6.264 78 HB2 GLN 10 2HB GLN 10 2.705 -7.308 -5.962 79 HB3 GLN 10 1HB GLN 10 3.901 -6.201 -6.619 80 HG2 GLN 10 2HG GLN 10 4.409 -7.821 -8.383 81 HG3 GLN 10 1HG GLN 10 3.178 -8.898 -7.734 82 HE21 GLN 10 1HE2 GLN 10 1.034 -8.461 -8.080 83 HE22 GLN 10 2HE2 GLN 10 0.487 -7.233 -9.168 84 H ILE 11 HN ILE 11 3.519 -7.695 -3.414 85 HA ILE 11 HA ILE 11 4.602 -5.301 -2.434 86 HB ILE 11 HB ILE 11 3.504 -7.628 -0.840 87 HG12 ILE 11 2HG1 ILE 11 2.152 -5.099 -1.818 88 HG13 ILE 11 1HG1 ILE 11 1.928 -6.706 -2.507 89 HG21 ILE 11 1HG2 ILE 11 4.819 -6.161 0.569 90 HG22 ILE 11 2HG2 ILE 11 3.104 -5.954 0.922 91 HG23 ILE 11 3HG2 ILE 11 3.955 -4.753 -0.049 92 HD11 ILE 11 3HD1 ILE 11 0.095 -6.040 -1.027 93 HD12 ILE 11 1HD1 ILE 11 1.235 -5.916 0.312 94 HD13 ILE 11 2HD1 ILE 11 0.933 -7.479 -0.448 95 H ARG 12 HN ARG 12 5.530 -8.671 -1.755 96 HA ARG 12 HA ARG 12 7.626 -8.080 -0.008 97 HB2 ARG 12 2HB ARG 12 6.656 -10.232 0.063 98 HB3 ARG 12 1HB ARG 12 6.858 -10.469 -1.667 99 HG2 ARG 12 2HG ARG 12 9.144 -10.812 -1.463 100 HG3 ARG 12 1HG ARG 12 9.170 -10.144 0.165 101 HD2 ARG 12 2HD ARG 12 9.379 -12.609 0.150 102 HD3 ARG 12 1HD ARG 12 7.951 -12.048 1.018 103 HE ARG 12 HE ARG 12 7.637 -12.849 -1.782 104 HH11 ARG 12 1HH1 ARG 12 7.228 -13.600 1.610 105 HH12 ARG 12 2HH1 ARG 12 6.001 -14.805 1.346 106 HH21 ARG 12 1HH2 ARG 12 6.028 -14.442 -2.151 107 HH22 ARG 12 2HH2 ARG 12 5.325 -15.290 -0.806 108 H VAL 13 HN VAL 13 7.534 -8.693 -3.508 109 HA VAL 13 HA VAL 13 10.329 -8.702 -3.892 110 HB VAL 13 HB VAL 13 8.089 -8.101 -5.828 111 HG11 VAL 13 1HG1 VAL 13 10.108 -7.060 -6.667 112 HG12 VAL 13 2HG1 VAL 13 9.745 -8.502 -7.614 113 HG13 VAL 13 3HG1 VAL 13 11.018 -8.546 -6.396 114 HG21 VAL 13 3HG2 VAL 13 8.515 -10.367 -6.628 115 HG22 VAL 13 1HG2 VAL 13 8.090 -10.364 -4.916 116 HG23 VAL 13 2HG2 VAL 13 9.772 -10.568 -5.409 117 H HIS 14 HN HIS 14 7.926 -6.088 -4.258 118 HA HIS 14 HA HIS 14 9.820 -4.176 -5.153 119 HB2 HIS 14 2HB HIS 14 7.027 -3.938 -4.072 120 HB3 HIS 14 1HB HIS 14 7.993 -2.503 -4.409 121 HD1 HIS 14 1HD HIS 14 7.873 -1.646 -6.744 122 HD2 HIS 14 2HD HIS 14 6.757 -5.646 -6.478 123 HE1 HIS 14 1HE HIS 14 7.113 -2.299 -9.053 124 HE2 HIS 14 2HE HIS 14 6.655 -4.776 -8.908 125 H GLY 15 HN GLY 15 8.825 -5.200 -1.974 126 HA2 GLY 15 2HA GLY 15 9.865 -3.056 -0.476 127 HA3 GLY 15 1HA GLY 15 9.681 -4.708 0.100 128 H ALA 16 HN ALA 16 11.400 -6.131 -1.428 129 HA ALA 16 HA ALA 16 13.960 -5.367 -0.394 130 HB1 ALA 16 1HB ALA 16 13.285 -7.716 -0.578 131 HB2 ALA 16 2HB ALA 16 14.782 -7.394 -1.453 132 HB3 ALA 16 3HB ALA 16 13.265 -7.568 -2.336 133 H ASP 17 HN ASP 17 12.288 -4.993 -3.390 134 HA ASP 17 HA ASP 17 14.452 -4.559 -5.140 135 HB2 ASP 17 2HB ASP 17 12.093 -5.000 -5.810 136 HB3 ASP 17 1HB ASP 17 11.675 -3.382 -5.280 137 H ALA 18 HN ALA 18 12.589 -2.417 -3.085 138 HA ALA 18 HA ALA 18 13.858 -0.018 -4.012 139 HB1 ALA 18 1HB ALA 18 11.595 0.017 -3.110 140 HB2 ALA 18 2HB ALA 18 12.660 1.078 -2.188 141 HB3 ALA 18 3HB ALA 18 12.204 -0.497 -1.539 142 H TYR 19 HN TYR 19 14.503 -2.366 -1.554 143 HA TYR 19 HA TYR 19 16.117 -0.899 0.209 144 HB2 TYR 19 2HB TYR 19 15.156 -3.375 0.254 145 HB3 TYR 19 1HB TYR 19 16.733 -3.764 -0.418 146 HD1 TYR 19 2HD TYR 19 15.231 -1.846 2.409 147 HD2 TYR 19 1HD TYR 19 18.453 -4.281 1.067 148 HE1 TYR 19 2HE TYR 19 16.169 -1.852 4.681 149 HE2 TYR 19 1HE TYR 19 19.396 -4.289 3.335 150 HH TYR 19 HH TYR 19 19.305 -2.887 5.379 151 HA PRO 20 HA PRO 20 18.195 -1.396 1.387 152 HB2 PRO 20 2HB PRO 20 20.320 0.560 1.415 153 HB3 PRO 20 1HB PRO 20 20.365 -1.126 1.930 154 HG2 PRO 20 2HG PRO 20 21.704 -0.179 -0.251 155 HG3 PRO 20 1HG PRO 20 21.152 -1.856 -0.088 156 HD2 PRO 20 2HD PRO 20 19.900 0.412 -1.596 157 HD3 PRO 20 1HD PRO 20 20.096 -1.288 -2.076 158 H GLU 21 HN GLU 21 17.531 1.065 -0.800 159 HA GLU 21 HA GLU 21 17.233 3.226 1.063 160 HB2 GLU 21 2HB GLU 21 16.205 2.847 -1.756 161 HB3 GLU 21 1HB GLU 21 16.053 4.338 -0.835 162 HG2 GLU 21 2HG GLU 21 18.684 3.035 -1.486 163 HG3 GLU 21 1HG GLU 21 17.938 4.295 -2.469 164 H GLU 22 HN GLU 22 15.222 4.152 1.743 165 HA GLU 22 HA GLU 22 13.306 2.184 2.496 166 HB2 GLU 22 2HB GLU 22 12.060 4.173 3.444 167 HB3 GLU 22 1HB GLU 22 13.676 3.897 4.077 168 HG2 GLU 22 2HG GLU 22 14.528 5.643 2.548 169 HG3 GLU 22 1HG GLU 22 12.870 5.957 2.035 170 H GLY 23 HN GLY 23 11.885 1.374 1.175 171 HA2 GLY 23 2HA GLY 23 11.113 2.649 -1.258 172 HA3 GLY 23 1HA GLY 23 10.488 1.131 -0.636 173 H CYS 24 HN CYS 24 8.818 1.213 0.976 174 HA CYS 24 HA CYS 24 6.850 1.901 1.855 175 HB2 CYS 24 2HB CYS 24 7.874 4.707 1.376 176 HB3 CYS 24 1HB CYS 24 6.544 4.247 2.435 177 HG CYS 24 HG CYS 24 9.126 4.948 3.701 178 H GLY 25 HN GLY 25 4.737 2.847 1.277 179 HA2 GLY 25 2HA GLY 25 4.256 4.194 -1.127 180 HA3 GLY 25 1HA GLY 25 4.165 2.471 -1.457 181 H PHE 26 HN PHE 26 1.942 3.407 -2.030 182 HA PHE 26 HA PHE 26 0.212 3.187 0.340 183 HB2 PHE 26 2HB PHE 26 -0.157 4.875 -2.140 184 HB3 PHE 26 1HB PHE 26 -1.438 4.578 -0.971 185 HD1 PHE 26 2HD PHE 26 1.958 6.031 -1.333 186 HD2 PHE 26 1HD PHE 26 -1.631 5.889 0.941 187 HE1 PHE 26 2HE PHE 26 2.738 7.939 0.003 188 HE2 PHE 26 1HE PHE 26 -0.861 7.803 2.284 189 HZ PHE 26 HZ PHE 26 1.329 8.832 1.816 190 H LEU 27 HN LEU 27 -1.797 2.130 0.032 191 HA LEU 27 HA LEU 27 -1.674 0.048 -2.016 192 HB2 LEU 27 2HB LEU 27 -3.500 0.378 0.369 193 HB3 LEU 27 1HB LEU 27 -3.496 -0.996 -0.716 194 HG LEU 27 HG LEU 27 -1.158 -0.199 1.017 195 HD11 LEU 27 1HD1 LEU 27 -3.254 -2.327 1.424 196 HD12 LEU 27 2HD1 LEU 27 -3.032 -0.875 2.399 197 HD13 LEU 27 3HD1 LEU 27 -1.794 -2.131 2.394 198 HD21 LEU 27 3HD2 LEU 27 -1.714 -2.680 -0.608 199 HD22 LEU 27 1HD2 LEU 27 -0.331 -2.438 0.459 200 HD23 LEU 27 2HD2 LEU 27 -0.520 -1.436 -0.979 201 H LEU 28 HN LEU 28 -2.837 0.229 -3.814 202 HA LEU 28 HA LEU 28 -4.991 2.222 -3.867 203 HB2 LEU 28 2HB LEU 28 -3.554 0.933 -6.187 204 HB3 LEU 28 1HB LEU 28 -4.689 2.265 -6.275 205 HG LEU 28 HG LEU 28 -1.950 2.350 -5.006 206 HD11 LEU 28 1HD1 LEU 28 -1.861 2.285 -7.429 207 HD12 LEU 28 2HD1 LEU 28 -1.425 3.889 -6.838 208 HD13 LEU 28 3HD1 LEU 28 -3.024 3.606 -7.525 209 HD21 LEU 28 3HD2 LEU 28 -4.029 4.510 -5.317 210 HD22 LEU 28 1HD2 LEU 28 -2.372 4.758 -4.766 211 HD23 LEU 28 2HD2 LEU 28 -3.486 3.788 -3.803 212 H GLY 29 HN GLY 29 -7.033 1.637 -4.222 213 HA2 GLY 29 2HA GLY 29 -7.906 -0.624 -5.626 214 HA3 GLY 29 1HA GLY 29 -7.805 -1.053 -3.920 215 H THR 30 HN THR 30 -10.034 -1.262 -3.644 216 HA THR 30 HA THR 30 -11.415 1.318 -3.536 217 HB THR 30 HB THR 30 -13.506 -0.218 -4.219 218 HG1 THR 30 1HG THR 30 -11.379 -1.176 -5.857 219 HG21 THR 30 3HG2 THR 30 -13.322 0.739 -6.482 220 HG22 THR 30 1HG2 THR 30 -11.645 1.176 -6.149 221 HG23 THR 30 2HG2 THR 30 -12.951 1.927 -5.233 222 H VAL 31 HN VAL 31 -12.914 1.527 -1.907 223 HA VAL 31 HA VAL 31 -12.952 -0.612 0.092 224 HB VAL 31 HB VAL 31 -13.962 2.232 0.321 225 HG11 VAL 31 1HG1 VAL 31 -13.585 0.103 2.422 226 HG12 VAL 31 2HG1 VAL 31 -15.127 0.708 1.814 227 HG13 VAL 31 3HG1 VAL 31 -14.060 1.774 2.728 228 HG21 VAL 31 3HG2 VAL 31 -11.538 2.171 0.067 229 HG22 VAL 31 1HG2 VAL 31 -11.421 0.999 1.379 230 HG23 VAL 31 2HG2 VAL 31 -11.986 2.637 1.709 231 H THR 32 HN THR 32 -14.687 -1.873 0.286 232 HA THR 32 HA THR 32 -16.834 -1.531 -1.603 233 HB THR 32 HB THR 32 -17.629 -3.692 -0.831 234 HG1 THR 32 1HG THR 32 -16.415 -4.737 0.901 235 HG21 THR 32 3HG2 THR 32 -15.676 -5.067 -1.329 236 HG22 THR 32 1HG2 THR 32 -14.617 -3.682 -1.053 237 HG23 THR 32 2HG2 THR 32 -15.743 -3.674 -2.409 238 H ASP 33 HN ASP 33 -19.090 -1.993 -0.878 239 HA ASP 33 HA ASP 33 -20.098 -0.167 0.974 240 HB2 ASP 33 2HB ASP 33 -21.602 -0.950 -0.637 241 HB3 ASP 33 1HB ASP 33 -21.197 -2.634 -0.333 242 H ASP 34 HN ASP 34 -19.140 -3.523 1.345 243 HA ASP 34 HA ASP 34 -20.197 -3.772 4.004 244 HB2 ASP 34 2HB ASP 34 -18.282 -5.524 2.457 245 HB3 ASP 34 1HB ASP 34 -18.908 -5.919 4.054 246 H GLY 35 HN GLY 35 -17.602 -2.138 2.799 247 HA2 GLY 35 2HA GLY 35 -16.115 -0.856 4.055 248 HA3 GLY 35 1HA GLY 35 -16.504 -1.830 5.466 249 H ASP 36 HN ASP 36 -15.656 -3.382 2.477 250 HA ASP 36 HA ASP 36 -13.268 -4.468 3.719 251 HB2 ASP 36 2HB ASP 36 -14.243 -4.943 0.906 252 HB3 ASP 36 1HB ASP 36 -13.048 -5.880 1.779 253 H ASN 37 HN ASN 37 -11.285 -3.850 3.336 254 HA ASN 37 HA ASN 37 -10.793 -1.793 1.318 255 HB2 ASN 37 2HB ASN 37 -9.118 -2.741 3.662 256 HB3 ASN 37 1HB ASN 37 -8.538 -1.595 2.459 257 HD21 ASN 37 1HD2 ASN 37 -8.263 0.035 3.969 258 HD22 ASN 37 2HD2 ASN 37 -9.600 0.870 4.680 259 H ARG 38 HN ARG 38 -10.441 -2.721 -0.609 260 HA ARG 38 HA ARG 38 -8.720 -5.109 -0.662 261 HB2 ARG 38 2HB ARG 38 -9.870 -5.872 -2.609 262 HB3 ARG 38 1HB ARG 38 -11.090 -5.416 -1.432 263 HG2 ARG 38 2HG ARG 38 -11.118 -3.166 -2.658 264 HG3 ARG 38 1HG ARG 38 -10.310 -4.038 -3.957 265 HD2 ARG 38 2HD ARG 38 -12.129 -5.637 -4.066 266 HD3 ARG 38 1HD ARG 38 -12.932 -4.851 -2.707 267 HE ARG 38 HE ARG 38 -12.537 -2.932 -4.700 268 HH11 ARG 38 1HH1 ARG 38 -14.417 -5.855 -4.170 269 HH12 ARG 38 2HH1 ARG 38 -15.688 -5.363 -5.248 270 HH21 ARG 38 1HH2 ARG 38 -14.223 -2.302 -6.092 271 HH22 ARG 38 2HH2 ARG 38 -15.575 -3.367 -6.352 272 H VAL 39 HN VAL 39 -7.138 -5.260 -2.199 273 HA VAL 39 HA VAL 39 -6.258 -2.653 -3.250 274 HB VAL 39 HB VAL 39 -4.526 -4.921 -2.253 275 HG11 VAL 39 1HG1 VAL 39 -2.662 -3.377 -2.541 276 HG12 VAL 39 2HG1 VAL 39 -3.760 -2.159 -3.189 277 HG13 VAL 39 3HG1 VAL 39 -3.487 -3.660 -4.075 278 HG21 VAL 39 3HG2 VAL 39 -5.119 -2.231 -1.031 279 HG22 VAL 39 1HG2 VAL 39 -3.936 -3.391 -0.430 280 HG23 VAL 39 2HG2 VAL 39 -5.651 -3.799 -0.422 281 H ALA 40 HN ALA 40 -6.152 -2.538 -5.368 282 HA ALA 40 HA ALA 40 -5.841 -5.041 -6.899 283 HB1 ALA 40 1HB ALA 40 -8.041 -3.994 -7.168 284 HB2 ALA 40 2HB ALA 40 -7.129 -4.011 -8.676 285 HB3 ALA 40 3HB ALA 40 -7.263 -2.519 -7.745 286 H ALA 41 HN ALA 41 -4.307 -2.166 -6.083 287 HA ALA 41 HA ALA 41 -2.355 -2.562 -8.206 288 HB1 ALA 41 1HB ALA 41 -3.666 0.123 -7.789 289 HB2 ALA 41 2HB ALA 41 -3.947 -0.949 -9.158 290 HB3 ALA 41 3HB ALA 41 -2.353 -0.237 -8.911 291 H LEU 42 HN LEU 42 -0.317 -1.679 -7.751 292 HA LEU 42 HA LEU 42 0.037 -0.728 -4.985 293 HB2 LEU 42 2HB LEU 42 1.853 -2.524 -6.599 294 HB3 LEU 42 1HB LEU 42 2.255 -1.851 -5.034 295 HG LEU 42 HG LEU 42 -0.019 -3.762 -5.561 296 HD11 LEU 42 1HD1 LEU 42 2.655 -4.230 -4.250 297 HD12 LEU 42 2HD1 LEU 42 2.186 -4.797 -5.852 298 HD13 LEU 42 3HD1 LEU 42 1.356 -5.410 -4.422 299 HD21 LEU 42 3HD2 LEU 42 -0.116 -3.913 -3.109 300 HD22 LEU 42 1HD2 LEU 42 -0.479 -2.287 -3.691 301 HD23 LEU 42 2HD2 LEU 42 1.103 -2.643 -2.997 302 H HIS 43 HN HIS 43 1.874 0.677 -4.645 303 HA HIS 43 HA HIS 43 3.307 1.782 -6.866 304 HB2 HIS 43 2HB HIS 43 1.242 2.950 -7.285 305 HB3 HIS 43 1HB HIS 43 1.077 3.386 -5.591 306 HD1 HIS 43 1HD HIS 43 3.453 4.091 -8.493 307 HD2 HIS 43 2HD HIS 43 1.989 5.859 -5.021 308 HE1 HIS 43 1HE HIS 43 4.396 6.424 -8.468 309 HE2 HIS 43 2HE HIS 43 3.722 7.352 -6.223 310 H ARG 44 HN ARG 44 5.229 2.515 -6.127 311 HA ARG 44 HA ARG 44 5.750 2.680 -3.323 312 HB2 ARG 44 2HB ARG 44 7.544 2.056 -4.890 313 HB3 ARG 44 1HB ARG 44 7.444 3.643 -5.646 314 HG2 ARG 44 2HG ARG 44 8.140 4.698 -3.572 315 HG3 ARG 44 1HG ARG 44 8.189 3.132 -2.773 316 HD2 ARG 44 2HD ARG 44 9.970 2.416 -4.293 317 HD3 ARG 44 1HD ARG 44 9.920 3.992 -5.087 318 HE ARG 44 HE ARG 44 10.297 4.426 -2.357 319 HH11 ARG 44 1HH1 ARG 44 12.056 2.934 -5.005 320 HH12 ARG 44 2HH1 ARG 44 13.608 3.337 -4.350 321 HH21 ARG 44 1HH2 ARG 44 12.346 4.932 -1.495 322 HH22 ARG 44 2HH2 ARG 44 13.777 4.487 -2.373 323 H ALA 45 HN ALA 45 5.961 4.453 -2.029 324 HA ALA 45 HA ALA 45 4.083 6.448 -2.401 325 HB1 ALA 45 1HB ALA 45 4.928 5.737 -0.224 326 HB2 ALA 45 2HB ALA 45 5.015 7.488 -0.414 327 HB3 ALA 45 3HB ALA 45 6.474 6.509 -0.572 328 H THR 46 HN THR 46 7.494 7.340 -1.981 329 HA THR 46 HA THR 46 7.201 9.814 -3.266 330 HB THR 46 HB THR 46 9.864 8.484 -3.142 331 HG1 THR 46 1HG THR 46 8.196 9.100 -0.924 332 HG21 THR 46 3HG2 THR 46 9.673 10.810 -3.890 333 HG22 THR 46 1HG2 THR 46 10.570 10.697 -2.374 334 HG23 THR 46 2HG2 THR 46 8.891 11.236 -2.366 335 H ASN 47 HN ASN 47 7.118 10.271 -5.345 336 HA ASN 47 HA ASN 47 7.336 8.177 -7.287 337 HB2 ASN 47 2HB ASN 47 6.266 9.575 -8.742 338 HB3 ASN 47 1HB ASN 47 5.840 10.396 -7.249 339 HD21 ASN 47 1HD2 ASN 47 6.893 12.341 -6.719 340 HD22 ASN 47 2HD2 ASN 47 7.715 13.273 -7.935 341 H ARG 48 HN ARG 48 9.254 11.048 -6.523 342 HA ARG 48 HA ARG 48 11.467 11.501 -6.741 343 HB2 ARG 48 2HB ARG 48 11.800 8.628 -7.603 344 HB3 ARG 48 1HB ARG 48 13.068 9.713 -7.045 345 HG2 ARG 48 2HG ARG 48 11.967 9.825 -4.847 346 HG3 ARG 48 1HG ARG 48 10.763 8.666 -5.414 347 HD2 ARG 48 2HD ARG 48 13.726 8.231 -5.087 348 HD3 ARG 48 1HD ARG 48 12.422 7.470 -4.177 349 HE ARG 48 HE ARG 48 11.891 6.739 -6.733 350 HH11 ARG 48 1HH1 ARG 48 14.725 6.523 -4.690 351 HH12 ARG 48 2HH1 ARG 48 15.389 5.153 -5.534 352 HH21 ARG 48 1HH2 ARG 48 12.714 4.908 -7.808 353 HH22 ARG 48 2HH2 ARG 48 14.217 4.202 -7.283 354 H ARG 49 HN ARG 49 9.613 10.519 -9.346 355 HA ARG 49 HA ARG 49 11.625 10.739 -11.393 356 HB2 ARG 49 2HB ARG 49 9.823 9.189 -11.735 357 HB3 ARG 49 1HB ARG 49 8.624 10.440 -11.459 358 HG2 ARG 49 2HG ARG 49 9.126 11.485 -13.541 359 HG3 ARG 49 1HG ARG 49 10.538 10.449 -13.780 360 HD2 ARG 49 2HD ARG 49 9.185 8.523 -14.072 361 HD3 ARG 49 1HD ARG 49 7.745 9.365 -13.506 362 HE ARG 49 HE ARG 49 7.711 10.595 -15.565 363 HH11 ARG 49 1HH1 ARG 49 10.045 7.987 -15.463 364 HH12 ARG 49 2HH1 ARG 49 10.066 7.761 -17.185 365 HH21 ARG 49 1HH2 ARG 49 7.706 10.279 -17.833 366 HH22 ARG 49 2HH2 ARG 49 8.743 9.069 -18.534 367 H SER 50 HN SER 50 8.992 12.703 -10.116 368 HA SER 50 HA SER 50 10.259 15.037 -11.389 369 HB2 SER 50 2HB SER 50 8.119 14.502 -12.539 370 HB3 SER 50 1HB SER 50 7.275 14.641 -10.998 371 HG SER 50 HG SER 50 8.838 16.755 -12.069 372 H GLU 51 HN GLU 51 10.223 16.951 -10.140 373 HA GLU 51 HA GLU 51 10.234 16.489 -7.306 374 HB2 GLU 51 2HB GLU 51 10.649 19.023 -8.905 375 HB3 GLU 51 1HB GLU 51 10.842 18.910 -7.163 376 HG2 GLU 51 2HG GLU 51 13.003 18.814 -8.121 377 HG3 GLU 51 1HG GLU 51 12.614 17.191 -7.553 378 H GLN 52 HN GLN 52 8.264 18.263 -9.600 379 HA GLN 52 HA GLN 52 6.063 18.765 -9.620 380 HB2 GLN 52 2HB GLN 52 5.692 16.571 -8.613 381 HB3 GLN 52 1HB GLN 52 5.950 17.244 -7.011 382 HG2 GLN 52 2HG GLN 52 3.948 18.511 -7.131 383 HG3 GLN 52 1HG GLN 52 3.752 18.152 -8.844 384 HE21 GLN 52 1HE2 GLN 52 4.785 15.707 -6.585 385 HE22 GLN 52 2HE2 GLN 52 3.322 14.793 -6.619 386 H ARG 53 HN ARG 53 8.179 19.863 -7.304 387 HA ARG 53 HA ARG 53 6.839 21.425 -5.520 388 HB2 ARG 53 2HB ARG 53 9.199 21.358 -5.387 389 HB3 ARG 53 1HB ARG 53 9.390 21.944 -7.033 390 HG2 ARG 53 2HG ARG 53 8.645 24.140 -6.389 391 HG3 ARG 53 1HG ARG 53 8.279 23.573 -4.759 392 HD2 ARG 53 2HD ARG 53 11.028 23.500 -5.983 393 HD3 ARG 53 1HD ARG 53 10.434 24.825 -4.983 394 HE ARG 53 HE ARG 53 10.235 22.196 -3.777 395 HH11 ARG 53 1HH1 ARG 53 12.224 25.057 -4.207 396 HH12 ARG 53 2HH1 ARG 53 13.143 24.777 -2.754 397 HH21 ARG 53 1HH2 ARG 53 11.400 21.848 -1.875 398 HH22 ARG 53 2HH2 ARG 53 12.653 22.964 -1.403 399 H THR 54 HN THR 54 7.932 22.640 -8.689 400 HA THR 54 HA THR 54 7.055 24.108 -10.160 401 HB THR 54 HB THR 54 4.516 23.771 -8.590 402 HG1 THR 54 1HG THR 54 4.950 21.762 -9.263 403 HG21 THR 54 3HG2 THR 54 3.387 24.405 -10.660 404 HG22 THR 54 1HG2 THR 54 4.946 24.592 -11.463 405 HG23 THR 54 2HG2 THR 54 4.494 25.682 -10.153 406 H ARG 55 HN ARG 55 5.379 24.977 -7.105 407 HA ARG 55 HA ARG 55 6.609 27.638 -7.263 408 HB2 ARG 55 2HB ARG 55 4.353 27.645 -8.404 409 HB3 ARG 55 1HB ARG 55 3.636 27.246 -6.852 410 HG2 ARG 55 2HG ARG 55 5.344 29.687 -7.167 411 HG3 ARG 55 1HG ARG 55 3.647 29.702 -7.642 412 HD2 ARG 55 2HD ARG 55 3.050 28.976 -5.347 413 HD3 ARG 55 1HD ARG 55 4.752 29.090 -4.901 414 HE ARG 55 HE ARG 55 4.135 31.551 -5.946 415 HH11 ARG 55 1HH1 ARG 55 2.882 29.580 -3.331 416 HH12 ARG 55 2HH1 ARG 55 2.344 30.934 -2.386 417 HH21 ARG 55 1HH2 ARG 55 3.437 33.339 -4.713 418 HH22 ARG 55 2HH2 ARG 55 2.677 33.082 -3.169 419 H ARG 56 HN ARG 56 4.372 25.606 -5.365 420 HA ARG 56 HA ARG 56 5.139 26.884 -2.900 421 HB2 ARG 56 2HB ARG 56 3.361 24.538 -3.534 422 HB3 ARG 56 1HB ARG 56 3.752 24.992 -1.883 423 HG2 ARG 56 2HG ARG 56 2.834 27.279 -2.428 424 HG3 ARG 56 1HG ARG 56 2.219 26.569 -3.924 425 HD2 ARG 56 2HD ARG 56 0.930 24.953 -2.674 426 HD3 ARG 56 1HD ARG 56 1.613 25.536 -1.158 427 HE ARG 56 HE ARG 56 -0.313 26.978 -2.857 428 HH11 ARG 56 1HH1 ARG 56 1.435 26.648 0.163 429 HH12 ARG 56 2HH1 ARG 56 0.370 27.690 1.045 430 HH21 ARG 56 1HH2 ARG 56 -1.729 28.355 -1.693 431 HH22 ARG 56 2HH2 ARG 56 -1.435 28.661 -0.007 432 H TYR 57 HN TYR 57 5.801 25.497 -1.028 433 HA TYR 57 HA TYR 57 8.091 23.884 -1.798 434 HB2 TYR 57 2HB TYR 57 7.115 24.653 0.966 435 HB3 TYR 57 1HB TYR 57 8.679 23.947 0.571 436 HD1 TYR 57 1HD TYR 57 10.414 25.299 -0.519 437 HD2 TYR 57 2HD TYR 57 6.666 26.994 0.564 438 HE1 TYR 57 1HE TYR 57 11.349 27.553 -0.826 439 HE2 TYR 57 2HE TYR 57 7.590 29.250 0.269 440 HH TYR 57 HH TYR 57 9.687 30.398 0.209 441 H GLU 58 HN GLU 58 8.014 21.740 -1.920 442 HA GLU 58 HA GLU 58 5.591 20.340 -1.576 443 HB2 GLU 58 2HB GLU 58 6.800 18.363 -2.221 444 HB3 GLU 58 1HB GLU 58 7.365 19.704 -3.202 445 HG2 GLU 58 2HG GLU 58 8.787 18.510 -0.828 446 HG3 GLU 58 1HG GLU 58 9.200 18.267 -2.523 447 H LEU 59 HN LEU 59 8.261 20.925 0.549 448 HA LEU 59 HA LEU 59 8.703 20.385 2.708 449 HB2 LEU 59 2HB LEU 59 6.407 21.311 2.998 450 HB3 LEU 59 1HB LEU 59 5.763 19.691 2.833 451 HG LEU 59 HG LEU 59 6.915 19.002 4.881 452 HD11 LEU 59 1HD1 LEU 59 7.809 21.876 5.056 453 HD12 LEU 59 2HD1 LEU 59 8.845 20.496 4.699 454 HD13 LEU 59 3HD1 LEU 59 8.066 20.626 6.276 455 HD21 LEU 59 3HD2 LEU 59 5.615 20.341 6.472 456 HD22 LEU 59 1HD2 LEU 59 4.657 19.881 5.064 457 HD23 LEU 59 2HD2 LEU 59 5.288 21.521 5.203 458 H THR 60 HN THR 60 8.976 18.434 0.629 459 HA THR 60 HA THR 60 9.599 16.300 0.314 460 HB THR 60 HB THR 60 10.703 16.957 2.640 461 HG1 THR 60 1HG THR 60 10.678 14.267 1.672 462 HG21 THR 60 3HG2 THR 60 10.334 15.222 4.338 463 HG22 THR 60 1HG2 THR 60 8.997 14.576 3.385 464 HG23 THR 60 2HG2 THR 60 8.885 16.192 4.079 465 H ALA 61 HN ALA 61 6.685 17.001 0.782 466 HA ALA 61 HA ALA 61 5.721 14.296 1.412 467 HB1 ALA 61 1HB ALA 61 4.181 16.889 1.404 468 HB2 ALA 61 2HB ALA 61 4.796 16.051 2.831 469 HB3 ALA 61 3HB ALA 61 3.545 15.304 1.838 470 H ASP 62 HN ASP 62 6.524 13.795 -0.820 471 HA ASP 62 HA ASP 62 4.697 14.665 -2.952 472 HB2 ASP 62 2HB ASP 62 7.002 14.766 -3.580 473 HB3 ASP 62 1HB ASP 62 7.314 13.155 -2.944 474 H ASP 63 HN ASP 63 5.390 12.098 -0.864 475 HA ASP 63 HA ASP 63 4.919 9.784 -2.190 476 HB2 ASP 63 2HB ASP 63 3.954 10.374 0.608 477 HB3 ASP 63 1HB ASP 63 4.373 8.798 -0.055 478 H TYR 64 HN TYR 64 2.338 11.593 -0.465 479 HA TYR 64 HA TYR 64 0.355 9.736 -1.287 480 HB2 TYR 64 2HB TYR 64 -0.032 11.007 0.734 481 HB3 TYR 64 1HB TYR 64 0.035 12.526 -0.160 482 HD1 TYR 64 2HD TYR 64 -1.925 9.408 0.271 483 HD2 TYR 64 1HD TYR 64 -1.891 13.383 -1.249 484 HE1 TYR 64 2HE TYR 64 -4.333 9.243 -0.199 485 HE2 TYR 64 1HE TYR 64 -4.296 13.224 -1.733 486 HH TYR 64 HH TYR 64 -5.926 11.281 -2.244 487 H ARG 65 HN ARG 65 1.349 12.903 -2.523 488 HA ARG 65 HA ARG 65 -0.810 13.354 -4.216 489 HB2 ARG 65 2HB ARG 65 2.064 14.225 -4.359 490 HB3 ARG 65 1HB ARG 65 0.876 14.739 -5.542 491 HG2 ARG 65 2HG ARG 65 -0.496 15.608 -3.614 492 HG3 ARG 65 1HG ARG 65 0.920 15.322 -2.600 493 HD2 ARG 65 2HD ARG 65 0.750 17.655 -3.421 494 HD3 ARG 65 1HD ARG 65 2.234 16.844 -3.921 495 HE ARG 65 HE ARG 65 1.395 16.701 -6.125 496 HH11 ARG 65 1HH1 ARG 65 -0.697 18.535 -3.973 497 HH12 ARG 65 2HH1 ARG 65 -1.595 19.250 -5.280 498 HH21 ARG 65 1HH2 ARG 65 0.237 17.674 -7.812 499 HH22 ARG 65 2HH2 ARG 65 -1.064 18.773 -7.449 500 H ALA 66 HN ALA 66 2.171 11.541 -4.790 501 HA ALA 66 HA ALA 66 1.599 11.057 -7.543 502 HB1 ALA 66 1HB ALA 66 3.479 9.593 -5.685 503 HB2 ALA 66 2HB ALA 66 3.887 10.978 -6.698 504 HB3 ALA 66 3HB ALA 66 3.441 9.443 -7.442 505 H ALA 67 HN ALA 67 1.002 9.308 -4.555 506 HA ALA 67 HA ALA 67 0.009 6.936 -5.773 507 HB1 ALA 67 1HB ALA 67 -0.579 8.050 -3.032 508 HB2 ALA 67 2HB ALA 67 0.773 6.996 -3.448 509 HB3 ALA 67 3HB ALA 67 -0.881 6.399 -3.576 510 H ASP 68 HN ASP 68 -1.456 9.918 -4.666 511 HA ASP 68 HA ASP 68 -4.163 9.229 -4.952 512 HB2 ASP 68 2HB ASP 68 -3.272 11.221 -3.748 513 HB3 ASP 68 1HB ASP 68 -2.888 11.948 -5.301 514 H ALA 69 HN ALA 69 -1.836 10.612 -7.227 515 HA ALA 69 HA ALA 69 -3.683 10.972 -9.362 516 HB1 ALA 69 1HB ALA 69 -0.694 10.600 -9.488 517 HB2 ALA 69 2HB ALA 69 -1.523 12.138 -9.249 518 HB3 ALA 69 3HB ALA 69 -1.719 11.255 -10.764 519 H ALA 70 HN ALA 70 -1.352 8.388 -8.625 520 HA ALA 70 HA ALA 70 -1.897 6.790 -10.870 521 HB1 ALA 70 1HB ALA 70 0.074 6.511 -9.413 522 HB2 ALA 70 2HB ALA 70 -0.794 4.999 -9.669 523 HB3 ALA 70 3HB ALA 70 -0.974 5.872 -8.146 524 H ALA 71 HN ALA 71 -3.465 7.000 -7.725 525 HA ALA 71 HA ALA 71 -5.122 4.748 -7.928 526 HB1 ALA 71 1HB ALA 71 -5.751 7.377 -6.583 527 HB2 ALA 71 2HB ALA 71 -4.816 6.066 -5.866 528 HB3 ALA 71 3HB ALA 71 -6.518 5.822 -6.255 529 H GLN 72 HN GLN 72 -5.738 8.135 -8.830 530 HA GLN 72 HA GLN 72 -8.310 7.689 -9.886 531 HB2 GLN 72 2HB GLN 72 -6.287 9.876 -10.275 532 HB3 GLN 72 1HB GLN 72 -7.849 9.903 -11.084 533 HG2 GLN 72 2HG GLN 72 -9.017 10.080 -9.068 534 HG3 GLN 72 1HG GLN 72 -7.616 9.592 -8.117 535 HE21 GLN 72 1HE2 GLN 72 -6.021 11.058 -7.670 536 HE22 GLN 72 2HE2 GLN 72 -6.249 12.759 -7.863 537 H GLU 73 HN GLU 73 -5.100 7.542 -11.349 538 HA GLU 73 HA GLU 73 -5.795 7.269 -14.013 539 HB2 GLU 73 2HB GLU 73 -3.563 6.153 -12.367 540 HB3 GLU 73 1HB GLU 73 -3.671 5.871 -14.097 541 HG2 GLU 73 2HG GLU 73 -3.653 8.586 -12.823 542 HG3 GLU 73 1HG GLU 73 -2.247 7.775 -13.479 543 H GLN 74 HN GLN 74 -5.614 4.799 -11.506 544 HA GLN 74 HA GLN 74 -6.465 2.714 -13.306 545 HB2 GLN 74 2HB GLN 74 -5.545 2.894 -10.499 546 HB3 GLN 74 1HB GLN 74 -6.599 1.545 -10.896 547 HG2 GLN 74 2HG GLN 74 -4.274 0.913 -11.085 548 HG3 GLN 74 1HG GLN 74 -5.061 0.857 -12.657 549 HE21 GLN 74 1HE2 GLN 74 -2.745 2.495 -10.669 550 HE22 GLN 74 2HE2 GLN 74 -1.990 3.395 -11.932 551 H GLY 75 HN GLY 75 -8.032 5.075 -11.495 552 HA2 GLY 75 2HA GLY 75 -10.311 5.430 -11.198 553 HA3 GLY 75 1HA GLY 75 -10.614 3.834 -11.874 554 H LEU 76 HN LEU 76 -8.440 4.505 -9.238 555 HA LEU 76 HA LEU 76 -10.233 3.068 -7.399 556 HB2 LEU 76 2HB LEU 76 -7.227 2.849 -7.607 557 HB3 LEU 76 1HB LEU 76 -8.231 2.025 -6.434 558 HG LEU 76 HG LEU 76 -8.343 1.568 -9.417 559 HD11 LEU 76 1HD1 LEU 76 -6.238 0.780 -8.473 560 HD12 LEU 76 2HD1 LEU 76 -7.271 -0.574 -8.928 561 HD13 LEU 76 3HD1 LEU 76 -7.118 -0.114 -7.233 562 HD21 LEU 76 3HD2 LEU 76 -9.653 0.096 -7.134 563 HD22 LEU 76 1HD2 LEU 76 -9.729 -0.356 -8.838 564 HD23 LEU 76 2HD2 LEU 76 -10.469 1.149 -8.290 565 H ASP 77 HN ASP 77 -9.114 3.337 -5.056 566 HA ASP 77 HA ASP 77 -8.056 6.055 -4.773 567 HB2 ASP 77 2HB ASP 77 -9.481 6.520 -2.868 568 HB3 ASP 77 1HB ASP 77 -10.478 6.141 -4.264 569 H VAL 78 HN VAL 78 -7.429 6.271 -2.271 570 HA VAL 78 HA VAL 78 -5.466 4.169 -1.895 571 HB VAL 78 HB VAL 78 -5.892 6.681 -0.259 572 HG11 VAL 78 1HG1 VAL 78 -3.577 6.319 0.458 573 HG12 VAL 78 2HG1 VAL 78 -3.538 4.809 -0.452 574 HG13 VAL 78 3HG1 VAL 78 -4.627 4.980 0.923 575 HG21 VAL 78 3HG2 VAL 78 -4.040 6.177 -2.585 576 HG22 VAL 78 1HG2 VAL 78 -4.013 7.610 -1.556 577 HG23 VAL 78 2HG2 VAL 78 -5.423 7.271 -2.560 578 H VAL 79 HN VAL 79 -6.040 2.407 -0.815 579 HA VAL 79 HA VAL 79 -8.149 2.597 1.210 580 HB VAL 79 HB VAL 79 -8.284 0.143 1.061 581 HG11 VAL 79 1HG1 VAL 79 -8.424 1.512 -1.623 582 HG12 VAL 79 2HG1 VAL 79 -9.677 1.543 -0.381 583 HG13 VAL 79 3HG1 VAL 79 -9.252 0.023 -1.169 584 HG21 VAL 79 3HG2 VAL 79 -6.167 0.439 -1.067 585 HG22 VAL 79 1HG2 VAL 79 -7.069 -1.039 -0.723 586 HG23 VAL 79 2HG2 VAL 79 -5.984 -0.365 0.492 587 H GLY 80 HN GLY 80 -4.804 2.469 1.026 588 HA2 GLY 80 2HA GLY 80 -4.473 2.302 3.817 589 HA3 GLY 80 1HA GLY 80 -4.106 0.739 3.102 590 H VAL 81 HN VAL 81 -2.067 1.665 4.328 591 HA VAL 81 HA VAL 81 -0.293 2.712 2.225 592 HB VAL 81 HB VAL 81 0.065 3.546 5.088 593 HG11 VAL 81 1HG1 VAL 81 1.980 3.770 3.619 594 HG12 VAL 81 2HG1 VAL 81 1.386 5.351 4.128 595 HG13 VAL 81 3HG1 VAL 81 1.025 4.755 2.509 596 HG21 VAL 81 3HG2 VAL 81 -1.481 5.093 3.009 597 HG22 VAL 81 1HG2 VAL 81 -1.003 5.700 4.594 598 HG23 VAL 81 2HG2 VAL 81 -2.146 4.363 4.470 599 H TYR 82 HN TYR 82 1.918 2.061 2.522 600 HA TYR 82 HA TYR 82 2.412 0.104 4.616 601 HB2 TYR 82 2HB TYR 82 3.289 -1.581 3.096 602 HB3 TYR 82 1HB TYR 82 1.606 -1.243 2.729 603 HD1 TYR 82 2HD TYR 82 0.985 -0.129 0.652 604 HD2 TYR 82 1HD TYR 82 5.045 -1.041 1.516 605 HE1 TYR 82 2HE TYR 82 1.560 0.221 -1.712 606 HE2 TYR 82 1HE TYR 82 5.632 -0.699 -0.846 607 HH TYR 82 HH TYR 82 3.642 0.851 -3.025 608 H HIS 83 HN HIS 83 4.465 0.025 5.306 609 HA HIS 83 HA HIS 83 6.567 1.227 3.723 610 HB2 HIS 83 2HB HIS 83 7.394 2.657 5.563 611 HB3 HIS 83 1HB HIS 83 5.835 3.176 4.951 612 HD1 HIS 83 1HD HIS 83 4.616 4.163 6.836 613 HD2 HIS 83 2HD HIS 83 6.692 0.742 7.976 614 HE1 HIS 83 1HE HIS 83 4.067 3.810 9.263 615 HE2 HIS 83 2HE HIS 83 5.543 1.900 9.990 616 H SER 84 HN SER 84 8.716 0.712 4.582 617 HA SER 84 HA SER 84 8.520 -2.017 5.630 618 HB2 SER 84 2HB SER 84 10.812 -0.746 4.119 619 HB3 SER 84 1HB SER 84 10.564 -2.465 4.431 620 HG SER 84 HG SER 84 9.318 -2.550 2.750 621 H HIS 85 HN HIS 85 10.142 -2.791 7.052 622 HA HIS 85 HA HIS 85 11.260 -0.698 8.789 623 HB2 HIS 85 2HB HIS 85 10.126 -3.405 9.371 624 HB3 HIS 85 1HB HIS 85 11.361 -2.753 10.434 625 HD1 HIS 85 1HD HIS 85 8.872 -3.218 11.823 626 HD2 HIS 85 2HD HIS 85 9.458 0.284 9.655 627 HE1 HIS 85 1HE HIS 85 7.273 -1.539 12.802 628 HE2 HIS 85 2HE HIS 85 7.745 0.609 11.578 629 HA PRO 86 HA PRO 86 15.064 -2.587 6.966 630 HB2 PRO 86 2HB PRO 86 16.557 -0.373 7.700 631 HB3 PRO 86 1HB PRO 86 15.806 -0.603 6.119 632 HG2 PRO 86 2HG PRO 86 14.861 0.996 8.452 633 HG3 PRO 86 1HG PRO 86 14.753 1.360 6.720 634 HD2 PRO 86 2HD PRO 86 12.633 0.473 8.123 635 HD3 PRO 86 1HD PRO 86 12.891 0.017 6.426 636 H ASP 87 HN ASP 87 15.947 -4.025 8.263 637 HA ASP 87 HA ASP 87 17.154 -4.960 9.949 638 HB2 ASP 87 2HB ASP 87 18.438 -2.918 10.203 639 HB3 ASP 87 1HB ASP 87 17.154 -2.189 11.158 640 H HIS 88 HN HIS 88 14.491 -2.854 10.925 641 HA HIS 88 HA HIS 88 13.865 -4.440 13.252 642 HB2 HIS 88 2HB HIS 88 12.461 -2.172 11.849 643 HB3 HIS 88 1HB HIS 88 11.696 -3.056 13.164 644 HD1 HIS 88 1HD HIS 88 13.673 -0.153 12.549 645 HD2 HIS 88 2HD HIS 88 13.460 -2.968 15.605 646 HE1 HIS 88 1HE HIS 88 14.710 0.948 14.564 647 HE2 HIS 88 2HE HIS 88 14.721 -0.836 16.351 648 HA PRO 89 HA PRO 89 11.136 -7.282 11.169 649 HB2 PRO 89 2HB PRO 89 9.626 -7.761 13.564 650 HB3 PRO 89 1HB PRO 89 10.902 -8.755 12.863 651 HG2 PRO 89 2HG PRO 89 11.126 -7.409 15.249 652 HG3 PRO 89 1HG PRO 89 12.500 -7.892 14.239 653 HD2 PRO 89 2HD PRO 89 11.159 -5.223 14.467 654 HD3 PRO 89 1HD PRO 89 12.888 -5.611 14.322 655 H ALA 90 HN ALA 90 8.619 -7.871 11.363 656 HA ALA 90 HA ALA 90 7.214 -5.588 10.430 657 HB1 ALA 90 1HB ALA 90 6.777 -7.823 9.553 658 HB2 ALA 90 2HB ALA 90 5.307 -7.109 10.218 659 HB3 ALA 90 3HB ALA 90 6.185 -8.334 11.134 660 H ARG 91 HN ARG 91 4.651 -5.937 11.455 661 HA ARG 91 HA ARG 91 3.255 -5.177 13.057 662 HB2 ARG 91 2HB ARG 91 5.439 -5.879 15.027 663 HB3 ARG 91 1HB ARG 91 3.734 -5.647 15.373 664 HG2 ARG 91 2HG ARG 91 3.126 -7.636 14.309 665 HG3 ARG 91 1HG ARG 91 4.688 -7.774 13.498 666 HD2 ARG 91 2HD ARG 91 5.735 -8.044 15.752 667 HD3 ARG 91 1HD ARG 91 4.110 -8.110 16.437 668 HE ARG 91 HE ARG 91 3.796 -10.210 15.478 669 HH11 ARG 91 1HH1 ARG 91 6.931 -8.864 14.651 670 HH12 ARG 91 2HH1 ARG 91 7.540 -10.354 13.994 671 HH21 ARG 91 1HH2 ARG 91 4.612 -12.181 14.662 672 HH22 ARG 91 2HH2 ARG 91 6.234 -12.250 14.021 673 HA PRO 92 HA PRO 92 4.416 -0.950 13.449 674 HB2 PRO 92 2HB PRO 92 2.526 -0.106 15.226 675 HB3 PRO 92 1HB PRO 92 2.190 -0.423 13.520 676 HG2 PRO 92 2HG PRO 92 1.683 -2.157 15.903 677 HG3 PRO 92 1HG PRO 92 0.657 -1.868 14.488 678 HD2 PRO 92 2HD PRO 92 2.160 -4.100 14.765 679 HD3 PRO 92 1HD PRO 92 1.810 -3.371 13.185 680 H SER 93 HN SER 93 6.113 -0.180 14.514 681 HA SER 93 HA SER 93 6.665 -0.943 17.244 682 HB2 SER 93 2HB SER 93 8.132 0.939 15.370 683 HB3 SER 93 1HB SER 93 8.739 0.361 16.923 684 HG SER 93 HG SER 93 8.966 -1.656 16.112 685 H ALA 94 HN ALA 94 7.633 1.160 18.534 686 HA ALA 94 HA ALA 94 5.373 2.536 19.427 687 HB1 ALA 94 1HB ALA 94 8.271 3.310 19.742 688 HB2 ALA 94 2HB ALA 94 7.362 2.233 20.802 689 HB3 ALA 94 3HB ALA 94 6.926 3.938 20.697 690 H THR 95 HN THR 95 7.996 3.638 17.287 691 HA THR 95 HA THR 95 7.017 6.254 16.921 692 HB THR 95 HB THR 95 8.700 4.642 14.987 693 HG1 THR 95 1HG THR 95 10.254 6.196 16.374 694 HG21 THR 95 3HG2 THR 95 8.471 7.621 15.441 695 HG22 THR 95 1HG2 THR 95 7.846 6.738 14.049 696 HG23 THR 95 2HG2 THR 95 9.585 6.831 14.324 697 H ASP 96 HN ASP 96 6.418 3.238 15.154 698 HA ASP 96 HA ASP 96 4.980 4.319 12.999 699 HB2 ASP 96 2HB ASP 96 4.686 1.616 14.331 700 HB3 ASP 96 1HB ASP 96 3.954 2.055 12.794 701 H LEU 97 HN LEU 97 3.944 3.212 16.181 702 HA LEU 97 HA LEU 97 1.169 3.665 15.779 703 HB2 LEU 97 2HB LEU 97 2.241 2.181 17.520 704 HB3 LEU 97 1HB LEU 97 2.678 3.630 18.399 705 HG LEU 97 HG LEU 97 -0.192 3.025 17.736 706 HD11 LEU 97 1HD1 LEU 97 -0.383 1.963 19.940 707 HD12 LEU 97 2HD1 LEU 97 1.367 2.068 20.134 708 HD13 LEU 97 3HD1 LEU 97 0.679 1.059 18.862 709 HD21 LEU 97 3HD2 LEU 97 0.298 5.273 18.535 710 HD22 LEU 97 1HD2 LEU 97 1.130 4.609 19.941 711 HD23 LEU 97 2HD2 LEU 97 -0.607 4.370 19.749 712 H GLU 98 HN GLU 98 3.789 5.575 17.176 713 HA GLU 98 HA GLU 98 2.225 7.675 18.176 714 HB2 GLU 98 2HB GLU 98 5.105 7.371 17.471 715 HB3 GLU 98 1HB GLU 98 4.485 8.962 17.881 716 HG2 GLU 98 2HG GLU 98 4.378 6.499 19.609 717 HG3 GLU 98 1HG GLU 98 5.433 7.892 19.824 718 H GLU 99 HN GLU 99 3.686 7.200 14.989 719 HA GLU 99 HA GLU 99 2.691 9.836 14.202 720 HB2 GLU 99 2HB GLU 99 4.555 7.950 12.758 721 HB3 GLU 99 1HB GLU 99 4.065 9.534 12.172 722 HG2 GLU 99 2HG GLU 99 4.994 10.405 14.411 723 HG3 GLU 99 1HG GLU 99 5.807 8.846 14.501 724 H ALA 100 HN ALA 100 1.164 7.161 14.508 725 HA ALA 100 HA ALA 100 -0.032 6.925 11.876 726 HB1 ALA 100 1HB ALA 100 0.180 4.933 13.290 727 HB2 ALA 100 2HB ALA 100 -1.507 5.279 12.904 728 HB3 ALA 100 3HB ALA 100 -0.866 5.681 14.496 729 H THR 101 HN THR 101 -0.634 9.121 11.666 730 HA THR 101 HA THR 101 -2.385 10.350 13.593 731 HB THR 101 HB THR 101 -1.658 11.446 10.889 732 HG1 THR 101 1HG THR 101 -0.123 11.434 13.302 733 HG21 THR 101 3HG2 THR 101 -2.203 12.787 13.541 734 HG22 THR 101 1HG2 THR 101 -3.340 12.680 12.196 735 HG23 THR 101 2HG2 THR 101 -1.848 13.603 12.017 736 H PHE 102 HN PHE 102 -2.784 8.588 10.641 737 HA PHE 102 HA PHE 102 -5.504 9.655 10.338 738 HB2 PHE 102 2HB PHE 102 -5.217 9.260 7.855 739 HB3 PHE 102 1HB PHE 102 -4.286 10.584 8.540 740 HD1 PHE 102 1HD PHE 102 -1.823 10.133 9.091 741 HD2 PHE 102 2HD PHE 102 -4.175 7.588 6.620 742 HE1 PHE 102 1HE PHE 102 0.227 9.194 8.113 743 HE2 PHE 102 2HE PHE 102 -2.128 6.645 5.643 744 HZ PHE 102 HZ PHE 102 0.078 7.448 6.389 745 HA PRO 103 HA PRO 103 -6.141 5.149 10.926 746 HB2 PRO 103 2HB PRO 103 -8.742 6.054 11.926 747 HB3 PRO 103 1HB PRO 103 -7.511 5.081 12.734 748 HG2 PRO 103 2HG PRO 103 -8.047 7.626 13.455 749 HG3 PRO 103 1HG PRO 103 -6.428 6.918 13.586 750 HD2 PRO 103 2HD PRO 103 -7.525 8.768 11.505 751 HD3 PRO 103 1HD PRO 103 -5.927 8.761 12.277 752 H GLY 104 HN GLY 104 -8.339 3.933 10.384 753 HA2 GLY 104 2HA GLY 104 -10.100 3.597 8.864 754 HA3 GLY 104 1HA GLY 104 -9.686 5.119 8.083 755 H PHE 105 HN PHE 105 -6.972 4.693 7.655 756 HA PHE 105 HA PHE 105 -7.005 2.947 5.378 757 HB2 PHE 105 2HB PHE 105 -4.786 4.539 6.680 758 HB3 PHE 105 1HB PHE 105 -4.586 3.606 5.202 759 HD1 PHE 105 1HD PHE 105 -6.102 6.591 6.692 760 HD2 PHE 105 2HD PHE 105 -5.497 4.356 3.123 761 HE1 PHE 105 1HE PHE 105 -6.845 8.523 5.361 762 HE2 PHE 105 2HE PHE 105 -6.237 6.283 1.787 763 HZ PHE 105 HZ PHE 105 -6.910 8.369 2.901 764 H THR 106 HN THR 106 -5.684 1.107 5.080 765 HA THR 106 HA THR 106 -5.156 -0.381 7.527 766 HB THR 106 HB THR 106 -4.793 -1.318 4.674 767 HG1 THR 106 1HG THR 106 -7.108 -1.207 6.325 768 HG21 THR 106 3HG2 THR 106 -5.243 -2.806 7.267 769 HG22 THR 106 1HG2 THR 106 -3.730 -2.724 6.363 770 HG23 THR 106 2HG2 THR 106 -5.127 -3.547 5.671 771 H TYR 107 HN TYR 107 -3.176 -0.497 8.391 772 HA TYR 107 HA TYR 107 -0.919 0.597 6.885 773 HB2 TYR 107 2HB TYR 107 -1.142 -0.211 9.793 774 HB3 TYR 107 1HB TYR 107 0.281 0.509 9.055 775 HD1 TYR 107 2HD TYR 107 -0.066 2.854 7.966 776 HD2 TYR 107 1HD TYR 107 -2.718 1.137 10.812 777 HE1 TYR 107 2HE TYR 107 -0.915 5.095 8.520 778 HE2 TYR 107 1HE TYR 107 -3.572 3.371 11.374 779 HH TYR 107 HH TYR 107 -3.204 6.000 9.527 780 H VAL 108 HN VAL 108 0.296 -0.774 5.761 781 HA VAL 108 HA VAL 108 0.537 -3.540 6.717 782 HB VAL 108 HB VAL 108 1.216 -2.383 4.005 783 HG11 VAL 108 1HG1 VAL 108 1.263 -5.249 4.939 784 HG12 VAL 108 2HG1 VAL 108 2.676 -4.257 4.578 785 HG13 VAL 108 3HG1 VAL 108 1.551 -4.689 3.291 786 HG21 VAL 108 3HG2 VAL 108 -1.178 -2.475 4.415 787 HG22 VAL 108 1HG2 VAL 108 -1.046 -4.173 4.868 788 HG23 VAL 108 2HG2 VAL 108 -0.700 -3.673 3.213 789 H ILE 109 HN ILE 109 2.279 -4.091 7.761 790 HA ILE 109 HA ILE 109 4.752 -2.531 7.391 791 HB ILE 109 HB ILE 109 4.073 -4.323 9.729 792 HG12 ILE 109 2HG1 ILE 109 2.472 -2.460 9.659 793 HG13 ILE 109 1HG1 ILE 109 3.582 -2.287 11.013 794 HG21 ILE 109 1HG2 ILE 109 6.440 -3.980 9.399 795 HG22 ILE 109 2HG2 ILE 109 5.907 -3.100 10.831 796 HG23 ILE 109 3HG2 ILE 109 6.208 -2.233 9.326 797 HD11 ILE 109 3HD1 ILE 109 4.872 -0.651 9.730 798 HD12 ILE 109 1HD1 ILE 109 3.192 -0.157 9.948 799 HD13 ILE 109 2HD1 ILE 109 3.726 -0.808 8.398 800 H VAL 110 HN VAL 110 6.259 -3.555 6.233 801 HA VAL 110 HA VAL 110 6.223 -6.503 6.179 802 HB VAL 110 HB VAL 110 5.690 -5.607 3.999 803 HG11 VAL 110 1HG1 VAL 110 6.678 -3.390 4.249 804 HG12 VAL 110 2HG1 VAL 110 7.203 -4.167 2.754 805 HG13 VAL 110 3HG1 VAL 110 8.290 -4.093 4.142 806 HG21 VAL 110 3HG2 VAL 110 8.501 -6.689 4.123 807 HG22 VAL 110 1HG2 VAL 110 7.520 -6.601 2.660 808 HG23 VAL 110 2HG2 VAL 110 7.009 -7.621 4.003 809 H SER 111 HN SER 111 7.928 -7.591 6.744 810 HA SER 111 HA SER 111 10.211 -6.287 7.893 811 HB2 SER 111 2HB SER 111 9.568 -9.195 7.385 812 HB3 SER 111 1HB SER 111 10.885 -8.611 8.396 813 HG SER 111 HG SER 111 8.997 -9.224 9.574 814 H VAL 112 HN VAL 112 11.881 -5.618 6.648 815 HA VAL 112 HA VAL 112 12.713 -7.390 4.443 816 HB VAL 112 HB VAL 112 13.142 -4.394 4.591 817 HG11 VAL 112 1HG1 VAL 112 13.738 -6.341 2.367 818 HG12 VAL 112 2HG1 VAL 112 14.935 -5.629 3.449 819 HG13 VAL 112 3HG1 VAL 112 14.026 -4.601 2.342 820 HG21 VAL 112 3HG2 VAL 112 11.571 -4.255 2.708 821 HG22 VAL 112 1HG2 VAL 112 10.799 -4.921 4.147 822 HG23 VAL 112 2HG2 VAL 112 11.278 -5.990 2.829 823 H ARG 113 HN ARG 113 14.535 -8.433 4.961 824 HA ARG 113 HA ARG 113 16.339 -7.076 6.859 825 HB2 ARG 113 2HB ARG 113 15.082 -9.046 7.787 826 HB3 ARG 113 1HB ARG 113 15.919 -10.060 6.622 827 HG2 ARG 113 2HG ARG 113 18.004 -9.697 7.650 828 HG3 ARG 113 1HG ARG 113 17.380 -8.357 8.616 829 HD2 ARG 113 2HD ARG 113 15.937 -9.900 9.835 830 HD3 ARG 113 1HD ARG 113 16.534 -11.242 8.860 831 HE ARG 113 HE ARG 113 18.607 -11.099 9.970 832 HH11 ARG 113 1HH1 ARG 113 16.224 -8.884 11.253 833 HH12 ARG 113 2HH1 ARG 113 17.103 -8.570 12.715 834 HH21 ARG 113 1HH2 ARG 113 19.756 -10.725 11.882 835 HH22 ARG 113 2HH2 ARG 113 19.131 -9.633 13.083 836 H ASP 114 HN ASP 114 17.261 -6.191 4.943 837 HA ASP 114 HA ASP 114 18.715 -6.032 3.214 838 HB2 ASP 114 2HB ASP 114 20.301 -6.353 4.997 839 HB3 ASP 114 1HB ASP 114 20.130 -8.099 4.890 840 H GLY 115 HN GLY 115 17.390 -6.788 1.570 841 HA2 GLY 115 2HA GLY 115 17.271 -8.004 -0.396 842 HA3 GLY 115 1HA GLY 115 18.454 -9.126 0.259 843 H ALA 116 HN ALA 116 17.011 -9.717 2.675 844 HA ALA 116 HA ALA 116 15.010 -11.476 1.461 845 HB1 ALA 116 1HB ALA 116 15.364 -12.957 3.363 846 HB2 ALA 116 2HB ALA 116 16.505 -11.799 4.049 847 HB3 ALA 116 3HB ALA 116 16.880 -12.610 2.530 848 HA PRO 117 HA PRO 117 12.046 -9.124 3.927 849 HB2 PRO 117 2HB PRO 117 10.099 -10.115 2.020 850 HB3 PRO 117 1HB PRO 117 10.610 -8.450 2.305 851 HG2 PRO 117 2HG PRO 117 11.169 -9.825 0.018 852 HG3 PRO 117 1HG PRO 117 12.188 -8.518 0.647 853 HD2 PRO 117 2HD PRO 117 12.553 -11.485 0.872 854 HD3 PRO 117 1HD PRO 117 13.762 -10.221 0.550 855 H GLU 118 HN GLU 118 11.162 -10.065 5.654 856 HA GLU 118 HA GLU 118 10.871 -12.905 5.841 857 HB2 GLU 118 2HB GLU 118 11.546 -11.698 7.807 858 HB3 GLU 118 1HB GLU 118 10.144 -10.643 7.709 859 HG2 GLU 118 2HG GLU 118 8.716 -12.660 8.100 860 HG3 GLU 118 1HG GLU 118 10.197 -13.560 8.427 861 H ALA 119 HN ALA 119 8.428 -10.490 6.703 862 HA ALA 119 HA ALA 119 6.471 -11.669 4.936 863 HB1 ALA 119 1HB ALA 119 6.384 -13.183 6.856 864 HB2 ALA 119 2HB ALA 119 4.898 -12.241 6.725 865 HB3 ALA 119 3HB ALA 119 6.112 -11.813 7.932 866 H LEU 120 HN LEU 120 4.465 -10.430 4.929 867 HA LEU 120 HA LEU 120 4.830 -7.757 6.068 868 HB2 LEU 120 2HB LEU 120 3.507 -6.794 4.314 869 HB3 LEU 120 1HB LEU 120 4.816 -7.708 3.615 870 HG LEU 120 HG LEU 120 2.971 -8.018 2.206 871 HD11 LEU 120 1HD1 LEU 120 2.975 -10.491 3.909 872 HD12 LEU 120 2HD1 LEU 120 4.198 -10.092 2.701 873 HD13 LEU 120 3HD1 LEU 120 2.526 -10.361 2.209 874 HD21 LEU 120 3HD2 LEU 120 0.755 -8.732 2.913 875 HD22 LEU 120 1HD2 LEU 120 1.216 -7.210 3.676 876 HD23 LEU 120 2HD2 LEU 120 1.279 -8.713 4.597 877 H THR 121 HN THR 121 3.273 -6.875 7.307 878 HA THR 121 HA THR 121 0.969 -8.605 7.913 879 HB THR 121 HB THR 121 1.130 -7.680 10.263 880 HG1 THR 121 1HG THR 121 3.467 -6.590 9.125 881 HG21 THR 121 3HG2 THR 121 3.434 -9.348 9.257 882 HG22 THR 121 1HG2 THR 121 1.857 -9.946 9.775 883 HG23 THR 121 2HG2 THR 121 2.947 -9.200 10.944 884 H ALA 122 HN ALA 122 -1.004 -7.623 8.092 885 HA ALA 122 HA ALA 122 -1.032 -4.731 7.548 886 HB1 ALA 122 1HB ALA 122 -2.052 -6.108 5.783 887 HB2 ALA 122 2HB ALA 122 -3.237 -5.060 6.561 888 HB3 ALA 122 3HB ALA 122 -3.180 -6.775 6.966 889 H TRP 123 HN TRP 123 -2.165 -3.385 8.826 890 HA TRP 123 HA TRP 123 -3.500 -4.539 11.172 891 HB2 TRP 123 2HB TRP 123 -1.405 -2.359 11.235 892 HB3 TRP 123 1HB TRP 123 -2.306 -2.962 12.623 893 HD1 TRP 123 1HD TRP 123 0.524 -3.940 10.230 894 HE1 TRP 123 1HE TRP 123 1.821 -5.911 11.273 895 HE3 TRP 123 3HE TRP 123 -2.563 -4.936 14.177 896 HZ2 TRP 123 2HZ TRP 123 1.554 -7.658 13.480 897 HZ3 TRP 123 3HZ TRP 123 -1.993 -6.780 15.698 898 HH2 TRP 123 2HH TRP 123 0.030 -8.112 15.357 899 H ALA 124 HN ALA 124 -5.137 -3.358 12.018 900 HA ALA 124 HA ALA 124 -5.857 -0.871 10.617 901 HB1 ALA 124 1HB ALA 124 -7.515 -2.660 10.398 902 HB2 ALA 124 2HB ALA 124 -8.156 -1.317 11.344 903 HB3 ALA 124 3HB ALA 124 -7.617 -2.786 12.155 904 H LEU 125 HN LEU 125 -5.805 0.965 11.743 905 HA LEU 125 HA LEU 125 -5.054 0.889 14.542 906 HB2 LEU 125 2HB LEU 125 -3.895 2.447 13.083 907 HB3 LEU 125 1HB LEU 125 -5.414 3.181 12.607 908 HG LEU 125 HG LEU 125 -5.726 3.950 14.956 909 HD11 LEU 125 1HD1 LEU 125 -2.901 2.961 15.295 910 HD12 LEU 125 2HD1 LEU 125 -4.338 2.294 16.071 911 HD13 LEU 125 3HD1 LEU 125 -3.804 3.930 16.460 912 HD21 LEU 125 3HD2 LEU 125 -4.090 5.753 14.822 913 HD22 LEU 125 1HD2 LEU 125 -4.823 5.430 13.250 914 HD23 LEU 125 2HD2 LEU 125 -3.194 4.851 13.599 915 H ALA 126 HN ALA 126 -6.393 1.185 16.195 916 HA ALA 126 HA ALA 126 -9.179 1.520 15.865 917 HB1 ALA 126 1HB ALA 126 -8.219 0.398 17.815 918 HB2 ALA 126 2HB ALA 126 -9.240 1.753 18.302 919 HB3 ALA 126 3HB ALA 126 -7.484 1.918 18.329 920 HA PRO 127 HA PRO 127 -9.411 5.848 15.060 921 HB2 PRO 127 2HB PRO 127 -11.884 6.324 16.219 922 HB3 PRO 127 1HB PRO 127 -11.631 5.700 14.587 923 HG2 PRO 127 2HG PRO 127 -12.271 4.222 17.104 924 HG3 PRO 127 1HG PRO 127 -12.876 3.952 15.459 925 HD2 PRO 127 2HD PRO 127 -10.983 2.386 16.527 926 HD3 PRO 127 1HD PRO 127 -10.955 2.828 14.807 927 H ASP 128 HN ASP 128 -9.759 4.568 18.256 928 HA ASP 128 HA ASP 128 -9.674 7.132 19.578 929 HB2 ASP 128 2HB ASP 128 -9.435 4.327 20.680 930 HB3 ASP 128 1HB ASP 128 -9.577 5.788 21.650 931 H ARG 129 HN ARG 129 -7.404 5.310 18.040 932 HA ARG 129 HA ARG 129 -5.140 5.204 18.011 933 HB2 ARG 129 2HB ARG 129 -5.524 7.674 19.673 934 HB3 ARG 129 1HB ARG 129 -3.918 6.997 19.468 935 HG2 ARG 129 2HG ARG 129 -4.211 8.731 17.863 936 HG3 ARG 129 1HG ARG 129 -4.213 7.187 17.011 937 HD2 ARG 129 2HD ARG 129 -6.598 7.247 16.783 938 HD3 ARG 129 1HD ARG 129 -6.708 8.668 17.822 939 HE ARG 129 HE ARG 129 -5.061 9.097 15.520 940 HH11 ARG 129 1HH1 ARG 129 -8.380 9.006 16.617 941 HH12 ARG 129 2HH1 ARG 129 -8.923 10.192 15.463 942 HH21 ARG 129 1HH2 ARG 129 -5.788 10.642 13.982 943 HH22 ARG 129 2HH2 ARG 129 -7.461 11.104 13.972 944 H SER 130 HN SER 130 -6.785 3.816 20.055 945 HA SER 130 HA SER 130 -5.258 3.664 22.451 946 HB2 SER 130 2HB SER 130 -6.683 1.604 22.852 947 HB3 SER 130 1HB SER 130 -7.577 3.101 22.590 948 HG SER 130 HG SER 130 -7.985 0.915 21.342 949 H GLU 131 HN GLU 131 -5.619 1.521 19.639 950 HA GLU 131 HA GLU 131 -2.915 0.614 19.846 951 HB2 GLU 131 2HB GLU 131 -3.377 -1.715 20.348 952 HB3 GLU 131 1HB GLU 131 -4.011 -0.712 21.645 953 HG2 GLU 131 2HG GLU 131 -6.254 -0.875 20.595 954 HG3 GLU 131 1HG GLU 131 -5.579 -2.010 19.429 955 H PHE 132 HN PHE 132 -2.755 -1.457 18.333 956 HA PHE 132 HA PHE 132 -4.349 -0.927 15.922 957 HB2 PHE 132 2HB PHE 132 -1.645 -2.221 16.311 958 HB3 PHE 132 1HB PHE 132 -2.544 -2.353 14.806 959 HD1 PHE 132 1HD PHE 132 -0.785 -0.039 17.058 960 HD2 PHE 132 2HD PHE 132 -2.650 -0.550 13.268 961 HE1 PHE 132 1HE PHE 132 0.194 2.083 16.294 962 HE2 PHE 132 2HE PHE 132 -1.671 1.571 12.498 963 HZ PHE 132 HZ PHE 132 -0.248 2.891 14.010 964 H HIS 133 HN HIS 133 -5.208 -2.726 14.787 965 HA HIS 133 HA HIS 133 -5.356 -5.207 16.371 966 HB2 HIS 133 2HB HIS 133 -7.541 -3.905 14.727 967 HB3 HIS 133 1HB HIS 133 -7.635 -5.544 15.354 968 HD1 HIS 133 1HD HIS 133 -8.390 -5.838 17.742 969 HD2 HIS 133 2HD HIS 133 -7.642 -1.863 16.755 970 HE1 HIS 133 1HE HIS 133 -9.241 -4.488 19.685 971 HE2 HIS 133 2HE HIS 133 -8.981 -2.080 18.967 972 H ARG 134 HN ARG 134 -5.239 -7.109 15.238 973 HA ARG 134 HA ARG 134 -3.634 -6.947 12.897 974 HB2 ARG 134 2HB ARG 134 -3.214 -8.723 14.460 975 HB3 ARG 134 1HB ARG 134 -4.876 -9.285 14.342 976 HG2 ARG 134 2HG ARG 134 -3.555 -10.784 13.089 977 HG3 ARG 134 1HG ARG 134 -4.439 -9.791 11.940 978 HD2 ARG 134 2HD ARG 134 -2.327 -8.320 11.902 979 HD3 ARG 134 1HD ARG 134 -1.526 -9.711 12.643 980 HE ARG 134 HE ARG 134 -2.959 -9.867 10.062 981 HH11 ARG 134 1HH1 ARG 134 -0.154 -10.601 12.058 982 HH12 ARG 134 2HH1 ARG 134 0.581 -11.610 10.842 983 HH21 ARG 134 1HH2 ARG 134 -1.985 -11.186 8.496 984 HH22 ARG 134 2HH2 ARG 134 -0.456 -11.936 8.830 985 H GLU 135 HN GLU 135 -4.117 -7.256 10.828 986 HA GLU 135 HA GLU 135 -6.909 -7.857 10.117 987 HB2 GLU 135 2HB GLU 135 -6.326 -5.627 9.397 988 HB3 GLU 135 1HB GLU 135 -4.829 -6.207 8.694 989 HG2 GLU 135 2HG GLU 135 -6.395 -5.724 6.959 990 HG3 GLU 135 1HG GLU 135 -6.099 -7.458 7.021 991 H ASP 136 HN ASP 136 -7.233 -9.222 8.324 992 HA ASP 136 HA ASP 136 -5.008 -11.120 7.995 993 HB2 ASP 136 2HB ASP 136 -7.961 -11.515 8.185 994 HB3 ASP 136 1HB ASP 136 -7.012 -12.649 7.229 995 H ILE 137 HN ILE 137 -4.529 -11.983 6.041 996 HA ILE 137 HA ILE 137 -5.420 -10.473 3.706 997 HB ILE 137 HB ILE 137 -3.343 -12.668 3.891 998 HG12 ILE 137 2HG1 ILE 137 -2.691 -10.724 5.235 999 HG13 ILE 137 1HG1 ILE 137 -1.675 -10.864 3.808 1000 HG21 ILE 137 1HG2 ILE 137 -3.937 -10.680 1.703 1001 HG22 ILE 137 2HG2 ILE 137 -4.250 -12.414 1.652 1002 HG23 ILE 137 3HG2 ILE 137 -2.590 -11.818 1.713 1003 HD11 ILE 137 3HD1 ILE 137 -2.985 -9.104 2.717 1004 HD12 ILE 137 1HD1 ILE 137 -2.255 -8.558 4.227 1005 HD13 ILE 137 2HD1 ILE 137 -3.972 -8.957 4.172 1006 H VAL 138 HN VAL 138 -7.195 -11.182 2.708 1007 HA VAL 138 HA VAL 138 -7.585 -14.088 2.453 1008 HB VAL 138 HB VAL 138 -10.030 -12.438 2.569 1009 HG11 VAL 138 1HG1 VAL 138 -10.911 -14.417 3.715 1010 HG12 VAL 138 2HG1 VAL 138 -9.299 -15.133 3.692 1011 HG13 VAL 138 3HG1 VAL 138 -10.146 -14.819 2.177 1012 HG21 VAL 138 3HG2 VAL 138 -8.506 -13.109 5.088 1013 HG22 VAL 138 1HG2 VAL 138 -10.151 -12.473 5.020 1014 HG23 VAL 138 2HG2 VAL 138 -8.801 -11.490 4.454 1015 H ARG 139 HN ARG 139 -8.838 -14.694 0.598 1016 HA ARG 139 HA ARG 139 -8.436 -12.876 -1.629 1017 HB2 ARG 139 2HB ARG 139 -9.037 -15.800 -1.380 1018 HB3 ARG 139 1HB ARG 139 -9.357 -14.971 -2.894 1019 HG2 ARG 139 2HG ARG 139 -7.018 -14.292 -3.027 1020 HG3 ARG 139 1HG ARG 139 -6.697 -15.106 -1.495 1021 HD2 ARG 139 2HD ARG 139 -7.809 -16.533 -3.899 1022 HD3 ARG 139 1HD ARG 139 -6.078 -16.372 -3.601 1023 HE ARG 139 HE ARG 139 -7.516 -17.457 -1.368 1024 HH11 ARG 139 1HH1 ARG 139 -6.061 -18.268 -4.456 1025 HH12 ARG 139 2HH1 ARG 139 -5.677 -19.900 -3.979 1026 HH21 ARG 139 1HH2 ARG 139 -7.040 -19.598 -0.756 1027 HH22 ARG 139 2HH2 ARG 139 -6.240 -20.651 -1.886 1028 HA PRO 140 HA PRO 140 -12.590 -11.412 -1.333 1029 HB2 PRO 140 2HB PRO 140 -12.739 -10.288 -3.821 1030 HB3 PRO 140 1HB PRO 140 -11.920 -9.535 -2.451 1031 HG2 PRO 140 2HG PRO 140 -10.765 -11.104 -4.720 1032 HG3 PRO 140 1HG PRO 140 -10.160 -9.618 -3.962 1033 HD2 PRO 140 2HD PRO 140 -9.115 -12.039 -3.396 1034 HD3 PRO 140 1HD PRO 140 -9.235 -10.756 -2.175 1035 H ASP 141 HN ASP 141 -14.611 -11.429 -2.682 1036 HA ASP 141 HA ASP 141 -15.381 -14.037 -3.288 1037 HB2 ASP 141 2HB ASP 141 -16.628 -11.378 -3.990 1038 HB3 ASP 141 1HB ASP 141 -17.384 -12.914 -4.400 1039 HA PRO 142 HA PRO 142 -13.907 -14.772 -7.351 1040 HB2 PRO 142 2HB PRO 142 -15.721 -16.568 -8.240 1041 HB3 PRO 142 1HB PRO 142 -14.538 -16.951 -6.984 1042 HG2 PRO 142 2HG PRO 142 -17.424 -16.193 -6.702 1043 HG3 PRO 142 1HG PRO 142 -16.515 -17.468 -5.868 1044 HD2 PRO 142 2HD PRO 142 -17.052 -15.068 -4.735 1045 HD3 PRO 142 1HD PRO 142 -15.584 -15.994 -4.366 1046 H GLU 143 HN GLU 143 -15.301 -12.369 -7.284 1047 HA GLU 143 HA GLU 143 -16.037 -12.158 -10.028 1048 HB2 GLU 143 2HB GLU 143 -18.257 -11.168 -9.692 1049 HB3 GLU 143 1HB GLU 143 -18.199 -12.853 -9.197 1050 HG2 GLU 143 2HG GLU 143 -18.004 -12.182 -6.881 1051 HG3 GLU 143 1HG GLU 143 -18.038 -10.490 -7.366 1052 H ALA 144 HN ALA 144 -15.766 -10.715 -6.862 1053 HA ALA 144 HA ALA 144 -15.140 -8.670 -6.118 1054 HB1 ALA 144 1HB ALA 144 -13.434 -8.727 -8.604 1055 HB2 ALA 144 2HB ALA 144 -13.019 -9.444 -7.046 1056 HB3 ALA 144 3HB ALA 144 -13.188 -7.696 -7.194 1057 HA PRO 145 HA PRO 145 -18.150 -6.613 -8.979 1058 HB2 PRO 145 2HB PRO 145 -19.287 -5.572 -6.495 1059 HB3 PRO 145 1HB PRO 145 -20.073 -6.467 -7.795 1060 HG2 PRO 145 2HG PRO 145 -19.591 -7.559 -5.368 1061 HG3 PRO 145 1HG PRO 145 -19.601 -8.509 -6.863 1062 HD2 PRO 145 2HD PRO 145 -17.289 -7.529 -5.251 1063 HD3 PRO 145 1HD PRO 145 -17.479 -9.049 -6.151 1064 H LEU 146 HN LEU 146 -17.675 -4.749 -9.826 1065 HA LEU 146 HA LEU 146 -16.523 -2.643 -8.154 1066 HB2 LEU 146 2HB LEU 146 -15.387 -1.830 -10.176 1067 HB3 LEU 146 1HB LEU 146 -14.856 -3.427 -9.713 1068 HG LEU 146 HG LEU 146 -16.970 -3.131 -11.806 1069 HD11 LEU 146 1HD1 LEU 146 -14.004 -2.820 -12.241 1070 HD12 LEU 146 2HD1 LEU 146 -15.245 -1.600 -12.529 1071 HD13 LEU 146 3HD1 LEU 146 -15.198 -3.060 -13.517 1072 HD21 LEU 146 3HD2 LEU 146 -15.936 -5.186 -12.650 1073 HD22 LEU 146 1HD2 LEU 146 -16.445 -5.360 -10.970 1074 HD23 LEU 146 2HD2 LEU 146 -14.742 -5.114 -11.353 1075 H GLU 147 HN GLU 147 -16.725 -0.521 -9.862 1076 HA GLU 147 HA GLU 147 -19.563 -0.029 -9.777 1077 HB2 GLU 147 2HB GLU 147 -17.641 1.547 -9.040 1078 HB3 GLU 147 1HB GLU 147 -17.463 1.890 -10.755 1079 HG2 GLU 147 2HG GLU 147 -19.681 2.734 -10.879 1080 HG3 GLU 147 1HG GLU 147 -20.026 2.236 -9.226 1081 H HIS 148 HN HIS 148 -20.360 1.386 -11.765 1082 HA HIS 148 HA HIS 148 -20.122 -0.352 -14.072 1083 HB2 HIS 148 2HB HIS 148 -21.814 2.119 -13.629 1084 HB3 HIS 148 1HB HIS 148 -21.923 1.053 -15.025 1085 HD1 HIS 148 1HD HIS 148 -23.272 1.573 -11.699 1086 HD2 HIS 148 2HD HIS 148 -22.792 -1.657 -14.274 1087 HE1 HIS 148 1HE HIS 148 -24.824 -0.214 -10.843 1088 HE2 HIS 148 2HE HIS 148 -24.346 -2.229 -12.282 1089 H HIS 149 HN HIS 149 -20.500 1.374 -16.191 1090 HA HIS 149 HA HIS 149 -17.829 2.350 -16.570 1091 HB2 HIS 149 2HB HIS 149 -19.271 1.266 -18.360 1092 HB3 HIS 149 1HB HIS 149 -20.179 2.773 -18.421 1093 HD1 HIS 149 1HD HIS 149 -19.140 4.727 -19.700 1094 HD2 HIS 149 2HD HIS 149 -16.602 1.446 -19.346 1095 HE1 HIS 149 1HE HIS 149 -17.202 5.194 -21.233 1096 HE2 HIS 149 2HE HIS 149 -15.806 3.096 -21.173 1097 H HIS 150 HN HIS 150 -17.828 3.901 -14.850 1098 HA HIS 150 HA HIS 150 -19.482 6.275 -15.217 1099 HB2 HIS 150 2HB HIS 150 -19.201 5.219 -12.956 1100 HB3 HIS 150 1HB HIS 150 -17.502 5.670 -13.008 1101 HD1 HIS 150 1HD HIS 150 -20.910 7.355 -13.134 1102 HD2 HIS 150 2HD HIS 150 -16.994 8.126 -11.965 1103 HE1 HIS 150 1HE HIS 150 -20.963 9.615 -12.029 1104 HE2 HIS 150 2HE HIS 150 -18.616 9.978 -11.174 1105 H HIS 151 HN HIS 151 -16.532 5.154 -16.275 1106 HA HIS 151 HA HIS 151 -15.047 7.593 -16.168 1107 HB2 HIS 151 2HB HIS 151 -14.013 5.325 -16.516 1108 HB3 HIS 151 1HB HIS 151 -14.695 5.324 -18.140 1109 HD1 HIS 151 1HD HIS 151 -13.046 5.996 -19.842 1110 HD2 HIS 151 2HD HIS 151 -12.346 7.880 -16.201 1111 HE1 HIS 151 1HE HIS 151 -11.006 7.417 -20.196 1112 HE2 HIS 151 2HE HIS 151 -10.727 8.705 -18.046 1113 H HIS 152 HN HIS 152 -16.210 9.255 -16.899 1114 HA HIS 152 HA HIS 152 -17.213 10.717 -18.270 1115 HB2 HIS 152 2HB HIS 152 -15.293 10.338 -19.777 1116 HB3 HIS 152 1HB HIS 152 -16.167 9.014 -20.542 1117 HD1 HIS 152 1HD HIS 152 -17.101 12.632 -19.743 1118 HD2 HIS 152 2HD HIS 152 -17.179 9.893 -22.875 1119 HE1 HIS 152 1HE HIS 152 -18.149 13.843 -21.678 1120 HE2 HIS 152 2HE HIS 152 -18.362 12.114 -23.498 1121 H HIS 153 HN HIS 153 -19.176 10.070 -17.409 1122 HA HIS 153 HA HIS 153 -20.887 8.659 -19.346 1123 HB2 HIS 153 2HB HIS 153 -20.575 7.261 -17.346 1124 HB3 HIS 153 1HB HIS 153 -21.113 8.591 -16.325 1125 HD1 HIS 153 1HD HIS 153 -23.634 9.003 -16.140 1126 HD2 HIS 153 2HD HIS 153 -22.633 5.977 -18.812 1127 HE1 HIS 153 1HE HIS 153 -25.794 7.856 -16.704 1128 HE2 HIS 153 2HE HIS 153 -25.192 6.201 -18.503 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -9.797 -5.105 5.366 2 H2 MET 1 H2 MET 1 -9.596 -6.769 5.155 3 H3 MET 1 H3 MET 1 -10.805 -5.941 4.298 4 HA MET 1 HA MET 1 -9.216 -4.748 3.029 5 HB2 MET 1 2HB MET 1 -7.475 -4.427 4.658 6 HB3 MET 1 1HB MET 1 -7.208 -6.161 4.792 7 HG2 MET 1 2HG MET 1 -6.486 -6.164 2.408 8 HG3 MET 1 1HG MET 1 -6.598 -4.404 2.427 9 HE1 MET 1 2HE MET 1 -3.991 -6.298 1.732 10 HE2 MET 1 3HE MET 1 -2.724 -5.294 2.440 11 HE3 MET 1 1HE MET 1 -4.027 -4.548 1.515 12 H LYS 2 HN LYS 2 -9.714 -5.716 1.179 13 HA LYS 2 HA LYS 2 -9.163 -8.571 0.827 14 HB2 LYS 2 2HB LYS 2 -10.733 -6.545 -0.732 15 HB3 LYS 2 1HB LYS 2 -10.162 -7.999 -1.532 16 HG2 LYS 2 2HG LYS 2 -12.357 -8.456 -0.859 17 HG3 LYS 2 1HG LYS 2 -11.322 -9.309 0.284 18 HD2 LYS 2 2HD LYS 2 -11.610 -7.466 1.883 19 HD3 LYS 2 1HD LYS 2 -12.692 -6.662 0.742 20 HE2 LYS 2 2HE LYS 2 -14.160 -8.668 0.814 21 HE3 LYS 2 1HE LYS 2 -13.110 -9.343 2.059 22 HZ1 LYS 2 3HZ LYS 2 -14.758 -6.882 2.236 23 HZ2 LYS 2 1HZ LYS 2 -13.591 -7.317 3.393 24 HZ3 LYS 2 2HZ LYS 2 -14.942 -8.312 3.126 25 H THR 3 HN THR 3 -7.552 -9.344 -0.437 26 HA THR 3 HA THR 3 -6.363 -7.703 -2.470 27 HB THR 3 HB THR 3 -5.131 -6.974 -0.417 28 HG1 THR 3 1HG THR 3 -3.990 -6.742 -2.286 29 HG21 THR 3 3HG2 THR 3 -4.123 -9.819 -0.417 30 HG22 THR 3 1HG2 THR 3 -5.148 -9.080 0.813 31 HG23 THR 3 2HG2 THR 3 -3.497 -8.504 0.581 32 H THR 4 HN THR 4 -4.394 -9.030 -3.421 33 HA THR 4 HA THR 4 -5.222 -11.854 -3.502 34 HB THR 4 HB THR 4 -4.454 -11.721 -5.961 35 HG1 THR 4 1HG THR 4 -4.462 -9.698 -6.882 36 HG21 THR 4 3HG2 THR 4 -6.788 -12.045 -5.293 37 HG22 THR 4 1HG2 THR 4 -6.676 -10.988 -6.701 38 HG23 THR 4 2HG2 THR 4 -6.983 -10.303 -5.105 39 HA PRO 5 HA PRO 5 -1.096 -13.226 -2.803 40 HB2 PRO 5 2HB PRO 5 -0.800 -14.884 -5.052 41 HB3 PRO 5 1HB PRO 5 -1.421 -15.364 -3.472 42 HG2 PRO 5 2HG PRO 5 -2.902 -14.640 -5.949 43 HG3 PRO 5 1HG PRO 5 -3.316 -15.819 -4.692 44 HD2 PRO 5 2HD PRO 5 -4.565 -13.464 -4.856 45 HD3 PRO 5 1HD PRO 5 -4.192 -14.201 -3.285 46 H ASP 6 HN ASP 6 -1.893 -12.196 -6.083 47 HA ASP 6 HA ASP 6 0.632 -11.804 -7.138 48 HB2 ASP 6 2HB ASP 6 -1.693 -9.959 -7.594 49 HB3 ASP 6 1HB ASP 6 -0.402 -10.362 -8.703 50 H ILE 7 HN ILE 7 -1.418 -9.570 -5.311 51 HA ILE 7 HA ILE 7 0.382 -7.381 -5.402 52 HB ILE 7 HB ILE 7 -1.849 -7.945 -3.433 53 HG12 ILE 7 2HG1 ILE 7 -2.656 -7.891 -5.741 54 HG13 ILE 7 1HG1 ILE 7 -3.207 -6.468 -4.861 55 HG21 ILE 7 1HG2 ILE 7 -1.847 -5.510 -3.058 56 HG22 ILE 7 2HG2 ILE 7 -0.413 -5.374 -4.074 57 HG23 ILE 7 3HG2 ILE 7 -0.338 -6.275 -2.561 58 HD11 ILE 7 3HD1 ILE 7 -2.498 -5.930 -7.131 59 HD12 ILE 7 1HD1 ILE 7 -0.888 -6.556 -6.781 60 HD13 ILE 7 2HD1 ILE 7 -1.486 -5.132 -5.930 61 H LEU 8 HN LEU 8 -0.303 -9.862 -2.972 62 HA LEU 8 HA LEU 8 1.354 -8.893 -0.941 63 HB2 LEU 8 2HB LEU 8 0.577 -11.736 -1.595 64 HB3 LEU 8 1HB LEU 8 1.329 -11.230 -0.093 65 HG LEU 8 HG LEU 8 -1.376 -10.322 -1.081 66 HD11 LEU 8 1HD1 LEU 8 -0.638 -12.244 1.124 67 HD12 LEU 8 2HD1 LEU 8 -1.372 -12.673 -0.423 68 HD13 LEU 8 3HD1 LEU 8 -2.265 -11.686 0.735 69 HD21 LEU 8 3HD2 LEU 8 -1.605 -9.358 1.163 70 HD22 LEU 8 1HD2 LEU 8 -0.283 -8.619 0.260 71 HD23 LEU 8 2HD2 LEU 8 0.064 -9.805 1.519 72 H ASP 9 HN ASP 9 2.067 -11.109 -3.620 73 HA ASP 9 HA ASP 9 4.724 -11.657 -2.770 74 HB2 ASP 9 2HB ASP 9 3.298 -13.002 -4.425 75 HB3 ASP 9 1HB ASP 9 3.787 -11.811 -5.627 76 H GLN 10 HN GLN 10 3.322 -9.343 -5.054 77 HA GLN 10 HA GLN 10 5.669 -8.199 -6.016 78 HB2 GLN 10 2HB GLN 10 2.940 -7.004 -5.555 79 HB3 GLN 10 1HB GLN 10 4.240 -6.133 -6.357 80 HG2 GLN 10 2HG GLN 10 4.341 -7.881 -8.066 81 HG3 GLN 10 1HG GLN 10 3.020 -8.726 -7.268 82 HE21 GLN 10 1HE2 GLN 10 0.952 -7.893 -7.372 83 HE22 GLN 10 2HE2 GLN 10 0.498 -6.686 -8.524 84 H ILE 11 HN ILE 11 3.870 -7.515 -3.047 85 HA ILE 11 HA ILE 11 5.328 -5.272 -2.208 86 HB ILE 11 HB ILE 11 4.040 -7.405 -0.485 87 HG12 ILE 11 2HG1 ILE 11 2.981 -4.712 -1.379 88 HG13 ILE 11 1HG1 ILE 11 2.499 -6.261 -2.070 89 HG21 ILE 11 1HG2 ILE 11 3.999 -5.660 1.260 90 HG22 ILE 11 2HG2 ILE 11 4.948 -4.613 0.205 91 HG23 ILE 11 3HG2 ILE 11 5.639 -6.122 0.802 92 HD11 ILE 11 3HD1 ILE 11 2.060 -5.356 0.770 93 HD12 ILE 11 1HD1 ILE 11 1.607 -6.929 0.115 94 HD13 ILE 11 2HD1 ILE 11 0.842 -5.465 -0.501 95 H ARG 12 HN ARG 12 5.934 -8.734 -1.764 96 HA ARG 12 HA ARG 12 8.185 -8.449 -0.067 97 HB2 ARG 12 2HB ARG 12 7.580 -10.699 -1.998 98 HB3 ARG 12 1HB ARG 12 8.721 -10.760 -0.663 99 HG2 ARG 12 2HG ARG 12 6.737 -10.281 0.849 100 HG3 ARG 12 1HG ARG 12 5.728 -10.646 -0.553 101 HD2 ARG 12 2HD ARG 12 7.756 -12.478 0.722 102 HD3 ARG 12 1HD ARG 12 6.005 -12.616 0.846 103 HE ARG 12 HE ARG 12 6.426 -12.719 -1.817 104 HH11 ARG 12 1HH1 ARG 12 7.839 -14.452 0.878 105 HH12 ARG 12 2HH1 ARG 12 8.112 -15.907 -0.036 106 HH21 ARG 12 1HH2 ARG 12 6.741 -14.627 -3.015 107 HH22 ARG 12 2HH2 ARG 12 7.461 -16.022 -2.252 108 H VAL 13 HN VAL 13 7.906 -8.902 -3.581 109 HA VAL 13 HA VAL 13 10.692 -8.953 -4.061 110 HB VAL 13 HB VAL 13 8.486 -8.219 -5.993 111 HG11 VAL 13 1HG1 VAL 13 10.071 -8.918 -7.727 112 HG12 VAL 13 2HG1 VAL 13 11.299 -9.182 -6.491 113 HG13 VAL 13 3HG1 VAL 13 10.689 -7.556 -6.792 114 HG21 VAL 13 3HG2 VAL 13 8.111 -10.406 -4.970 115 HG22 VAL 13 1HG2 VAL 13 9.744 -10.899 -5.416 116 HG23 VAL 13 2HG2 VAL 13 8.551 -10.566 -6.671 117 H HIS 14 HN HIS 14 8.284 -6.349 -4.433 118 HA HIS 14 HA HIS 14 10.189 -4.418 -5.262 119 HB2 HIS 14 2HB HIS 14 7.374 -4.178 -4.236 120 HB3 HIS 14 1HB HIS 14 8.348 -2.756 -4.596 121 HD1 HIS 14 1HD HIS 14 9.175 -2.563 -7.158 122 HD2 HIS 14 2HD HIS 14 6.167 -5.333 -6.408 123 HE1 HIS 14 1HE HIS 14 8.165 -3.085 -9.397 124 HE2 HIS 14 2HE HIS 14 6.300 -4.709 -8.918 125 H GLY 15 HN GLY 15 9.111 -5.515 -2.141 126 HA2 GLY 15 2HA GLY 15 10.148 -3.380 -0.597 127 HA3 GLY 15 1HA GLY 15 9.842 -5.016 -0.023 128 H ALA 16 HN ALA 16 11.536 -6.555 -1.440 129 HA ALA 16 HA ALA 16 14.075 -5.998 -0.285 130 HB1 ALA 16 1HB ALA 16 13.296 -8.283 -0.658 131 HB2 ALA 16 2HB ALA 16 14.832 -7.997 -1.478 132 HB3 ALA 16 3HB ALA 16 13.329 -8.016 -2.401 133 H ASP 17 HN ASP 17 12.632 -5.482 -3.394 134 HA ASP 17 HA ASP 17 14.842 -4.819 -4.958 135 HB2 ASP 17 2HB ASP 17 12.570 -5.123 -5.824 136 HB3 ASP 17 1HB ASP 17 12.047 -3.677 -4.989 137 H ALA 18 HN ALA 18 12.962 -2.942 -2.704 138 HA ALA 18 HA ALA 18 14.123 -0.422 -3.269 139 HB1 ALA 18 1HB ALA 18 13.107 0.306 -1.164 140 HB2 ALA 18 2HB ALA 18 12.751 -1.376 -0.760 141 HB3 ALA 18 3HB ALA 18 11.976 -0.620 -2.152 142 H TYR 19 HN TYR 19 14.857 -2.930 -0.880 143 HA TYR 19 HA TYR 19 16.697 -1.485 0.659 144 HB2 TYR 19 2HB TYR 19 16.179 -4.395 0.222 145 HB3 TYR 19 1HB TYR 19 17.640 -3.916 1.080 146 HD1 TYR 19 2HD TYR 19 13.943 -3.394 1.112 147 HD2 TYR 19 1HD TYR 19 17.551 -3.527 3.366 148 HE1 TYR 19 2HE TYR 19 12.650 -3.145 3.187 149 HE2 TYR 19 1HE TYR 19 16.264 -3.271 5.445 150 HH TYR 19 HH TYR 19 13.059 -3.806 5.694 151 HA PRO 20 HA PRO 20 18.635 -1.867 1.785 152 HB2 PRO 20 2HB PRO 20 20.788 -0.304 2.083 153 HB3 PRO 20 1HB PRO 20 20.938 -2.042 1.792 154 HG2 PRO 20 2HG PRO 20 21.245 0.234 -0.123 155 HG3 PRO 20 1HG PRO 20 22.220 -1.237 0.032 156 HD2 PRO 20 2HD PRO 20 20.235 -0.881 -1.840 157 HD3 PRO 20 1HD PRO 20 20.786 -2.462 -1.256 158 H GLU 21 HN GLU 21 18.097 0.293 -0.720 159 HA GLU 21 HA GLU 21 17.931 2.697 0.871 160 HB2 GLU 21 2HB GLU 21 17.060 2.134 -1.975 161 HB3 GLU 21 1HB GLU 21 17.123 3.728 -1.225 162 HG2 GLU 21 2HG GLU 21 19.511 3.575 -0.975 163 HG3 GLU 21 1HG GLU 21 19.504 1.913 -1.553 164 H GLU 22 HN GLU 22 15.655 3.977 0.417 165 HA GLU 22 HA GLU 22 13.780 2.187 1.773 166 HB2 GLU 22 2HB GLU 22 12.656 4.139 2.618 167 HB3 GLU 22 1HB GLU 22 14.378 4.296 2.915 168 HG2 GLU 22 2HG GLU 22 13.104 5.570 0.528 169 HG3 GLU 22 1HG GLU 22 13.057 6.343 2.110 170 H GLY 23 HN GLY 23 11.778 1.739 1.083 171 HA2 GLY 23 2HA GLY 23 11.012 2.799 -1.564 172 HA3 GLY 23 1HA GLY 23 10.611 1.181 -0.999 173 H CYS 24 HN CYS 24 9.097 0.953 0.716 174 HA CYS 24 HA CYS 24 7.023 1.246 1.564 175 HB2 CYS 24 2HB CYS 24 6.768 3.225 3.027 176 HB3 CYS 24 1HB CYS 24 8.290 2.382 3.263 177 HG CYS 24 HG CYS 24 8.789 4.737 1.057 178 H GLY 25 HN GLY 25 5.313 3.411 1.916 179 HA2 GLY 25 2HA GLY 25 4.668 5.280 0.258 180 HA3 GLY 25 1HA GLY 25 4.596 3.950 -0.887 181 H PHE 26 HN PHE 26 2.404 4.227 -1.301 182 HA PHE 26 HA PHE 26 0.586 3.761 0.968 183 HB2 PHE 26 2HB PHE 26 0.155 5.557 -1.429 184 HB3 PHE 26 1HB PHE 26 -1.075 5.182 -0.229 185 HD1 PHE 26 1HD PHE 26 2.007 7.026 -0.910 186 HD2 PHE 26 2HD PHE 26 -0.984 6.136 1.984 187 HE1 PHE 26 1HE PHE 26 2.778 8.915 0.465 188 HE2 PHE 26 2HE PHE 26 -0.218 8.023 3.363 189 HZ PHE 26 HZ PHE 26 1.665 9.415 2.604 190 H LEU 27 HN LEU 27 -1.585 2.964 0.257 191 HA LEU 27 HA LEU 27 -1.244 0.930 -1.848 192 HB2 LEU 27 2HB LEU 27 -3.118 0.902 0.519 193 HB3 LEU 27 1HB LEU 27 -2.889 -0.392 -0.639 194 HG LEU 27 HG LEU 27 -0.764 0.595 1.265 195 HD11 LEU 27 1HD1 LEU 27 -2.529 -1.843 1.383 196 HD12 LEU 27 2HD1 LEU 27 -2.579 -0.458 2.475 197 HD13 LEU 27 3HD1 LEU 27 -1.167 -1.514 2.453 198 HD21 LEU 27 3HD2 LEU 27 0.142 -0.374 -0.786 199 HD22 LEU 27 1HD2 LEU 27 -0.857 -1.809 -0.556 200 HD23 LEU 27 2HD2 LEU 27 0.428 -1.436 0.594 201 H LEU 28 HN LEU 28 -2.594 0.958 -3.538 202 HA LEU 28 HA LEU 28 -4.905 2.790 -3.423 203 HB2 LEU 28 2HB LEU 28 -3.369 1.921 -5.876 204 HB3 LEU 28 1HB LEU 28 -4.640 3.124 -5.809 205 HG LEU 28 HG LEU 28 -1.916 3.382 -4.535 206 HD11 LEU 28 1HD1 LEU 28 -1.526 5.085 -6.251 207 HD12 LEU 28 2HD1 LEU 28 -3.089 4.708 -6.977 208 HD13 LEU 28 3HD1 LEU 28 -1.807 3.497 -6.962 209 HD21 LEU 28 3HD2 LEU 28 -2.573 5.699 -4.110 210 HD22 LEU 28 1HD2 LEU 28 -3.633 4.565 -3.275 211 HD23 LEU 28 2HD2 LEU 28 -4.182 5.361 -4.749 212 H GLY 29 HN GLY 29 -6.887 2.035 -4.239 213 HA2 GLY 29 2HA GLY 29 -7.185 -0.337 -5.717 214 HA3 GLY 29 1HA GLY 29 -7.351 -0.727 -4.014 215 H THR 30 HN THR 30 -9.473 -1.400 -4.621 216 HA THR 30 HA THR 30 -11.385 0.790 -5.056 217 HB THR 30 HB THR 30 -12.942 -1.203 -5.625 218 HG1 THR 30 1HG THR 30 -11.895 -3.083 -6.243 219 HG21 THR 30 3HG2 THR 30 -10.655 -0.475 -7.457 220 HG22 THR 30 1HG2 THR 30 -12.178 0.398 -7.293 221 HG23 THR 30 2HG2 THR 30 -12.166 -1.235 -7.959 222 H VAL 31 HN VAL 31 -13.385 0.705 -3.854 223 HA VAL 31 HA VAL 31 -13.125 -0.603 -1.257 224 HB VAL 31 HB VAL 31 -15.390 1.168 -2.191 225 HG11 VAL 31 1HG1 VAL 31 -15.740 1.498 0.220 226 HG12 VAL 31 2HG1 VAL 31 -14.445 0.349 0.550 227 HG13 VAL 31 3HG1 VAL 31 -15.916 -0.189 -0.259 228 HG21 VAL 31 3HG2 VAL 31 -14.271 3.010 -1.026 229 HG22 VAL 31 1HG2 VAL 31 -13.292 2.408 -2.363 230 HG23 VAL 31 2HG2 VAL 31 -12.885 1.969 -0.705 231 H THR 32 HN THR 32 -14.067 -2.485 -0.821 232 HA THR 32 HA THR 32 -15.319 -3.767 -3.109 233 HB THR 32 HB THR 32 -14.424 -5.032 -0.526 234 HG1 THR 32 1HG THR 32 -12.925 -3.833 -2.344 235 HG21 THR 32 3HG2 THR 32 -15.899 -6.404 -1.908 236 HG22 THR 32 1HG2 THR 32 -14.261 -7.055 -1.888 237 HG23 THR 32 2HG2 THR 32 -14.836 -6.158 -3.294 238 H ASP 33 HN ASP 33 -15.913 -3.301 0.299 239 HA ASP 33 HA ASP 33 -18.574 -4.501 0.032 240 HB2 ASP 33 2HB ASP 33 -16.917 -3.800 2.456 241 HB3 ASP 33 1HB ASP 33 -18.528 -4.491 2.509 242 H ASP 34 HN ASP 34 -17.367 -1.602 -0.375 243 HA ASP 34 HA ASP 34 -17.915 0.585 -0.050 244 HB2 ASP 34 2HB ASP 34 -20.121 -0.182 -0.923 245 HB3 ASP 34 1HB ASP 34 -20.639 -0.498 0.728 246 H GLY 35 HN GLY 35 -16.835 -1.095 1.948 247 HA2 GLY 35 2HA GLY 35 -16.985 0.629 4.229 248 HA3 GLY 35 1HA GLY 35 -17.706 -0.951 4.522 249 H ASP 36 HN ASP 36 -15.920 -2.382 2.763 250 HA ASP 36 HA ASP 36 -13.400 -2.128 4.250 251 HB2 ASP 36 2HB ASP 36 -14.638 -4.295 4.529 252 HB3 ASP 36 1HB ASP 36 -14.404 -4.594 2.814 253 H ASN 37 HN ASN 37 -11.448 -2.599 3.028 254 HA ASN 37 HA ASN 37 -11.733 -1.409 0.350 255 HB2 ASN 37 2HB ASN 37 -9.452 -0.468 0.725 256 HB3 ASN 37 1HB ASN 37 -10.661 0.134 1.848 257 HD21 ASN 37 1HD2 ASN 37 -9.238 0.717 3.427 258 HD22 ASN 37 2HD2 ASN 37 -8.302 -0.420 4.340 259 H ARG 38 HN ARG 38 -10.425 -2.087 -1.339 260 HA ARG 38 HA ARG 38 -8.904 -4.569 -0.879 261 HB2 ARG 38 2HB ARG 38 -10.801 -4.959 -2.383 262 HB3 ARG 38 1HB ARG 38 -10.265 -3.643 -3.422 263 HG2 ARG 38 2HG ARG 38 -8.160 -4.886 -3.829 264 HG3 ARG 38 1HG ARG 38 -8.820 -6.229 -2.898 265 HD2 ARG 38 2HD ARG 38 -10.659 -6.430 -4.498 266 HD3 ARG 38 1HD ARG 38 -9.995 -5.083 -5.429 267 HE ARG 38 HE ARG 38 -8.040 -7.097 -5.088 268 HH11 ARG 38 1HH1 ARG 38 -10.961 -6.402 -6.893 269 HH12 ARG 38 2HH1 ARG 38 -10.525 -7.443 -8.220 270 HH21 ARG 38 1HH2 ARG 38 -7.486 -8.473 -6.833 271 HH22 ARG 38 2HH2 ARG 38 -8.573 -8.628 -8.175 272 H VAL 39 HN VAL 39 -6.797 -4.596 -1.479 273 HA VAL 39 HA VAL 39 -5.711 -2.145 -2.675 274 HB VAL 39 HB VAL 39 -4.230 -4.478 -1.427 275 HG11 VAL 39 1HG1 VAL 39 -3.234 -1.762 -2.299 276 HG12 VAL 39 2HG1 VAL 39 -2.906 -3.292 -3.110 277 HG13 VAL 39 3HG1 VAL 39 -2.278 -3.003 -1.488 278 HG21 VAL 39 3HG2 VAL 39 -4.839 -1.736 -0.318 279 HG22 VAL 39 1HG2 VAL 39 -3.830 -2.958 0.458 280 HG23 VAL 39 2HG2 VAL 39 -5.551 -3.257 0.220 281 H ALA 40 HN ALA 40 -5.487 -2.132 -4.795 282 HA ALA 40 HA ALA 40 -4.959 -4.683 -6.177 283 HB1 ALA 40 1HB ALA 40 -6.312 -3.904 -8.040 284 HB2 ALA 40 2HB ALA 40 -6.627 -2.386 -7.198 285 HB3 ALA 40 3HB ALA 40 -7.256 -3.901 -6.551 286 H ALA 41 HN ALA 41 -3.855 -1.584 -5.516 287 HA ALA 41 HA ALA 41 -1.778 -1.866 -7.547 288 HB1 ALA 41 1HB ALA 41 -3.376 0.666 -7.160 289 HB2 ALA 41 2HB ALA 41 -3.402 -0.381 -8.580 290 HB3 ALA 41 3HB ALA 41 -1.935 0.510 -8.167 291 H LEU 42 HN LEU 42 0.196 -1.051 -6.919 292 HA LEU 42 HA LEU 42 0.348 -0.224 -4.103 293 HB2 LEU 42 2HB LEU 42 2.447 -1.552 -5.827 294 HB3 LEU 42 1HB LEU 42 2.654 -1.092 -4.148 295 HG LEU 42 HG LEU 42 0.700 -3.164 -5.151 296 HD11 LEU 42 1HD1 LEU 42 2.197 -4.776 -4.093 297 HD12 LEU 42 2HD1 LEU 42 3.318 -3.475 -3.687 298 HD13 LEU 42 3HD1 LEU 42 3.020 -3.886 -5.376 299 HD21 LEU 42 3HD2 LEU 42 1.469 -2.377 -2.342 300 HD22 LEU 42 1HD2 LEU 42 0.374 -3.685 -2.795 301 HD23 LEU 42 2HD2 LEU 42 -0.065 -2.010 -3.131 302 H HIS 43 HN HIS 43 1.450 1.610 -3.540 303 HA HIS 43 HA HIS 43 2.792 3.059 -5.727 304 HB2 HIS 43 2HB HIS 43 0.895 4.374 -5.102 305 HB3 HIS 43 1HB HIS 43 1.208 4.136 -3.387 306 HD1 HIS 43 1HD HIS 43 2.967 5.785 -6.357 307 HD2 HIS 43 2HD HIS 43 2.482 6.238 -2.250 308 HE1 HIS 43 1HE HIS 43 4.164 7.920 -5.759 309 HE2 HIS 43 2HE HIS 43 3.922 8.146 -3.252 310 H ARG 44 HN ARG 44 4.896 3.060 -5.496 311 HA ARG 44 HA ARG 44 6.107 2.800 -2.860 312 HB2 ARG 44 2HB ARG 44 7.495 3.105 -5.535 313 HB3 ARG 44 1HB ARG 44 8.201 2.530 -4.031 314 HG2 ARG 44 2HG ARG 44 6.857 0.524 -4.119 315 HG3 ARG 44 1HG ARG 44 6.031 1.112 -5.562 316 HD2 ARG 44 2HD ARG 44 7.618 -0.354 -6.412 317 HD3 ARG 44 1HD ARG 44 8.371 1.226 -6.607 318 HE ARG 44 HE ARG 44 9.038 -0.238 -4.184 319 HH11 ARG 44 1HH1 ARG 44 9.966 0.788 -7.403 320 HH12 ARG 44 2HH1 ARG 44 11.630 0.297 -7.216 321 HH21 ARG 44 1HH2 ARG 44 11.231 -0.919 -3.956 322 HH22 ARG 44 2HH2 ARG 44 12.330 -0.706 -5.284 323 H ALA 45 HN ALA 45 7.167 4.480 -1.842 324 HA ALA 45 HA ALA 45 6.269 7.063 -2.276 325 HB1 ALA 45 1HB ALA 45 8.832 6.249 -0.913 326 HB2 ALA 45 2HB ALA 45 7.236 6.309 -0.164 327 HB3 ALA 45 3HB ALA 45 8.001 7.793 -0.730 328 H THR 46 HN THR 46 9.182 5.503 -3.484 329 HA THR 46 HA THR 46 10.424 7.821 -4.483 330 HB THR 46 HB THR 46 10.903 5.108 -5.661 331 HG1 THR 46 1HG THR 46 12.161 5.812 -3.242 332 HG21 THR 46 3HG2 THR 46 12.742 7.353 -4.816 333 HG22 THR 46 1HG2 THR 46 12.244 6.992 -6.468 334 HG23 THR 46 2HG2 THR 46 13.244 5.845 -5.578 335 H ASN 47 HN ASN 47 7.636 6.401 -5.550 336 HA ASN 47 HA ASN 47 8.121 6.858 -8.388 337 HB2 ASN 47 2HB ASN 47 5.644 5.888 -6.951 338 HB3 ASN 47 1HB ASN 47 5.745 6.130 -8.689 339 HD21 ASN 47 1HD2 ASN 47 5.062 3.727 -7.513 340 HD22 ASN 47 2HD2 ASN 47 6.291 2.560 -7.868 341 H ARG 48 HN ARG 48 8.414 9.086 -8.463 342 HA ARG 48 HA ARG 48 6.046 10.706 -7.833 343 HB2 ARG 48 2HB ARG 48 8.946 11.398 -8.188 344 HB3 ARG 48 1HB ARG 48 7.713 12.628 -8.412 345 HG2 ARG 48 2HG ARG 48 8.360 12.907 -6.213 346 HG3 ARG 48 1HG ARG 48 6.893 11.940 -6.080 347 HD2 ARG 48 2HD ARG 48 8.383 9.908 -5.970 348 HD3 ARG 48 1HD ARG 48 9.747 11.016 -5.823 349 HE ARG 48 HE ARG 48 7.539 11.236 -3.910 350 HH11 ARG 48 1HH1 ARG 48 10.879 10.387 -4.564 351 HH12 ARG 48 2HH1 ARG 48 11.291 10.221 -2.880 352 HH21 ARG 48 1HH2 ARG 48 8.047 10.998 -1.731 353 HH22 ARG 48 2HH2 ARG 48 9.676 10.600 -1.252 354 H ARG 49 HN ARG 49 5.498 12.399 -9.423 355 HA ARG 49 HA ARG 49 5.062 13.226 -11.491 356 HB2 ARG 49 2HB ARG 49 7.535 12.910 -11.871 357 HB3 ARG 49 1HB ARG 49 7.159 11.346 -12.579 358 HG2 ARG 49 2HG ARG 49 5.729 12.525 -14.245 359 HG3 ARG 49 1HG ARG 49 6.332 14.053 -13.595 360 HD2 ARG 49 2HD ARG 49 8.659 13.155 -14.027 361 HD3 ARG 49 1HD ARG 49 7.886 11.862 -14.942 362 HE ARG 49 HE ARG 49 7.468 14.690 -15.643 363 HH11 ARG 49 1HH1 ARG 49 8.339 11.409 -16.521 364 HH12 ARG 49 2HH1 ARG 49 8.584 11.793 -18.200 365 HH21 ARG 49 1HH2 ARG 49 7.802 15.197 -17.826 366 HH22 ARG 49 2HH2 ARG 49 8.324 13.965 -18.936 367 H SER 50 HN SER 50 3.097 12.658 -12.082 368 HA SER 50 HA SER 50 2.730 10.112 -13.479 369 HB2 SER 50 2HB SER 50 1.915 9.840 -11.136 370 HB3 SER 50 1HB SER 50 0.807 11.188 -11.391 371 HG SER 50 HG SER 50 0.315 8.694 -11.871 372 H GLU 51 HN GLU 51 1.067 10.181 -15.081 373 HA GLU 51 HA GLU 51 0.626 12.856 -16.094 374 HB2 GLU 51 2HB GLU 51 -0.180 10.208 -17.303 375 HB3 GLU 51 1HB GLU 51 -0.227 11.773 -18.105 376 HG2 GLU 51 2HG GLU 51 2.289 11.875 -17.638 377 HG3 GLU 51 1HG GLU 51 2.158 10.150 -17.299 378 H GLN 52 HN GLN 52 -0.763 13.666 -14.597 379 HA GLN 52 HA GLN 52 -3.313 12.466 -14.043 380 HB2 GLN 52 2HB GLN 52 -2.222 13.746 -12.323 381 HB3 GLN 52 1HB GLN 52 -2.073 15.139 -13.381 382 HG2 GLN 52 2HG GLN 52 -4.510 15.397 -13.358 383 HG3 GLN 52 1HG GLN 52 -4.633 14.018 -12.262 384 HE21 GLN 52 1HE2 GLN 52 -3.518 17.305 -12.613 385 HE22 GLN 52 2HE2 GLN 52 -3.354 17.646 -10.928 386 H ARG 53 HN ARG 53 -5.030 12.600 -15.332 387 HA ARG 53 HA ARG 53 -5.010 14.003 -17.777 388 HB2 ARG 53 2HB ARG 53 -6.540 12.013 -16.670 389 HB3 ARG 53 1HB ARG 53 -7.665 13.365 -16.701 390 HG2 ARG 53 2HG ARG 53 -8.022 12.271 -18.722 391 HG3 ARG 53 1HG ARG 53 -6.985 13.635 -19.151 392 HD2 ARG 53 2HD ARG 53 -6.270 11.526 -20.219 393 HD3 ARG 53 1HD ARG 53 -5.038 12.201 -19.151 394 HE ARG 53 HE ARG 53 -5.642 10.527 -17.504 395 HH11 ARG 53 1HH1 ARG 53 -6.843 10.016 -20.750 396 HH12 ARG 53 2HH1 ARG 53 -7.112 8.318 -20.520 397 HH21 ARG 53 1HH2 ARG 53 -5.990 8.327 -17.191 398 HH22 ARG 53 2HH2 ARG 53 -6.626 7.350 -18.479 399 H THR 54 HN THR 54 -7.036 14.521 -14.910 400 HA THR 54 HA THR 54 -7.762 17.172 -15.868 401 HB THR 54 HB THR 54 -8.653 15.927 -13.274 402 HG1 THR 54 1HG THR 54 -9.038 14.383 -14.918 403 HG21 THR 54 3HG2 THR 54 -10.681 17.240 -13.697 404 HG22 THR 54 1HG2 THR 54 -9.994 17.810 -15.219 405 HG23 THR 54 2HG2 THR 54 -9.249 18.270 -13.689 406 H ARG 55 HN ARG 55 -6.170 18.641 -15.499 407 HA ARG 55 HA ARG 55 -4.401 18.431 -13.259 408 HB2 ARG 55 2HB ARG 55 -4.758 20.557 -15.370 409 HB3 ARG 55 1HB ARG 55 -3.554 20.668 -14.094 410 HG2 ARG 55 2HG ARG 55 -2.453 18.684 -14.884 411 HG3 ARG 55 1HG ARG 55 -3.725 18.408 -16.074 412 HD2 ARG 55 2HD ARG 55 -1.720 19.391 -17.091 413 HD3 ARG 55 1HD ARG 55 -3.116 20.455 -17.235 414 HE ARG 55 HE ARG 55 -2.085 21.579 -15.158 415 HH11 ARG 55 1HH1 ARG 55 -0.229 20.075 -17.732 416 HH12 ARG 55 2HH1 ARG 55 1.119 21.166 -17.566 417 HH21 ARG 55 1HH2 ARG 55 -0.323 22.994 -14.942 418 HH22 ARG 55 2HH2 ARG 55 1.070 22.813 -15.961 419 H ARG 56 HN ARG 56 -5.989 18.427 -11.580 420 HA ARG 56 HA ARG 56 -7.491 20.808 -11.013 421 HB2 ARG 56 2HB ARG 56 -6.851 18.417 -9.269 422 HB3 ARG 56 1HB ARG 56 -8.010 19.675 -8.872 423 HG2 ARG 56 2HG ARG 56 -8.266 18.003 -11.352 424 HG3 ARG 56 1HG ARG 56 -8.922 17.493 -9.797 425 HD2 ARG 56 2HD ARG 56 -10.665 18.552 -11.053 426 HD3 ARG 56 1HD ARG 56 -10.221 19.606 -9.714 427 HE ARG 56 HE ARG 56 -9.054 20.100 -12.362 428 HH11 ARG 56 1HH1 ARG 56 -11.180 21.090 -9.755 429 HH12 ARG 56 2HH1 ARG 56 -11.407 22.697 -10.394 430 HH21 ARG 56 1HH2 ARG 56 -9.346 22.204 -13.187 431 HH22 ARG 56 2HH2 ARG 56 -10.376 23.326 -12.349 432 H TYR 57 HN TYR 57 -4.575 19.279 -9.723 433 HA TYR 57 HA TYR 57 -3.792 21.870 -8.583 434 HB2 TYR 57 2HB TYR 57 -3.361 19.158 -7.300 435 HB3 TYR 57 1HB TYR 57 -2.785 20.699 -6.666 436 HD1 TYR 57 2HD TYR 57 -4.447 22.399 -5.885 437 HD2 TYR 57 1HD TYR 57 -5.597 18.440 -6.931 438 HE1 TYR 57 2HE TYR 57 -6.587 22.719 -4.718 439 HE2 TYR 57 1HE TYR 57 -7.742 18.750 -5.770 440 HH TYR 57 HH TYR 57 -8.749 20.110 -4.078 441 H GLU 58 HN GLU 58 -1.455 22.160 -8.410 442 HA GLU 58 HA GLU 58 -0.280 21.129 -10.866 443 HB2 GLU 58 2HB GLU 58 0.773 23.257 -9.003 444 HB3 GLU 58 1HB GLU 58 1.317 22.932 -10.643 445 HG2 GLU 58 2HG GLU 58 -0.902 23.574 -11.483 446 HG3 GLU 58 1HG GLU 58 -1.394 23.960 -9.834 447 H LEU 59 HN LEU 59 -0.363 19.722 -8.085 448 HA LEU 59 HA LEU 59 2.496 19.392 -7.639 449 HB2 LEU 59 2HB LEU 59 0.077 18.541 -6.069 450 HB3 LEU 59 1HB LEU 59 1.676 17.928 -5.703 451 HG LEU 59 HG LEU 59 1.239 19.695 -4.184 452 HD11 LEU 59 1HD1 LEU 59 3.029 20.743 -6.362 453 HD12 LEU 59 2HD1 LEU 59 3.497 19.647 -5.063 454 HD13 LEU 59 3HD1 LEU 59 2.998 21.296 -4.687 455 HD21 LEU 59 3HD2 LEU 59 -0.585 20.800 -5.322 456 HD22 LEU 59 1HD2 LEU 59 0.516 21.402 -6.561 457 HD23 LEU 59 2HD2 LEU 59 0.660 21.974 -4.900 458 H THR 60 HN THR 60 3.307 18.103 -9.175 459 HA THR 60 HA THR 60 2.162 15.396 -9.384 460 HB THR 60 HB THR 60 3.494 15.253 -11.538 461 HG1 THR 60 1HG THR 60 4.883 16.956 -11.441 462 HG21 THR 60 3HG2 THR 60 1.286 17.308 -11.386 463 HG22 THR 60 1HG2 THR 60 1.073 15.565 -11.533 464 HG23 THR 60 2HG2 THR 60 1.812 16.475 -12.849 465 H ALA 61 HN ALA 61 4.954 17.349 -8.705 466 HA ALA 61 HA ALA 61 6.820 15.184 -8.506 467 HB1 ALA 61 1HB ALA 61 6.969 17.955 -7.303 468 HB2 ALA 61 2HB ALA 61 7.555 17.496 -8.901 469 HB3 ALA 61 3HB ALA 61 8.305 16.814 -7.461 470 H ASP 62 HN ASP 62 4.394 16.531 -6.503 471 HA ASP 62 HA ASP 62 5.279 15.327 -4.044 472 HB2 ASP 62 2HB ASP 62 3.798 17.328 -4.124 473 HB3 ASP 62 1HB ASP 62 2.541 16.344 -4.862 474 H ASP 63 HN ASP 63 5.221 13.140 -3.740 475 HA ASP 63 HA ASP 63 3.962 11.551 -5.762 476 HB2 ASP 63 2HB ASP 63 5.053 9.671 -4.852 477 HB3 ASP 63 1HB ASP 63 6.181 11.007 -4.682 478 H TYR 64 HN TYR 64 3.000 12.630 -2.628 479 HA TYR 64 HA TYR 64 0.997 10.644 -2.206 480 HB2 TYR 64 2HB TYR 64 1.744 12.145 -0.384 481 HB3 TYR 64 1HB TYR 64 1.063 13.523 -1.247 482 HD1 TYR 64 2HD TYR 64 0.273 10.473 0.649 483 HD2 TYR 64 1HD TYR 64 -1.326 13.932 -1.244 484 HE1 TYR 64 2HE TYR 64 -1.890 10.066 1.742 485 HE2 TYR 64 1HE TYR 64 -3.495 13.533 -0.155 486 HH TYR 64 HH TYR 64 -3.897 11.482 2.431 487 H ARG 65 HN ARG 65 0.988 13.902 -3.595 488 HA ARG 65 HA ARG 65 -1.646 13.867 -4.580 489 HB2 ARG 65 2HB ARG 65 0.752 15.497 -4.933 490 HB3 ARG 65 1HB ARG 65 -0.275 15.443 -6.362 491 HG2 ARG 65 2HG ARG 65 -1.682 15.873 -3.824 492 HG3 ARG 65 1HG ARG 65 -0.596 17.168 -4.320 493 HD2 ARG 65 2HD ARG 65 -3.005 17.337 -5.112 494 HD3 ARG 65 1HD ARG 65 -1.755 17.513 -6.342 495 HE ARG 65 HE ARG 65 -2.279 15.325 -7.129 496 HH11 ARG 65 1HH1 ARG 65 -4.488 16.506 -4.665 497 HH12 ARG 65 2HH1 ARG 65 -5.765 15.407 -5.122 498 HH21 ARG 65 1HH2 ARG 65 -3.943 13.883 -7.701 499 HH22 ARG 65 2HH2 ARG 65 -5.422 13.858 -6.785 500 H ALA 66 HN ALA 66 1.391 12.727 -5.943 501 HA ALA 66 HA ALA 66 0.370 12.089 -8.511 502 HB1 ALA 66 1HB ALA 66 2.417 10.794 -8.801 503 HB2 ALA 66 2HB ALA 66 2.748 10.920 -7.072 504 HB3 ALA 66 3HB ALA 66 2.762 12.366 -8.079 505 H ALA 67 HN ALA 67 0.525 10.342 -5.470 506 HA ALA 67 HA ALA 67 -0.230 7.808 -6.512 507 HB1 ALA 67 1HB ALA 67 0.842 8.078 -4.317 508 HB2 ALA 67 2HB ALA 67 -0.680 7.193 -4.206 509 HB3 ALA 67 3HB ALA 67 -0.608 8.888 -3.721 510 H ASP 68 HN ASP 68 -1.985 10.529 -5.139 511 HA ASP 68 HA ASP 68 -4.567 9.371 -5.239 512 HB2 ASP 68 2HB ASP 68 -4.020 11.379 -3.899 513 HB3 ASP 68 1HB ASP 68 -3.776 12.292 -5.382 514 H ALA 69 HN ALA 69 -2.732 11.404 -7.464 515 HA ALA 69 HA ALA 69 -4.678 11.671 -9.462 516 HB1 ALA 69 1HB ALA 69 -1.683 11.590 -9.810 517 HB2 ALA 69 2HB ALA 69 -2.624 13.015 -9.367 518 HB3 ALA 69 3HB ALA 69 -2.852 12.265 -10.946 519 H ALA 70 HN ALA 70 -1.985 9.327 -9.240 520 HA ALA 70 HA ALA 70 -2.636 7.891 -11.567 521 HB1 ALA 70 1HB ALA 70 -1.257 6.876 -9.081 522 HB2 ALA 70 2HB ALA 70 -0.472 7.715 -10.421 523 HB3 ALA 70 3HB ALA 70 -1.206 6.131 -10.680 524 H ALA 71 HN ALA 71 -3.731 7.535 -8.231 525 HA ALA 71 HA ALA 71 -5.205 5.158 -8.581 526 HB1 ALA 71 1HB ALA 71 -5.727 7.442 -6.671 527 HB2 ALA 71 2HB ALA 71 -4.668 6.063 -6.368 528 HB3 ALA 71 3HB ALA 71 -6.404 5.816 -6.554 529 H GLN 72 HN GLN 72 -6.179 8.574 -8.719 530 HA GLN 72 HA GLN 72 -8.864 8.172 -9.385 531 HB2 GLN 72 2HB GLN 72 -7.618 10.327 -8.685 532 HB3 GLN 72 1HB GLN 72 -7.254 10.504 -10.395 533 HG2 GLN 72 2HG GLN 72 -9.192 11.815 -9.779 534 HG3 GLN 72 1HG GLN 72 -9.643 10.528 -10.899 535 HE21 GLN 72 1HE2 GLN 72 -9.786 11.634 -7.594 536 HE22 GLN 72 2HE2 GLN 72 -11.052 10.572 -7.082 537 H GLU 73 HN GLU 73 -6.007 8.574 -11.429 538 HA GLU 73 HA GLU 73 -7.141 8.544 -13.937 539 HB2 GLU 73 2HB GLU 73 -4.540 7.481 -12.907 540 HB3 GLU 73 1HB GLU 73 -4.931 7.545 -14.615 541 HG2 GLU 73 2HG GLU 73 -4.866 9.896 -12.752 542 HG3 GLU 73 1HG GLU 73 -3.616 9.448 -13.893 543 H GLN 74 HN GLN 74 -6.315 5.849 -11.844 544 HA GLN 74 HA GLN 74 -7.120 3.887 -13.813 545 HB2 GLN 74 2HB GLN 74 -6.010 3.734 -11.028 546 HB3 GLN 74 1HB GLN 74 -6.590 2.304 -11.866 547 HG2 GLN 74 2HG GLN 74 -4.946 2.529 -13.566 548 HG3 GLN 74 1HG GLN 74 -4.484 4.129 -12.989 549 HE21 GLN 74 1HE2 GLN 74 -4.484 3.483 -10.220 550 HE22 GLN 74 2HE2 GLN 74 -3.124 2.471 -9.926 551 H GLY 75 HN GLY 75 -8.761 5.764 -11.590 552 HA2 GLY 75 2HA GLY 75 -11.036 5.675 -11.068 553 HA3 GLY 75 1HA GLY 75 -11.106 4.058 -11.752 554 H LEU 76 HN LEU 76 -8.718 4.945 -9.406 555 HA LEU 76 HA LEU 76 -10.076 3.295 -7.373 556 HB2 LEU 76 2HB LEU 76 -7.094 3.656 -7.685 557 HB3 LEU 76 1HB LEU 76 -7.926 2.513 -6.655 558 HG LEU 76 HG LEU 76 -7.861 2.413 -9.670 559 HD11 LEU 76 1HD1 LEU 76 -5.693 1.905 -8.690 560 HD12 LEU 76 2HD1 LEU 76 -6.439 0.449 -9.351 561 HD13 LEU 76 3HD1 LEU 76 -6.445 0.730 -7.610 562 HD21 LEU 76 3HD2 LEU 76 -8.985 0.470 -7.662 563 HD22 LEU 76 1HD2 LEU 76 -8.873 0.206 -9.400 564 HD23 LEU 76 2HD2 LEU 76 -9.918 1.478 -8.768 565 H ASP 77 HN ASP 77 -8.752 3.836 -5.151 566 HA ASP 77 HA ASP 77 -7.749 6.537 -5.072 567 HB2 ASP 77 2HB ASP 77 -9.152 7.212 -3.155 568 HB3 ASP 77 1HB ASP 77 -10.080 6.994 -4.629 569 H VAL 78 HN VAL 78 -7.179 6.992 -2.573 570 HA VAL 78 HA VAL 78 -5.248 4.930 -1.996 571 HB VAL 78 HB VAL 78 -5.804 7.435 -0.397 572 HG11 VAL 78 1HG1 VAL 78 -4.491 5.777 0.794 573 HG12 VAL 78 2HG1 VAL 78 -3.488 7.162 0.361 574 HG13 VAL 78 3HG1 VAL 78 -3.371 5.664 -0.563 575 HG21 VAL 78 3HG2 VAL 78 -3.909 7.028 -2.711 576 HG22 VAL 78 1HG2 VAL 78 -3.937 8.448 -1.664 577 HG23 VAL 78 2HG2 VAL 78 -5.328 8.075 -2.681 578 H VAL 79 HN VAL 79 -5.822 3.174 -0.890 579 HA VAL 79 HA VAL 79 -8.072 3.373 0.972 580 HB VAL 79 HB VAL 79 -8.163 0.903 0.859 581 HG11 VAL 79 1HG1 VAL 79 -9.532 2.248 -0.638 582 HG12 VAL 79 2HG1 VAL 79 -9.006 0.770 -1.444 583 HG13 VAL 79 3HG1 VAL 79 -8.217 2.305 -1.814 584 HG21 VAL 79 3HG2 VAL 79 -6.847 -0.289 -0.834 585 HG22 VAL 79 1HG2 VAL 79 -5.809 0.461 0.381 586 HG23 VAL 79 2HG2 VAL 79 -5.984 1.203 -1.207 587 H GLY 80 HN GLY 80 -4.638 2.840 0.924 588 HA2 GLY 80 2HA GLY 80 -4.568 2.811 3.791 589 HA3 GLY 80 1HA GLY 80 -4.197 1.239 3.105 590 H VAL 81 HN VAL 81 -2.214 1.783 4.386 591 HA VAL 81 HA VAL 81 -0.201 2.955 2.587 592 HB VAL 81 HB VAL 81 -0.057 3.359 5.571 593 HG11 VAL 81 1HG1 VAL 81 1.514 5.134 5.011 594 HG12 VAL 81 2HG1 VAL 81 1.282 4.799 3.294 595 HG13 VAL 81 3HG1 VAL 81 2.024 3.585 4.338 596 HG21 VAL 81 3HG2 VAL 81 -2.093 4.484 4.914 597 HG22 VAL 81 1HG2 VAL 81 -1.252 5.291 3.591 598 HG23 VAL 81 2HG2 VAL 81 -0.842 5.676 5.261 599 H TYR 82 HN TYR 82 1.990 2.074 3.090 600 HA TYR 82 HA TYR 82 1.959 -0.216 4.893 601 HB2 TYR 82 2HB TYR 82 2.872 -1.772 3.359 602 HB3 TYR 82 1HB TYR 82 1.493 -1.044 2.554 603 HD1 TYR 82 1HD TYR 82 1.917 0.694 0.759 604 HD2 TYR 82 2HD TYR 82 5.023 -1.695 2.421 605 HE1 TYR 82 1HE TYR 82 3.334 1.183 -1.193 606 HE2 TYR 82 2HE TYR 82 6.447 -1.207 0.481 607 HH TYR 82 HH TYR 82 5.787 1.245 -1.711 608 H HIS 83 HN HIS 83 3.805 -0.553 5.968 609 HA HIS 83 HA HIS 83 6.073 1.208 5.326 610 HB2 HIS 83 2HB HIS 83 4.550 2.038 7.225 611 HB3 HIS 83 1HB HIS 83 5.154 0.673 8.152 612 HD1 HIS 83 1HD HIS 83 6.454 1.992 9.895 613 HD2 HIS 83 2HD HIS 83 7.480 2.991 5.979 614 HE1 HIS 83 1HE HIS 83 8.481 3.468 10.068 615 HE2 HIS 83 2HE HIS 83 8.912 4.266 7.717 616 H SER 84 HN SER 84 8.079 0.305 5.644 617 HA SER 84 HA SER 84 8.036 -2.584 6.151 618 HB2 SER 84 2HB SER 84 10.200 -1.006 4.748 619 HB3 SER 84 1HB SER 84 9.934 -2.749 4.706 620 HG SER 84 HG SER 84 8.169 -2.458 3.434 621 H HIS 85 HN HIS 85 9.773 -3.548 7.325 622 HA HIS 85 HA HIS 85 11.408 -1.699 8.931 623 HB2 HIS 85 2HB HIS 85 9.988 -4.170 9.968 624 HB3 HIS 85 1HB HIS 85 11.158 -3.226 10.882 625 HD1 HIS 85 1HD HIS 85 7.604 -3.467 10.126 626 HD2 HIS 85 2HD HIS 85 10.201 -0.512 11.467 627 HE1 HIS 85 1HE HIS 85 6.142 -1.696 11.142 628 HE2 HIS 85 2HE HIS 85 7.733 0.016 12.082 629 HA PRO 86 HA PRO 86 14.598 -4.361 7.458 630 HB2 PRO 86 2HB PRO 86 16.440 -3.351 9.427 631 HB3 PRO 86 1HB PRO 86 16.325 -2.932 7.718 632 HG2 PRO 86 2HG PRO 86 15.729 -1.208 9.762 633 HG3 PRO 86 1HG PRO 86 15.051 -1.085 8.129 634 HD2 PRO 86 2HD PRO 86 13.827 -2.230 10.613 635 HD3 PRO 86 1HD PRO 86 13.076 -1.240 9.340 636 H ASP 87 HN ASP 87 13.532 -4.468 10.660 637 HA ASP 87 HA ASP 87 14.044 -7.223 10.980 638 HB2 ASP 87 2HB ASP 87 16.357 -6.493 11.363 639 HB3 ASP 87 1HB ASP 87 15.814 -5.381 12.616 640 H HIS 88 HN HIS 88 12.036 -7.506 11.729 641 HA HIS 88 HA HIS 88 11.433 -7.097 14.441 642 HB2 HIS 88 2HB HIS 88 10.740 -4.865 12.747 643 HB3 HIS 88 1HB HIS 88 9.275 -5.617 13.370 644 HD1 HIS 88 1HD HIS 88 12.586 -4.305 14.734 645 HD2 HIS 88 2HD HIS 88 8.629 -4.831 15.878 646 HE1 HIS 88 1HE HIS 88 12.383 -3.198 16.983 647 HE2 HIS 88 2HE HIS 88 9.976 -3.501 17.652 648 HA PRO 89 HA PRO 89 8.758 -10.371 13.167 649 HB2 PRO 89 2HB PRO 89 7.072 -10.023 15.513 650 HB3 PRO 89 1HB PRO 89 8.243 -11.296 15.164 651 HG2 PRO 89 2HG PRO 89 8.622 -9.432 17.100 652 HG3 PRO 89 1HG PRO 89 9.955 -10.194 16.214 653 HD2 PRO 89 2HD PRO 89 8.712 -7.497 15.818 654 HD3 PRO 89 1HD PRO 89 10.427 -7.971 15.775 655 H ALA 90 HN ALA 90 8.015 -8.403 11.651 656 HA ALA 90 HA ALA 90 6.365 -7.373 10.482 657 HB1 ALA 90 1HB ALA 90 5.987 -9.665 9.887 658 HB2 ALA 90 2HB ALA 90 4.439 -8.823 10.003 659 HB3 ALA 90 3HB ALA 90 4.956 -9.899 11.302 660 H ARG 91 HN ARG 91 6.436 -6.588 13.295 661 HA ARG 91 HA ARG 91 3.634 -5.752 13.579 662 HB2 ARG 91 2HB ARG 91 3.869 -5.808 15.984 663 HB3 ARG 91 1HB ARG 91 4.342 -7.372 15.337 664 HG2 ARG 91 2HG ARG 91 6.701 -6.739 15.552 665 HG3 ARG 91 1HG ARG 91 6.207 -5.188 16.232 666 HD2 ARG 91 2HD ARG 91 6.790 -6.649 18.037 667 HD3 ARG 91 1HD ARG 91 5.042 -6.427 18.048 668 HE ARG 91 HE ARG 91 5.487 -8.693 16.563 669 HH11 ARG 91 1HH1 ARG 91 6.127 -7.624 19.832 670 HH12 ARG 91 2HH1 ARG 91 6.099 -9.230 20.493 671 HH21 ARG 91 1HH2 ARG 91 5.455 -10.817 17.448 672 HH22 ARG 91 2HH2 ARG 91 5.720 -11.038 19.151 673 HA PRO 92 HA PRO 92 5.117 -1.591 13.566 674 HB2 PRO 92 2HB PRO 92 3.464 -0.367 15.329 675 HB3 PRO 92 1HB PRO 92 2.926 -0.913 13.736 676 HG2 PRO 92 2HG PRO 92 2.601 -2.235 16.402 677 HG3 PRO 92 1HG PRO 92 1.418 -2.049 15.094 678 HD2 PRO 92 2HD PRO 92 2.790 -4.347 15.506 679 HD3 PRO 92 1HD PRO 92 2.281 -3.812 13.893 680 H SER 93 HN SER 93 6.357 -0.080 14.691 681 HA SER 93 HA SER 93 7.279 -0.947 17.352 682 HB2 SER 93 2HB SER 93 8.695 0.930 15.444 683 HB3 SER 93 1HB SER 93 9.374 0.098 16.845 684 HG SER 93 HG SER 93 8.232 -1.536 14.933 685 H ALA 94 HN ALA 94 8.208 1.161 18.555 686 HA ALA 94 HA ALA 94 6.031 2.685 19.349 687 HB1 ALA 94 1HB ALA 94 8.063 2.449 20.685 688 HB2 ALA 94 2HB ALA 94 7.639 4.149 20.468 689 HB3 ALA 94 3HB ALA 94 8.946 3.436 19.522 690 H THR 95 HN THR 95 8.552 3.471 16.998 691 HA THR 95 HA THR 95 7.757 6.099 16.439 692 HB THR 95 HB THR 95 9.127 4.133 14.587 693 HG1 THR 95 1HG THR 95 10.031 5.785 16.712 694 HG21 THR 95 3HG2 THR 95 10.094 6.130 13.547 695 HG22 THR 95 1HG2 THR 95 9.152 7.156 14.625 696 HG23 THR 95 2HG2 THR 95 8.333 6.146 13.432 697 H ASP 96 HN ASP 96 6.706 3.006 15.036 698 HA ASP 96 HA ASP 96 5.240 4.081 12.882 699 HB2 ASP 96 2HB ASP 96 4.812 1.498 14.403 700 HB3 ASP 96 1HB ASP 96 3.986 1.915 12.909 701 H LEU 97 HN LEU 97 4.358 3.339 16.210 702 HA LEU 97 HA LEU 97 1.614 4.038 15.974 703 HB2 LEU 97 2HB LEU 97 2.613 2.617 17.770 704 HB3 LEU 97 1HB LEU 97 3.381 4.044 18.428 705 HG LEU 97 HG LEU 97 1.271 3.207 19.586 706 HD11 LEU 97 1HD1 LEU 97 1.329 6.070 18.659 707 HD12 LEU 97 2HD1 LEU 97 2.208 5.404 20.034 708 HD13 LEU 97 3HD1 LEU 97 0.444 5.449 20.052 709 HD21 LEU 97 3HD2 LEU 97 -0.009 4.446 17.157 710 HD22 LEU 97 1HD2 LEU 97 -0.858 3.960 18.626 711 HD23 LEU 97 2HD2 LEU 97 -0.064 2.745 17.622 712 H GLU 98 HN GLU 98 4.506 5.781 16.999 713 HA GLU 98 HA GLU 98 3.226 8.154 17.787 714 HB2 GLU 98 2HB GLU 98 6.035 7.497 16.976 715 HB3 GLU 98 1HB GLU 98 5.571 9.147 17.351 716 HG2 GLU 98 2HG GLU 98 4.784 8.369 19.566 717 HG3 GLU 98 1HG GLU 98 5.392 6.763 19.174 718 H GLU 99 HN GLU 99 4.337 7.049 14.644 719 HA GLU 99 HA GLU 99 3.822 9.648 13.450 720 HB2 GLU 99 2HB GLU 99 4.800 7.035 12.308 721 HB3 GLU 99 1HB GLU 99 4.475 8.451 11.318 722 HG2 GLU 99 2HG GLU 99 6.493 8.253 13.541 723 HG3 GLU 99 1HG GLU 99 6.832 8.274 11.811 724 H ALA 100 HN ALA 100 1.907 7.133 14.375 725 HA ALA 100 HA ALA 100 0.139 7.215 12.061 726 HB1 ALA 100 1HB ALA 100 0.531 5.058 13.160 727 HB2 ALA 100 2HB ALA 100 -1.170 5.518 13.207 728 HB3 ALA 100 3HB ALA 100 -0.170 5.694 14.648 729 H THR 101 HN THR 101 -0.297 9.490 12.291 730 HA THR 101 HA THR 101 -2.177 10.130 14.462 731 HB THR 101 HB THR 101 -0.710 12.077 12.680 732 HG1 THR 101 1HG THR 101 0.001 10.847 15.136 733 HG21 THR 101 3HG2 THR 101 -2.713 12.980 13.788 734 HG22 THR 101 1HG2 THR 101 -1.238 13.702 14.430 735 HG23 THR 101 2HG2 THR 101 -2.081 12.452 15.348 736 H PHE 102 HN PHE 102 -2.216 9.070 11.401 737 HA PHE 102 HA PHE 102 -4.613 10.616 10.706 738 HB2 PHE 102 2HB PHE 102 -4.045 10.120 8.295 739 HB3 PHE 102 1HB PHE 102 -2.964 11.237 9.115 740 HD1 PHE 102 1HD PHE 102 -0.751 10.314 9.993 741 HD2 PHE 102 2HD PHE 102 -3.219 8.227 7.224 742 HE1 PHE 102 1HE PHE 102 1.179 8.948 9.309 743 HE2 PHE 102 2HE PHE 102 -1.297 6.856 6.539 744 HZ PHE 102 HZ PHE 102 0.907 7.213 7.579 745 HA PRO 103 HA PRO 103 -6.057 6.303 11.163 746 HB2 PRO 103 2HB PRO 103 -8.463 6.941 12.220 747 HB3 PRO 103 1HB PRO 103 -6.998 6.835 13.199 748 HG2 PRO 103 2HG PRO 103 -8.390 9.246 12.121 749 HG3 PRO 103 1HG PRO 103 -7.620 9.007 13.700 750 HD2 PRO 103 2HD PRO 103 -6.456 10.347 11.608 751 HD3 PRO 103 1HD PRO 103 -5.542 9.537 12.895 752 H GLY 104 HN GLY 104 -7.738 5.186 10.037 753 HA2 GLY 104 2HA GLY 104 -9.776 5.417 8.643 754 HA3 GLY 104 1HA GLY 104 -8.980 6.792 7.890 755 H PHE 105 HN PHE 105 -6.386 5.324 7.993 756 HA PHE 105 HA PHE 105 -6.815 3.733 5.571 757 HB2 PHE 105 2HB PHE 105 -4.298 4.965 6.707 758 HB3 PHE 105 1HB PHE 105 -4.353 3.980 5.249 759 HD1 PHE 105 2HD PHE 105 -5.756 4.802 3.305 760 HD2 PHE 105 1HD PHE 105 -4.722 7.258 6.624 761 HE1 PHE 105 2HE PHE 105 -6.230 6.809 1.964 762 HE2 PHE 105 1HE PHE 105 -5.194 9.269 5.287 763 HZ PHE 105 HZ PHE 105 -5.946 9.045 2.952 764 H THR 106 HN THR 106 -5.794 1.714 5.309 765 HA THR 106 HA THR 106 -5.379 0.232 7.782 766 HB THR 106 HB THR 106 -5.283 -0.793 4.929 767 HG1 THR 106 1HG THR 106 -7.536 -1.250 6.513 768 HG21 THR 106 3HG2 THR 106 -5.794 -2.961 5.968 769 HG22 THR 106 1HG2 THR 106 -5.755 -2.206 7.562 770 HG23 THR 106 2HG2 THR 106 -4.285 -2.295 6.592 771 H TYR 107 HN TYR 107 -3.387 -0.569 8.426 772 HA TYR 107 HA TYR 107 -1.093 0.479 6.912 773 HB2 TYR 107 2HB TYR 107 -1.323 -0.276 9.828 774 HB3 TYR 107 1HB TYR 107 0.151 0.285 9.051 775 HD1 TYR 107 2HD TYR 107 0.276 2.632 8.205 776 HD2 TYR 107 1HD TYR 107 -2.995 1.253 10.551 777 HE1 TYR 107 2HE TYR 107 -0.329 4.960 8.721 778 HE2 TYR 107 1HE TYR 107 -3.611 3.576 11.066 779 HH TYR 107 HH TYR 107 -2.453 6.206 9.398 780 H VAL 108 HN VAL 108 -0.206 -1.036 5.658 781 HA VAL 108 HA VAL 108 -0.105 -3.810 6.605 782 HB VAL 108 HB VAL 108 0.618 -2.636 3.914 783 HG11 VAL 108 1HG1 VAL 108 1.958 -4.619 4.404 784 HG12 VAL 108 2HG1 VAL 108 0.770 -4.957 3.145 785 HG13 VAL 108 3HG1 VAL 108 0.492 -5.521 4.792 786 HG21 VAL 108 3HG2 VAL 108 -1.735 -4.303 4.782 787 HG22 VAL 108 1HG2 VAL 108 -1.378 -3.797 3.132 788 HG23 VAL 108 2HG2 VAL 108 -1.766 -2.589 4.356 789 H ILE 109 HN ILE 109 1.661 -4.667 7.429 790 HA ILE 109 HA ILE 109 4.167 -3.145 7.192 791 HB ILE 109 HB ILE 109 3.155 -4.822 9.488 792 HG12 ILE 109 2HG1 ILE 109 3.900 -1.903 9.278 793 HG13 ILE 109 1HG1 ILE 109 2.262 -2.538 9.349 794 HG21 ILE 109 1HG2 ILE 109 5.864 -3.549 9.129 795 HG22 ILE 109 2HG2 ILE 109 5.513 -5.277 9.219 796 HG23 ILE 109 3HG2 ILE 109 5.262 -4.250 10.631 797 HD11 ILE 109 3HD1 ILE 109 2.673 -3.366 11.602 798 HD12 ILE 109 1HD1 ILE 109 2.969 -1.632 11.487 799 HD13 ILE 109 2HD1 ILE 109 4.328 -2.756 11.526 800 H VAL 110 HN VAL 110 5.779 -4.104 6.218 801 HA VAL 110 HA VAL 110 5.708 -7.028 5.932 802 HB VAL 110 HB VAL 110 5.383 -6.008 3.772 803 HG11 VAL 110 1HG1 VAL 110 7.031 -4.490 2.777 804 HG12 VAL 110 2HG1 VAL 110 7.919 -4.468 4.300 805 HG13 VAL 110 3HG1 VAL 110 6.288 -3.804 4.221 806 HG21 VAL 110 3HG2 VAL 110 7.325 -6.880 2.539 807 HG22 VAL 110 1HG2 VAL 110 6.767 -8.001 3.784 808 HG23 VAL 110 2HG2 VAL 110 8.210 -7.024 4.057 809 H SER 111 HN SER 111 7.327 -8.132 6.763 810 HA SER 111 HA SER 111 9.590 -6.743 7.897 811 HB2 SER 111 2HB SER 111 8.543 -9.550 8.041 812 HB3 SER 111 1HB SER 111 10.144 -9.137 8.648 813 HG SER 111 HG SER 111 9.176 -8.466 10.364 814 H VAL 112 HN VAL 112 11.130 -6.222 6.436 815 HA VAL 112 HA VAL 112 12.209 -8.457 4.845 816 HB VAL 112 HB VAL 112 12.430 -5.511 4.183 817 HG11 VAL 112 1HG1 VAL 112 13.383 -6.260 2.075 818 HG12 VAL 112 2HG1 VAL 112 13.234 -7.940 2.584 819 HG13 VAL 112 3HG1 VAL 112 14.337 -6.856 3.432 820 HG21 VAL 112 3HG2 VAL 112 10.748 -7.629 2.847 821 HG22 VAL 112 1HG2 VAL 112 10.920 -5.953 2.329 822 HG23 VAL 112 2HG2 VAL 112 10.142 -6.324 3.868 823 H ARG 113 HN ARG 113 14.060 -9.151 5.709 824 HA ARG 113 HA ARG 113 15.444 -7.335 7.538 825 HB2 ARG 113 2HB ARG 113 15.759 -10.325 7.247 826 HB3 ARG 113 1HB ARG 113 16.478 -9.317 8.495 827 HG2 ARG 113 2HG ARG 113 14.128 -8.694 9.177 828 HG3 ARG 113 1HG ARG 113 13.574 -9.979 8.103 829 HD2 ARG 113 2HD ARG 113 15.098 -11.533 9.384 830 HD3 ARG 113 1HD ARG 113 15.308 -10.228 10.550 831 HE ARG 113 HE ARG 113 12.639 -11.318 9.919 832 HH11 ARG 113 1HH1 ARG 113 15.055 -10.322 12.270 833 HH12 ARG 113 2HH1 ARG 113 14.100 -10.835 13.630 834 HH21 ARG 113 1HH2 ARG 113 11.388 -11.934 11.690 835 HH22 ARG 113 2HH2 ARG 113 12.016 -11.734 13.307 836 H ASP 114 HN ASP 114 16.667 -6.110 6.279 837 HA ASP 114 HA ASP 114 18.516 -5.449 5.147 838 HB2 ASP 114 2HB ASP 114 19.550 -6.950 6.901 839 HB3 ASP 114 1HB ASP 114 19.584 -8.220 5.686 840 H GLY 115 HN GLY 115 16.309 -7.042 3.800 841 HA2 GLY 115 2HA GLY 115 16.322 -6.836 1.325 842 HA3 GLY 115 1HA GLY 115 17.844 -7.712 1.367 843 H ALA 116 HN ALA 116 16.352 -9.274 3.685 844 HA ALA 116 HA ALA 116 15.149 -11.210 1.834 845 HB1 ALA 116 1HB ALA 116 15.443 -12.853 3.631 846 HB2 ALA 116 2HB ALA 116 16.113 -11.590 4.666 847 HB3 ALA 116 3HB ALA 116 16.965 -12.073 3.199 848 HA PRO 117 HA PRO 117 11.266 -9.766 3.603 849 HB2 PRO 117 2HB PRO 117 9.670 -10.944 1.762 850 HB3 PRO 117 1HB PRO 117 10.531 -9.434 1.453 851 HG2 PRO 117 2HG PRO 117 11.207 -12.211 0.591 852 HG3 PRO 117 1HG PRO 117 11.355 -10.690 -0.305 853 HD2 PRO 117 2HD PRO 117 13.455 -11.950 0.926 854 HD3 PRO 117 1HD PRO 117 13.393 -10.204 0.619 855 H GLU 118 HN GLU 118 10.408 -10.722 5.305 856 HA GLU 118 HA GLU 118 10.431 -13.654 5.450 857 HB2 GLU 118 2HB GLU 118 11.709 -12.548 7.184 858 HB3 GLU 118 1HB GLU 118 10.330 -11.550 7.613 859 HG2 GLU 118 2HG GLU 118 9.117 -13.550 8.339 860 HG3 GLU 118 1HG GLU 118 10.520 -14.537 7.935 861 H ALA 119 HN ALA 119 8.440 -11.178 7.063 862 HA ALA 119 HA ALA 119 6.080 -12.787 6.369 863 HB1 ALA 119 1HB ALA 119 6.745 -13.277 8.657 864 HB2 ALA 119 2HB ALA 119 5.203 -12.420 8.623 865 HB3 ALA 119 3HB ALA 119 6.682 -11.560 9.056 866 H LEU 120 HN LEU 120 4.234 -11.733 5.940 867 HA LEU 120 HA LEU 120 4.271 -8.787 6.034 868 HB2 LEU 120 2HB LEU 120 2.980 -10.607 3.995 869 HB3 LEU 120 1HB LEU 120 2.649 -8.893 4.112 870 HG LEU 120 HG LEU 120 5.124 -8.513 3.683 871 HD11 LEU 120 1HD1 LEU 120 5.931 -10.749 4.200 872 HD12 LEU 120 2HD1 LEU 120 6.322 -10.312 2.537 873 HD13 LEU 120 3HD1 LEU 120 4.984 -11.411 2.869 874 HD21 LEU 120 3HD2 LEU 120 3.377 -8.152 2.017 875 HD22 LEU 120 1HD2 LEU 120 3.486 -9.844 1.535 876 HD23 LEU 120 2HD2 LEU 120 4.859 -8.764 1.279 877 H THR 121 HN THR 121 2.512 -7.802 6.974 878 HA THR 121 HA THR 121 0.084 -9.349 7.387 879 HB THR 121 HB THR 121 1.302 -8.012 9.796 880 HG1 THR 121 1HG THR 121 2.014 -10.414 8.649 881 HG21 THR 121 3HG2 THR 121 -1.106 -8.485 9.826 882 HG22 THR 121 1HG2 THR 121 -0.240 -9.463 11.012 883 HG23 THR 121 2HG2 THR 121 -0.772 -10.185 9.494 884 H ALA 122 HN ALA 122 -1.699 -8.034 8.037 885 HA ALA 122 HA ALA 122 -1.288 -5.179 7.478 886 HB1 ALA 122 1HB ALA 122 -3.623 -5.108 6.735 887 HB2 ALA 122 2HB ALA 122 -3.785 -6.832 7.062 888 HB3 ALA 122 3HB ALA 122 -2.693 -6.274 5.795 889 H TRP 123 HN TRP 123 -2.173 -3.694 8.827 890 HA TRP 123 HA TRP 123 -3.331 -4.733 11.321 891 HB2 TRP 123 2HB TRP 123 -1.286 -2.518 11.047 892 HB3 TRP 123 1HB TRP 123 -2.042 -3.035 12.549 893 HD1 TRP 123 1HD TRP 123 0.514 -4.217 9.931 894 HE1 TRP 123 1HE TRP 123 2.000 -6.027 11.020 895 HE3 TRP 123 3HE TRP 123 -2.008 -4.798 14.338 896 HZ2 TRP 123 2HZ TRP 123 2.072 -7.506 13.414 897 HZ3 TRP 123 3HZ TRP 123 -1.179 -6.447 15.963 898 HH2 TRP 123 2HH TRP 123 0.826 -7.767 15.513 899 H ALA 124 HN ALA 124 -4.996 -3.634 12.136 900 HA ALA 124 HA ALA 124 -5.944 -1.298 10.629 901 HB1 ALA 124 1HB ALA 124 -7.489 -3.210 10.737 902 HB2 ALA 124 2HB ALA 124 -8.145 -1.790 11.551 903 HB3 ALA 124 3HB ALA 124 -7.470 -3.115 12.499 904 H LEU 125 HN LEU 125 -6.015 0.639 11.595 905 HA LEU 125 HA LEU 125 -4.836 0.894 14.214 906 HB2 LEU 125 2HB LEU 125 -4.297 2.459 12.367 907 HB3 LEU 125 1HB LEU 125 -5.963 3.005 12.366 908 HG LEU 125 HG LEU 125 -5.641 3.809 14.710 909 HD11 LEU 125 1HD1 LEU 125 -3.358 4.068 15.541 910 HD12 LEU 125 2HD1 LEU 125 -2.750 3.161 14.156 911 HD13 LEU 125 3HD1 LEU 125 -3.788 2.369 15.342 912 HD21 LEU 125 3HD2 LEU 125 -5.471 5.321 12.796 913 HD22 LEU 125 1HD2 LEU 125 -3.752 4.957 12.661 914 HD23 LEU 125 2HD2 LEU 125 -4.368 5.787 14.089 915 H ALA 126 HN ALA 126 -5.866 1.311 16.079 916 HA ALA 126 HA ALA 126 -8.584 0.851 16.434 917 HB1 ALA 126 1HB ALA 126 -6.791 2.524 18.193 918 HB2 ALA 126 2HB ALA 126 -6.911 0.766 18.244 919 HB3 ALA 126 3HB ALA 126 -8.305 1.758 18.669 920 HA PRO 127 HA PRO 127 -11.171 3.911 14.861 921 HB2 PRO 127 2HB PRO 127 -11.696 4.556 17.741 922 HB3 PRO 127 1HB PRO 127 -12.839 4.417 16.399 923 HG2 PRO 127 2HG PRO 127 -12.382 2.401 18.151 924 HG3 PRO 127 1HG PRO 127 -12.847 2.129 16.465 925 HD2 PRO 127 2HD PRO 127 -10.325 1.532 17.777 926 HD3 PRO 127 1HD PRO 127 -10.859 1.095 16.143 927 H ASP 128 HN ASP 128 -9.660 5.261 17.836 928 HA ASP 128 HA ASP 128 -8.946 7.582 16.174 929 HB2 ASP 128 2HB ASP 128 -10.855 8.085 17.683 930 HB3 ASP 128 1HB ASP 128 -9.814 7.742 19.060 931 H ARG 129 HN ARG 129 -7.001 6.039 16.085 932 HA ARG 129 HA ARG 129 -4.732 6.058 16.311 933 HB2 ARG 129 2HB ARG 129 -5.354 8.636 17.755 934 HB3 ARG 129 1HB ARG 129 -3.734 8.127 17.300 935 HG2 ARG 129 2HG ARG 129 -4.151 8.399 15.030 936 HG3 ARG 129 1HG ARG 129 -5.903 8.360 15.250 937 HD2 ARG 129 2HD ARG 129 -4.120 10.544 16.317 938 HD3 ARG 129 1HD ARG 129 -4.955 10.628 14.766 939 HE ARG 129 HE ARG 129 -7.024 10.179 16.314 940 HH11 ARG 129 1HH1 ARG 129 -4.253 12.192 17.079 941 HH12 ARG 129 2HH1 ARG 129 -5.187 13.317 18.025 942 HH21 ARG 129 1HH2 ARG 129 -8.226 11.610 17.564 943 HH22 ARG 129 2HH2 ARG 129 -7.460 12.995 18.292 944 H SER 130 HN SER 130 -6.246 4.627 18.357 945 HA SER 130 HA SER 130 -4.889 5.176 20.851 946 HB2 SER 130 2HB SER 130 -6.789 2.920 20.181 947 HB3 SER 130 1HB SER 130 -6.320 3.466 21.792 948 HG SER 130 HG SER 130 -7.173 5.614 20.684 949 H GLU 131 HN GLU 131 -5.016 2.447 18.556 950 HA GLU 131 HA GLU 131 -2.314 1.696 19.055 951 HB2 GLU 131 2HB GLU 131 -2.832 -0.540 20.032 952 HB3 GLU 131 1HB GLU 131 -3.208 0.798 21.110 953 HG2 GLU 131 2HG GLU 131 -5.572 0.634 20.419 954 HG3 GLU 131 1HG GLU 131 -5.163 -0.782 19.457 955 H PHE 132 HN PHE 132 -2.067 -0.723 18.137 956 HA PHE 132 HA PHE 132 -3.531 -0.734 15.577 957 HB2 PHE 132 2HB PHE 132 -0.817 -1.846 16.310 958 HB3 PHE 132 1HB PHE 132 -1.626 -2.200 14.790 959 HD1 PHE 132 2HD PHE 132 -1.986 -0.421 13.134 960 HD2 PHE 132 1HD PHE 132 0.252 0.244 16.694 961 HE1 PHE 132 2HE PHE 132 -1.020 1.615 12.143 962 HE2 PHE 132 1HE PHE 132 1.223 2.278 15.707 963 HZ PHE 132 HZ PHE 132 0.588 2.965 13.431 964 H HIS 133 HN HIS 133 -4.527 -2.588 14.868 965 HA HIS 133 HA HIS 133 -4.393 -4.912 16.666 966 HB2 HIS 133 2HB HIS 133 -6.793 -3.654 15.385 967 HB3 HIS 133 1HB HIS 133 -6.790 -5.369 15.776 968 HD1 HIS 133 1HD HIS 133 -7.354 -5.994 18.105 969 HD2 HIS 133 2HD HIS 133 -6.395 -1.965 17.741 970 HE1 HIS 133 1HE HIS 133 -7.785 -4.989 20.369 971 HE2 HIS 133 2HE HIS 133 -6.908 -2.637 20.188 972 H ARG 134 HN ARG 134 -4.435 -6.897 15.757 973 HA ARG 134 HA ARG 134 -3.206 -7.119 13.203 974 HB2 ARG 134 2HB ARG 134 -2.792 -8.661 15.098 975 HB3 ARG 134 1HB ARG 134 -4.430 -9.273 14.940 976 HG2 ARG 134 2HG ARG 134 -3.259 -10.862 13.795 977 HG3 ARG 134 1HG ARG 134 -3.679 -9.756 12.489 978 HD2 ARG 134 2HD ARG 134 -1.382 -10.313 12.228 979 HD3 ARG 134 1HD ARG 134 -1.462 -8.652 12.813 980 HE ARG 134 HE ARG 134 -1.172 -10.028 15.102 981 HH11 ARG 134 1HH1 ARG 134 0.572 -10.180 12.059 982 HH12 ARG 134 2HH1 ARG 134 2.061 -10.668 12.795 983 HH21 ARG 134 1HH2 ARG 134 0.788 -10.685 16.064 984 HH22 ARG 134 2HH2 ARG 134 2.199 -10.932 15.070 985 H GLU 135 HN GLU 135 -4.073 -7.636 11.252 986 HA GLU 135 HA GLU 135 -6.913 -8.368 11.181 987 HB2 GLU 135 2HB GLU 135 -6.646 -5.950 10.653 988 HB3 GLU 135 1HB GLU 135 -5.627 -6.390 9.291 989 HG2 GLU 135 2HG GLU 135 -7.425 -7.415 8.157 990 HG3 GLU 135 1HG GLU 135 -8.446 -7.369 9.593 991 H ASP 136 HN ASP 136 -7.545 -9.612 9.410 992 HA ASP 136 HA ASP 136 -5.369 -11.292 8.440 993 HB2 ASP 136 2HB ASP 136 -8.348 -11.684 8.607 994 HB3 ASP 136 1HB ASP 136 -7.313 -12.786 7.705 995 H ILE 137 HN ILE 137 -5.316 -12.058 6.277 996 HA ILE 137 HA ILE 137 -6.109 -10.006 4.356 997 HB ILE 137 HB ILE 137 -4.231 -12.356 4.185 998 HG12 ILE 137 2HG1 ILE 137 -2.644 -10.493 3.462 999 HG13 ILE 137 1HG1 ILE 137 -3.891 -9.364 3.973 1000 HG21 ILE 137 1HG2 ILE 137 -3.797 -11.765 1.844 1001 HG22 ILE 137 2HG2 ILE 137 -5.115 -10.595 1.908 1002 HG23 ILE 137 3HG2 ILE 137 -5.454 -12.315 2.099 1003 HD11 ILE 137 3HD1 ILE 137 -2.489 -11.366 5.723 1004 HD12 ILE 137 1HD1 ILE 137 -3.763 -10.264 6.245 1005 HD13 ILE 137 2HD1 ILE 137 -2.214 -9.626 5.689 1006 H VAL 138 HN VAL 138 -8.028 -10.220 3.439 1007 HA VAL 138 HA VAL 138 -9.046 -12.930 2.947 1008 HB VAL 138 HB VAL 138 -11.309 -11.831 2.765 1009 HG11 VAL 138 1HG1 VAL 138 -9.890 -11.659 5.421 1010 HG12 VAL 138 2HG1 VAL 138 -10.641 -13.100 4.731 1011 HG13 VAL 138 3HG1 VAL 138 -11.639 -11.719 5.190 1012 HG21 VAL 138 3HG2 VAL 138 -11.587 -9.658 3.888 1013 HG22 VAL 138 1HG2 VAL 138 -10.620 -9.540 2.417 1014 HG23 VAL 138 2HG2 VAL 138 -9.833 -9.511 3.995 1015 H ARG 139 HN ARG 139 -10.155 -13.335 0.986 1016 HA ARG 139 HA ARG 139 -9.003 -11.796 -1.217 1017 HB2 ARG 139 2HB ARG 139 -10.019 -14.641 -1.177 1018 HB3 ARG 139 1HB ARG 139 -9.131 -13.858 -2.471 1019 HG2 ARG 139 2HG ARG 139 -7.152 -13.731 -1.152 1020 HG3 ARG 139 1HG ARG 139 -8.020 -14.261 0.288 1021 HD2 ARG 139 2HD ARG 139 -8.488 -16.413 -0.910 1022 HD3 ARG 139 1HD ARG 139 -7.384 -15.868 -2.175 1023 HE ARG 139 HE ARG 139 -6.159 -15.714 0.389 1024 HH11 ARG 139 1HH1 ARG 139 -7.116 -18.014 -2.079 1025 HH12 ARG 139 2HH1 ARG 139 -5.867 -19.154 -1.674 1026 HH21 ARG 139 1HH2 ARG 139 -4.517 -17.224 0.927 1027 HH22 ARG 139 2HH2 ARG 139 -4.392 -18.711 0.024 1028 HA PRO 140 HA PRO 140 -13.110 -10.555 -2.359 1029 HB2 PRO 140 2HB PRO 140 -12.075 -10.110 -5.061 1030 HB3 PRO 140 1HB PRO 140 -12.662 -8.934 -3.883 1031 HG2 PRO 140 2HG PRO 140 -10.052 -9.137 -4.562 1032 HG3 PRO 140 1HG PRO 140 -10.585 -8.637 -2.947 1033 HD2 PRO 140 2HD PRO 140 -9.567 -11.297 -3.868 1034 HD3 PRO 140 1HD PRO 140 -9.248 -10.428 -2.352 1035 H ASP 141 HN ASP 141 -14.830 -11.635 -3.085 1036 HA ASP 141 HA ASP 141 -14.472 -14.107 -4.534 1037 HB2 ASP 141 2HB ASP 141 -16.987 -12.730 -3.553 1038 HB3 ASP 141 1HB ASP 141 -16.933 -14.332 -4.278 1039 HA PRO 142 HA PRO 142 -15.269 -11.990 -8.406 1040 HB2 PRO 142 2HB PRO 142 -14.595 -14.008 -10.042 1041 HB3 PRO 142 1HB PRO 142 -13.372 -13.102 -9.144 1042 HG2 PRO 142 2HG PRO 142 -14.543 -15.788 -8.569 1043 HG3 PRO 142 1HG PRO 142 -12.867 -15.236 -8.404 1044 HD2 PRO 142 2HD PRO 142 -14.674 -15.434 -6.319 1045 HD3 PRO 142 1HD PRO 142 -13.231 -14.403 -6.311 1046 H GLU 143 HN GLU 143 -17.274 -13.433 -6.799 1047 HA GLU 143 HA GLU 143 -19.012 -14.495 -8.925 1048 HB2 GLU 143 2HB GLU 143 -18.948 -15.115 -5.971 1049 HB3 GLU 143 1HB GLU 143 -20.162 -15.716 -7.088 1050 HG2 GLU 143 2HG GLU 143 -18.470 -16.920 -8.326 1051 HG3 GLU 143 1HG GLU 143 -17.211 -16.256 -7.288 1052 H ALA 144 HN ALA 144 -18.486 -11.851 -7.120 1053 HA ALA 144 HA ALA 144 -21.185 -11.201 -6.376 1054 HB1 ALA 144 1HB ALA 144 -19.273 -10.322 -5.107 1055 HB2 ALA 144 2HB ALA 144 -20.282 -9.027 -5.753 1056 HB3 ALA 144 3HB ALA 144 -18.750 -9.422 -6.532 1057 HA PRO 145 HA PRO 145 -22.411 -9.792 -10.411 1058 HB2 PRO 145 2HB PRO 145 -24.508 -8.213 -9.574 1059 HB3 PRO 145 1HB PRO 145 -24.600 -9.952 -9.850 1060 HG2 PRO 145 2HG PRO 145 -24.323 -8.447 -7.295 1061 HG3 PRO 145 1HG PRO 145 -25.219 -9.939 -7.629 1062 HD2 PRO 145 2HD PRO 145 -22.822 -9.912 -6.356 1063 HD3 PRO 145 1HD PRO 145 -23.359 -11.264 -7.373 1064 H LEU 146 HN LEU 146 -21.822 -8.117 -11.631 1065 HA LEU 146 HA LEU 146 -20.637 -5.831 -10.283 1066 HB2 LEU 146 2HB LEU 146 -19.700 -5.258 -12.467 1067 HB3 LEU 146 1HB LEU 146 -19.277 -6.881 -11.982 1068 HG LEU 146 HG LEU 146 -21.649 -6.605 -13.735 1069 HD11 LEU 146 1HD1 LEU 146 -18.834 -6.263 -14.764 1070 HD12 LEU 146 2HD1 LEU 146 -20.047 -4.986 -14.685 1071 HD13 LEU 146 3HD1 LEU 146 -20.302 -6.380 -15.735 1072 HD21 LEU 146 3HD2 LEU 146 -19.280 -8.470 -13.638 1073 HD22 LEU 146 1HD2 LEU 146 -20.648 -8.618 -14.743 1074 HD23 LEU 146 2HD2 LEU 146 -20.894 -8.793 -13.006 1075 H GLU 147 HN GLU 147 -21.299 -3.755 -10.515 1076 HA GLU 147 HA GLU 147 -24.014 -3.283 -11.166 1077 HB2 GLU 147 2HB GLU 147 -23.486 -1.012 -10.504 1078 HB3 GLU 147 1HB GLU 147 -22.812 -2.140 -9.349 1079 HG2 GLU 147 2HG GLU 147 -20.631 -1.881 -10.290 1080 HG3 GLU 147 1HG GLU 147 -21.263 -0.882 -11.596 1081 H HIS 148 HN HIS 148 -24.382 -1.110 -12.463 1082 HA HIS 148 HA HIS 148 -23.024 -1.414 -15.036 1083 HB2 HIS 148 2HB HIS 148 -25.474 0.189 -14.261 1084 HB3 HIS 148 1HB HIS 148 -24.771 0.163 -15.875 1085 HD1 HIS 148 1HD HIS 148 -24.491 -2.524 -16.755 1086 HD2 HIS 148 2HD HIS 148 -27.517 -1.561 -14.066 1087 HE1 HIS 148 1HE HIS 148 -26.176 -4.383 -16.936 1088 HE2 HIS 148 2HE HIS 148 -28.082 -3.686 -15.438 1089 H HIS 149 HN HIS 149 -21.056 -0.548 -14.553 1090 HA HIS 149 HA HIS 149 -20.811 2.048 -13.317 1091 HB2 HIS 149 2HB HIS 149 -19.192 -0.057 -13.259 1092 HB3 HIS 149 1HB HIS 149 -18.531 0.700 -14.703 1093 HD1 HIS 149 1HD HIS 149 -16.837 2.506 -14.328 1094 HD2 HIS 149 2HD HIS 149 -19.060 1.682 -10.912 1095 HE1 HIS 149 1HE HIS 149 -15.753 3.821 -12.480 1096 HE2 HIS 149 2HE HIS 149 -16.965 3.107 -10.385 1097 H HIS 150 HN HIS 150 -19.956 3.920 -14.364 1098 HA HIS 150 HA HIS 150 -20.739 3.944 -17.204 1099 HB2 HIS 150 2HB HIS 150 -22.093 5.270 -15.550 1100 HB3 HIS 150 1HB HIS 150 -20.669 6.263 -15.263 1101 HD1 HIS 150 1HD HIS 150 -20.711 8.368 -16.541 1102 HD2 HIS 150 2HD HIS 150 -22.718 5.310 -18.523 1103 HE1 HIS 150 1HE HIS 150 -21.634 9.405 -18.642 1104 HE2 HIS 150 2HE HIS 150 -22.727 7.503 -19.887 1105 H HIS 151 HN HIS 151 -19.397 4.807 -18.747 1106 HA HIS 151 HA HIS 151 -16.746 5.693 -17.831 1107 HB2 HIS 151 2HB HIS 151 -17.711 4.311 -20.262 1108 HB3 HIS 151 1HB HIS 151 -16.438 5.502 -20.507 1109 HD1 HIS 151 1HD HIS 151 -16.586 2.114 -20.360 1110 HD2 HIS 151 2HD HIS 151 -14.424 4.864 -18.115 1111 HE1 HIS 151 1HE HIS 151 -14.629 0.837 -19.430 1112 HE2 HIS 151 2HE HIS 151 -13.226 2.574 -18.265 1113 H HIS 152 HN HIS 152 -18.386 6.440 -20.871 1114 HA HIS 152 HA HIS 152 -18.789 8.377 -21.973 1115 HB2 HIS 152 2HB HIS 152 -20.048 9.130 -20.001 1116 HB3 HIS 152 1HB HIS 152 -18.561 9.738 -19.279 1117 HD1 HIS 152 1HD HIS 152 -17.997 12.117 -19.767 1118 HD2 HIS 152 2HD HIS 152 -20.723 10.551 -22.497 1119 HE1 HIS 152 1HE HIS 152 -18.699 14.049 -21.213 1120 HE2 HIS 152 2HE HIS 152 -20.196 13.043 -22.970 1121 H HIS 153 HN HIS 153 -16.173 8.567 -19.612 1122 HA HIS 153 HA HIS 153 -14.594 10.063 -21.568 1123 HB2 HIS 153 2HB HIS 153 -12.973 10.413 -19.710 1124 HB3 HIS 153 1HB HIS 153 -14.563 11.075 -19.375 1125 HD1 HIS 153 1HD HIS 153 -16.026 9.754 -17.574 1126 HD2 HIS 153 2HD HIS 153 -12.046 8.573 -17.888 1127 HE1 HIS 153 1HE HIS 153 -15.549 8.413 -15.504 1128 HE2 HIS 153 2HE HIS 153 -13.147 7.682 -15.722 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -10.379 -6.655 4.332 2 H2 MET 1 H2 MET 1 -9.356 -5.686 5.266 3 H3 MET 1 H3 MET 1 -9.082 -7.353 5.176 4 HA MET 1 HA MET 1 -8.873 -5.436 2.934 5 HB2 MET 1 2HB MET 1 -7.049 -5.150 4.515 6 HB3 MET 1 1HB MET 1 -6.763 -6.885 4.548 7 HG2 MET 1 2HG MET 1 -6.153 -6.793 2.160 8 HG3 MET 1 1HG MET 1 -6.350 -5.043 2.202 9 HE1 MET 1 2HE MET 1 -3.824 -4.933 1.189 10 HE2 MET 1 3HE MET 1 -3.695 -6.689 1.284 11 HE3 MET 1 1HE MET 1 -2.436 -5.672 1.986 12 H LYS 2 HN LYS 2 -9.212 -6.365 1.028 13 HA LYS 2 HA LYS 2 -8.648 -9.248 0.751 14 HB2 LYS 2 2HB LYS 2 -10.541 -7.452 -0.756 15 HB3 LYS 2 1HB LYS 2 -10.045 -9.012 -1.386 16 HG2 LYS 2 2HG LYS 2 -12.049 -9.507 -0.382 17 HG3 LYS 2 1HG LYS 2 -10.901 -9.916 0.890 18 HD2 LYS 2 2HD LYS 2 -11.302 -7.786 1.975 19 HD3 LYS 2 1HD LYS 2 -12.390 -7.301 0.673 20 HE2 LYS 2 2HE LYS 2 -13.853 -9.217 1.240 21 HE3 LYS 2 1HE LYS 2 -12.789 -9.595 2.594 22 HZ1 LYS 2 3HZ LYS 2 -14.430 -7.155 2.227 23 HZ2 LYS 2 1HZ LYS 2 -13.242 -7.308 3.427 24 HZ3 LYS 2 2HZ LYS 2 -14.601 -8.334 3.428 25 H THR 3 HN THR 3 -7.132 -9.902 -0.659 26 HA THR 3 HA THR 3 -6.386 -8.274 -2.908 27 HB THR 3 HB THR 3 -5.007 -7.336 -1.012 28 HG1 THR 3 1HG THR 3 -4.173 -7.008 -3.021 29 HG21 THR 3 3HG2 THR 3 -3.697 -10.056 -1.132 30 HG22 THR 3 1HG2 THR 3 -4.596 -9.386 0.230 31 HG23 THR 3 2HG2 THR 3 -3.066 -8.659 -0.260 32 H THR 4 HN THR 4 -4.686 -9.452 -4.235 33 HA THR 4 HA THR 4 -5.385 -12.293 -4.144 34 HB THR 4 HB THR 4 -4.464 -12.240 -6.534 35 HG1 THR 4 1HG THR 4 -3.580 -10.410 -7.078 36 HG21 THR 4 3HG2 THR 4 -6.859 -12.347 -6.039 37 HG22 THR 4 1HG2 THR 4 -6.554 -11.319 -7.439 38 HG23 THR 4 2HG2 THR 4 -6.909 -10.594 -5.872 39 HA PRO 5 HA PRO 5 -1.471 -13.787 -2.939 40 HB2 PRO 5 2HB PRO 5 -1.078 -15.798 -4.809 41 HB3 PRO 5 1HB PRO 5 -2.033 -15.945 -3.335 42 HG2 PRO 5 2HG PRO 5 -2.935 -15.417 -6.130 43 HG3 PRO 5 1HG PRO 5 -3.681 -16.431 -4.881 44 HD2 PRO 5 2HD PRO 5 -4.652 -14.009 -5.460 45 HD3 PRO 5 1HD PRO 5 -4.628 -14.617 -3.792 46 H ASP 6 HN ASP 6 -1.825 -13.152 -6.403 47 HA ASP 6 HA ASP 6 0.911 -13.197 -7.036 48 HB2 ASP 6 2HB ASP 6 0.283 -12.311 -9.130 49 HB3 ASP 6 1HB ASP 6 -1.067 -13.308 -8.636 50 H ILE 7 HN ILE 7 -1.214 -10.691 -5.795 51 HA ILE 7 HA ILE 7 0.620 -8.538 -6.116 52 HB ILE 7 HB ILE 7 -1.701 -8.832 -4.194 53 HG12 ILE 7 2HG1 ILE 7 -2.367 -8.897 -6.559 54 HG13 ILE 7 1HG1 ILE 7 -2.916 -7.416 -5.785 55 HG21 ILE 7 1HG2 ILE 7 -1.587 -6.404 -3.936 56 HG22 ILE 7 2HG2 ILE 7 -0.142 -6.360 -4.946 57 HG23 ILE 7 3HG2 ILE 7 -0.101 -7.181 -3.386 58 HD11 ILE 7 3HD1 ILE 7 -1.075 -6.190 -6.808 59 HD12 ILE 7 1HD1 ILE 7 -2.074 -6.991 -8.022 60 HD13 ILE 7 2HD1 ILE 7 -0.512 -7.677 -7.573 61 H LEU 8 HN LEU 8 -0.202 -10.692 -3.421 62 HA LEU 8 HA LEU 8 1.512 -9.615 -1.491 63 HB2 LEU 8 2HB LEU 8 0.618 -12.475 -1.874 64 HB3 LEU 8 1HB LEU 8 1.397 -11.860 -0.428 65 HG LEU 8 HG LEU 8 -1.276 -10.932 -1.486 66 HD11 LEU 8 1HD1 LEU 8 -1.342 -13.225 -0.649 67 HD12 LEU 8 2HD1 LEU 8 -2.215 -12.122 0.415 68 HD13 LEU 8 3HD1 LEU 8 -0.609 -12.697 0.864 69 HD21 LEU 8 3HD2 LEU 8 -1.460 -9.785 0.668 70 HD22 LEU 8 1HD2 LEU 8 -0.095 -9.185 -0.273 71 HD23 LEU 8 2HD2 LEU 8 0.180 -10.288 1.075 72 H ASP 9 HN ASP 9 2.069 -12.101 -3.930 73 HA ASP 9 HA ASP 9 4.728 -12.731 -3.280 74 HB2 ASP 9 2HB ASP 9 3.441 -14.086 -4.832 75 HB3 ASP 9 1HB ASP 9 3.297 -12.738 -5.948 76 H GLN 10 HN GLN 10 3.404 -10.361 -5.550 77 HA GLN 10 HA GLN 10 5.847 -9.270 -6.370 78 HB2 GLN 10 2HB GLN 10 3.081 -8.077 -6.263 79 HB3 GLN 10 1HB GLN 10 4.454 -7.239 -6.972 80 HG2 GLN 10 2HG GLN 10 4.757 -9.116 -8.534 81 HG3 GLN 10 1HG GLN 10 3.336 -9.892 -7.849 82 HE21 GLN 10 1HE2 GLN 10 1.884 -7.404 -7.527 83 HE22 GLN 10 2HE2 GLN 10 1.361 -6.953 -9.111 84 H ILE 11 HN ILE 11 3.930 -8.658 -3.493 85 HA ILE 11 HA ILE 11 5.205 -6.259 -2.726 86 HB ILE 11 HB ILE 11 3.877 -8.343 -0.985 87 HG12 ILE 11 2HG1 ILE 11 2.879 -5.695 -2.052 88 HG13 ILE 11 1HG1 ILE 11 2.395 -7.280 -2.652 89 HG21 ILE 11 1HG2 ILE 11 4.687 -5.511 -0.315 90 HG22 ILE 11 2HG2 ILE 11 5.430 -6.979 0.320 91 HG23 ILE 11 3HG2 ILE 11 3.757 -6.590 0.725 92 HD11 ILE 11 3HD1 ILE 11 0.725 -6.278 -1.172 93 HD12 ILE 11 1HD1 ILE 11 1.904 -6.252 0.138 94 HD13 ILE 11 2HD1 ILE 11 1.357 -7.792 -0.525 95 H ARG 12 HN ARG 12 5.859 -9.650 -1.778 96 HA ARG 12 HA ARG 12 8.068 -8.994 -0.143 97 HB2 ARG 12 2HB ARG 12 8.686 -11.417 -0.371 98 HB3 ARG 12 1HB ARG 12 7.055 -11.117 0.201 99 HG2 ARG 12 2HG ARG 12 6.117 -11.744 -1.867 100 HG3 ARG 12 1HG ARG 12 7.684 -11.704 -2.673 101 HD2 ARG 12 2HD ARG 12 6.899 -13.996 -2.205 102 HD3 ARG 12 1HD ARG 12 8.430 -13.615 -1.424 103 HE ARG 12 HE ARG 12 6.705 -13.074 0.540 104 HH11 ARG 12 1HH1 ARG 12 6.850 -15.804 -1.651 105 HH12 ARG 12 2HH1 ARG 12 6.245 -16.942 -0.478 106 HH21 ARG 12 1HH2 ARG 12 5.923 -14.569 2.087 107 HH22 ARG 12 2HH2 ARG 12 5.747 -16.248 1.660 108 H VAL 13 HN VAL 13 7.822 -9.838 -3.560 109 HA VAL 13 HA VAL 13 10.602 -9.879 -4.083 110 HB VAL 13 HB VAL 13 8.310 -9.246 -5.953 111 HG11 VAL 13 1HG1 VAL 13 9.864 -9.800 -7.763 112 HG12 VAL 13 2HG1 VAL 13 11.167 -9.972 -6.590 113 HG13 VAL 13 3HG1 VAL 13 10.412 -8.399 -6.844 114 HG21 VAL 13 3HG2 VAL 13 8.570 -11.573 -6.682 115 HG22 VAL 13 1HG2 VAL 13 8.145 -11.465 -4.974 116 HG23 VAL 13 2HG2 VAL 13 9.807 -11.815 -5.448 117 H HIS 14 HN HIS 14 8.169 -7.316 -4.262 118 HA HIS 14 HA HIS 14 9.737 -5.244 -5.250 119 HB2 HIS 14 2HB HIS 14 7.386 -4.915 -5.085 120 HB3 HIS 14 1HB HIS 14 7.378 -5.259 -3.364 121 HD1 HIS 14 1HD HIS 14 8.491 -2.546 -5.787 122 HD2 HIS 14 2HD HIS 14 7.609 -3.085 -1.753 123 HE1 HIS 14 1HE HIS 14 8.481 -0.243 -4.774 124 HE2 HIS 14 2HE HIS 14 7.868 -0.585 -2.350 125 H GLY 15 HN GLY 15 9.521 -6.530 -1.977 126 HA2 GLY 15 2HA GLY 15 10.896 -4.433 -0.674 127 HA3 GLY 15 1HA GLY 15 10.752 -6.083 -0.086 128 H ALA 16 HN ALA 16 12.099 -7.536 -1.950 129 HA ALA 16 HA ALA 16 14.804 -6.945 -1.225 130 HB1 ALA 16 1HB ALA 16 13.746 -9.070 -3.079 131 HB2 ALA 16 2HB ALA 16 13.961 -9.249 -1.336 132 HB3 ALA 16 3HB ALA 16 15.364 -9.006 -2.381 133 H ASP 17 HN ASP 17 12.872 -6.644 -4.133 134 HA ASP 17 HA ASP 17 15.010 -6.294 -5.963 135 HB2 ASP 17 2HB ASP 17 12.533 -6.913 -6.397 136 HB3 ASP 17 1HB ASP 17 12.247 -5.181 -6.366 137 H ALA 18 HN ALA 18 13.114 -4.095 -4.008 138 HA ALA 18 HA ALA 18 14.019 -1.709 -5.302 139 HB1 ALA 18 1HB ALA 18 12.898 -0.521 -3.503 140 HB2 ALA 18 2HB ALA 18 12.712 -2.025 -2.601 141 HB3 ALA 18 3HB ALA 18 11.870 -1.806 -4.134 142 H TYR 19 HN TYR 19 15.173 -3.645 -2.647 143 HA TYR 19 HA TYR 19 16.830 -1.691 -1.441 144 HB2 TYR 19 2HB TYR 19 16.472 -4.615 -1.228 145 HB3 TYR 19 1HB TYR 19 18.067 -4.011 -0.785 146 HD1 TYR 19 1HD TYR 19 14.458 -3.235 -0.163 147 HD2 TYR 19 2HD TYR 19 18.412 -3.351 1.401 148 HE1 TYR 19 1HE TYR 19 13.598 -2.573 2.045 149 HE2 TYR 19 2HE TYR 19 17.567 -2.686 3.607 150 HH TYR 19 HH TYR 19 15.703 -1.656 4.641 151 HA PRO 20 HA PRO 20 19.137 -2.287 -0.274 152 HB2 PRO 20 2HB PRO 20 21.113 -0.216 -0.811 153 HB3 PRO 20 1HB PRO 20 21.313 -1.764 0.012 154 HG2 PRO 20 2HG PRO 20 22.391 -1.252 -2.417 155 HG3 PRO 20 1HG PRO 20 21.864 -2.873 -1.926 156 HD2 PRO 20 2HD PRO 20 20.460 -0.865 -3.655 157 HD3 PRO 20 1HD PRO 20 20.622 -2.622 -3.872 158 H GLU 21 HN GLU 21 18.007 -0.139 -2.594 159 HA GLU 21 HA GLU 21 17.857 2.221 -0.975 160 HB2 GLU 21 2HB GLU 21 16.312 1.519 -3.472 161 HB3 GLU 21 1HB GLU 21 16.461 3.119 -2.757 162 HG2 GLU 21 2HG GLU 21 18.887 3.044 -3.163 163 HG3 GLU 21 1HG GLU 21 18.682 1.478 -3.948 164 H GLU 22 HN GLU 22 15.625 3.263 -0.656 165 HA GLU 22 HA GLU 22 14.058 1.368 0.909 166 HB2 GLU 22 2HB GLU 22 14.861 3.582 1.833 167 HB3 GLU 22 1HB GLU 22 13.740 4.368 0.732 168 HG2 GLU 22 2HG GLU 22 11.877 3.191 1.819 169 HG3 GLU 22 1HG GLU 22 13.019 2.464 2.949 170 H GLY 23 HN GLY 23 12.089 0.650 0.300 171 HA2 GLY 23 2HA GLY 23 10.827 1.990 -2.009 172 HA3 GLY 23 1HA GLY 23 10.950 0.243 -1.899 173 H CYS 24 HN CYS 24 9.917 2.787 0.382 174 HA CYS 24 HA CYS 24 7.606 1.209 1.124 175 HB2 CYS 24 2HB CYS 24 7.151 3.260 2.594 176 HB3 CYS 24 1HB CYS 24 8.611 2.339 2.939 177 HG CYS 24 HG CYS 24 10.147 4.392 2.901 178 H GLY 25 HN GLY 25 5.490 2.792 1.396 179 HA2 GLY 25 2HA GLY 25 4.950 4.849 -0.328 180 HA3 GLY 25 1HA GLY 25 4.728 3.406 -1.303 181 H PHE 26 HN PHE 26 2.520 4.180 -1.487 182 HA PHE 26 HA PHE 26 0.886 3.547 0.882 183 HB2 PHE 26 2HB PHE 26 0.440 5.586 -1.303 184 HB3 PHE 26 1HB PHE 26 -0.865 5.030 -0.265 185 HD1 PHE 26 1HD PHE 26 2.634 6.304 0.131 186 HD2 PHE 26 2HD PHE 26 -1.403 6.389 1.473 187 HE1 PHE 26 1HE PHE 26 3.225 8.028 1.786 188 HE2 PHE 26 2HE PHE 26 -0.823 8.109 3.131 189 HZ PHE 26 HZ PHE 26 1.496 8.932 3.291 190 H LEU 27 HN LEU 27 -1.293 2.706 0.355 191 HA LEU 27 HA LEU 27 -1.060 0.714 -1.781 192 HB2 LEU 27 2HB LEU 27 -2.990 0.890 0.533 193 HB3 LEU 27 1HB LEU 27 -2.892 -0.433 -0.612 194 HG LEU 27 HG LEU 27 -0.681 0.352 1.290 195 HD11 LEU 27 1HD1 LEU 27 -2.704 -1.877 1.444 196 HD12 LEU 27 2HD1 LEU 27 -2.584 -0.486 2.522 197 HD13 LEU 27 3HD1 LEU 27 -1.303 -1.697 2.500 198 HD21 LEU 27 3HD2 LEU 27 -1.016 -2.066 -0.480 199 HD22 LEU 27 1HD2 LEU 27 0.304 -1.784 0.656 200 HD23 LEU 27 2HD2 LEU 27 0.111 -0.737 -0.750 201 H LEU 28 HN LEU 28 -2.377 0.683 -3.517 202 HA LEU 28 HA LEU 28 -4.559 2.666 -3.597 203 HB2 LEU 28 2HB LEU 28 -3.045 1.458 -5.915 204 HB3 LEU 28 1HB LEU 28 -4.289 2.689 -6.022 205 HG LEU 28 HG LEU 28 -1.585 3.040 -4.721 206 HD11 LEU 28 1HD1 LEU 28 -1.433 2.857 -7.144 207 HD12 LEU 28 2HD1 LEU 28 -1.112 4.510 -6.614 208 HD13 LEU 28 3HD1 LEU 28 -2.674 4.097 -7.322 209 HD21 LEU 28 3HD2 LEU 28 -3.307 4.400 -3.653 210 HD22 LEU 28 1HD2 LEU 28 -3.801 5.023 -5.229 211 HD23 LEU 28 2HD2 LEU 28 -2.200 5.405 -4.592 212 H GLY 29 HN GLY 29 -6.599 1.973 -4.066 213 HA2 GLY 29 2HA GLY 29 -7.194 -0.442 -5.402 214 HA3 GLY 29 1HA GLY 29 -7.261 -0.717 -3.667 215 H THR 30 HN THR 30 -9.487 -1.115 -3.755 216 HA THR 30 HA THR 30 -11.086 1.335 -3.950 217 HB THR 30 HB THR 30 -12.925 -0.383 -4.833 218 HG1 THR 30 1HG THR 30 -10.487 -1.361 -5.943 219 HG21 THR 30 3HG2 THR 30 -10.852 0.941 -6.584 220 HG22 THR 30 1HG2 THR 30 -12.307 1.700 -5.939 221 HG23 THR 30 2HG2 THR 30 -12.442 0.390 -7.114 222 H VAL 31 HN VAL 31 -13.107 1.229 -2.782 223 HA VAL 31 HA VAL 31 -12.894 -0.487 -0.422 224 HB VAL 31 HB VAL 31 -14.776 1.830 -0.931 225 HG11 VAL 31 1HG1 VAL 31 -14.143 0.304 1.592 226 HG12 VAL 31 2HG1 VAL 31 -15.671 0.297 0.709 227 HG13 VAL 31 3HG1 VAL 31 -15.120 1.769 1.509 228 HG21 VAL 31 3HG2 VAL 31 -12.188 1.731 0.614 229 HG22 VAL 31 1HG2 VAL 31 -13.308 3.092 0.596 230 HG23 VAL 31 2HG2 VAL 31 -12.484 2.608 -0.886 231 H THR 32 HN THR 32 -14.247 -2.138 -0.042 232 HA THR 32 HA THR 32 -16.174 -2.836 -2.099 233 HB THR 32 HB THR 32 -16.434 -4.948 -0.796 234 HG1 THR 32 1HG THR 32 -14.441 -3.732 0.852 235 HG21 THR 32 3HG2 THR 32 -14.794 -4.816 -2.596 236 HG22 THR 32 1HG2 THR 32 -14.192 -5.829 -1.284 237 HG23 THR 32 2HG2 THR 32 -13.592 -4.182 -1.471 238 H ASP 33 HN ASP 33 -18.348 -3.669 -1.403 239 HA ASP 33 HA ASP 33 -19.742 -1.591 -0.104 240 HB2 ASP 33 2HB ASP 33 -20.622 -4.361 -0.920 241 HB3 ASP 33 1HB ASP 33 -21.713 -3.162 -0.237 242 H ASP 34 HN ASP 34 -18.093 -4.255 1.166 243 HA ASP 34 HA ASP 34 -19.696 -4.604 3.528 244 HB2 ASP 34 2HB ASP 34 -16.876 -5.509 2.894 245 HB3 ASP 34 1HB ASP 34 -17.772 -5.965 4.340 246 H GLY 35 HN GLY 35 -17.541 -2.241 2.514 247 HA2 GLY 35 2HA GLY 35 -16.825 -0.372 3.728 248 HA3 GLY 35 1HA GLY 35 -17.268 -1.194 5.220 249 H ASP 36 HN ASP 36 -15.467 -2.995 2.980 250 HA ASP 36 HA ASP 36 -13.014 -2.613 4.564 251 HB2 ASP 36 2HB ASP 36 -14.051 -4.822 4.927 252 HB3 ASP 36 1HB ASP 36 -14.001 -5.136 3.199 253 H ASN 37 HN ASN 37 -10.992 -3.162 3.259 254 HA ASN 37 HA ASN 37 -11.387 -1.825 0.666 255 HB2 ASN 37 2HB ASN 37 -8.977 -1.120 0.911 256 HB3 ASN 37 1HB ASN 37 -10.098 -0.418 2.066 257 HD21 ASN 37 1HD2 ASN 37 -8.506 0.039 3.534 258 HD22 ASN 37 2HD2 ASN 37 -7.719 -1.185 4.474 259 H ARG 38 HN ARG 38 -10.350 -2.450 -1.154 260 HA ARG 38 HA ARG 38 -8.978 -5.058 -1.094 261 HB2 ARG 38 2HB ARG 38 -11.067 -5.205 -2.331 262 HB3 ARG 38 1HB ARG 38 -10.648 -3.780 -3.271 263 HG2 ARG 38 2HG ARG 38 -8.753 -5.014 -4.252 264 HG3 ARG 38 1HG ARG 38 -9.258 -6.450 -3.358 265 HD2 ARG 38 2HD ARG 38 -10.044 -6.483 -5.687 266 HD3 ARG 38 1HD ARG 38 -11.380 -6.467 -4.537 267 HE ARG 38 HE ARG 38 -11.396 -3.957 -5.017 268 HH11 ARG 38 1HH1 ARG 38 -10.401 -6.339 -7.380 269 HH12 ARG 38 2HH1 ARG 38 -10.970 -5.410 -8.740 270 HH21 ARG 38 1HH2 ARG 38 -12.118 -2.728 -6.791 271 HH22 ARG 38 2HH2 ARG 38 -11.948 -3.353 -8.410 272 H VAL 39 HN VAL 39 -6.840 -4.701 -1.232 273 HA VAL 39 HA VAL 39 -5.802 -2.357 -2.588 274 HB VAL 39 HB VAL 39 -4.305 -4.636 -1.280 275 HG11 VAL 39 1HG1 VAL 39 -3.338 -1.917 -2.163 276 HG12 VAL 39 2HG1 VAL 39 -2.957 -3.454 -2.937 277 HG13 VAL 39 3HG1 VAL 39 -2.381 -3.124 -1.303 278 HG21 VAL 39 3HG2 VAL 39 -3.971 -3.081 0.592 279 HG22 VAL 39 1HG2 VAL 39 -5.677 -3.444 0.333 280 HG23 VAL 39 2HG2 VAL 39 -5.012 -1.904 -0.209 281 H ALA 40 HN ALA 40 -5.353 -2.329 -4.673 282 HA ALA 40 HA ALA 40 -4.974 -4.912 -6.037 283 HB1 ALA 40 1HB ALA 40 -6.367 -2.482 -7.136 284 HB2 ALA 40 2HB ALA 40 -7.167 -3.915 -6.489 285 HB3 ALA 40 3HB ALA 40 -6.172 -4.038 -7.941 286 H ALA 41 HN ALA 41 -3.699 -1.746 -5.537 287 HA ALA 41 HA ALA 41 -1.645 -2.301 -7.549 288 HB1 ALA 41 1HB ALA 41 -1.729 -0.027 -8.417 289 HB2 ALA 41 2HB ALA 41 -3.080 0.343 -7.345 290 HB3 ALA 41 3HB ALA 41 -3.277 -0.844 -8.634 291 H LEU 42 HN LEU 42 0.367 -1.537 -7.104 292 HA LEU 42 HA LEU 42 0.747 -0.222 -4.482 293 HB2 LEU 42 2HB LEU 42 2.678 -2.037 -5.943 294 HB3 LEU 42 1HB LEU 42 2.890 -1.358 -4.342 295 HG LEU 42 HG LEU 42 0.746 -3.351 -5.080 296 HD11 LEU 42 1HD1 LEU 42 3.360 -3.744 -3.640 297 HD12 LEU 42 2HD1 LEU 42 2.956 -4.341 -5.250 298 HD13 LEU 42 3HD1 LEU 42 2.099 -4.959 -3.838 299 HD21 LEU 42 3HD2 LEU 42 1.667 -2.311 -2.402 300 HD22 LEU 42 1HD2 LEU 42 0.449 -3.560 -2.668 301 HD23 LEU 42 2HD2 LEU 42 0.146 -1.906 -3.200 302 H HIS 43 HN HIS 43 2.496 1.352 -4.368 303 HA HIS 43 HA HIS 43 3.888 1.958 -6.828 304 HB2 HIS 43 2HB HIS 43 3.248 4.216 -7.019 305 HB3 HIS 43 1HB HIS 43 1.745 3.345 -6.797 306 HD1 HIS 43 1HD HIS 43 0.559 3.645 -4.463 307 HD2 HIS 43 2HD HIS 43 3.841 6.114 -5.099 308 HE1 HIS 43 1HE HIS 43 0.396 5.451 -2.726 309 HE2 HIS 43 2HE HIS 43 2.434 6.902 -3.072 310 H ARG 44 HN ARG 44 5.649 3.507 -6.494 311 HA ARG 44 HA ARG 44 6.944 2.966 -3.943 312 HB2 ARG 44 2HB ARG 44 8.020 4.423 -6.368 313 HB3 ARG 44 1HB ARG 44 8.955 3.753 -5.037 314 HG2 ARG 44 2HG ARG 44 8.612 1.557 -5.739 315 HG3 ARG 44 1HG ARG 44 7.247 1.998 -6.767 316 HD2 ARG 44 2HD ARG 44 10.157 2.672 -7.233 317 HD3 ARG 44 1HD ARG 44 9.187 1.510 -8.140 318 HE ARG 44 HE ARG 44 9.061 4.423 -8.313 319 HH11 ARG 44 1HH1 ARG 44 7.797 1.315 -9.353 320 HH12 ARG 44 2HH1 ARG 44 6.894 1.990 -10.676 321 HH21 ARG 44 1HH2 ARG 44 7.855 5.298 -10.056 322 HH22 ARG 44 2HH2 ARG 44 6.943 4.232 -11.080 323 H ALA 45 HN ALA 45 7.385 4.493 -2.413 324 HA ALA 45 HA ALA 45 5.925 6.823 -2.164 325 HB1 ALA 45 1HB ALA 45 7.096 5.778 -0.295 326 HB2 ALA 45 2HB ALA 45 7.509 7.486 -0.426 327 HB3 ALA 45 3HB ALA 45 8.644 6.260 -0.985 328 H THR 46 HN THR 46 5.899 8.543 -3.424 329 HA THR 46 HA THR 46 8.312 9.212 -4.948 330 HB THR 46 HB THR 46 5.537 10.242 -5.459 331 HG1 THR 46 1HG THR 46 5.722 7.858 -5.449 332 HG21 THR 46 3HG2 THR 46 7.942 9.871 -7.245 333 HG22 THR 46 1HG2 THR 46 7.366 11.404 -6.591 334 HG23 THR 46 2HG2 THR 46 6.378 10.512 -7.744 335 H ASN 47 HN ASN 47 9.374 10.950 -4.559 336 HA ASN 47 HA ASN 47 10.008 13.033 -3.979 337 HB2 ASN 47 2HB ASN 47 8.018 13.795 -5.224 338 HB3 ASN 47 1HB ASN 47 7.060 13.663 -3.753 339 HD21 ASN 47 1HD2 ASN 47 9.600 15.399 -5.376 340 HD22 ASN 47 2HD2 ASN 47 9.593 16.788 -4.345 341 H ARG 48 HN ARG 48 11.038 12.550 -2.145 342 HA ARG 48 HA ARG 48 9.606 13.326 0.308 343 HB2 ARG 48 2HB ARG 48 11.728 11.177 0.109 344 HB3 ARG 48 1HB ARG 48 10.994 11.752 1.599 345 HG2 ARG 48 2HG ARG 48 8.782 10.982 0.677 346 HG3 ARG 48 1HG ARG 48 9.687 10.202 -0.621 347 HD2 ARG 48 2HD ARG 48 9.927 9.658 2.335 348 HD3 ARG 48 1HD ARG 48 9.214 8.599 1.122 349 HE ARG 48 HE ARG 48 11.806 9.051 0.288 350 HH11 ARG 48 1HH1 ARG 48 10.246 7.665 3.104 351 HH12 ARG 48 2HH1 ARG 48 11.547 6.565 3.446 352 HH21 ARG 48 1HH2 ARG 48 13.533 7.640 0.756 353 HH22 ARG 48 2HH2 ARG 48 13.434 6.575 2.136 354 H ARG 49 HN ARG 49 12.326 13.568 -1.757 355 HA ARG 49 HA ARG 49 13.731 15.276 0.191 356 HB2 ARG 49 2HB ARG 49 14.896 14.053 -2.317 357 HB3 ARG 49 1HB ARG 49 15.770 14.841 -1.010 358 HG2 ARG 49 2HG ARG 49 14.295 12.216 -0.833 359 HG3 ARG 49 1HG ARG 49 16.045 12.430 -0.914 360 HD2 ARG 49 2HD ARG 49 14.305 13.550 1.280 361 HD3 ARG 49 1HD ARG 49 15.139 12.001 1.382 362 HE ARG 49 HE ARG 49 17.204 13.518 0.894 363 HH11 ARG 49 1HH1 ARG 49 14.441 14.332 2.884 364 HH12 ARG 49 2HH1 ARG 49 15.352 15.313 3.990 365 HH21 ARG 49 1HH2 ARG 49 18.413 14.799 2.335 366 HH22 ARG 49 2HH2 ARG 49 17.619 15.606 3.652 367 H SER 50 HN SER 50 13.067 17.310 -0.135 368 HA SER 50 HA SER 50 12.024 18.251 -2.600 369 HB2 SER 50 2HB SER 50 12.977 19.864 -0.224 370 HB3 SER 50 1HB SER 50 11.871 20.402 -1.482 371 HG SER 50 HG SER 50 10.460 18.647 -0.771 372 H GLU 51 HN GLU 51 13.239 18.571 -4.348 373 HA GLU 51 HA GLU 51 16.035 19.165 -4.179 374 HB2 GLU 51 2HB GLU 51 14.159 19.064 -6.550 375 HB3 GLU 51 1HB GLU 51 15.902 19.269 -6.667 376 HG2 GLU 51 2HG GLU 51 16.188 17.097 -5.509 377 HG3 GLU 51 1HG GLU 51 14.440 16.887 -5.546 378 H GLN 52 HN GLN 52 17.008 21.058 -4.223 379 HA GLN 52 HA GLN 52 15.497 23.367 -3.612 380 HB2 GLN 52 2HB GLN 52 17.719 24.538 -3.627 381 HB3 GLN 52 1HB GLN 52 17.604 23.156 -2.553 382 HG2 GLN 52 2HG GLN 52 18.790 22.917 -5.297 383 HG3 GLN 52 1HG GLN 52 19.743 23.460 -3.919 384 HE21 GLN 52 1HE2 GLN 52 20.201 22.003 -2.260 385 HE22 GLN 52 2HE2 GLN 52 20.036 20.298 -2.469 386 H ARG 53 HN ARG 53 14.318 24.331 -5.025 387 HA ARG 53 HA ARG 53 13.464 25.139 -6.951 388 HB2 ARG 53 2HB ARG 53 16.238 26.321 -7.101 389 HB3 ARG 53 1HB ARG 53 14.853 26.876 -8.032 390 HG2 ARG 53 2HG ARG 53 13.684 27.426 -5.946 391 HG3 ARG 53 1HG ARG 53 15.098 26.906 -5.029 392 HD2 ARG 53 2HD ARG 53 16.428 28.639 -6.224 393 HD3 ARG 53 1HD ARG 53 14.934 29.201 -6.977 394 HE ARG 53 HE ARG 53 14.724 29.097 -4.130 395 HH11 ARG 53 1HH1 ARG 53 15.860 31.047 -6.810 396 HH12 ARG 53 2HH1 ARG 53 15.866 32.529 -5.892 397 HH21 ARG 53 1HH2 ARG 53 14.743 31.036 -2.922 398 HH22 ARG 53 2HH2 ARG 53 15.229 32.523 -3.682 399 H THR 54 HN THR 54 16.645 25.058 -8.440 400 HA THR 54 HA THR 54 17.331 24.229 -10.437 401 HB THR 54 HB THR 54 17.813 22.426 -8.781 402 HG1 THR 54 1HG THR 54 18.370 22.425 -11.152 403 HG21 THR 54 3HG2 THR 54 15.562 21.638 -8.299 404 HG22 THR 54 1HG2 THR 54 16.552 20.319 -8.925 405 HG23 THR 54 2HG2 THR 54 15.367 21.105 -9.969 406 H ARG 55 HN ARG 55 14.681 25.268 -10.623 407 HA ARG 55 HA ARG 55 13.064 25.524 -12.184 408 HB2 ARG 55 2HB ARG 55 14.825 24.884 -13.835 409 HB3 ARG 55 1HB ARG 55 14.297 23.214 -13.686 410 HG2 ARG 55 2HG ARG 55 12.149 23.747 -14.598 411 HG3 ARG 55 1HG ARG 55 12.516 25.470 -14.579 412 HD2 ARG 55 2HD ARG 55 14.304 25.097 -16.210 413 HD3 ARG 55 1HD ARG 55 13.919 23.377 -16.231 414 HE ARG 55 HE ARG 55 11.942 23.835 -17.403 415 HH11 ARG 55 1HH1 ARG 55 13.724 26.767 -16.646 416 HH12 ARG 55 2HH1 ARG 55 12.852 27.738 -17.801 417 HH21 ARG 55 1HH2 ARG 55 10.815 25.106 -18.926 418 HH22 ARG 55 2HH2 ARG 55 11.205 26.787 -19.096 419 H ARG 56 HN ARG 56 13.440 22.857 -10.298 420 HA ARG 56 HA ARG 56 10.932 21.566 -10.918 421 HB2 ARG 56 2HB ARG 56 12.854 21.384 -8.594 422 HB3 ARG 56 1HB ARG 56 11.323 20.522 -8.615 423 HG2 ARG 56 2HG ARG 56 13.400 20.192 -10.761 424 HG3 ARG 56 1HG ARG 56 13.372 19.217 -9.289 425 HD2 ARG 56 2HD ARG 56 10.986 18.634 -9.869 426 HD3 ARG 56 1HD ARG 56 11.274 19.382 -11.440 427 HE ARG 56 HE ARG 56 12.709 17.626 -12.005 428 HH11 ARG 56 1HH1 ARG 56 11.493 17.276 -8.728 429 HH12 ARG 56 2HH1 ARG 56 11.957 15.604 -8.616 430 HH21 ARG 56 1HH2 ARG 56 13.279 15.434 -11.858 431 HH22 ARG 56 2HH2 ARG 56 12.966 14.557 -10.384 432 H TYR 57 HN TYR 57 12.212 23.494 -8.244 433 HA TYR 57 HA TYR 57 11.277 24.840 -6.688 434 HB2 TYR 57 2HB TYR 57 10.698 26.038 -8.899 435 HB3 TYR 57 1HB TYR 57 9.061 25.442 -8.636 436 HD1 TYR 57 2HD TYR 57 11.751 27.155 -6.693 437 HD2 TYR 57 1HD TYR 57 7.600 26.902 -7.577 438 HE1 TYR 57 2HE TYR 57 11.324 29.049 -5.191 439 HE2 TYR 57 1HE TYR 57 7.160 28.805 -6.079 440 HH TYR 57 HH TYR 57 8.243 29.904 -4.114 441 H GLU 58 HN GLU 58 10.504 22.078 -6.738 442 HA GLU 58 HA GLU 58 7.727 21.885 -6.109 443 HB2 GLU 58 2HB GLU 58 8.525 19.580 -5.209 444 HB3 GLU 58 1HB GLU 58 8.581 19.896 -6.938 445 HG2 GLU 58 2HG GLU 58 10.979 20.480 -6.701 446 HG3 GLU 58 1HG GLU 58 10.882 20.008 -5.005 447 H LEU 59 HN LEU 59 7.510 23.523 -4.553 448 HA LEU 59 HA LEU 59 8.880 23.575 -2.106 449 HB2 LEU 59 2HB LEU 59 6.628 24.810 -1.415 450 HB3 LEU 59 1HB LEU 59 7.865 25.567 -2.394 451 HG LEU 59 HG LEU 59 6.494 24.765 -4.423 452 HD11 LEU 59 1HD1 LEU 59 4.369 24.566 -2.293 453 HD12 LEU 59 2HD1 LEU 59 5.022 23.224 -3.236 454 HD13 LEU 59 3HD1 LEU 59 4.106 24.501 -4.036 455 HD21 LEU 59 3HD2 LEU 59 6.704 27.094 -3.756 456 HD22 LEU 59 1HD2 LEU 59 5.397 26.888 -2.587 457 HD23 LEU 59 2HD2 LEU 59 5.067 26.743 -4.314 458 H THR 60 HN THR 60 5.861 22.000 -3.043 459 HA THR 60 HA THR 60 6.282 19.987 -1.044 460 HB THR 60 HB THR 60 3.691 20.414 -0.402 461 HG1 THR 60 1HG THR 60 4.730 23.045 -0.291 462 HG21 THR 60 3HG2 THR 60 4.483 21.306 1.731 463 HG22 THR 60 1HG2 THR 60 6.055 21.657 1.010 464 HG23 THR 60 2HG2 THR 60 5.512 19.986 1.175 465 H ALA 61 HN ALA 61 6.043 18.261 -2.284 466 HA ALA 61 HA ALA 61 3.883 18.229 -4.277 467 HB1 ALA 61 1HB ALA 61 5.075 16.389 -5.340 468 HB2 ALA 61 2HB ALA 61 6.286 16.420 -4.058 469 HB3 ALA 61 3HB ALA 61 6.128 17.792 -5.154 470 H ASP 62 HN ASP 62 5.514 15.936 -2.108 471 HA ASP 62 HA ASP 62 4.758 14.394 -0.642 472 HB2 ASP 62 2HB ASP 62 2.178 15.916 -0.977 473 HB3 ASP 62 1HB ASP 62 2.297 14.493 0.051 474 H ASP 63 HN ASP 63 4.460 12.318 -0.941 475 HA ASP 63 HA ASP 63 3.865 11.208 -3.409 476 HB2 ASP 63 2HB ASP 63 5.144 9.992 -1.745 477 HB3 ASP 63 1HB ASP 63 3.745 9.920 -0.677 478 H TYR 64 HN TYR 64 1.746 11.771 -0.649 479 HA TYR 64 HA TYR 64 -0.398 10.165 -1.369 480 HB2 TYR 64 2HB TYR 64 -0.276 11.231 0.812 481 HB3 TYR 64 1HB TYR 64 -0.440 12.823 0.077 482 HD1 TYR 64 1HD TYR 64 -2.222 9.600 0.582 483 HD2 TYR 64 2HD TYR 64 -2.567 13.747 -0.311 484 HE1 TYR 64 1HE TYR 64 -4.668 9.432 0.773 485 HE2 TYR 64 2HE TYR 64 -5.012 13.589 -0.125 486 HH TYR 64 HH TYR 64 -6.762 11.906 -0.296 487 H ARG 65 HN ARG 65 0.345 13.486 -2.383 488 HA ARG 65 HA ARG 65 -2.098 13.900 -3.748 489 HB2 ARG 65 2HB ARG 65 0.587 15.248 -3.940 490 HB3 ARG 65 1HB ARG 65 -0.829 15.785 -4.830 491 HG2 ARG 65 2HG ARG 65 -2.025 16.151 -2.744 492 HG3 ARG 65 1HG ARG 65 -0.633 15.565 -1.836 493 HD2 ARG 65 2HD ARG 65 0.697 17.424 -2.874 494 HD3 ARG 65 1HD ARG 65 -0.823 18.057 -3.512 495 HE ARG 65 HE ARG 65 -1.575 18.301 -1.194 496 HH11 ARG 65 1HH1 ARG 65 1.845 17.929 -1.796 497 HH12 ARG 65 2HH1 ARG 65 2.329 18.617 -0.279 498 HH21 ARG 65 1HH2 ARG 65 -0.953 19.192 0.824 499 HH22 ARG 65 2HH2 ARG 65 0.731 19.356 1.207 500 H ALA 66 HN ALA 66 1.054 12.713 -4.772 501 HA ALA 66 HA ALA 66 0.398 12.506 -7.536 502 HB1 ALA 66 1HB ALA 66 2.403 11.141 -7.721 503 HB2 ALA 66 2HB ALA 66 2.474 10.972 -5.966 504 HB3 ALA 66 3HB ALA 66 2.720 12.551 -6.711 505 H ALA 67 HN ALA 67 0.307 10.257 -4.811 506 HA ALA 67 HA ALA 67 -0.610 7.999 -6.214 507 HB1 ALA 67 1HB ALA 67 -1.346 7.171 -4.041 508 HB2 ALA 67 2HB ALA 67 -1.141 8.782 -3.350 509 HB3 ALA 67 3HB ALA 67 0.263 7.888 -3.934 510 H ASP 68 HN ASP 68 -2.290 10.690 -4.700 511 HA ASP 68 HA ASP 68 -4.923 9.813 -4.943 512 HB2 ASP 68 2HB ASP 68 -4.172 11.804 -3.660 513 HB3 ASP 68 1HB ASP 68 -3.887 12.645 -5.177 514 H ALA 69 HN ALA 69 -2.910 11.643 -7.213 515 HA ALA 69 HA ALA 69 -4.900 11.921 -9.203 516 HB1 ALA 69 1HB ALA 69 -1.899 11.965 -9.507 517 HB2 ALA 69 2HB ALA 69 -2.914 13.351 -9.112 518 HB3 ALA 69 3HB ALA 69 -3.070 12.562 -10.679 519 H ALA 70 HN ALA 70 -2.191 9.632 -8.878 520 HA ALA 70 HA ALA 70 -2.705 8.211 -11.265 521 HB1 ALA 70 1HB ALA 70 -1.303 7.236 -8.772 522 HB2 ALA 70 2HB ALA 70 -0.550 8.147 -10.080 523 HB3 ALA 70 3HB ALA 70 -1.184 6.530 -10.383 524 H ALA 71 HN ALA 71 -3.885 7.798 -7.965 525 HA ALA 71 HA ALA 71 -5.107 5.286 -8.329 526 HB1 ALA 71 1HB ALA 71 -6.424 5.810 -6.362 527 HB2 ALA 71 2HB ALA 71 -5.997 7.514 -6.500 528 HB3 ALA 71 3HB ALA 71 -4.755 6.324 -6.118 529 H GLN 72 HN GLN 72 -6.455 8.579 -8.542 530 HA GLN 72 HA GLN 72 -9.025 7.862 -9.356 531 HB2 GLN 72 2HB GLN 72 -7.520 10.267 -9.060 532 HB3 GLN 72 1HB GLN 72 -8.325 10.311 -10.622 533 HG2 GLN 72 2HG GLN 72 -9.681 11.340 -8.887 534 HG3 GLN 72 1HG GLN 72 -10.464 9.908 -9.559 535 HE21 GLN 72 1HE2 GLN 72 -11.752 9.593 -7.772 536 HE22 GLN 72 2HE2 GLN 72 -11.123 9.018 -6.264 537 H GLU 73 HN GLU 73 -6.109 8.504 -11.249 538 HA GLU 73 HA GLU 73 -7.131 8.277 -13.812 539 HB2 GLU 73 2HB GLU 73 -4.475 7.542 -12.617 540 HB3 GLU 73 1HB GLU 73 -4.791 7.379 -14.332 541 HG2 GLU 73 2HG GLU 73 -5.355 9.795 -14.391 542 HG3 GLU 73 1HG GLU 73 -4.842 9.899 -12.707 543 H GLN 74 HN GLN 74 -6.081 5.761 -11.596 544 HA GLN 74 HA GLN 74 -6.533 3.664 -13.525 545 HB2 GLN 74 2HB GLN 74 -5.723 3.640 -10.624 546 HB3 GLN 74 1HB GLN 74 -5.854 2.197 -11.614 547 HG2 GLN 74 2HG GLN 74 -4.089 2.915 -13.038 548 HG3 GLN 74 1HG GLN 74 -4.065 4.512 -12.295 549 HE21 GLN 74 1HE2 GLN 74 -4.341 3.480 -9.594 550 HE22 GLN 74 2HE2 GLN 74 -2.820 2.792 -9.183 551 H GLY 75 HN GLY 75 -8.598 5.400 -11.635 552 HA2 GLY 75 2HA GLY 75 -10.846 5.045 -11.173 553 HA3 GLY 75 1HA GLY 75 -10.683 3.424 -11.837 554 H LEU 76 HN LEU 76 -8.540 4.570 -9.391 555 HA LEU 76 HA LEU 76 -9.849 2.864 -7.381 556 HB2 LEU 76 2HB LEU 76 -6.877 3.222 -7.831 557 HB3 LEU 76 1HB LEU 76 -7.614 2.240 -6.584 558 HG LEU 76 HG LEU 76 -7.831 1.722 -9.549 559 HD11 LEU 76 1HD1 LEU 76 -6.338 -0.162 -9.116 560 HD12 LEU 76 2HD1 LEU 76 -6.185 0.337 -7.432 561 HD13 LEU 76 3HD1 LEU 76 -5.563 1.371 -8.719 562 HD21 LEU 76 3HD2 LEU 76 -9.768 0.926 -8.284 563 HD22 LEU 76 1HD2 LEU 76 -8.695 0.052 -7.190 564 HD23 LEU 76 2HD2 LEU 76 -8.793 -0.415 -8.888 565 H ASP 77 HN ASP 77 -8.700 3.416 -5.147 566 HA ASP 77 HA ASP 77 -7.900 6.208 -4.977 567 HB2 ASP 77 2HB ASP 77 -9.369 6.611 -3.032 568 HB3 ASP 77 1HB ASP 77 -10.278 6.325 -4.506 569 H VAL 78 HN VAL 78 -7.125 6.663 -2.640 570 HA VAL 78 HA VAL 78 -5.206 4.596 -2.022 571 HB VAL 78 HB VAL 78 -5.647 7.183 -0.519 572 HG11 VAL 78 1HG1 VAL 78 -3.302 6.902 0.134 573 HG12 VAL 78 2HG1 VAL 78 -3.241 5.376 -0.747 574 HG13 VAL 78 3HG1 VAL 78 -4.291 5.540 0.661 575 HG21 VAL 78 3HG2 VAL 78 -3.882 6.651 -2.906 576 HG22 VAL 78 1HG2 VAL 78 -3.840 8.111 -1.920 577 HG23 VAL 78 2HG2 VAL 78 -5.286 7.717 -2.849 578 H VAL 79 HN VAL 79 -5.767 2.922 -0.800 579 HA VAL 79 HA VAL 79 -7.905 3.294 1.179 580 HB VAL 79 HB VAL 79 -8.206 0.832 1.062 581 HG11 VAL 79 1HG1 VAL 79 -9.618 2.278 -0.267 582 HG12 VAL 79 2HG1 VAL 79 -9.246 0.813 -1.175 583 HG13 VAL 79 3HG1 VAL 79 -8.412 2.322 -1.554 584 HG21 VAL 79 3HG2 VAL 79 -6.203 1.015 -1.191 585 HG22 VAL 79 1HG2 VAL 79 -7.163 -0.407 -0.785 586 HG23 VAL 79 2HG2 VAL 79 -5.964 0.201 0.355 587 H GLY 80 HN GLY 80 -4.588 3.016 1.052 588 HA2 GLY 80 2HA GLY 80 -4.323 2.708 3.840 589 HA3 GLY 80 1HA GLY 80 -4.011 1.165 3.067 590 H VAL 81 HN VAL 81 -1.962 1.692 4.274 591 HA VAL 81 HA VAL 81 -0.058 2.918 2.392 592 HB VAL 81 HB VAL 81 0.284 3.292 5.358 593 HG11 VAL 81 1HG1 VAL 81 1.392 4.762 2.979 594 HG12 VAL 81 2HG1 VAL 81 2.250 3.607 3.998 595 HG13 VAL 81 3HG1 VAL 81 1.726 5.152 4.666 596 HG21 VAL 81 3HG2 VAL 81 -0.614 5.578 5.159 597 HG22 VAL 81 1HG2 VAL 81 -1.843 4.346 4.865 598 HG23 VAL 81 2HG2 VAL 81 -1.123 5.215 3.510 599 H TYR 82 HN TYR 82 2.160 2.073 2.721 600 HA TYR 82 HA TYR 82 2.339 -0.205 4.530 601 HB2 TYR 82 2HB TYR 82 3.132 -1.761 2.925 602 HB3 TYR 82 1HB TYR 82 1.664 -1.072 2.258 603 HD1 TYR 82 1HD TYR 82 1.770 0.422 0.303 604 HD2 TYR 82 2HD TYR 82 5.272 -1.415 1.878 605 HE1 TYR 82 1HE TYR 82 2.967 0.919 -1.788 606 HE2 TYR 82 2HE TYR 82 6.477 -0.910 -0.202 607 HH TYR 82 HH TYR 82 5.241 1.204 -2.587 608 H HIS 83 HN HIS 83 4.248 -0.440 5.483 609 HA HIS 83 HA HIS 83 6.632 0.712 4.333 610 HB2 HIS 83 2HB HIS 83 7.250 1.900 6.467 611 HB3 HIS 83 1HB HIS 83 5.972 2.655 5.533 612 HD1 HIS 83 1HD HIS 83 4.597 3.802 7.229 613 HD2 HIS 83 2HD HIS 83 5.574 -0.068 8.401 614 HE1 HIS 83 1HE HIS 83 3.350 3.408 9.369 615 HE2 HIS 83 2HE HIS 83 4.260 1.223 10.222 616 H SER 84 HN SER 84 8.585 -0.045 5.375 617 HA SER 84 HA SER 84 8.090 -2.713 6.480 618 HB2 SER 84 2HB SER 84 10.495 -3.089 5.667 619 HB3 SER 84 1HB SER 84 9.255 -2.882 4.430 620 HG SER 84 HG SER 84 11.445 -1.534 4.603 621 H HIS 85 HN HIS 85 9.542 -3.543 8.077 622 HA HIS 85 HA HIS 85 10.720 -1.443 9.768 623 HB2 HIS 85 2HB HIS 85 8.948 -3.727 10.485 624 HB3 HIS 85 1HB HIS 85 10.218 -3.289 11.620 625 HD1 HIS 85 1HD HIS 85 10.074 -0.892 12.687 626 HD2 HIS 85 2HD HIS 85 6.782 -2.019 10.406 627 HE1 HIS 85 1HE HIS 85 8.204 0.648 13.376 628 HE2 HIS 85 2HE HIS 85 6.288 0.083 11.837 629 HA PRO 86 HA PRO 86 14.218 -4.313 9.070 630 HB2 PRO 86 2HB PRO 86 16.102 -2.407 8.781 631 HB3 PRO 86 1HB PRO 86 15.086 -2.928 7.433 632 HG2 PRO 86 2HG PRO 86 14.848 -0.498 9.156 633 HG3 PRO 86 1HG PRO 86 14.616 -0.661 7.406 634 HD2 PRO 86 2HD PRO 86 12.560 -0.579 9.223 635 HD3 PRO 86 1HD PRO 86 12.450 -1.366 7.639 636 H ASP 87 HN ASP 87 13.187 -2.062 11.256 637 HA ASP 87 HA ASP 87 15.456 -2.187 13.069 638 HB2 ASP 87 2HB ASP 87 14.134 -0.614 14.438 639 HB3 ASP 87 1HB ASP 87 14.300 -0.045 12.779 640 H HIS 88 HN HIS 88 12.140 -3.337 12.821 641 HA HIS 88 HA HIS 88 12.668 -5.243 14.979 642 HB2 HIS 88 2HB HIS 88 10.289 -3.379 14.844 643 HB3 HIS 88 1HB HIS 88 10.310 -4.838 15.826 644 HD1 HIS 88 1HD HIS 88 11.530 -1.330 15.724 645 HD2 HIS 88 2HD HIS 88 12.060 -4.735 18.066 646 HE1 HIS 88 1HE HIS 88 12.617 -0.538 17.852 647 HE2 HIS 88 2HE HIS 88 13.121 -2.637 19.150 648 HA PRO 89 HA PRO 89 10.811 -7.994 12.066 649 HB2 PRO 89 2HB PRO 89 10.030 -9.671 14.354 650 HB3 PRO 89 1HB PRO 89 11.133 -10.030 13.023 651 HG2 PRO 89 2HG PRO 89 12.033 -9.602 15.512 652 HG3 PRO 89 1HG PRO 89 12.944 -9.067 14.088 653 HD2 PRO 89 2HD PRO 89 11.186 -7.470 15.920 654 HD3 PRO 89 1HD PRO 89 12.771 -7.051 15.232 655 H ALA 90 HN ALA 90 9.064 -6.850 11.364 656 HA ALA 90 HA ALA 90 6.878 -6.451 10.917 657 HB1 ALA 90 1HB ALA 90 6.311 -8.675 12.874 658 HB2 ALA 90 2HB ALA 90 6.613 -8.879 11.147 659 HB3 ALA 90 3HB ALA 90 5.181 -8.007 11.698 660 H ARG 91 HN ARG 91 4.644 -6.178 12.221 661 HA ARG 91 HA ARG 91 3.408 -4.804 13.461 662 HB2 ARG 91 2HB ARG 91 3.544 -4.961 15.816 663 HB3 ARG 91 1HB ARG 91 3.991 -6.520 15.156 664 HG2 ARG 91 2HG ARG 91 6.298 -4.843 15.620 665 HG3 ARG 91 1HG ARG 91 5.346 -5.085 17.084 666 HD2 ARG 91 2HD ARG 91 6.470 -7.221 15.276 667 HD3 ARG 91 1HD ARG 91 7.023 -6.819 16.900 668 HE ARG 91 HE ARG 91 4.334 -7.444 17.122 669 HH11 ARG 91 1HH1 ARG 91 7.286 -9.078 16.167 670 HH12 ARG 91 2HH1 ARG 91 6.710 -10.649 16.637 671 HH21 ARG 91 1HH2 ARG 91 3.564 -9.516 17.681 672 HH22 ARG 91 2HH2 ARG 91 4.592 -10.903 17.459 673 HA PRO 92 HA PRO 92 5.086 -0.764 13.599 674 HB2 PRO 92 2HB PRO 92 3.118 0.576 14.823 675 HB3 PRO 92 1HB PRO 92 2.877 -0.172 13.240 676 HG2 PRO 92 2HG PRO 92 2.004 -1.104 15.934 677 HG3 PRO 92 1HG PRO 92 1.153 -1.202 14.384 678 HD2 PRO 92 2HD PRO 92 2.571 -3.279 15.571 679 HD3 PRO 92 1HD PRO 92 2.133 -3.187 13.856 680 H SER 93 HN SER 93 6.121 0.746 14.842 681 HA SER 93 HA SER 93 6.487 0.084 17.677 682 HB2 SER 93 2HB SER 93 8.197 1.818 15.872 683 HB3 SER 93 1HB SER 93 8.595 1.297 17.512 684 HG SER 93 HG SER 93 8.118 -0.915 16.339 685 H ALA 94 HN ALA 94 7.328 2.441 18.744 686 HA ALA 94 HA ALA 94 4.840 3.706 19.193 687 HB1 ALA 94 1HB ALA 94 7.581 4.706 19.950 688 HB2 ALA 94 2HB ALA 94 6.627 3.549 20.877 689 HB3 ALA 94 3HB ALA 94 6.042 5.198 20.662 690 H THR 95 HN THR 95 7.754 4.872 17.480 691 HA THR 95 HA THR 95 6.518 7.357 16.782 692 HB THR 95 HB THR 95 8.972 6.097 15.538 693 HG1 THR 95 1HG THR 95 8.608 7.674 17.881 694 HG21 THR 95 3HG2 THR 95 8.081 7.991 14.267 695 HG22 THR 95 1HG2 THR 95 9.601 8.424 15.049 696 HG23 THR 95 2HG2 THR 95 8.071 8.978 15.729 697 H ASP 96 HN ASP 96 6.916 4.240 15.275 698 HA ASP 96 HA ASP 96 6.047 4.824 12.675 699 HB2 ASP 96 2HB ASP 96 7.023 2.641 13.623 700 HB3 ASP 96 1HB ASP 96 5.389 2.282 14.163 701 H LEU 97 HN LEU 97 4.282 4.081 15.634 702 HA LEU 97 HA LEU 97 1.673 4.241 14.519 703 HB2 LEU 97 2HB LEU 97 2.260 3.131 16.669 704 HB3 LEU 97 1HB LEU 97 2.582 4.702 17.367 705 HG LEU 97 HG LEU 97 -0.137 4.056 16.270 706 HD11 LEU 97 1HD1 LEU 97 0.877 3.415 19.035 707 HD12 LEU 97 2HD1 LEU 97 0.437 2.241 17.796 708 HD13 LEU 97 3HD1 LEU 97 -0.796 3.289 18.493 709 HD21 LEU 97 3HD2 LEU 97 -0.848 5.684 17.961 710 HD22 LEU 97 1HD2 LEU 97 0.339 6.384 16.860 711 HD23 LEU 97 2HD2 LEU 97 0.827 5.878 18.477 712 H GLU 98 HN GLU 98 3.866 6.570 15.998 713 HA GLU 98 HA GLU 98 2.056 8.671 16.348 714 HB2 GLU 98 2HB GLU 98 5.036 8.761 15.893 715 HB3 GLU 98 1HB GLU 98 4.066 10.136 16.408 716 HG2 GLU 98 2HG GLU 98 3.398 8.889 18.413 717 HG3 GLU 98 1HG GLU 98 4.425 7.549 17.905 718 H GLU 99 HN GLU 99 4.021 7.826 13.511 719 HA GLU 99 HA GLU 99 3.190 10.218 12.134 720 HB2 GLU 99 2HB GLU 99 4.350 9.211 10.165 721 HB3 GLU 99 1HB GLU 99 5.362 9.421 11.586 722 HG2 GLU 99 2HG GLU 99 5.070 7.039 12.113 723 HG3 GLU 99 1HG GLU 99 4.124 6.857 10.637 724 H ALA 100 HN ALA 100 1.783 7.226 12.721 725 HA ALA 100 HA ALA 100 0.213 7.066 10.319 726 HB1 ALA 100 1HB ALA 100 -0.181 5.715 12.991 727 HB2 ALA 100 2HB ALA 100 0.699 5.053 11.613 728 HB3 ALA 100 3HB ALA 100 -1.039 5.325 11.501 729 H THR 101 HN THR 101 -0.986 8.827 9.951 730 HA THR 101 HA THR 101 -2.929 9.628 12.012 731 HB THR 101 HB THR 101 -1.649 11.606 10.149 732 HG1 THR 101 1HG THR 101 -0.067 10.504 11.554 733 HG21 THR 101 3HG2 THR 101 -3.010 11.897 12.833 734 HG22 THR 101 1HG2 THR 101 -3.719 12.298 11.268 735 HG23 THR 101 2HG2 THR 101 -2.343 13.218 11.875 736 H PHE 102 HN PHE 102 -3.117 7.860 9.687 737 HA PHE 102 HA PHE 102 -5.033 9.384 8.046 738 HB2 PHE 102 2HB PHE 102 -3.541 6.870 7.262 739 HB3 PHE 102 1HB PHE 102 -4.600 7.822 6.230 740 HD1 PHE 102 1HD PHE 102 -3.882 10.072 5.472 741 HD2 PHE 102 2HD PHE 102 -1.279 7.470 7.611 742 HE1 PHE 102 1HE PHE 102 -1.944 11.394 4.722 743 HE2 PHE 102 2HE PHE 102 0.658 8.788 6.869 744 HZ PHE 102 HZ PHE 102 0.329 10.752 5.423 745 HA PRO 103 HA PRO 103 -7.559 6.394 10.483 746 HB2 PRO 103 2HB PRO 103 -9.636 8.438 10.086 747 HB3 PRO 103 1HB PRO 103 -9.030 7.734 11.588 748 HG2 PRO 103 2HG PRO 103 -8.483 10.270 10.901 749 HG3 PRO 103 1HG PRO 103 -7.310 9.261 11.768 750 HD2 PRO 103 2HD PRO 103 -7.429 9.944 8.850 751 HD3 PRO 103 1HD PRO 103 -6.024 9.891 9.937 752 H GLY 104 HN GLY 104 -8.483 4.771 9.434 753 HA2 GLY 104 2HA GLY 104 -10.283 3.908 8.096 754 HA3 GLY 104 1HA GLY 104 -10.185 5.360 7.106 755 H PHE 105 HN PHE 105 -7.109 4.804 7.518 756 HA PHE 105 HA PHE 105 -6.871 3.223 5.072 757 HB2 PHE 105 2HB PHE 105 -4.880 4.948 6.564 758 HB3 PHE 105 1HB PHE 105 -4.492 4.026 5.118 759 HD1 PHE 105 2HD PHE 105 -6.974 6.567 6.290 760 HD2 PHE 105 1HD PHE 105 -4.565 5.104 3.101 761 HE1 PHE 105 2HE PHE 105 -7.677 8.464 4.892 762 HE2 PHE 105 1HE PHE 105 -5.265 7.000 1.703 763 HZ PHE 105 HZ PHE 105 -6.821 8.682 2.596 764 H THR 106 HN THR 106 -5.841 1.280 5.001 765 HA THR 106 HA THR 106 -5.218 0.037 7.564 766 HB THR 106 HB THR 106 -5.403 -1.183 4.797 767 HG1 THR 106 1HG THR 106 -7.239 -0.639 6.801 768 HG21 THR 106 3HG2 THR 106 -5.395 -3.336 5.941 769 HG22 THR 106 1HG2 THR 106 -5.211 -2.529 7.499 770 HG23 THR 106 2HG2 THR 106 -3.916 -2.447 6.304 771 H TYR 107 HN TYR 107 -3.205 -0.427 8.210 772 HA TYR 107 HA TYR 107 -1.031 0.420 6.438 773 HB2 TYR 107 2HB TYR 107 -1.098 0.020 9.436 774 HB3 TYR 107 1HB TYR 107 0.325 0.507 8.521 775 HD1 TYR 107 1HD TYR 107 0.437 2.742 7.494 776 HD2 TYR 107 2HD TYR 107 -2.872 1.581 9.909 777 HE1 TYR 107 1HE TYR 107 -0.229 5.099 7.713 778 HE2 TYR 107 2HE TYR 107 -3.542 3.936 10.130 779 HH TYR 107 HH TYR 107 -2.352 6.372 8.180 780 H VAL 108 HN VAL 108 -0.130 -1.159 5.339 781 HA VAL 108 HA VAL 108 0.077 -3.827 6.512 782 HB VAL 108 HB VAL 108 0.748 -2.871 3.717 783 HG11 VAL 108 1HG1 VAL 108 2.158 -4.756 4.386 784 HG12 VAL 108 2HG1 VAL 108 0.987 -5.241 3.160 785 HG13 VAL 108 3HG1 VAL 108 0.723 -5.673 4.849 786 HG21 VAL 108 3HG2 VAL 108 -1.230 -4.137 3.046 787 HG22 VAL 108 1HG2 VAL 108 -1.645 -2.856 4.182 788 HG23 VAL 108 2HG2 VAL 108 -1.558 -4.529 4.733 789 H ILE 109 HN ILE 109 1.801 -4.379 7.541 790 HA ILE 109 HA ILE 109 4.273 -2.860 7.099 791 HB ILE 109 HB ILE 109 3.286 -4.299 9.566 792 HG12 ILE 109 2HG1 ILE 109 3.887 -1.377 9.046 793 HG13 ILE 109 1HG1 ILE 109 2.279 -2.084 9.122 794 HG21 ILE 109 1HG2 ILE 109 5.680 -4.637 9.330 795 HG22 ILE 109 2HG2 ILE 109 5.344 -3.522 10.654 796 HG23 ILE 109 3HG2 ILE 109 5.921 -2.904 9.107 797 HD11 ILE 109 3HD1 ILE 109 2.855 -0.928 11.183 798 HD12 ILE 109 1HD1 ILE 109 4.255 -1.980 11.388 799 HD13 ILE 109 2HD1 ILE 109 2.625 -2.653 11.461 800 H VAL 110 HN VAL 110 5.765 -3.921 6.054 801 HA VAL 110 HA VAL 110 5.744 -6.850 6.133 802 HB VAL 110 HB VAL 110 5.589 -6.002 3.876 803 HG11 VAL 110 1HG1 VAL 110 7.333 -4.601 2.876 804 HG12 VAL 110 2HG1 VAL 110 8.110 -4.454 4.453 805 HG13 VAL 110 3HG1 VAL 110 6.501 -3.780 4.197 806 HG21 VAL 110 3HG2 VAL 110 7.587 -7.026 2.866 807 HG22 VAL 110 1HG2 VAL 110 6.904 -8.012 4.160 808 HG23 VAL 110 2HG2 VAL 110 8.356 -7.056 4.455 809 H SER 111 HN SER 111 7.306 -7.902 7.113 810 HA SER 111 HA SER 111 9.339 -6.380 8.480 811 HB2 SER 111 2HB SER 111 8.100 -8.336 9.497 812 HB3 SER 111 1HB SER 111 8.982 -9.386 8.390 813 HG SER 111 HG SER 111 10.141 -9.354 10.269 814 H VAL 112 HN VAL 112 10.916 -5.676 7.206 815 HA VAL 112 HA VAL 112 12.313 -7.672 5.557 816 HB VAL 112 HB VAL 112 12.104 -4.700 4.995 817 HG11 VAL 112 1HG1 VAL 112 13.304 -5.189 2.936 818 HG12 VAL 112 2HG1 VAL 112 13.421 -6.888 3.392 819 HG13 VAL 112 3HG1 VAL 112 14.260 -5.663 4.341 820 HG21 VAL 112 3HG2 VAL 112 10.870 -7.044 3.551 821 HG22 VAL 112 1HG2 VAL 112 10.843 -5.372 2.991 822 HG23 VAL 112 2HG2 VAL 112 10.013 -5.817 4.483 823 H ARG 113 HN ARG 113 14.175 -8.148 6.452 824 HA ARG 113 HA ARG 113 15.306 -6.249 8.363 825 HB2 ARG 113 2HB ARG 113 15.744 -9.199 7.914 826 HB3 ARG 113 1HB ARG 113 16.721 -8.244 9.028 827 HG2 ARG 113 2HG ARG 113 14.996 -7.935 10.506 828 HG3 ARG 113 1HG ARG 113 13.758 -8.114 9.264 829 HD2 ARG 113 2HD ARG 113 13.732 -10.003 10.788 830 HD3 ARG 113 1HD ARG 113 14.194 -10.510 9.166 831 HE ARG 113 HE ARG 113 16.522 -9.975 10.633 832 HH11 ARG 113 1HH1 ARG 113 13.828 -12.218 10.659 833 HH12 ARG 113 2HH1 ARG 113 14.790 -13.563 11.214 834 HH21 ARG 113 1HH2 ARG 113 17.774 -11.720 11.410 835 HH22 ARG 113 2HH2 ARG 113 17.036 -13.276 11.638 836 H ASP 114 HN ASP 114 15.875 -4.910 6.612 837 HA ASP 114 HA ASP 114 17.290 -3.949 5.141 838 HB2 ASP 114 2HB ASP 114 18.723 -4.194 7.211 839 HB3 ASP 114 1HB ASP 114 19.442 -5.603 6.447 840 H GLY 115 HN GLY 115 16.025 -5.537 3.692 841 HA2 GLY 115 2HA GLY 115 16.561 -6.200 1.444 842 HA3 GLY 115 1HA GLY 115 18.060 -6.881 2.048 843 H ALA 116 HN ALA 116 16.584 -8.084 4.360 844 HA ALA 116 HA ALA 116 15.801 -10.503 2.922 845 HB1 ALA 116 1HB ALA 116 17.467 -10.701 4.699 846 HB2 ALA 116 2HB ALA 116 16.016 -11.635 5.064 847 HB3 ALA 116 3HB ALA 116 16.294 -10.087 5.866 848 HA PRO 117 HA PRO 117 11.512 -9.375 3.806 849 HB2 PRO 117 2HB PRO 117 10.831 -11.538 1.986 850 HB3 PRO 117 1HB PRO 117 10.565 -9.805 1.791 851 HG2 PRO 117 2HG PRO 117 12.340 -11.210 0.287 852 HG3 PRO 117 1HG PRO 117 12.538 -9.493 0.674 853 HD2 PRO 117 2HD PRO 117 13.845 -11.881 1.929 854 HD3 PRO 117 1HD PRO 117 14.547 -10.305 1.504 855 H GLU 118 HN GLU 118 10.886 -10.100 5.733 856 HA GLU 118 HA GLU 118 11.252 -12.900 6.443 857 HB2 GLU 118 2HB GLU 118 11.985 -11.122 7.981 858 HB3 GLU 118 1HB GLU 118 10.330 -10.550 8.102 859 HG2 GLU 118 2HG GLU 118 9.666 -12.665 9.115 860 HG3 GLU 118 1HG GLU 118 11.327 -13.245 8.989 861 H ALA 119 HN ALA 119 8.587 -10.602 7.084 862 HA ALA 119 HA ALA 119 6.658 -12.506 6.055 863 HB1 ALA 119 1HB ALA 119 7.069 -13.324 8.327 864 HB2 ALA 119 2HB ALA 119 5.421 -12.720 8.138 865 HB3 ALA 119 3HB ALA 119 6.629 -11.741 8.972 866 H LEU 120 HN LEU 120 4.490 -11.677 5.993 867 HA LEU 120 HA LEU 120 4.372 -8.744 5.926 868 HB2 LEU 120 2HB LEU 120 2.795 -10.906 4.559 869 HB3 LEU 120 1HB LEU 120 2.177 -9.270 4.666 870 HG LEU 120 HG LEU 120 4.842 -9.930 3.421 871 HD11 LEU 120 1HD1 LEU 120 3.085 -11.092 2.191 872 HD12 LEU 120 2HD1 LEU 120 3.724 -9.739 1.256 873 HD13 LEU 120 3HD1 LEU 120 2.168 -9.593 2.073 874 HD21 LEU 120 3HD2 LEU 120 4.576 -7.730 2.398 875 HD22 LEU 120 1HD2 LEU 120 4.551 -7.624 4.159 876 HD23 LEU 120 2HD2 LEU 120 3.044 -7.517 3.248 877 H THR 121 HN THR 121 2.923 -7.620 7.168 878 HA THR 121 HA THR 121 0.862 -9.118 8.611 879 HB THR 121 HB THR 121 1.348 -7.721 10.670 880 HG1 THR 121 1HG THR 121 3.382 -6.861 9.025 881 HG21 THR 121 3HG2 THR 121 3.137 -9.184 11.484 882 HG22 THR 121 1HG2 THR 121 3.461 -9.704 9.830 883 HG23 THR 121 2HG2 THR 121 1.915 -10.089 10.588 884 H ALA 122 HN ALA 122 -1.058 -8.066 8.586 885 HA ALA 122 HA ALA 122 -1.020 -5.279 7.648 886 HB1 ALA 122 1HB ALA 122 -3.218 -7.335 7.385 887 HB2 ALA 122 2HB ALA 122 -2.141 -6.798 6.096 888 HB3 ALA 122 3HB ALA 122 -3.292 -5.669 6.810 889 H TRP 123 HN TRP 123 -2.041 -3.730 8.773 890 HA TRP 123 HA TRP 123 -3.284 -4.540 11.313 891 HB2 TRP 123 2HB TRP 123 -1.290 -2.296 10.949 892 HB3 TRP 123 1HB TRP 123 -2.040 -2.794 12.463 893 HD1 TRP 123 1HD TRP 123 0.659 -3.870 9.960 894 HE1 TRP 123 1HE TRP 123 2.153 -5.646 11.085 895 HE3 TRP 123 3HE TRP 123 -2.050 -4.615 14.225 896 HZ2 TRP 123 2HZ TRP 123 2.167 -7.167 13.467 897 HZ3 TRP 123 3HZ TRP 123 -1.250 -6.252 15.864 898 HH2 TRP 123 2HH TRP 123 0.830 -7.499 15.499 899 H ALA 124 HN ALA 124 -5.044 -3.423 11.896 900 HA ALA 124 HA ALA 124 -5.838 -1.167 10.191 901 HB1 ALA 124 1HB ALA 124 -7.406 -3.048 10.249 902 HB2 ALA 124 2HB ALA 124 -8.114 -1.596 10.959 903 HB3 ALA 124 3HB ALA 124 -7.528 -2.892 12.000 904 H LEU 125 HN LEU 125 -6.194 0.806 11.054 905 HA LEU 125 HA LEU 125 -5.156 1.225 13.745 906 HB2 LEU 125 2HB LEU 125 -4.304 2.612 11.912 907 HB3 LEU 125 1HB LEU 125 -5.927 3.165 11.557 908 HG LEU 125 HG LEU 125 -6.004 4.244 13.800 909 HD11 LEU 125 1HD1 LEU 125 -3.078 3.519 13.875 910 HD12 LEU 125 2HD1 LEU 125 -4.338 2.869 14.926 911 HD13 LEU 125 3HD1 LEU 125 -3.913 4.579 15.013 912 HD21 LEU 125 3HD2 LEU 125 -4.565 6.121 13.192 913 HD22 LEU 125 1HD2 LEU 125 -5.461 5.523 11.797 914 HD23 LEU 125 2HD2 LEU 125 -3.756 5.118 11.989 915 H ALA 126 HN ALA 126 -6.335 1.938 15.442 916 HA ALA 126 HA ALA 126 -9.147 1.747 15.464 917 HB1 ALA 126 1HB ALA 126 -7.816 1.501 17.488 918 HB2 ALA 126 2HB ALA 126 -9.008 2.786 17.681 919 HB3 ALA 126 3HB ALA 126 -7.317 3.188 17.386 920 HA PRO 127 HA PRO 127 -10.347 5.494 13.463 921 HB2 PRO 127 2HB PRO 127 -12.715 5.963 14.795 922 HB3 PRO 127 1HB PRO 127 -12.524 4.829 13.455 923 HG2 PRO 127 2HG PRO 127 -12.550 4.300 16.396 924 HG3 PRO 127 1HG PRO 127 -13.301 3.374 15.083 925 HD2 PRO 127 2HD PRO 127 -11.014 2.571 16.230 926 HD3 PRO 127 1HD PRO 127 -11.298 2.357 14.490 927 H ASP 128 HN ASP 128 -10.127 5.327 16.930 928 HA ASP 128 HA ASP 128 -10.297 8.192 17.305 929 HB2 ASP 128 2HB ASP 128 -11.186 6.589 18.981 930 HB3 ASP 128 1HB ASP 128 -9.551 6.006 19.266 931 H ARG 129 HN ARG 129 -7.967 6.095 16.254 932 HA ARG 129 HA ARG 129 -5.722 6.113 16.003 933 HB2 ARG 129 2HB ARG 129 -6.308 8.490 15.246 934 HB3 ARG 129 1HB ARG 129 -5.760 9.020 16.824 935 HG2 ARG 129 2HG ARG 129 -4.016 7.466 14.931 936 HG3 ARG 129 1HG ARG 129 -4.112 9.224 14.928 937 HD2 ARG 129 2HD ARG 129 -3.539 9.048 17.430 938 HD3 ARG 129 1HD ARG 129 -3.050 7.396 17.058 939 HE ARG 129 HE ARG 129 -1.732 8.915 15.219 940 HH11 ARG 129 1HH1 ARG 129 -1.884 8.793 18.716 941 HH12 ARG 129 2HH1 ARG 129 -0.336 9.539 18.940 942 HH21 ARG 129 1HH2 ARG 129 0.312 9.919 15.517 943 HH22 ARG 129 2HH2 ARG 129 0.908 10.184 17.129 944 H SER 130 HN SER 130 -5.582 4.704 17.777 945 HA SER 130 HA SER 130 -4.192 5.881 20.066 946 HB2 SER 130 2HB SER 130 -5.425 4.237 21.542 947 HB3 SER 130 1HB SER 130 -6.413 5.546 20.896 948 HG SER 130 HG SER 130 -7.049 3.103 20.751 949 H GLU 131 HN GLU 131 -5.187 2.745 18.690 950 HA GLU 131 HA GLU 131 -2.390 1.895 18.760 951 HB2 GLU 131 2HB GLU 131 -2.994 -0.273 19.729 952 HB3 GLU 131 1HB GLU 131 -3.412 1.036 20.828 953 HG2 GLU 131 2HG GLU 131 -5.724 0.869 20.246 954 HG3 GLU 131 1HG GLU 131 -5.371 -0.289 18.971 955 H PHE 132 HN PHE 132 -2.314 -0.396 17.742 956 HA PHE 132 HA PHE 132 -3.993 -0.417 15.325 957 HB2 PHE 132 2HB PHE 132 -1.183 -1.442 15.782 958 HB3 PHE 132 1HB PHE 132 -2.130 -1.828 14.352 959 HD1 PHE 132 1HD PHE 132 -2.571 -0.155 12.667 960 HD2 PHE 132 2HD PHE 132 -0.265 0.764 16.121 961 HE1 PHE 132 1HE PHE 132 -1.764 1.895 11.576 962 HE2 PHE 132 2HE PHE 132 0.539 2.822 15.039 963 HZ PHE 132 HZ PHE 132 -0.210 3.388 12.764 964 H HIS 133 HN HIS 133 -4.967 -2.345 14.737 965 HA HIS 133 HA HIS 133 -4.528 -4.577 16.577 966 HB2 HIS 133 2HB HIS 133 -6.975 -5.214 15.959 967 HB3 HIS 133 1HB HIS 133 -6.663 -4.048 17.232 968 HD1 HIS 133 1HD HIS 133 -8.409 -4.478 14.025 969 HD2 HIS 133 2HD HIS 133 -7.174 -1.344 16.454 970 HE1 HIS 133 1HE HIS 133 -9.776 -2.494 13.310 971 HE2 HIS 133 2HE HIS 133 -9.224 -0.705 14.996 972 H ARG 134 HN ARG 134 -4.281 -6.536 15.755 973 HA ARG 134 HA ARG 134 -3.264 -6.803 13.176 974 HB2 ARG 134 2HB ARG 134 -2.620 -8.312 14.939 975 HB3 ARG 134 1HB ARG 134 -4.276 -8.859 15.137 976 HG2 ARG 134 2HG ARG 134 -3.157 -10.563 13.980 977 HG3 ARG 134 1HG ARG 134 -4.148 -9.727 12.793 978 HD2 ARG 134 2HD ARG 134 -2.164 -8.445 12.081 979 HD3 ARG 134 1HD ARG 134 -1.188 -9.381 13.215 980 HE ARG 134 HE ARG 134 -2.644 -10.589 10.943 981 HH11 ARG 134 1HH1 ARG 134 0.175 -10.394 13.029 982 HH12 ARG 134 2HH1 ARG 134 1.020 -11.673 12.207 983 HH21 ARG 134 1HH2 ARG 134 -1.527 -12.277 9.880 984 HH22 ARG 134 2HH2 ARG 134 0.070 -12.717 10.414 985 H GLU 135 HN GLU 135 -4.080 -7.479 11.267 986 HA GLU 135 HA GLU 135 -6.954 -8.089 11.164 987 HB2 GLU 135 2HB GLU 135 -6.337 -5.767 10.365 988 HB3 GLU 135 1HB GLU 135 -5.429 -6.530 9.069 989 HG2 GLU 135 2HG GLU 135 -7.716 -5.741 8.447 990 HG3 GLU 135 1HG GLU 135 -7.398 -7.444 8.115 991 H ASP 136 HN ASP 136 -7.555 -9.297 9.153 992 HA ASP 136 HA ASP 136 -5.482 -11.323 8.661 993 HB2 ASP 136 2HB ASP 136 -8.459 -11.405 8.789 994 HB3 ASP 136 1HB ASP 136 -7.646 -12.552 7.726 995 H ILE 137 HN ILE 137 -5.034 -12.080 6.629 996 HA ILE 137 HA ILE 137 -5.723 -10.292 4.410 997 HB ILE 137 HB ILE 137 -3.648 -12.492 4.574 998 HG12 ILE 137 2HG1 ILE 137 -3.080 -10.577 5.988 999 HG13 ILE 137 1HG1 ILE 137 -2.008 -10.658 4.599 1000 HG21 ILE 137 1HG2 ILE 137 -4.175 -10.465 2.408 1001 HG22 ILE 137 2HG2 ILE 137 -4.455 -12.203 2.304 1002 HG23 ILE 137 3HG2 ILE 137 -2.810 -11.581 2.452 1003 HD11 ILE 137 3HD1 ILE 137 -2.702 -8.371 5.112 1004 HD12 ILE 137 1HD1 ILE 137 -4.382 -8.828 4.839 1005 HD13 ILE 137 2HD1 ILE 137 -3.227 -8.877 3.504 1006 H VAL 138 HN VAL 138 -7.417 -10.895 3.203 1007 HA VAL 138 HA VAL 138 -7.902 -13.784 2.870 1008 HB VAL 138 HB VAL 138 -10.148 -11.890 2.499 1009 HG11 VAL 138 1HG1 VAL 138 -11.447 -13.781 3.347 1010 HG12 VAL 138 2HG1 VAL 138 -9.950 -14.669 3.642 1011 HG13 VAL 138 3HG1 VAL 138 -10.416 -14.249 1.992 1012 HG21 VAL 138 3HG2 VAL 138 -9.262 -12.808 5.235 1013 HG22 VAL 138 1HG2 VAL 138 -10.749 -11.935 4.868 1014 HG23 VAL 138 2HG2 VAL 138 -9.186 -11.150 4.641 1015 H ARG 139 HN ARG 139 -8.830 -14.410 0.896 1016 HA ARG 139 HA ARG 139 -8.000 -12.758 -1.358 1017 HB2 ARG 139 2HB ARG 139 -8.566 -15.696 -1.026 1018 HB3 ARG 139 1HB ARG 139 -8.451 -14.955 -2.613 1019 HG2 ARG 139 2HG ARG 139 -6.177 -14.288 -2.197 1020 HG3 ARG 139 1HG ARG 139 -6.281 -14.863 -0.533 1021 HD2 ARG 139 2HD ARG 139 -6.669 -16.655 -2.919 1022 HD3 ARG 139 1HD ARG 139 -5.098 -16.391 -2.163 1023 HE ARG 139 HE ARG 139 -7.183 -17.234 -0.344 1024 HH11 ARG 139 1HH1 ARG 139 -4.729 -18.310 -2.591 1025 HH12 ARG 139 2HH1 ARG 139 -4.462 -19.825 -1.783 1026 HH21 ARG 139 1HH2 ARG 139 -6.823 -19.221 0.744 1027 HH22 ARG 139 2HH2 ARG 139 -5.638 -20.336 0.129 1028 HA PRO 140 HA PRO 140 -12.172 -11.649 -2.150 1029 HB2 PRO 140 2HB PRO 140 -11.430 -11.351 -4.971 1030 HB3 PRO 140 1HB PRO 140 -11.947 -10.125 -3.811 1031 HG2 PRO 140 2HG PRO 140 -9.408 -10.278 -4.699 1032 HG3 PRO 140 1HG PRO 140 -9.805 -9.746 -3.055 1033 HD2 PRO 140 2HD PRO 140 -8.799 -12.400 -3.999 1034 HD3 PRO 140 1HD PRO 140 -8.368 -11.478 -2.544 1035 H ASP 141 HN ASP 141 -13.510 -13.383 -2.009 1036 HA ASP 141 HA ASP 141 -13.694 -15.308 -4.169 1037 HB2 ASP 141 2HB ASP 141 -15.464 -14.894 -1.740 1038 HB3 ASP 141 1HB ASP 141 -15.618 -16.220 -2.885 1039 HA PRO 142 HA PRO 142 -16.204 -12.122 -6.083 1040 HB2 PRO 142 2HB PRO 142 -15.823 -12.821 -8.631 1041 HB3 PRO 142 1HB PRO 142 -14.513 -12.133 -7.664 1042 HG2 PRO 142 2HG PRO 142 -15.022 -14.979 -8.412 1043 HG3 PRO 142 1HG PRO 142 -13.486 -14.102 -8.317 1044 HD2 PRO 142 2HD PRO 142 -14.490 -15.791 -6.352 1045 HD3 PRO 142 1HD PRO 142 -13.246 -14.553 -6.102 1046 H GLU 143 HN GLU 143 -17.564 -14.365 -4.974 1047 HA GLU 143 HA GLU 143 -19.620 -14.778 -7.039 1048 HB2 GLU 143 2HB GLU 143 -18.862 -16.653 -4.796 1049 HB3 GLU 143 1HB GLU 143 -20.210 -16.891 -5.900 1050 HG2 GLU 143 2HG GLU 143 -18.597 -16.911 -7.781 1051 HG3 GLU 143 1HG GLU 143 -17.287 -16.837 -6.604 1052 H ALA 144 HN ALA 144 -18.882 -13.536 -3.969 1053 HA ALA 144 HA ALA 144 -21.504 -13.706 -2.835 1054 HB1 ALA 144 1HB ALA 144 -19.515 -13.517 -1.420 1055 HB2 ALA 144 2HB ALA 144 -20.640 -12.193 -1.122 1056 HB3 ALA 144 3HB ALA 144 -19.191 -11.917 -2.088 1057 HA PRO 145 HA PRO 145 -23.257 -10.399 -5.255 1058 HB2 PRO 145 2HB PRO 145 -25.333 -10.356 -3.171 1059 HB3 PRO 145 1HB PRO 145 -25.486 -10.676 -4.901 1060 HG2 PRO 145 2HG PRO 145 -25.747 -12.625 -3.066 1061 HG3 PRO 145 1HG PRO 145 -25.034 -12.923 -4.663 1062 HD2 PRO 145 2HD PRO 145 -23.684 -12.577 -2.017 1063 HD3 PRO 145 1HD PRO 145 -23.293 -13.686 -3.348 1064 H LEU 146 HN LEU 146 -23.036 -8.262 -5.179 1065 HA LEU 146 HA LEU 146 -22.142 -7.047 -2.693 1066 HB2 LEU 146 2HB LEU 146 -22.192 -6.049 -5.539 1067 HB3 LEU 146 1HB LEU 146 -21.603 -5.115 -4.183 1068 HG LEU 146 HG LEU 146 -20.428 -7.696 -5.187 1069 HD11 LEU 146 1HD1 LEU 146 -19.983 -5.798 -6.645 1070 HD12 LEU 146 2HD1 LEU 146 -18.519 -6.320 -5.812 1071 HD13 LEU 146 3HD1 LEU 146 -19.375 -4.877 -5.268 1072 HD21 LEU 146 3HD2 LEU 146 -19.485 -5.895 -2.962 1073 HD22 LEU 146 1HD2 LEU 146 -18.680 -7.354 -3.542 1074 HD23 LEU 146 2HD2 LEU 146 -20.250 -7.470 -2.748 1075 H GLU 147 HN GLU 147 -22.921 -4.377 -3.191 1076 HA GLU 147 HA GLU 147 -25.396 -4.292 -1.938 1077 HB2 GLU 147 2HB GLU 147 -23.488 -2.426 -2.761 1078 HB3 GLU 147 1HB GLU 147 -24.972 -1.939 -3.571 1079 HG2 GLU 147 2HG GLU 147 -24.535 -2.295 -0.617 1080 HG3 GLU 147 1HG GLU 147 -24.846 -0.793 -1.488 1081 H HIS 148 HN HIS 148 -27.489 -3.838 -2.632 1082 HA HIS 148 HA HIS 148 -28.023 -5.110 -5.200 1083 HB2 HIS 148 2HB HIS 148 -29.872 -4.428 -2.908 1084 HB3 HIS 148 1HB HIS 148 -30.343 -5.312 -4.354 1085 HD1 HIS 148 1HD HIS 148 -30.661 -7.675 -3.695 1086 HD2 HIS 148 2HD HIS 148 -27.342 -5.995 -1.834 1087 HE1 HIS 148 1HE HIS 148 -29.609 -9.534 -2.365 1088 HE2 HIS 148 2HE HIS 148 -27.753 -8.427 -1.065 1089 H HIS 149 HN HIS 149 -27.459 -2.064 -4.383 1090 HA HIS 149 HA HIS 149 -29.628 -0.613 -5.452 1091 HB2 HIS 149 2HB HIS 149 -26.807 -0.032 -4.785 1092 HB3 HIS 149 1HB HIS 149 -27.536 1.016 -5.999 1093 HD1 HIS 149 1HD HIS 149 -28.040 -0.081 -2.403 1094 HD2 HIS 149 2HD HIS 149 -29.213 2.936 -5.022 1095 HE1 HIS 149 1HE HIS 149 -29.247 1.624 -0.992 1096 HE2 HIS 149 2HE HIS 149 -29.739 3.534 -2.565 1097 H HIS 150 HN HIS 150 -29.880 0.393 -7.480 1098 HA HIS 150 HA HIS 150 -28.758 -1.214 -9.665 1099 HB2 HIS 150 2HB HIS 150 -31.241 -1.125 -9.380 1100 HB3 HIS 150 1HB HIS 150 -31.178 0.605 -9.685 1101 HD1 HIS 150 1HD HIS 150 -31.784 1.175 -11.996 1102 HD2 HIS 150 2HD HIS 150 -29.967 -2.563 -11.759 1103 HE1 HIS 150 1HE HIS 150 -31.772 0.271 -14.346 1104 HE2 HIS 150 2HE HIS 150 -30.536 -1.920 -14.202 1105 H HIS 151 HN HIS 151 -27.336 -0.344 -11.021 1106 HA HIS 151 HA HIS 151 -26.502 2.390 -10.581 1107 HB2 HIS 151 2HB HIS 151 -25.410 0.134 -12.246 1108 HB3 HIS 151 1HB HIS 151 -24.759 1.764 -12.358 1109 HD1 HIS 151 1HD HIS 151 -24.258 -1.315 -10.622 1110 HD2 HIS 151 2HD HIS 151 -23.896 2.712 -9.647 1111 HE1 HIS 151 1HE HIS 151 -22.762 -1.236 -8.596 1112 HE2 HIS 151 2HE HIS 151 -22.613 1.210 -7.978 1113 H HIS 152 HN HIS 152 -26.235 3.951 -12.188 1114 HA HIS 152 HA HIS 152 -26.926 3.877 -14.850 1115 HB2 HIS 152 2HB HIS 152 -29.256 3.351 -13.913 1116 HB3 HIS 152 1HB HIS 152 -29.265 4.997 -13.290 1117 HD1 HIS 152 1HD HIS 152 -30.715 6.357 -14.757 1118 HD2 HIS 152 2HD HIS 152 -28.401 3.675 -16.936 1119 HE1 HIS 152 1HE HIS 152 -31.253 6.801 -17.172 1120 HE2 HIS 152 2HE HIS 152 -29.994 5.038 -18.459 1121 H HIS 153 HN HIS 153 -26.983 5.619 -11.832 1122 HA HIS 153 HA HIS 153 -25.986 8.036 -13.178 1123 HB2 HIS 153 2HB HIS 153 -27.180 7.581 -10.450 1124 HB3 HIS 153 1HB HIS 153 -26.260 9.035 -10.820 1125 HD1 HIS 153 1HD HIS 153 -27.271 10.569 -12.758 1126 HD2 HIS 153 2HD HIS 153 -29.792 7.629 -11.241 1127 HE1 HIS 153 1HE HIS 153 -29.596 11.236 -13.461 1128 HE2 HIS 153 2HE HIS 153 -31.115 9.568 -12.326 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -8.973 -7.340 5.308 2 H2 MET 1 H2 MET 1 -10.161 -6.601 4.350 3 H3 MET 1 H3 MET 1 -9.200 -5.665 5.387 4 HA MET 1 HA MET 1 -8.544 -5.471 3.052 5 HB2 MET 1 2HB MET 1 -6.875 -5.033 4.758 6 HB3 MET 1 1HB MET 1 -6.538 -6.754 4.922 7 HG2 MET 1 2HG MET 1 -5.751 -6.778 2.582 8 HG3 MET 1 1HG MET 1 -6.001 -5.035 2.509 9 HE1 MET 1 2HE MET 1 -2.086 -5.492 2.582 10 HE2 MET 1 3HE MET 1 -3.453 -4.850 1.672 11 HE3 MET 1 1HE MET 1 -3.248 -6.594 1.848 12 H LYS 2 HN LYS 2 -9.028 -6.575 1.281 13 HA LYS 2 HA LYS 2 -8.293 -9.430 1.168 14 HB2 LYS 2 2HB LYS 2 -10.490 -7.827 -0.041 15 HB3 LYS 2 1HB LYS 2 -9.837 -9.143 -1.005 16 HG2 LYS 2 2HG LYS 2 -11.853 -9.684 0.409 17 HG3 LYS 2 1HG LYS 2 -10.472 -10.762 0.586 18 HD2 LYS 2 2HD LYS 2 -9.833 -9.694 2.643 19 HD3 LYS 2 1HD LYS 2 -11.070 -8.457 2.433 20 HE2 LYS 2 2HE LYS 2 -11.821 -11.350 2.577 21 HE3 LYS 2 1HE LYS 2 -11.514 -10.427 4.048 22 HZ1 LYS 2 3HZ LYS 2 -13.854 -10.432 3.473 23 HZ2 LYS 2 1HZ LYS 2 -13.509 -9.722 1.970 24 HZ3 LYS 2 2HZ LYS 2 -13.209 -8.861 3.404 25 H THR 3 HN THR 3 -6.934 -10.154 -0.408 26 HA THR 3 HA THR 3 -6.061 -8.391 -2.524 27 HB THR 3 HB THR 3 -4.712 -7.636 -0.584 28 HG1 THR 3 1HG THR 3 -3.578 -7.313 -2.396 29 HG21 THR 3 3HG2 THR 3 -4.596 -9.729 0.661 30 HG22 THR 3 1HG2 THR 3 -2.976 -9.117 0.329 31 HG23 THR 3 2HG2 THR 3 -3.625 -10.454 -0.621 32 H THR 4 HN THR 4 -4.141 -9.530 -3.714 33 HA THR 4 HA THR 4 -4.770 -12.400 -3.853 34 HB THR 4 HB THR 4 -4.243 -12.242 -6.298 35 HG1 THR 4 1HG THR 4 -4.577 -9.905 -7.051 36 HG21 THR 4 3HG2 THR 4 -6.556 -12.304 -5.525 37 HG22 THR 4 1HG2 THR 4 -6.404 -11.255 -6.935 38 HG23 THR 4 2HG2 THR 4 -6.554 -10.553 -5.324 39 HA PRO 5 HA PRO 5 -0.476 -13.517 -3.601 40 HB2 PRO 5 2HB PRO 5 -0.697 -14.814 -6.260 41 HB3 PRO 5 1HB PRO 5 -0.205 -15.502 -4.709 42 HG2 PRO 5 2HG PRO 5 -2.599 -16.038 -5.787 43 HG3 PRO 5 1HG PRO 5 -2.372 -15.873 -4.041 44 HD2 PRO 5 2HD PRO 5 -3.594 -13.986 -5.981 45 HD3 PRO 5 1HD PRO 5 -4.018 -14.299 -4.287 46 H ASP 6 HN ASP 6 -1.622 -12.372 -6.706 47 HA ASP 6 HA ASP 6 0.745 -11.671 -7.957 48 HB2 ASP 6 2HB ASP 6 -1.402 -11.571 -9.093 49 HB3 ASP 6 1HB ASP 6 -1.913 -10.260 -8.044 50 H ILE 7 HN ILE 7 -1.202 -9.733 -5.718 51 HA ILE 7 HA ILE 7 0.635 -7.526 -5.751 52 HB ILE 7 HB ILE 7 -1.616 -8.165 -3.834 53 HG12 ILE 7 2HG1 ILE 7 -2.384 -7.834 -6.138 54 HG13 ILE 7 1HG1 ILE 7 -2.883 -6.490 -5.120 55 HG21 ILE 7 1HG2 ILE 7 -0.075 -5.600 -4.211 56 HG22 ILE 7 2HG2 ILE 7 -0.003 -6.662 -2.805 57 HG23 ILE 7 3HG2 ILE 7 -1.496 -5.801 -3.184 58 HD11 ILE 7 3HD1 ILE 7 -1.056 -5.137 -5.999 59 HD12 ILE 7 1HD1 ILE 7 -2.123 -5.712 -7.282 60 HD13 ILE 7 2HD1 ILE 7 -0.557 -6.482 -7.025 61 H LEU 8 HN LEU 8 -0.040 -10.230 -3.569 62 HA LEU 8 HA LEU 8 1.563 -9.494 -1.412 63 HB2 LEU 8 2HB LEU 8 0.918 -12.244 -2.471 64 HB3 LEU 8 1HB LEU 8 1.673 -11.938 -0.917 65 HG LEU 8 HG LEU 8 -1.078 -10.991 -1.727 66 HD11 LEU 8 1HD1 LEU 8 -1.879 -12.663 -0.132 67 HD12 LEU 8 2HD1 LEU 8 -0.225 -13.227 0.104 68 HD13 LEU 8 3HD1 LEU 8 -1.001 -13.401 -1.470 69 HD21 LEU 8 3HD2 LEU 8 0.363 -10.865 0.922 70 HD22 LEU 8 1HD2 LEU 8 -1.310 -10.386 0.628 71 HD23 LEU 8 2HD2 LEU 8 0.009 -9.498 -0.135 72 H ASP 9 HN ASP 9 2.417 -11.306 -4.324 73 HA ASP 9 HA ASP 9 5.081 -11.910 -3.602 74 HB2 ASP 9 2HB ASP 9 3.666 -12.858 -5.536 75 HB3 ASP 9 1HB ASP 9 4.135 -11.417 -6.430 76 H GLN 10 HN GLN 10 3.659 -9.245 -5.445 77 HA GLN 10 HA GLN 10 6.013 -7.854 -6.006 78 HB2 GLN 10 2HB GLN 10 3.172 -6.919 -5.655 79 HB3 GLN 10 1HB GLN 10 4.466 -5.868 -6.207 80 HG2 GLN 10 2HG GLN 10 4.840 -7.322 -8.121 81 HG3 GLN 10 1HG GLN 10 3.558 -8.392 -7.567 82 HE21 GLN 10 1HE2 GLN 10 1.433 -7.768 -7.787 83 HE22 GLN 10 2HE2 GLN 10 0.954 -6.435 -8.782 84 H ILE 11 HN ILE 11 3.841 -7.672 -3.201 85 HA ILE 11 HA ILE 11 5.007 -5.457 -1.950 86 HB ILE 11 HB ILE 11 3.624 -7.832 -0.690 87 HG12 ILE 11 2HG1 ILE 11 2.622 -5.045 -1.322 88 HG13 ILE 11 1HG1 ILE 11 2.261 -6.485 -2.265 89 HG21 ILE 11 1HG2 ILE 11 4.331 -5.167 0.536 90 HG22 ILE 11 2HG2 ILE 11 5.032 -6.729 0.960 91 HG23 ILE 11 3HG2 ILE 11 3.329 -6.406 1.290 92 HD11 ILE 11 3HD1 ILE 11 0.407 -5.920 -0.823 93 HD12 ILE 11 1HD1 ILE 11 1.459 -5.992 0.591 94 HD13 ILE 11 2HD1 ILE 11 1.121 -7.457 -0.330 95 H ARG 12 HN ARG 12 5.726 -8.935 -1.489 96 HA ARG 12 HA ARG 12 7.726 -8.440 0.450 97 HB2 ARG 12 2HB ARG 12 8.430 -10.784 0.077 98 HB3 ARG 12 1HB ARG 12 6.713 -10.609 0.390 99 HG2 ARG 12 2HG ARG 12 6.255 -10.874 -1.989 100 HG3 ARG 12 1HG ARG 12 7.986 -11.038 -2.302 101 HD2 ARG 12 2HD ARG 12 8.061 -13.028 -0.890 102 HD3 ARG 12 1HD ARG 12 6.342 -12.854 -0.538 103 HE ARG 12 HE ARG 12 6.886 -13.036 -3.342 104 HH11 ARG 12 1HH1 ARG 12 6.503 -14.934 -0.426 105 HH12 ARG 12 2HH1 ARG 12 5.962 -16.357 -1.263 106 HH21 ARG 12 1HH2 ARG 12 6.156 -14.890 -4.456 107 HH22 ARG 12 2HH2 ARG 12 5.752 -16.325 -3.555 108 H VAL 13 HN VAL 13 7.838 -8.652 -3.064 109 HA VAL 13 HA VAL 13 10.677 -8.655 -3.254 110 HB VAL 13 HB VAL 13 8.597 -7.749 -5.255 111 HG11 VAL 13 1HG1 VAL 13 10.399 -7.896 -6.928 112 HG12 VAL 13 2HG1 VAL 13 11.560 -8.176 -5.629 113 HG13 VAL 13 3HG1 VAL 13 10.702 -6.639 -5.729 114 HG21 VAL 13 3HG2 VAL 13 9.111 -9.884 -6.355 115 HG22 VAL 13 1HG2 VAL 13 8.484 -10.119 -4.723 116 HG23 VAL 13 2HG2 VAL 13 10.211 -10.288 -5.036 117 H HIS 14 HN HIS 14 8.242 -6.070 -3.400 118 HA HIS 14 HA HIS 14 10.113 -3.974 -3.717 119 HB2 HIS 14 2HB HIS 14 7.234 -4.044 -2.869 120 HB3 HIS 14 1HB HIS 14 8.153 -2.543 -2.811 121 HD1 HIS 14 1HD HIS 14 9.033 -1.607 -5.122 122 HD2 HIS 14 2HD HIS 14 6.405 -4.827 -5.400 123 HE1 HIS 14 1HE HIS 14 8.287 -1.676 -7.523 124 HE2 HIS 14 2HE HIS 14 6.818 -3.713 -7.703 125 H GLY 15 HN GLY 15 8.894 -5.653 -0.911 126 HA2 GLY 15 2HA GLY 15 9.816 -3.905 1.079 127 HA3 GLY 15 1HA GLY 15 9.648 -5.647 1.258 128 H ALA 16 HN ALA 16 11.473 -6.572 -0.585 129 HA ALA 16 HA ALA 16 13.956 -6.178 0.775 130 HB1 ALA 16 1HB ALA 16 13.308 -8.338 -0.206 131 HB2 ALA 16 2HB ALA 16 14.860 -7.772 -0.825 132 HB3 ALA 16 3HB ALA 16 13.409 -7.626 -1.817 133 H ASP 17 HN ASP 17 12.534 -5.070 -2.219 134 HA ASP 17 HA ASP 17 14.753 -3.819 -3.402 135 HB2 ASP 17 2HB ASP 17 12.558 -4.199 -4.504 136 HB3 ASP 17 1HB ASP 17 11.851 -2.970 -3.476 137 H ALA 18 HN ALA 18 12.494 -2.826 -0.957 138 HA ALA 18 HA ALA 18 13.568 -0.139 -0.739 139 HB1 ALA 18 1HB ALA 18 11.822 0.204 0.934 140 HB2 ALA 18 2HB ALA 18 11.424 -1.514 0.878 141 HB3 ALA 18 3HB ALA 18 11.164 -0.503 -0.541 142 H TYR 19 HN TYR 19 15.229 -2.536 -0.033 143 HA TYR 19 HA TYR 19 15.739 -1.916 2.794 144 HB2 TYR 19 2HB TYR 19 15.586 -4.365 1.573 145 HB3 TYR 19 1HB TYR 19 17.318 -4.054 1.508 146 HD1 TYR 19 1HD TYR 19 14.700 -3.362 4.082 147 HD2 TYR 19 2HD TYR 19 18.401 -5.276 3.185 148 HE1 TYR 19 1HE TYR 19 14.892 -4.090 6.423 149 HE2 TYR 19 2HE TYR 19 18.595 -5.990 5.519 150 HH TYR 19 HH TYR 19 16.019 -5.868 7.697 151 HA PRO 20 HA PRO 20 17.727 -2.319 4.164 152 HB2 PRO 20 2HB PRO 20 18.964 0.134 5.177 153 HB3 PRO 20 1HB PRO 20 19.480 -1.542 5.373 154 HG2 PRO 20 2HG PRO 20 20.834 0.215 3.839 155 HG3 PRO 20 1HG PRO 20 20.755 -1.517 3.464 156 HD2 PRO 20 2HD PRO 20 19.208 0.755 2.266 157 HD3 PRO 20 1HD PRO 20 19.961 -0.641 1.465 158 H GLU 21 HN GLU 21 16.846 0.825 2.923 159 HA GLU 21 HA GLU 21 14.322 0.664 4.182 160 HB2 GLU 21 2HB GLU 21 14.456 2.710 5.546 161 HB3 GLU 21 1HB GLU 21 15.491 1.428 6.149 162 HG2 GLU 21 2HG GLU 21 17.423 2.518 5.109 163 HG3 GLU 21 1HG GLU 21 16.371 3.823 4.555 164 H GLU 22 HN GLU 22 13.167 2.888 3.936 165 HA GLU 22 HA GLU 22 12.216 4.377 2.548 166 HB2 GLU 22 2HB GLU 22 14.344 5.538 2.436 167 HB3 GLU 22 1HB GLU 22 14.907 4.445 1.176 168 HG2 GLU 22 2HG GLU 22 13.440 5.336 -0.412 169 HG3 GLU 22 1HG GLU 22 12.450 6.121 0.816 170 H GLY 23 HN GLY 23 10.794 4.120 0.974 171 HA2 GLY 23 2HA GLY 23 10.601 3.161 -1.408 172 HA3 GLY 23 1HA GLY 23 11.093 1.665 -0.624 173 H CYS 24 HN CYS 24 9.397 3.296 1.620 174 HA CYS 24 HA CYS 24 7.085 1.679 1.497 175 HB2 CYS 24 2HB CYS 24 7.398 4.313 2.952 176 HB3 CYS 24 1HB CYS 24 6.272 3.017 3.338 177 HG CYS 24 HG CYS 24 8.845 3.502 4.936 178 H GLY 25 HN GLY 25 4.911 2.329 1.026 179 HA2 GLY 25 2HA GLY 25 4.460 4.833 -0.343 180 HA3 GLY 25 1HA GLY 25 4.462 3.431 -1.405 181 H PHE 26 HN PHE 26 2.229 4.069 -1.823 182 HA PHE 26 HA PHE 26 0.394 3.502 0.404 183 HB2 PHE 26 2HB PHE 26 -0.047 5.120 -2.115 184 HB3 PHE 26 1HB PHE 26 -1.281 4.800 -0.901 185 HD1 PHE 26 2HD PHE 26 -1.132 5.823 1.317 186 HD2 PHE 26 1HD PHE 26 1.661 6.759 -1.757 187 HE1 PHE 26 2HE PHE 26 -0.414 7.808 2.580 188 HE2 PHE 26 1HE PHE 26 2.379 8.751 -0.500 189 HZ PHE 26 HZ PHE 26 1.343 9.275 1.672 190 H LEU 27 HN LEU 27 -1.483 2.293 0.017 191 HA LEU 27 HA LEU 27 -1.162 0.250 -2.050 192 HB2 LEU 27 2HB LEU 27 -3.076 0.414 0.288 193 HB3 LEU 27 1HB LEU 27 -2.921 -0.948 -0.802 194 HG LEU 27 HG LEU 27 -0.710 0.030 1.003 195 HD11 LEU 27 1HD1 LEU 27 -2.597 -0.804 2.308 196 HD12 LEU 27 2HD1 LEU 27 -1.228 -1.915 2.385 197 HD13 LEU 27 3HD1 LEU 27 -2.609 -2.286 1.353 198 HD21 LEU 27 3HD2 LEU 27 -1.026 -2.508 -0.596 199 HD22 LEU 27 1HD2 LEU 27 0.322 -2.111 0.468 200 HD23 LEU 27 2HD2 LEU 27 0.046 -1.166 -0.995 201 H LEU 28 HN LEU 28 -2.393 0.242 -3.839 202 HA LEU 28 HA LEU 28 -4.626 2.148 -3.946 203 HB2 LEU 28 2HB LEU 28 -3.048 0.877 -6.187 204 HB3 LEU 28 1HB LEU 28 -4.380 1.995 -6.403 205 HG LEU 28 HG LEU 28 -1.742 2.644 -5.080 206 HD11 LEU 28 1HD1 LEU 28 -2.867 3.480 -7.750 207 HD12 LEU 28 2HD1 LEU 28 -1.542 2.344 -7.493 208 HD13 LEU 28 3HD1 LEU 28 -1.350 4.038 -7.042 209 HD21 LEU 28 3HD2 LEU 28 -2.545 4.957 -5.096 210 HD22 LEU 28 1HD2 LEU 28 -3.576 3.920 -4.109 211 HD23 LEU 28 2HD2 LEU 28 -4.103 4.411 -5.719 212 H GLY 29 HN GLY 29 -6.640 1.461 -4.221 213 HA2 GLY 29 2HA GLY 29 -7.391 -0.905 -5.561 214 HA3 GLY 29 1HA GLY 29 -7.351 -1.207 -3.826 215 H THR 30 HN THR 30 -9.666 -1.556 -4.010 216 HA THR 30 HA THR 30 -11.072 1.000 -3.792 217 HB THR 30 HB THR 30 -13.045 -0.474 -4.883 218 HG1 THR 30 1HG THR 30 -11.420 -1.187 -6.858 219 HG21 THR 30 3HG2 THR 30 -12.365 1.795 -5.544 220 HG22 THR 30 1HG2 THR 30 -12.663 0.770 -6.949 221 HG23 THR 30 2HG2 THR 30 -11.009 1.121 -6.449 222 H VAL 31 HN VAL 31 -12.832 1.020 -2.423 223 HA VAL 31 HA VAL 31 -13.001 -1.180 -0.522 224 HB VAL 31 HB VAL 31 -14.462 1.479 -0.550 225 HG11 VAL 31 1HG1 VAL 31 -14.949 0.998 1.806 226 HG12 VAL 31 2HG1 VAL 31 -14.182 -0.581 1.639 227 HG13 VAL 31 3HG1 VAL 31 -15.650 -0.213 0.734 228 HG21 VAL 31 3HG2 VAL 31 -12.068 1.794 -0.344 229 HG22 VAL 31 1HG2 VAL 31 -12.005 0.620 0.971 230 HG23 VAL 31 2HG2 VAL 31 -12.864 2.146 1.191 231 H THR 32 HN THR 32 -14.728 -2.573 -0.396 232 HA THR 32 HA THR 32 -16.389 -2.640 -2.778 233 HB THR 32 HB THR 32 -17.119 -4.851 -1.840 234 HG1 THR 32 1HG THR 32 -16.566 -5.321 0.124 235 HG21 THR 32 3HG2 THR 32 -15.336 -4.699 -3.509 236 HG22 THR 32 1HG2 THR 32 -14.992 -5.980 -2.348 237 HG23 THR 32 2HG2 THR 32 -14.153 -4.434 -2.228 238 H ASP 33 HN ASP 33 -16.698 -1.130 0.014 239 HA ASP 33 HA ASP 33 -18.374 -0.040 1.052 240 HB2 ASP 33 2HB ASP 33 -20.093 -1.359 -1.040 241 HB3 ASP 33 1HB ASP 33 -20.717 -0.271 0.188 242 H ASP 34 HN ASP 34 -18.219 -3.407 0.820 243 HA ASP 34 HA ASP 34 -20.213 -4.111 2.725 244 HB2 ASP 34 2HB ASP 34 -17.605 -5.566 2.225 245 HB3 ASP 34 1HB ASP 34 -19.076 -6.239 2.912 246 H GLY 35 HN GLY 35 -17.159 -2.629 2.898 247 HA2 GLY 35 2HA GLY 35 -16.680 -1.521 5.078 248 HA3 GLY 35 1HA GLY 35 -17.004 -3.089 5.808 249 H ASP 36 HN ASP 36 -15.665 -4.134 3.187 250 HA ASP 36 HA ASP 36 -12.997 -4.207 4.372 251 HB2 ASP 36 2HB ASP 36 -14.499 -6.252 3.563 252 HB3 ASP 36 1HB ASP 36 -13.748 -5.881 2.021 253 H ASN 37 HN ASN 37 -11.204 -4.362 2.733 254 HA ASN 37 HA ASN 37 -11.607 -2.511 0.503 255 HB2 ASN 37 2HB ASN 37 -9.469 -1.396 1.076 256 HB3 ASN 37 1HB ASN 37 -10.702 -1.157 2.299 257 HD21 ASN 37 1HD2 ASN 37 -7.822 -0.910 2.516 258 HD22 ASN 37 2HD2 ASN 37 -7.340 -1.994 3.771 259 H ARG 38 HN ARG 38 -10.690 -3.183 -1.345 260 HA ARG 38 HA ARG 38 -8.942 -5.538 -1.152 261 HB2 ARG 38 2HB ARG 38 -9.725 -6.256 -3.252 262 HB3 ARG 38 1HB ARG 38 -11.160 -5.690 -2.411 263 HG2 ARG 38 2HG ARG 38 -10.806 -3.499 -3.630 264 HG3 ARG 38 1HG ARG 38 -9.647 -4.364 -4.628 265 HD2 ARG 38 2HD ARG 38 -11.402 -5.991 -5.223 266 HD3 ARG 38 1HD ARG 38 -12.565 -5.053 -4.290 267 HE ARG 38 HE ARG 38 -11.626 -3.206 -5.989 268 HH11 ARG 38 1HH1 ARG 38 -12.874 -6.447 -6.495 269 HH12 ARG 38 2HH1 ARG 38 -13.355 -6.145 -8.140 270 HH21 ARG 38 1HH2 ARG 38 -12.301 -2.799 -8.154 271 HH22 ARG 38 2HH2 ARG 38 -13.074 -4.070 -9.053 272 H VAL 39 HN VAL 39 -7.058 -5.622 -2.254 273 HA VAL 39 HA VAL 39 -5.978 -3.029 -3.116 274 HB VAL 39 HB VAL 39 -4.451 -5.542 -2.399 275 HG11 VAL 39 1HG1 VAL 39 -3.255 -4.046 -3.923 276 HG12 VAL 39 2HG1 VAL 39 -2.501 -4.074 -2.329 277 HG13 VAL 39 3HG1 VAL 39 -3.503 -2.705 -2.805 278 HG21 VAL 39 3HG2 VAL 39 -5.015 -3.081 -0.749 279 HG22 VAL 39 1HG2 VAL 39 -3.884 -4.359 -0.307 280 HG23 VAL 39 2HG2 VAL 39 -5.607 -4.714 -0.443 281 H ALA 40 HN ALA 40 -5.610 -2.682 -5.208 282 HA ALA 40 HA ALA 40 -5.672 -5.015 -7.011 283 HB1 ALA 40 1HB ALA 40 -6.520 -2.178 -7.596 284 HB2 ALA 40 2HB ALA 40 -7.599 -3.532 -7.261 285 HB3 ALA 40 3HB ALA 40 -6.600 -3.541 -8.713 286 H ALA 41 HN ALA 41 -3.976 -2.081 -6.156 287 HA ALA 41 HA ALA 41 -1.748 -2.887 -7.846 288 HB1 ALA 41 1HB ALA 41 -1.528 -0.690 -8.888 289 HB2 ALA 41 2HB ALA 41 -3.002 -0.152 -8.084 290 HB3 ALA 41 3HB ALA 41 -3.075 -1.428 -9.300 291 H LEU 42 HN LEU 42 0.157 -1.377 -7.459 292 HA LEU 42 HA LEU 42 0.158 -0.498 -4.649 293 HB2 LEU 42 2HB LEU 42 2.411 -1.776 -6.204 294 HB3 LEU 42 1HB LEU 42 2.542 -1.147 -4.574 295 HG LEU 42 HG LEU 42 0.793 -3.459 -5.415 296 HD11 LEU 42 1HD1 LEU 42 3.155 -4.027 -5.500 297 HD12 LEU 42 2HD1 LEU 42 2.374 -4.823 -4.135 298 HD13 LEU 42 3HD1 LEU 42 3.381 -3.400 -3.868 299 HD21 LEU 42 3HD2 LEU 42 -0.148 -2.210 -3.537 300 HD22 LEU 42 1HD2 LEU 42 1.387 -2.335 -2.677 301 HD23 LEU 42 2HD2 LEU 42 0.446 -3.787 -3.017 302 H HIS 43 HN HIS 43 1.277 1.415 -4.166 303 HA HIS 43 HA HIS 43 2.355 2.835 -6.511 304 HB2 HIS 43 2HB HIS 43 0.365 3.984 -5.699 305 HB3 HIS 43 1HB HIS 43 1.029 4.037 -4.067 306 HD1 HIS 43 1HD HIS 43 1.882 5.347 -7.544 307 HD2 HIS 43 2HD HIS 43 2.466 6.269 -3.530 308 HE1 HIS 43 1HE HIS 43 3.077 7.565 -7.519 309 HE2 HIS 43 2HE HIS 43 3.657 7.949 -5.088 310 H ARG 44 HN ARG 44 4.417 3.198 -6.466 311 HA ARG 44 HA ARG 44 5.919 2.738 -4.002 312 HB2 ARG 44 2HB ARG 44 7.091 3.202 -6.734 313 HB3 ARG 44 1HB ARG 44 7.777 2.302 -5.387 314 HG2 ARG 44 2HG ARG 44 6.386 0.459 -5.758 315 HG3 ARG 44 1HG ARG 44 5.276 1.390 -6.765 316 HD2 ARG 44 2HD ARG 44 7.309 1.691 -8.323 317 HD3 ARG 44 1HD ARG 44 7.998 0.333 -7.430 318 HE ARG 44 HE ARG 44 5.642 -0.686 -8.100 319 HH11 ARG 44 1HH1 ARG 44 7.942 1.128 -10.034 320 HH12 ARG 44 2HH1 ARG 44 7.420 0.411 -11.537 321 HH21 ARG 44 1HH2 ARG 44 4.965 -1.603 -10.064 322 HH22 ARG 44 2HH2 ARG 44 5.732 -1.134 -11.549 323 H ALA 45 HN ALA 45 7.079 4.361 -3.015 324 HA ALA 45 HA ALA 45 6.589 7.065 -3.818 325 HB1 ALA 45 1HB ALA 45 7.955 7.696 -1.907 326 HB2 ALA 45 2HB ALA 45 8.469 6.022 -1.706 327 HB3 ALA 45 3HB ALA 45 6.780 6.462 -1.452 328 H THR 46 HN THR 46 7.508 6.574 -5.999 329 HA THR 46 HA THR 46 10.044 7.852 -6.208 330 HB THR 46 HB THR 46 10.801 5.534 -5.754 331 HG1 THR 46 1HG THR 46 12.213 5.436 -7.546 332 HG21 THR 46 3HG2 THR 46 9.320 4.895 -8.302 333 HG22 THR 46 1HG2 THR 46 8.955 4.275 -6.692 334 HG23 THR 46 2HG2 THR 46 10.454 3.807 -7.498 335 H ASN 47 HN ASN 47 10.360 8.686 -8.183 336 HA ASN 47 HA ASN 47 9.264 8.002 -10.618 337 HB2 ASN 47 2HB ASN 47 7.069 8.454 -9.467 338 HB3 ASN 47 1HB ASN 47 7.581 10.128 -9.264 339 HD21 ASN 47 1HD2 ASN 47 5.868 10.876 -10.500 340 HD22 ASN 47 2HD2 ASN 47 5.832 10.694 -12.215 341 H ARG 48 HN ARG 48 10.668 8.976 -11.900 342 HA ARG 48 HA ARG 48 12.087 11.324 -10.942 343 HB2 ARG 48 2HB ARG 48 13.137 9.264 -12.065 344 HB3 ARG 48 1HB ARG 48 12.501 9.908 -13.570 345 HG2 ARG 48 2HG ARG 48 13.831 11.894 -13.346 346 HG3 ARG 48 1HG ARG 48 14.382 11.391 -11.746 347 HD2 ARG 48 2HD ARG 48 15.309 9.322 -12.875 348 HD3 ARG 48 1HD ARG 48 15.002 10.136 -14.408 349 HE ARG 48 HE ARG 48 16.454 11.969 -13.135 350 HH11 ARG 48 1HH1 ARG 48 16.915 8.527 -13.494 351 HH12 ARG 48 2HH1 ARG 48 18.644 8.599 -13.356 352 HH21 ARG 48 1HH2 ARG 48 18.737 12.098 -12.976 353 HH22 ARG 48 2HH2 ARG 48 19.691 10.643 -13.077 354 H ARG 49 HN ARG 49 10.266 10.348 -13.826 355 HA ARG 49 HA ARG 49 9.017 12.934 -13.997 356 HB2 ARG 49 2HB ARG 49 11.178 12.142 -15.877 357 HB3 ARG 49 1HB ARG 49 9.746 12.877 -16.584 358 HG2 ARG 49 2HG ARG 49 10.020 14.837 -15.201 359 HG3 ARG 49 1HG ARG 49 11.388 14.092 -14.373 360 HD2 ARG 49 2HD ARG 49 12.683 14.104 -16.400 361 HD3 ARG 49 1HD ARG 49 11.298 14.687 -17.326 362 HE ARG 49 HE ARG 49 11.542 16.811 -16.345 363 HH11 ARG 49 1HH1 ARG 49 13.986 14.557 -15.234 364 HH12 ARG 49 2HH1 ARG 49 15.016 15.791 -14.592 365 HH21 ARG 49 1HH2 ARG 49 12.889 18.430 -15.515 366 HH22 ARG 49 2HH2 ARG 49 14.400 18.012 -14.763 367 H SER 50 HN SER 50 7.282 12.961 -15.559 368 HA SER 50 HA SER 50 5.754 10.617 -15.525 369 HB2 SER 50 2HB SER 50 4.702 12.788 -15.699 370 HB3 SER 50 1HB SER 50 5.517 13.109 -17.227 371 HG SER 50 HG SER 50 3.604 11.057 -16.770 372 H GLU 51 HN GLU 51 7.286 12.201 -18.314 373 HA GLU 51 HA GLU 51 8.251 9.884 -19.539 374 HB2 GLU 51 2HB GLU 51 5.813 9.399 -19.792 375 HB3 GLU 51 1HB GLU 51 5.644 10.881 -20.719 376 HG2 GLU 51 2HG GLU 51 7.329 9.915 -22.327 377 HG3 GLU 51 1HG GLU 51 7.137 8.387 -21.464 378 H GLN 52 HN GLN 52 6.407 12.437 -21.110 379 HA GLN 52 HA GLN 52 8.603 14.251 -21.214 380 HB2 GLN 52 2HB GLN 52 9.220 12.780 -23.100 381 HB3 GLN 52 1HB GLN 52 7.649 13.074 -23.838 382 HG2 GLN 52 2HG GLN 52 8.186 15.450 -24.035 383 HG3 GLN 52 1HG GLN 52 9.754 15.160 -23.286 384 HE21 GLN 52 1HE2 GLN 52 11.368 14.156 -24.450 385 HE22 GLN 52 2HE2 GLN 52 11.287 13.981 -26.174 386 H ARG 53 HN ARG 53 6.723 15.089 -19.978 387 HA ARG 53 HA ARG 53 4.825 16.432 -21.768 388 HB2 ARG 53 2HB ARG 53 4.670 15.565 -18.930 389 HB3 ARG 53 1HB ARG 53 3.902 17.093 -19.325 390 HG2 ARG 53 2HG ARG 53 2.200 15.521 -19.495 391 HG3 ARG 53 1HG ARG 53 2.681 15.820 -21.161 392 HD2 ARG 53 2HD ARG 53 3.923 13.564 -19.652 393 HD3 ARG 53 1HD ARG 53 2.292 13.383 -20.288 394 HE ARG 53 HE ARG 53 4.095 14.318 -22.293 395 HH11 ARG 53 1HH1 ARG 53 3.003 11.468 -20.572 396 HH12 ARG 53 2HH1 ARG 53 3.534 10.356 -21.804 397 HH21 ARG 53 1HH2 ARG 53 4.740 12.857 -23.964 398 HH22 ARG 53 2HH2 ARG 53 4.513 11.145 -23.727 399 H THR 54 HN THR 54 6.079 18.080 -22.503 400 HA THR 54 HA THR 54 7.883 19.546 -20.902 401 HB THR 54 HB THR 54 6.637 20.477 -23.491 402 HG1 THR 54 1HG THR 54 7.886 19.061 -24.525 403 HG21 THR 54 3HG2 THR 54 9.326 20.998 -22.206 404 HG22 THR 54 1HG2 THR 54 7.988 22.143 -22.310 405 HG23 THR 54 2HG2 THR 54 8.805 21.606 -23.778 406 H ARG 55 HN ARG 55 7.277 20.752 -19.262 407 HA ARG 55 HA ARG 55 5.133 22.713 -19.633 408 HB2 ARG 55 2HB ARG 55 4.253 22.222 -17.393 409 HB3 ARG 55 1HB ARG 55 4.155 20.797 -18.421 410 HG2 ARG 55 2HG ARG 55 6.065 19.825 -17.367 411 HG3 ARG 55 1HG ARG 55 6.377 21.303 -16.460 412 HD2 ARG 55 2HD ARG 55 5.353 19.800 -14.957 413 HD3 ARG 55 1HD ARG 55 4.130 20.993 -15.385 414 HE ARG 55 HE ARG 55 2.921 19.350 -16.479 415 HH11 ARG 55 1HH1 ARG 55 6.084 18.102 -15.620 416 HH12 ARG 55 2HH1 ARG 55 5.580 16.442 -15.681 417 HH21 ARG 55 1HH2 ARG 55 2.250 17.187 -16.548 418 HH22 ARG 55 2HH2 ARG 55 3.383 15.919 -16.216 419 H ARG 56 HN ARG 56 5.225 24.374 -17.832 420 HA ARG 56 HA ARG 56 8.029 24.974 -17.257 421 HB2 ARG 56 2HB ARG 56 5.533 26.590 -17.395 422 HB3 ARG 56 1HB ARG 56 6.833 27.153 -16.356 423 HG2 ARG 56 2HG ARG 56 8.305 26.828 -18.475 424 HG3 ARG 56 1HG ARG 56 6.757 26.896 -19.324 425 HD2 ARG 56 2HD ARG 56 7.843 29.109 -19.135 426 HD3 ARG 56 1HD ARG 56 6.267 29.052 -18.343 427 HE ARG 56 HE ARG 56 8.560 28.515 -16.637 428 HH11 ARG 56 1HH1 ARG 56 6.342 30.939 -17.848 429 HH12 ARG 56 2HH1 ARG 56 6.554 31.990 -16.484 430 HH21 ARG 56 1HH2 ARG 56 8.858 29.908 -14.862 431 HH22 ARG 56 2HH2 ARG 56 8.000 31.417 -14.797 432 H TYR 57 HN TYR 57 5.116 24.002 -15.640 433 HA TYR 57 HA TYR 57 6.382 24.618 -13.049 434 HB2 TYR 57 2HB TYR 57 3.406 24.490 -13.549 435 HB3 TYR 57 1HB TYR 57 4.229 25.083 -12.110 436 HD1 TYR 57 2HD TYR 57 5.735 27.180 -12.421 437 HD2 TYR 57 1HD TYR 57 2.759 25.973 -15.209 438 HE1 TYR 57 2HE TYR 57 5.679 29.459 -13.345 439 HE2 TYR 57 1HE TYR 57 2.696 28.246 -16.139 440 HH TYR 57 HH TYR 57 3.223 30.561 -15.354 441 H GLU 58 HN GLU 58 7.221 22.667 -12.476 442 HA GLU 58 HA GLU 58 5.215 20.785 -11.579 443 HB2 GLU 58 2HB GLU 58 6.394 18.801 -12.387 444 HB3 GLU 58 1HB GLU 58 5.840 19.805 -13.717 445 HG2 GLU 58 2HG GLU 58 8.091 20.649 -14.043 446 HG3 GLU 58 1HG GLU 58 8.658 19.707 -12.664 447 H LEU 59 HN LEU 59 5.583 20.281 -9.560 448 HA LEU 59 HA LEU 59 8.264 20.746 -8.470 449 HB2 LEU 59 2HB LEU 59 5.596 20.454 -7.081 450 HB3 LEU 59 1HB LEU 59 7.126 20.694 -6.259 451 HG LEU 59 HG LEU 59 5.852 22.655 -8.169 452 HD11 LEU 59 1HD1 LEU 59 5.445 24.012 -6.194 453 HD12 LEU 59 2HD1 LEU 59 6.119 22.743 -5.170 454 HD13 LEU 59 3HD1 LEU 59 4.626 22.454 -6.064 455 HD21 LEU 59 3HD2 LEU 59 8.278 22.792 -8.214 456 HD22 LEU 59 1HD2 LEU 59 8.323 22.878 -6.455 457 HD23 LEU 59 2HD2 LEU 59 7.597 24.191 -7.381 458 H THR 60 HN THR 60 5.722 18.341 -8.761 459 HA THR 60 HA THR 60 5.652 16.096 -8.418 460 HB THR 60 HB THR 60 8.669 16.127 -8.621 461 HG1 THR 60 1HG THR 60 8.431 16.301 -10.838 462 HG21 THR 60 3HG2 THR 60 6.582 14.146 -9.562 463 HG22 THR 60 1HG2 THR 60 7.610 13.954 -8.142 464 HG23 THR 60 2HG2 THR 60 8.327 13.978 -9.753 465 H ALA 61 HN ALA 61 5.787 17.841 -6.168 466 HA ALA 61 HA ALA 61 7.361 16.372 -4.191 467 HB1 ALA 61 1HB ALA 61 5.902 18.998 -3.935 468 HB2 ALA 61 2HB ALA 61 7.630 18.806 -4.233 469 HB3 ALA 61 3HB ALA 61 6.933 18.259 -2.708 470 H ASP 62 HN ASP 62 6.453 15.453 -2.414 471 HA ASP 62 HA ASP 62 4.921 14.449 -1.080 472 HB2 ASP 62 2HB ASP 62 3.621 16.523 -1.004 473 HB3 ASP 62 1HB ASP 62 2.835 16.099 -2.523 474 H ASP 63 HN ASP 63 4.593 12.401 -1.349 475 HA ASP 63 HA ASP 63 4.230 11.336 -3.993 476 HB2 ASP 63 2HB ASP 63 5.809 10.314 -2.400 477 HB3 ASP 63 1HB ASP 63 4.466 9.904 -1.337 478 H TYR 64 HN TYR 64 2.185 12.021 -1.299 479 HA TYR 64 HA TYR 64 0.191 10.069 -1.795 480 HB2 TYR 64 2HB TYR 64 0.232 11.153 0.360 481 HB3 TYR 64 1HB TYR 64 0.024 12.738 -0.382 482 HD1 TYR 64 2HD TYR 64 -1.674 9.428 -0.099 483 HD2 TYR 64 1HD TYR 64 -2.119 13.632 -0.564 484 HE1 TYR 64 2HE TYR 64 -4.112 9.181 0.065 485 HE2 TYR 64 1HE TYR 64 -4.562 13.394 -0.415 486 HH TYR 64 HH TYR 64 -6.263 11.625 -0.825 487 H ARG 65 HN ARG 65 0.563 13.462 -2.769 488 HA ARG 65 HA ARG 65 -1.807 13.697 -4.228 489 HB2 ARG 65 2HB ARG 65 0.869 15.050 -4.496 490 HB3 ARG 65 1HB ARG 65 -0.509 15.485 -5.491 491 HG2 ARG 65 2HG ARG 65 -1.782 16.104 -3.544 492 HG3 ARG 65 1HG ARG 65 -0.489 15.542 -2.485 493 HD2 ARG 65 2HD ARG 65 0.999 17.253 -3.386 494 HD3 ARG 65 1HD ARG 65 -0.285 17.811 -4.462 495 HE ARG 65 HE ARG 65 -1.559 18.320 -2.364 496 HH11 ARG 65 1HH1 ARG 65 1.942 18.267 -2.406 497 HH12 ARG 65 2HH1 ARG 65 2.111 19.320 -1.035 498 HH21 ARG 65 1HH2 ARG 65 -1.353 19.680 -0.548 499 HH22 ARG 65 2HH2 ARG 65 0.226 20.120 0.034 500 H ALA 66 HN ALA 66 1.338 12.431 -5.160 501 HA ALA 66 HA ALA 66 0.705 12.053 -7.906 502 HB1 ALA 66 1HB ALA 66 2.712 10.688 -7.997 503 HB2 ALA 66 2HB ALA 66 2.771 10.619 -6.238 504 HB3 ALA 66 3HB ALA 66 3.018 12.155 -7.068 505 H ALA 67 HN ALA 67 0.417 10.052 -5.020 506 HA ALA 67 HA ALA 67 -0.405 7.672 -6.331 507 HB1 ALA 67 1HB ALA 67 0.402 7.689 -4.013 508 HB2 ALA 67 2HB ALA 67 -1.200 6.960 -4.131 509 HB3 ALA 67 3HB ALA 67 -1.022 8.606 -3.525 510 H ASP 68 HN ASP 68 -2.086 10.430 -4.975 511 HA ASP 68 HA ASP 68 -4.736 9.628 -5.317 512 HB2 ASP 68 2HB ASP 68 -4.161 11.585 -4.031 513 HB3 ASP 68 1HB ASP 68 -3.467 12.368 -5.443 514 H ALA 69 HN ALA 69 -2.587 11.377 -7.513 515 HA ALA 69 HA ALA 69 -4.402 11.768 -9.601 516 HB1 ALA 69 1HB ALA 69 -1.422 11.365 -9.808 517 HB2 ALA 69 2HB ALA 69 -2.226 12.893 -9.448 518 HB3 ALA 69 3HB ALA 69 -2.461 12.122 -11.015 519 H ALA 70 HN ALA 70 -1.980 9.169 -9.212 520 HA ALA 70 HA ALA 70 -2.757 7.720 -11.502 521 HB1 ALA 70 1HB ALA 70 -1.435 6.700 -8.984 522 HB2 ALA 70 2HB ALA 70 -0.610 7.380 -10.386 523 HB3 ALA 70 3HB ALA 70 -1.491 5.860 -10.535 524 H ALA 71 HN ALA 71 -3.931 7.708 -8.187 525 HA ALA 71 HA ALA 71 -5.483 5.357 -8.346 526 HB1 ALA 71 1HB ALA 71 -6.663 6.206 -6.390 527 HB2 ALA 71 2HB ALA 71 -5.974 7.809 -6.653 528 HB3 ALA 71 3HB ALA 71 -4.924 6.460 -6.224 529 H GLN 72 HN GLN 72 -6.368 8.787 -8.884 530 HA GLN 72 HA GLN 72 -9.061 8.166 -9.556 531 HB2 GLN 72 2HB GLN 72 -9.308 10.455 -10.199 532 HB3 GLN 72 1HB GLN 72 -8.287 10.411 -8.772 533 HG2 GLN 72 2HG GLN 72 -6.309 10.704 -10.184 534 HG3 GLN 72 1HG GLN 72 -7.346 10.763 -11.608 535 HE21 GLN 72 1HE2 GLN 72 -8.161 12.211 -8.519 536 HE22 GLN 72 2HE2 GLN 72 -8.063 13.852 -9.059 537 H GLU 73 HN GLU 73 -6.100 8.450 -11.421 538 HA GLU 73 HA GLU 73 -7.181 8.376 -13.995 539 HB2 GLU 73 2HB GLU 73 -4.593 7.330 -12.869 540 HB3 GLU 73 1HB GLU 73 -4.961 7.298 -14.579 541 HG2 GLU 73 2HG GLU 73 -5.233 9.767 -14.504 542 HG3 GLU 73 1HG GLU 73 -4.680 9.720 -12.830 543 H GLN 74 HN GLN 74 -6.305 5.793 -11.784 544 HA GLN 74 HA GLN 74 -7.034 3.728 -13.659 545 HB2 GLN 74 2HB GLN 74 -6.072 3.753 -10.814 546 HB3 GLN 74 1HB GLN 74 -6.531 2.264 -11.620 547 HG2 GLN 74 2HG GLN 74 -4.814 2.529 -13.253 548 HG3 GLN 74 1HG GLN 74 -4.449 4.156 -12.680 549 HE21 GLN 74 1HE2 GLN 74 -4.632 3.456 -9.877 550 HE22 GLN 74 2HE2 GLN 74 -3.225 2.535 -9.512 551 H GLY 75 HN GLY 75 -8.573 5.439 -11.066 552 HA2 GLY 75 2HA GLY 75 -10.897 5.408 -10.642 553 HA3 GLY 75 1HA GLY 75 -11.001 3.860 -11.472 554 H LEU 76 HN LEU 76 -8.646 4.655 -9.027 555 HA LEU 76 HA LEU 76 -9.917 2.727 -7.204 556 HB2 LEU 76 2HB LEU 76 -6.968 3.233 -7.620 557 HB3 LEU 76 1HB LEU 76 -7.658 2.108 -6.471 558 HG LEU 76 HG LEU 76 -7.900 1.873 -9.471 559 HD11 LEU 76 1HD1 LEU 76 -6.341 0.010 -9.255 560 HD12 LEU 76 2HD1 LEU 76 -6.177 0.335 -7.529 561 HD13 LEU 76 3HD1 LEU 76 -5.607 1.517 -8.710 562 HD21 LEU 76 3HD2 LEU 76 -9.790 0.888 -8.308 563 HD22 LEU 76 1HD2 LEU 76 -8.701 -0.003 -7.249 564 HD23 LEU 76 2HD2 LEU 76 -8.755 -0.376 -8.973 565 H ASP 77 HN ASP 77 -8.958 3.045 -4.903 566 HA ASP 77 HA ASP 77 -8.356 5.868 -4.383 567 HB2 ASP 77 2HB ASP 77 -9.773 5.847 -2.381 568 HB3 ASP 77 1HB ASP 77 -10.723 5.556 -3.827 569 H VAL 78 HN VAL 78 -7.632 6.027 -1.950 570 HA VAL 78 HA VAL 78 -5.385 4.213 -1.748 571 HB VAL 78 HB VAL 78 -6.099 6.527 0.068 572 HG11 VAL 78 1HG1 VAL 78 -3.718 6.484 0.653 573 HG12 VAL 78 2HG1 VAL 78 -3.500 5.059 -0.365 574 HG13 VAL 78 3HG1 VAL 78 -4.527 4.972 1.068 575 HG21 VAL 78 3HG2 VAL 78 -4.517 7.853 -1.236 576 HG22 VAL 78 1HG2 VAL 78 -5.852 7.289 -2.242 577 HG23 VAL 78 2HG2 VAL 78 -4.278 6.497 -2.340 578 H VAL 79 HN VAL 79 -5.899 2.278 -0.921 579 HA VAL 79 HA VAL 79 -7.918 2.072 1.157 580 HB VAL 79 HB VAL 79 -7.606 -0.384 0.934 581 HG11 VAL 79 1HG1 VAL 79 -9.274 0.806 -0.395 582 HG12 VAL 79 2HG1 VAL 79 -8.605 -0.563 -1.281 583 HG13 VAL 79 3HG1 VAL 79 -8.078 1.077 -1.661 584 HG21 VAL 79 3HG2 VAL 79 -5.681 0.363 -1.270 585 HG22 VAL 79 1HG2 VAL 79 -6.254 -1.264 -0.902 586 HG23 VAL 79 2HG2 VAL 79 -5.250 -0.398 0.261 587 H GLY 80 HN GLY 80 -4.590 2.492 1.054 588 HA2 GLY 80 2HA GLY 80 -4.229 2.538 3.778 589 HA3 GLY 80 1HA GLY 80 -3.878 0.883 3.306 590 H VAL 81 HN VAL 81 -1.796 1.533 4.269 591 HA VAL 81 HA VAL 81 0.001 2.611 2.200 592 HB VAL 81 HB VAL 81 0.485 3.217 5.094 593 HG11 VAL 81 1HG1 VAL 81 1.385 4.556 2.562 594 HG12 VAL 81 2HG1 VAL 81 2.345 3.501 3.599 595 HG13 VAL 81 3HG1 VAL 81 1.805 5.071 4.194 596 HG21 VAL 81 3HG2 VAL 81 -0.524 5.425 4.859 597 HG22 VAL 81 1HG2 VAL 81 -1.724 4.153 4.636 598 HG23 VAL 81 2HG2 VAL 81 -1.075 5.008 3.236 599 H TYR 82 HN TYR 82 2.144 1.713 2.349 600 HA TYR 82 HA TYR 82 2.349 -0.533 4.231 601 HB2 TYR 82 2HB TYR 82 3.542 -1.875 2.565 602 HB3 TYR 82 1HB TYR 82 1.919 -1.479 2.029 603 HD1 TYR 82 2HD TYR 82 5.507 -0.887 1.462 604 HD2 TYR 82 1HD TYR 82 1.560 -0.126 0.068 605 HE1 TYR 82 2HE TYR 82 6.420 -0.101 -0.682 606 HE2 TYR 82 1HE TYR 82 2.462 0.647 -2.080 607 HH TYR 82 HH TYR 82 4.556 1.582 -2.959 608 H HIS 83 HN HIS 83 4.345 -0.985 5.096 609 HA HIS 83 HA HIS 83 6.426 1.048 4.661 610 HB2 HIS 83 2HB HIS 83 5.508 0.123 7.395 611 HB3 HIS 83 1HB HIS 83 6.742 1.328 7.057 612 HD1 HIS 83 1HD HIS 83 5.966 3.737 6.712 613 HD2 HIS 83 2HD HIS 83 2.834 0.996 6.948 614 HE1 HIS 83 1HE HIS 83 3.863 5.107 6.902 615 HE2 HIS 83 2HE HIS 83 2.010 3.433 7.190 616 H SER 84 HN SER 84 8.533 0.346 5.141 617 HA SER 84 HA SER 84 8.796 -2.569 5.378 618 HB2 SER 84 2HB SER 84 10.813 -0.536 4.381 619 HB3 SER 84 1HB SER 84 11.000 -2.290 4.353 620 HG SER 84 HG SER 84 10.277 -1.786 2.362 621 H HIS 85 HN HIS 85 9.660 -3.425 7.152 622 HA HIS 85 HA HIS 85 11.070 -1.638 9.023 623 HB2 HIS 85 2HB HIS 85 9.140 -3.851 9.441 624 HB3 HIS 85 1HB HIS 85 10.508 -3.815 10.545 625 HD1 HIS 85 1HD HIS 85 8.763 -3.302 12.456 626 HD2 HIS 85 2HD HIS 85 9.130 -0.334 9.558 627 HE1 HIS 85 1HE HIS 85 7.656 -1.264 13.428 628 HE2 HIS 85 2HE HIS 85 7.761 0.484 11.615 629 HA PRO 86 HA PRO 86 14.819 -3.888 8.419 630 HB2 PRO 86 2HB PRO 86 15.305 -3.624 11.323 631 HB3 PRO 86 1HB PRO 86 16.244 -2.999 9.963 632 HG2 PRO 86 2HG PRO 86 14.791 -1.363 11.493 633 HG3 PRO 86 1HG PRO 86 14.917 -1.114 9.739 634 HD2 PRO 86 2HD PRO 86 12.687 -2.353 11.318 635 HD3 PRO 86 1HD PRO 86 12.604 -1.196 9.974 636 H ASP 87 HN ASP 87 16.196 -5.438 10.225 637 HA ASP 87 HA ASP 87 14.829 -7.936 9.944 638 HB2 ASP 87 2HB ASP 87 16.895 -8.893 10.926 639 HB3 ASP 87 1HB ASP 87 17.227 -7.810 9.578 640 H HIS 88 HN HIS 88 13.213 -6.539 11.498 641 HA HIS 88 HA HIS 88 13.207 -8.017 13.998 642 HB2 HIS 88 2HB HIS 88 13.497 -5.043 13.807 643 HB3 HIS 88 1HB HIS 88 12.466 -5.694 15.077 644 HD1 HIS 88 1HD HIS 88 15.990 -5.080 14.217 645 HD2 HIS 88 2HD HIS 88 13.865 -7.416 16.930 646 HE1 HIS 88 1HE HIS 88 17.656 -5.783 15.964 647 HE2 HIS 88 2HE HIS 88 16.308 -7.033 17.686 648 HA PRO 89 HA PRO 89 8.867 -8.540 13.572 649 HB2 PRO 89 2HB PRO 89 8.420 -6.656 15.857 650 HB3 PRO 89 1HB PRO 89 7.716 -8.251 15.560 651 HG2 PRO 89 2HG PRO 89 9.701 -7.978 17.294 652 HG3 PRO 89 1HG PRO 89 9.650 -9.371 16.196 653 HD2 PRO 89 2HD PRO 89 11.381 -6.954 16.116 654 HD3 PRO 89 1HD PRO 89 11.734 -8.615 15.602 655 H ALA 90 HN ALA 90 7.106 -7.700 12.566 656 HA ALA 90 HA ALA 90 7.452 -5.064 11.415 657 HB1 ALA 90 1HB ALA 90 6.975 -6.952 9.962 658 HB2 ALA 90 2HB ALA 90 5.689 -5.751 9.872 659 HB3 ALA 90 3HB ALA 90 5.450 -7.230 10.802 660 H ARG 91 HN ARG 91 6.302 -5.787 14.241 661 HA ARG 91 HA ARG 91 3.711 -4.540 14.140 662 HB2 ARG 91 2HB ARG 91 3.754 -4.626 16.582 663 HB3 ARG 91 1HB ARG 91 4.202 -6.183 15.904 664 HG2 ARG 91 2HG ARG 91 6.503 -5.826 16.416 665 HG3 ARG 91 1HG ARG 91 6.189 -4.150 16.870 666 HD2 ARG 91 2HD ARG 91 4.907 -4.844 18.777 667 HD3 ARG 91 1HD ARG 91 5.000 -6.533 18.279 668 HE ARG 91 HE ARG 91 7.442 -6.352 18.690 669 HH11 ARG 91 1HH1 ARG 91 5.294 -4.065 20.256 670 HH12 ARG 91 2HH1 ARG 91 6.336 -3.850 21.633 671 HH21 ARG 91 1HH2 ARG 91 8.808 -6.050 20.477 672 HH22 ARG 91 2HH2 ARG 91 8.330 -4.966 21.752 673 HA PRO 92 HA PRO 92 4.914 -0.318 14.124 674 HB2 PRO 92 2HB PRO 92 3.055 0.722 15.877 675 HB3 PRO 92 1HB PRO 92 2.737 0.357 14.178 676 HG2 PRO 92 2HG PRO 92 2.127 -1.269 16.612 677 HG3 PRO 92 1HG PRO 92 1.126 -0.985 15.175 678 HD2 PRO 92 2HD PRO 92 2.467 -3.276 15.497 679 HD3 PRO 92 1HD PRO 92 2.313 -2.519 13.896 680 H SER 93 HN SER 93 6.602 0.583 15.091 681 HA SER 93 HA SER 93 7.206 0.043 17.869 682 HB2 SER 93 2HB SER 93 8.985 0.159 16.109 683 HB3 SER 93 1HB SER 93 8.616 1.866 15.889 684 HG SER 93 HG SER 93 10.345 1.710 17.288 685 H ALA 94 HN ALA 94 8.167 2.362 18.872 686 HA ALA 94 HA ALA 94 5.878 3.735 19.713 687 HB1 ALA 94 1HB ALA 94 8.736 4.700 19.778 688 HB2 ALA 94 2HB ALA 94 7.962 3.683 20.993 689 HB3 ALA 94 3HB ALA 94 7.399 5.335 20.740 690 H THR 95 HN THR 95 8.263 4.529 17.226 691 HA THR 95 HA THR 95 7.170 7.071 16.578 692 HB THR 95 HB THR 95 8.849 5.293 14.793 693 HG1 THR 95 1HG THR 95 10.233 7.189 16.150 694 HG21 THR 95 3HG2 THR 95 8.553 8.300 14.953 695 HG22 THR 95 1HG2 THR 95 7.908 7.265 13.680 696 HG23 THR 95 2HG2 THR 95 9.651 7.432 13.881 697 H ASP 96 HN ASP 96 6.763 3.815 15.159 698 HA ASP 96 HA ASP 96 5.094 4.536 13.026 699 HB2 ASP 96 2HB ASP 96 4.918 1.985 14.660 700 HB3 ASP 96 1HB ASP 96 4.287 2.226 13.038 701 H LEU 97 HN LEU 97 4.391 3.764 16.387 702 HA LEU 97 HA LEU 97 1.582 3.952 16.291 703 HB2 LEU 97 2HB LEU 97 3.419 3.291 18.186 704 HB3 LEU 97 1HB LEU 97 2.970 4.889 18.735 705 HG LEU 97 HG LEU 97 1.650 3.345 19.944 706 HD11 LEU 97 1HD1 LEU 97 -0.641 3.897 19.283 707 HD12 LEU 97 2HD1 LEU 97 -0.040 4.506 17.739 708 HD13 LEU 97 3HD1 LEU 97 0.422 5.304 19.244 709 HD21 LEU 97 3HD2 LEU 97 0.883 2.112 17.308 710 HD22 LEU 97 1HD2 LEU 97 0.254 1.647 18.888 711 HD23 LEU 97 2HD2 LEU 97 1.960 1.410 18.515 712 H GLU 98 HN GLU 98 4.108 6.326 16.998 713 HA GLU 98 HA GLU 98 2.365 8.457 17.646 714 HB2 GLU 98 2HB GLU 98 5.284 8.305 16.942 715 HB3 GLU 98 1HB GLU 98 4.505 9.840 17.273 716 HG2 GLU 98 2HG GLU 98 3.850 9.015 19.491 717 HG3 GLU 98 1HG GLU 98 4.672 7.493 19.152 718 H GLU 99 HN GLU 99 3.724 7.347 14.623 719 HA GLU 99 HA GLU 99 2.975 9.749 13.215 720 HB2 GLU 99 2HB GLU 99 4.109 7.109 12.332 721 HB3 GLU 99 1HB GLU 99 3.616 8.341 11.177 722 HG2 GLU 99 2HG GLU 99 5.680 8.668 13.339 723 HG3 GLU 99 1HG GLU 99 6.002 8.446 11.619 724 H ALA 100 HN ALA 100 1.382 6.883 14.117 725 HA ALA 100 HA ALA 100 -0.484 6.841 11.938 726 HB1 ALA 100 1HB ALA 100 -1.659 5.149 13.205 727 HB2 ALA 100 2HB ALA 100 -0.703 5.522 14.639 728 HB3 ALA 100 3HB ALA 100 0.072 4.815 13.223 729 H THR 101 HN THR 101 -1.043 9.107 12.009 730 HA THR 101 HA THR 101 -2.857 9.839 14.199 731 HB THR 101 HB THR 101 -1.800 11.698 12.084 732 HG1 THR 101 1HG THR 101 -0.446 10.460 14.120 733 HG21 THR 101 3HG2 THR 101 -2.739 12.142 14.924 734 HG22 THR 101 1HG2 THR 101 -3.655 12.518 13.461 735 HG23 THR 101 2HG2 THR 101 -2.168 13.394 13.822 736 H PHE 102 HN PHE 102 -2.824 8.842 10.957 737 HA PHE 102 HA PHE 102 -5.444 10.046 10.427 738 HB2 PHE 102 2HB PHE 102 -4.871 9.569 7.982 739 HB3 PHE 102 1HB PHE 102 -3.992 10.864 8.778 740 HD1 PHE 102 2HD PHE 102 -1.644 10.365 9.629 741 HD2 PHE 102 1HD PHE 102 -3.739 7.806 6.948 742 HE1 PHE 102 2HE PHE 102 0.485 9.336 8.954 743 HE2 PHE 102 1HE PHE 102 -1.611 6.773 6.268 744 HZ PHE 102 HZ PHE 102 0.504 7.537 7.273 745 HA PRO 103 HA PRO 103 -6.450 5.625 10.962 746 HB2 PRO 103 2HB PRO 103 -8.960 6.022 11.879 747 HB3 PRO 103 1HB PRO 103 -7.540 6.174 12.921 748 HG2 PRO 103 2HG PRO 103 -9.139 8.313 11.571 749 HG3 PRO 103 1HG PRO 103 -8.490 8.273 13.221 750 HD2 PRO 103 2HD PRO 103 -7.290 9.624 11.187 751 HD3 PRO 103 1HD PRO 103 -6.392 8.924 12.547 752 H GLY 104 HN GLY 104 -8.075 4.266 9.948 753 HA2 GLY 104 2HA GLY 104 -9.946 4.017 8.446 754 HA3 GLY 104 1HA GLY 104 -9.512 5.563 7.729 755 H PHE 105 HN PHE 105 -6.619 4.415 8.045 756 HA PHE 105 HA PHE 105 -6.669 3.002 5.473 757 HB2 PHE 105 2HB PHE 105 -4.473 4.647 6.742 758 HB3 PHE 105 1HB PHE 105 -4.303 3.751 5.236 759 HD1 PHE 105 2HD PHE 105 -5.722 4.389 3.281 760 HD2 PHE 105 1HD PHE 105 -5.437 6.787 6.781 761 HE1 PHE 105 2HE PHE 105 -6.570 6.320 2.018 762 HE2 PHE 105 1HE PHE 105 -6.287 8.728 5.527 763 HZ PHE 105 HZ PHE 105 -6.850 8.494 3.137 764 H THR 106 HN THR 106 -5.420 1.155 5.190 765 HA THR 106 HA THR 106 -4.771 -0.272 7.646 766 HB THR 106 HB THR 106 -4.622 -1.309 4.808 767 HG1 THR 106 1HG THR 106 -6.784 -0.571 6.196 768 HG21 THR 106 3HG2 THR 106 -3.458 -2.669 6.473 769 HG22 THR 106 1HG2 THR 106 -4.898 -3.500 5.887 770 HG23 THR 106 2HG2 THR 106 -4.912 -2.716 7.468 771 H TYR 107 HN TYR 107 -2.727 -0.429 8.381 772 HA TYR 107 HA TYR 107 -0.556 0.488 6.636 773 HB2 TYR 107 2HB TYR 107 -0.536 -0.075 9.606 774 HB3 TYR 107 1HB TYR 107 0.788 0.622 8.682 775 HD1 TYR 107 1HD TYR 107 0.091 2.826 7.330 776 HD2 TYR 107 2HD TYR 107 -1.873 1.346 10.802 777 HE1 TYR 107 1HE TYR 107 -0.763 5.084 7.803 778 HE2 TYR 107 2HE TYR 107 -2.734 3.596 11.282 779 HH TYR 107 HH TYR 107 -2.281 5.869 10.796 780 H VAL 108 HN VAL 108 0.297 -1.121 5.459 781 HA VAL 108 HA VAL 108 0.589 -3.770 6.678 782 HB VAL 108 HB VAL 108 1.112 -2.904 3.826 783 HG11 VAL 108 1HG1 VAL 108 0.944 -5.669 5.014 784 HG12 VAL 108 2HG1 VAL 108 2.427 -4.856 4.514 785 HG13 VAL 108 3HG1 VAL 108 1.204 -5.278 3.314 786 HG21 VAL 108 3HG2 VAL 108 -1.243 -2.713 4.386 787 HG22 VAL 108 1HG2 VAL 108 -1.241 -4.361 5.015 788 HG23 VAL 108 2HG2 VAL 108 -0.975 -4.073 3.296 789 H ILE 109 HN ILE 109 2.402 -4.175 7.705 790 HA ILE 109 HA ILE 109 4.860 -2.791 6.837 791 HB ILE 109 HB ILE 109 4.282 -3.888 9.598 792 HG12 ILE 109 2HG1 ILE 109 4.220 -1.018 8.622 793 HG13 ILE 109 1HG1 ILE 109 2.810 -1.972 9.072 794 HG21 ILE 109 1HG2 ILE 109 6.274 -2.605 10.242 795 HG22 ILE 109 2HG2 ILE 109 6.501 -2.126 8.559 796 HG23 ILE 109 3HG2 ILE 109 6.646 -3.822 9.020 797 HD11 ILE 109 3HD1 ILE 109 3.435 -0.433 10.838 798 HD12 ILE 109 1HD1 ILE 109 5.046 -1.144 10.908 799 HD13 ILE 109 2HD1 ILE 109 3.638 -2.102 11.366 800 H VAL 110 HN VAL 110 6.493 -4.023 6.142 801 HA VAL 110 HA VAL 110 6.254 -6.938 6.506 802 HB VAL 110 HB VAL 110 6.103 -6.269 4.171 803 HG11 VAL 110 1HG1 VAL 110 8.802 -4.993 4.569 804 HG12 VAL 110 2HG1 VAL 110 7.280 -4.156 4.257 805 HG13 VAL 110 3HG1 VAL 110 7.985 -5.199 3.022 806 HG21 VAL 110 3HG2 VAL 110 8.736 -7.599 4.822 807 HG22 VAL 110 1HG2 VAL 110 7.953 -7.621 3.241 808 HG23 VAL 110 2HG2 VAL 110 7.175 -8.396 4.621 809 H SER 111 HN SER 111 7.840 -8.059 7.448 810 HA SER 111 HA SER 111 10.160 -6.651 8.469 811 HB2 SER 111 2HB SER 111 8.957 -9.368 8.930 812 HB3 SER 111 1HB SER 111 10.562 -8.962 9.528 813 HG SER 111 HG SER 111 9.712 -7.497 10.888 814 H VAL 112 HN VAL 112 11.819 -6.448 7.111 815 HA VAL 112 HA VAL 112 12.452 -8.693 5.316 816 HB VAL 112 HB VAL 112 13.491 -5.855 5.160 817 HG11 VAL 112 1HG1 VAL 112 13.575 -8.123 3.169 818 HG12 VAL 112 2HG1 VAL 112 14.937 -7.519 4.112 819 HG13 VAL 112 3HG1 VAL 112 14.177 -6.486 2.901 820 HG21 VAL 112 3HG2 VAL 112 11.924 -5.557 3.294 821 HG22 VAL 112 1HG2 VAL 112 11.084 -5.866 4.814 822 HG23 VAL 112 2HG2 VAL 112 11.243 -7.152 3.618 823 H ARG 113 HN ARG 113 14.039 -9.978 5.949 824 HA ARG 113 HA ARG 113 15.893 -8.997 7.997 825 HB2 ARG 113 2HB ARG 113 15.357 -11.828 7.077 826 HB3 ARG 113 1HB ARG 113 16.365 -11.357 8.439 827 HG2 ARG 113 2HG ARG 113 14.437 -10.459 9.598 828 HG3 ARG 113 1HG ARG 113 13.410 -10.820 8.212 829 HD2 ARG 113 2HD ARG 113 13.058 -12.530 9.826 830 HD3 ARG 113 1HD ARG 113 13.994 -13.232 8.508 831 HE ARG 113 HE ARG 113 15.989 -12.843 10.022 832 HH11 ARG 113 1HH1 ARG 113 12.741 -13.357 11.277 833 HH12 ARG 113 2HH1 ARG 113 13.307 -14.035 12.779 834 HH21 ARG 113 1HH2 ARG 113 16.712 -13.767 11.988 835 HH22 ARG 113 2HH2 ARG 113 15.555 -14.277 13.178 836 H ASP 114 HN ASP 114 17.282 -7.827 6.753 837 HA ASP 114 HA ASP 114 19.268 -7.474 5.715 838 HB2 ASP 114 2HB ASP 114 20.005 -9.563 6.845 839 HB3 ASP 114 1HB ASP 114 19.456 -10.462 5.437 840 H GLY 115 HN GLY 115 16.703 -9.036 4.273 841 HA2 GLY 115 2HA GLY 115 16.575 -7.930 1.868 842 HA3 GLY 115 1HA GLY 115 17.831 -9.135 1.597 843 H ALA 116 HN ALA 116 16.480 -10.807 3.717 844 HA ALA 116 HA ALA 116 14.530 -12.052 1.924 845 HB1 ALA 116 1HB ALA 116 16.317 -13.469 2.814 846 HB2 ALA 116 2HB ALA 116 14.728 -14.011 3.356 847 HB3 ALA 116 3HB ALA 116 15.776 -13.115 4.455 848 HA PRO 117 HA PRO 117 11.403 -10.181 4.599 849 HB2 PRO 117 2HB PRO 117 9.548 -11.193 2.575 850 HB3 PRO 117 1HB PRO 117 9.864 -9.526 3.061 851 HG2 PRO 117 2HG PRO 117 10.613 -10.498 0.656 852 HG3 PRO 117 1HG PRO 117 11.536 -9.249 1.512 853 HD2 PRO 117 2HD PRO 117 12.066 -12.192 1.307 854 HD3 PRO 117 1HD PRO 117 13.208 -10.832 1.215 855 H GLU 118 HN GLU 118 10.892 -11.365 6.327 856 HA GLU 118 HA GLU 118 10.460 -14.198 6.184 857 HB2 GLU 118 2HB GLU 118 11.522 -13.141 8.139 858 HB3 GLU 118 1HB GLU 118 10.033 -12.271 8.476 859 HG2 GLU 118 2HG GLU 118 8.879 -14.341 8.930 860 HG3 GLU 118 1HG GLU 118 10.310 -15.266 8.487 861 H ALA 119 HN ALA 119 8.402 -11.589 7.430 862 HA ALA 119 HA ALA 119 6.127 -12.656 5.978 863 HB1 ALA 119 1HB ALA 119 6.082 -12.393 8.988 864 HB2 ALA 119 2HB ALA 119 6.090 -13.910 8.089 865 HB3 ALA 119 3HB ALA 119 4.711 -12.819 7.962 866 H LEU 120 HN LEU 120 4.347 -11.180 5.917 867 HA LEU 120 HA LEU 120 5.008 -8.478 6.833 868 HB2 LEU 120 2HB LEU 120 3.945 -7.492 4.927 869 HB3 LEU 120 1HB LEU 120 5.158 -8.621 4.381 870 HG LEU 120 HG LEU 120 3.373 -8.804 2.878 871 HD11 LEU 120 1HD1 LEU 120 2.581 -11.055 3.045 872 HD12 LEU 120 2HD1 LEU 120 2.949 -11.097 4.768 873 HD13 LEU 120 3HD1 LEU 120 4.257 -10.975 3.589 874 HD21 LEU 120 3HD2 LEU 120 1.034 -9.209 3.533 875 HD22 LEU 120 1HD2 LEU 120 1.652 -7.648 4.073 876 HD23 LEU 120 2HD2 LEU 120 1.496 -8.977 5.219 877 H THR 121 HN THR 121 3.429 -7.309 7.833 878 HA THR 121 HA THR 121 0.924 -8.768 8.366 879 HB THR 121 HB THR 121 0.999 -7.703 10.668 880 HG1 THR 121 1HG THR 121 3.124 -6.519 9.670 881 HG21 THR 121 3HG2 THR 121 1.484 -10.086 10.311 882 HG22 THR 121 1HG2 THR 121 2.460 -9.406 11.615 883 HG23 THR 121 2HG2 THR 121 3.179 -9.688 10.031 884 H ALA 122 HN ALA 122 -0.937 -7.542 8.581 885 HA ALA 122 HA ALA 122 -0.659 -4.734 7.750 886 HB1 ALA 122 1HB ALA 122 -3.025 -6.590 7.442 887 HB2 ALA 122 2HB ALA 122 -1.903 -6.132 6.161 888 HB3 ALA 122 3HB ALA 122 -2.950 -4.916 6.894 889 H TRP 123 HN TRP 123 -1.923 -3.178 8.801 890 HA TRP 123 HA TRP 123 -3.023 -3.997 11.390 891 HB2 TRP 123 2HB TRP 123 -1.010 -1.786 10.934 892 HB3 TRP 123 1HB TRP 123 -1.824 -2.116 12.461 893 HD1 TRP 123 1HD TRP 123 0.952 -3.442 10.184 894 HE1 TRP 123 1HE TRP 123 2.343 -5.160 11.520 895 HE3 TRP 123 3HE TRP 123 -2.014 -3.840 14.329 896 HZ2 TRP 123 2HZ TRP 123 2.182 -6.511 13.998 897 HZ3 TRP 123 3HZ TRP 123 -1.349 -5.377 16.124 898 HH2 TRP 123 2HH TRP 123 0.724 -6.679 15.968 899 H ALA 124 HN ALA 124 -4.817 -2.982 11.958 900 HA ALA 124 HA ALA 124 -5.663 -0.653 10.378 901 HB1 ALA 124 1HB ALA 124 -7.316 -2.499 12.106 902 HB2 ALA 124 2HB ALA 124 -7.204 -2.561 10.347 903 HB3 ALA 124 3HB ALA 124 -7.924 -1.158 11.136 904 H LEU 125 HN LEU 125 -5.679 1.269 11.335 905 HA LEU 125 HA LEU 125 -4.870 1.484 14.093 906 HB2 LEU 125 2HB LEU 125 -3.918 3.013 12.483 907 HB3 LEU 125 1HB LEU 125 -5.510 3.557 11.996 908 HG LEU 125 HG LEU 125 -5.825 4.496 14.295 909 HD11 LEU 125 1HD1 LEU 125 -3.836 4.820 15.688 910 HD12 LEU 125 2HD1 LEU 125 -2.898 3.823 14.573 911 HD13 LEU 125 3HD1 LEU 125 -4.227 3.111 15.491 912 HD21 LEU 125 3HD2 LEU 125 -5.177 5.912 12.438 913 HD22 LEU 125 1HD2 LEU 125 -3.480 5.515 12.703 914 HD23 LEU 125 2HD2 LEU 125 -4.369 6.434 13.918 915 H ALA 126 HN ALA 126 -6.147 1.880 15.793 916 HA ALA 126 HA ALA 126 -8.953 1.829 15.616 917 HB1 ALA 126 1HB ALA 126 -7.198 2.890 17.837 918 HB2 ALA 126 2HB ALA 126 -7.794 1.238 17.675 919 HB3 ALA 126 3HB ALA 126 -8.925 2.557 17.971 920 HA PRO 127 HA PRO 127 -9.940 5.747 13.914 921 HB2 PRO 127 2HB PRO 127 -12.150 5.762 15.918 922 HB3 PRO 127 1HB PRO 127 -12.215 6.009 14.169 923 HG2 PRO 127 2HG PRO 127 -12.993 3.702 15.218 924 HG3 PRO 127 1HG PRO 127 -12.057 3.736 13.710 925 HD2 PRO 127 2HD PRO 127 -11.171 3.044 16.479 926 HD3 PRO 127 1HD PRO 127 -10.680 2.334 14.927 927 H ASP 128 HN ASP 128 -9.888 5.458 17.427 928 HA ASP 128 HA ASP 128 -9.768 8.324 17.817 929 HB2 ASP 128 2HB ASP 128 -9.461 6.080 19.826 930 HB3 ASP 128 1HB ASP 128 -9.704 7.785 20.200 931 H ARG 129 HN ARG 129 -7.558 6.344 16.661 932 HA ARG 129 HA ARG 129 -5.292 6.282 16.522 933 HB2 ARG 129 2HB ARG 129 -5.511 8.899 18.013 934 HB3 ARG 129 1HB ARG 129 -3.983 8.229 17.469 935 HG2 ARG 129 2HG ARG 129 -4.505 9.755 15.822 936 HG3 ARG 129 1HG ARG 129 -5.066 8.235 15.131 937 HD2 ARG 129 2HD ARG 129 -7.325 8.748 15.594 938 HD3 ARG 129 1HD ARG 129 -6.882 10.088 16.652 939 HE ARG 129 HE ARG 129 -6.124 10.270 13.833 940 HH11 ARG 129 1HH1 ARG 129 -8.295 11.237 16.399 941 HH12 ARG 129 2HH1 ARG 129 -8.787 12.706 15.610 942 HH21 ARG 129 1HH2 ARG 129 -6.815 12.165 12.749 943 HH22 ARG 129 2HH2 ARG 129 -7.978 13.214 13.515 944 H SER 130 HN SER 130 -6.847 5.257 18.875 945 HA SER 130 HA SER 130 -5.277 5.612 21.214 946 HB2 SER 130 2HB SER 130 -6.788 3.571 21.914 947 HB3 SER 130 1HB SER 130 -7.501 5.167 21.678 948 HG SER 130 HG SER 130 -8.737 3.699 20.537 949 H GLU 131 HN GLU 131 -5.668 2.877 18.958 950 HA GLU 131 HA GLU 131 -3.057 1.869 19.707 951 HB2 GLU 131 2HB GLU 131 -3.870 -0.322 20.402 952 HB3 GLU 131 1HB GLU 131 -4.549 0.928 21.439 953 HG2 GLU 131 2HG GLU 131 -6.638 0.844 20.220 954 HG3 GLU 131 1HG GLU 131 -5.963 -0.339 19.104 955 H PHE 132 HN PHE 132 -2.795 -0.387 18.577 956 HA PHE 132 HA PHE 132 -3.896 -0.175 15.853 957 HB2 PHE 132 2HB PHE 132 -1.312 -1.229 16.944 958 HB3 PHE 132 1HB PHE 132 -1.947 -1.896 15.445 959 HD1 PHE 132 1HD PHE 132 -1.338 1.456 16.981 960 HD2 PHE 132 2HD PHE 132 -1.199 -0.984 13.500 961 HE1 PHE 132 1HE PHE 132 -0.327 3.312 15.723 962 HE2 PHE 132 2HE PHE 132 -0.188 0.866 12.236 963 HZ PHE 132 HZ PHE 132 0.250 3.017 13.349 964 H HIS 133 HN HIS 133 -4.814 -1.948 14.880 965 HA HIS 133 HA HIS 133 -5.035 -4.395 16.508 966 HB2 HIS 133 2HB HIS 133 -7.148 -3.096 14.776 967 HB3 HIS 133 1HB HIS 133 -7.250 -4.763 15.312 968 HD1 HIS 133 1HD HIS 133 -8.419 -5.139 17.449 969 HD2 HIS 133 2HD HIS 133 -7.109 -1.206 17.069 970 HE1 HIS 133 1HE HIS 133 -9.302 -3.933 19.468 971 HE2 HIS 133 2HE HIS 133 -8.237 -1.656 19.363 972 H ARG 134 HN ARG 134 -4.797 -6.304 15.420 973 HA ARG 134 HA ARG 134 -3.133 -6.008 13.091 974 HB2 ARG 134 2HB ARG 134 -2.512 -7.450 14.966 975 HB3 ARG 134 1HB ARG 134 -3.859 -8.507 14.552 976 HG2 ARG 134 2HG ARG 134 -2.892 -9.033 12.445 977 HG3 ARG 134 1HG ARG 134 -1.642 -7.804 12.646 978 HD2 ARG 134 2HD ARG 134 -0.554 -9.004 14.284 979 HD3 ARG 134 1HD ARG 134 -1.979 -9.970 14.624 980 HE ARG 134 HE ARG 134 -1.072 -10.445 11.980 981 HH11 ARG 134 1HH1 ARG 134 -0.303 -11.178 15.329 982 HH12 ARG 134 2HH1 ARG 134 0.493 -12.674 14.937 983 HH21 ARG 134 1HH2 ARG 134 -0.042 -12.408 11.478 984 HH22 ARG 134 2HH2 ARG 134 0.635 -13.378 12.749 985 H GLU 135 HN GLU 135 -3.430 -6.802 11.119 986 HA GLU 135 HA GLU 135 -5.987 -8.114 10.490 987 HB2 GLU 135 2HB GLU 135 -6.003 -5.803 9.640 988 HB3 GLU 135 1HB GLU 135 -4.478 -6.089 8.813 989 HG2 GLU 135 2HG GLU 135 -6.327 -6.159 7.257 990 HG3 GLU 135 1HG GLU 135 -5.556 -7.739 7.378 991 H ASP 136 HN ASP 136 -5.835 -9.609 8.683 992 HA ASP 136 HA ASP 136 -3.087 -10.609 8.323 993 HB2 ASP 136 2HB ASP 136 -4.753 -11.929 9.874 994 HB3 ASP 136 1HB ASP 136 -5.419 -12.489 8.343 995 H ILE 137 HN ILE 137 -3.285 -12.435 6.448 996 HA ILE 137 HA ILE 137 -4.256 -10.876 4.177 997 HB ILE 137 HB ILE 137 -2.462 -13.305 4.234 998 HG12 ILE 137 2HG1 ILE 137 -1.382 -11.326 5.199 999 HG13 ILE 137 1HG1 ILE 137 -0.671 -11.715 3.636 1000 HG21 ILE 137 1HG2 ILE 137 -2.033 -12.795 1.870 1001 HG22 ILE 137 2HG2 ILE 137 -3.238 -11.508 1.938 1002 HG23 ILE 137 3HG2 ILE 137 -3.727 -13.188 2.163 1003 HD11 ILE 137 3HD1 ILE 137 -1.970 -9.938 2.596 1004 HD12 ILE 137 1HD1 ILE 137 -0.980 -9.315 3.917 1005 HD13 ILE 137 2HD1 ILE 137 -2.711 -9.562 4.152 1006 H VAL 138 HN VAL 138 -6.205 -11.306 3.464 1007 HA VAL 138 HA VAL 138 -7.137 -14.089 3.487 1008 HB VAL 138 HB VAL 138 -9.492 -12.892 3.618 1009 HG11 VAL 138 1HG1 VAL 138 -7.713 -13.356 6.015 1010 HG12 VAL 138 2HG1 VAL 138 -8.704 -14.569 5.201 1011 HG13 VAL 138 3HG1 VAL 138 -9.470 -13.231 6.060 1012 HG21 VAL 138 3HG2 VAL 138 -8.619 -10.626 3.624 1013 HG22 VAL 138 1HG2 VAL 138 -7.687 -10.974 5.081 1014 HG23 VAL 138 2HG2 VAL 138 -9.450 -10.978 5.139 1015 H ARG 139 HN ARG 139 -8.245 -14.809 1.754 1016 HA ARG 139 HA ARG 139 -7.884 -13.364 -0.708 1017 HB2 ARG 139 2HB ARG 139 -9.018 -16.056 0.010 1018 HB3 ARG 139 1HB ARG 139 -9.140 -15.414 -1.617 1019 HG2 ARG 139 2HG ARG 139 -6.660 -15.226 -1.658 1020 HG3 ARG 139 1HG ARG 139 -6.624 -16.056 -0.100 1021 HD2 ARG 139 2HD ARG 139 -6.290 -17.525 -2.124 1022 HD3 ARG 139 1HD ARG 139 -7.582 -18.022 -1.029 1023 HE ARG 139 HE ARG 139 -9.160 -17.448 -2.637 1024 HH11 ARG 139 1HH1 ARG 139 -5.931 -16.630 -3.718 1025 HH12 ARG 139 2HH1 ARG 139 -6.431 -16.281 -5.353 1026 HH21 ARG 139 1HH2 ARG 139 -9.829 -16.988 -4.768 1027 HH22 ARG 139 2HH2 ARG 139 -8.644 -16.512 -5.954 1028 HA PRO 140 HA PRO 140 -12.104 -11.863 -1.019 1029 HB2 PRO 140 2HB PRO 140 -11.776 -11.803 -3.905 1030 HB3 PRO 140 1HB PRO 140 -11.916 -10.452 -2.779 1031 HG2 PRO 140 2HG PRO 140 -9.622 -11.050 -4.124 1032 HG3 PRO 140 1HG PRO 140 -9.649 -10.240 -2.547 1033 HD2 PRO 140 2HD PRO 140 -9.099 -13.111 -3.195 1034 HD3 PRO 140 1HD PRO 140 -8.323 -12.055 -1.995 1035 H ASP 141 HN ASP 141 -13.163 -13.779 -0.464 1036 HA ASP 141 HA ASP 141 -13.810 -15.547 -2.728 1037 HB2 ASP 141 2HB ASP 141 -12.278 -16.543 -0.939 1038 HB3 ASP 141 1HB ASP 141 -13.668 -16.470 0.141 1039 HA PRO 142 HA PRO 142 -17.805 -14.040 -1.487 1040 HB2 PRO 142 2HB PRO 142 -19.084 -14.513 -3.777 1041 HB3 PRO 142 1HB PRO 142 -17.823 -13.278 -3.683 1042 HG2 PRO 142 2HG PRO 142 -17.680 -16.047 -4.793 1043 HG3 PRO 142 1HG PRO 142 -16.948 -14.554 -5.404 1044 HD2 PRO 142 2HD PRO 142 -15.649 -16.490 -3.877 1045 HD3 PRO 142 1HD PRO 142 -15.095 -14.822 -4.114 1046 H GLU 143 HN GLU 143 -16.951 -16.809 -0.850 1047 HA GLU 143 HA GLU 143 -19.593 -18.104 -1.023 1048 HB2 GLU 143 2HB GLU 143 -16.899 -19.400 -0.612 1049 HB3 GLU 143 1HB GLU 143 -18.440 -20.242 -0.617 1050 HG2 GLU 143 2HG GLU 143 -18.669 -19.106 -2.978 1051 HG3 GLU 143 1HG GLU 143 -16.907 -19.076 -2.872 1052 H ALA 144 HN ALA 144 -17.555 -16.473 0.985 1053 HA ALA 144 HA ALA 144 -18.106 -17.794 3.453 1054 HB1 ALA 144 1HB ALA 144 -16.170 -16.310 3.199 1055 HB2 ALA 144 2HB ALA 144 -17.225 -15.769 4.506 1056 HB3 ALA 144 3HB ALA 144 -17.250 -14.938 2.950 1057 HA PRO 145 HA PRO 145 -22.350 -16.459 3.712 1058 HB2 PRO 145 2HB PRO 145 -22.686 -17.122 6.364 1059 HB3 PRO 145 1HB PRO 145 -22.871 -18.232 5.007 1060 HG2 PRO 145 2HG PRO 145 -20.575 -17.886 6.875 1061 HG3 PRO 145 1HG PRO 145 -21.201 -19.367 6.128 1062 HD2 PRO 145 2HD PRO 145 -18.959 -18.106 5.263 1063 HD3 PRO 145 1HD PRO 145 -20.024 -19.036 4.189 1064 H LEU 146 HN LEU 146 -23.180 -14.547 4.113 1065 HA LEU 146 HA LEU 146 -21.662 -12.600 5.545 1066 HB2 LEU 146 2HB LEU 146 -23.267 -10.997 4.861 1067 HB3 LEU 146 1HB LEU 146 -22.976 -12.056 3.513 1068 HG LEU 146 HG LEU 146 -25.254 -11.596 3.427 1069 HD11 LEU 146 1HD1 LEU 146 -24.890 -13.958 3.146 1070 HD12 LEU 146 2HD1 LEU 146 -26.443 -13.660 3.928 1071 HD13 LEU 146 3HD1 LEU 146 -25.067 -14.216 4.882 1072 HD21 LEU 146 3HD2 LEU 146 -25.447 -12.099 6.387 1073 HD22 LEU 146 1HD2 LEU 146 -26.795 -11.711 5.316 1074 HD23 LEU 146 2HD2 LEU 146 -25.511 -10.531 5.580 1075 H GLU 147 HN GLU 147 -22.188 -11.544 7.452 1076 HA GLU 147 HA GLU 147 -23.460 -13.284 9.354 1077 HB2 GLU 147 2HB GLU 147 -21.421 -11.373 9.441 1078 HB3 GLU 147 1HB GLU 147 -22.727 -10.682 10.392 1079 HG2 GLU 147 2HG GLU 147 -21.551 -13.423 10.802 1080 HG3 GLU 147 1HG GLU 147 -21.133 -11.985 11.730 1081 H HIS 148 HN HIS 148 -25.212 -12.819 10.612 1082 HA HIS 148 HA HIS 148 -26.887 -10.566 9.741 1083 HB2 HIS 148 2HB HIS 148 -28.754 -12.404 10.532 1084 HB3 HIS 148 1HB HIS 148 -28.309 -12.076 8.865 1085 HD1 HIS 148 1HD HIS 148 -27.522 -14.001 7.547 1086 HD2 HIS 148 2HD HIS 148 -27.297 -14.720 11.636 1087 HE1 HIS 148 1HE HIS 148 -26.798 -16.399 7.773 1088 HE2 HIS 148 2HE HIS 148 -26.843 -16.863 10.250 1089 H HIS 149 HN HIS 149 -26.166 -9.382 11.441 1090 HA HIS 149 HA HIS 149 -26.053 -10.260 14.109 1091 HB2 HIS 149 2HB HIS 149 -25.858 -7.858 14.688 1092 HB3 HIS 149 1HB HIS 149 -24.768 -8.327 13.392 1093 HD1 HIS 149 1HD HIS 149 -27.218 -5.825 14.283 1094 HD2 HIS 149 2HD HIS 149 -25.821 -7.504 10.742 1095 HE1 HIS 149 1HE HIS 149 -27.930 -4.250 12.452 1096 HE2 HIS 149 2HE HIS 149 -27.106 -5.299 10.313 1097 H HIS 150 HN HIS 150 -27.649 -10.786 15.393 1098 HA HIS 150 HA HIS 150 -30.240 -9.434 15.031 1099 HB2 HIS 150 2HB HIS 150 -29.625 -12.235 15.986 1100 HB3 HIS 150 1HB HIS 150 -31.214 -11.486 16.126 1101 HD1 HIS 150 1HD HIS 150 -30.246 -14.024 14.294 1102 HD2 HIS 150 2HD HIS 150 -31.298 -10.190 13.078 1103 HE1 HIS 150 1HE HIS 150 -30.921 -14.240 11.885 1104 HE2 HIS 150 2HE HIS 150 -31.798 -11.963 11.264 1105 H HIS 151 HN HIS 151 -30.407 -7.895 16.480 1106 HA HIS 151 HA HIS 151 -29.650 -8.495 19.272 1107 HB2 HIS 151 2HB HIS 151 -28.286 -6.719 17.897 1108 HB3 HIS 151 1HB HIS 151 -29.687 -5.695 18.186 1109 HD1 HIS 151 1HD HIS 151 -30.322 -5.514 20.901 1110 HD2 HIS 151 2HD HIS 151 -26.442 -6.589 19.852 1111 HE1 HIS 151 1HE HIS 151 -28.918 -5.074 22.942 1112 HE2 HIS 151 2HE HIS 151 -26.559 -5.654 22.258 1113 H HIS 152 HN HIS 152 -32.141 -9.130 18.282 1114 HA HIS 152 HA HIS 152 -34.047 -7.043 18.627 1115 HB2 HIS 152 2HB HIS 152 -34.469 -9.071 17.262 1116 HB3 HIS 152 1HB HIS 152 -34.467 -10.039 18.730 1117 HD1 HIS 152 1HD HIS 152 -36.406 -7.065 17.322 1118 HD2 HIS 152 2HD HIS 152 -36.943 -10.397 19.756 1119 HE1 HIS 152 1HE HIS 152 -38.851 -7.100 17.895 1120 HE2 HIS 152 2HE HIS 152 -39.188 -9.250 19.158 1121 H HIS 153 HN HIS 153 -32.256 -8.920 20.795 1122 HA HIS 153 HA HIS 153 -33.886 -7.877 23.014 1123 HB2 HIS 153 2HB HIS 153 -32.886 -10.599 22.553 1124 HB3 HIS 153 1HB HIS 153 -32.487 -9.959 24.144 1125 HD1 HIS 153 1HD HIS 153 -34.101 -11.421 25.448 1126 HD2 HIS 153 2HD HIS 153 -35.942 -9.228 22.436 1127 HE1 HIS 153 1HE HIS 153 -36.568 -11.674 25.843 1128 HE2 HIS 153 2HE HIS 153 -37.649 -10.146 24.152 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -10.355 -6.633 4.323 2 H2 MET 1 H2 MET 1 -9.142 -6.046 5.350 3 H3 MET 1 H3 MET 1 -9.164 -7.677 4.909 4 HA MET 1 HA MET 1 -8.800 -5.453 3.003 5 HB2 MET 1 2HB MET 1 -6.902 -5.563 4.529 6 HB3 MET 1 1HB MET 1 -6.780 -7.301 4.299 7 HG2 MET 1 2HG MET 1 -6.217 -6.915 1.929 8 HG3 MET 1 1HG MET 1 -6.257 -5.178 2.230 9 HE1 MET 1 2HE MET 1 -3.763 -6.671 0.946 10 HE2 MET 1 3HE MET 1 -2.418 -5.944 1.826 11 HE3 MET 1 1HE MET 1 -3.756 -4.940 1.275 12 H LYS 2 HN LYS 2 -9.347 -6.086 1.013 13 HA LYS 2 HA LYS 2 -9.277 -8.965 0.402 14 HB2 LYS 2 2HB LYS 2 -11.063 -6.775 -0.348 15 HB3 LYS 2 1HB LYS 2 -10.546 -7.742 -1.720 16 HG2 LYS 2 2HG LYS 2 -12.524 -8.729 -1.027 17 HG3 LYS 2 1HG LYS 2 -11.271 -9.761 -0.348 18 HD2 LYS 2 2HD LYS 2 -11.597 -8.924 1.821 19 HD3 LYS 2 1HD LYS 2 -12.504 -7.528 1.238 20 HE2 LYS 2 2HE LYS 2 -13.997 -9.174 2.252 21 HE3 LYS 2 1HE LYS 2 -14.328 -8.996 0.530 22 HZ1 LYS 2 3HZ LYS 2 -13.229 -11.273 1.991 23 HZ2 LYS 2 1HZ LYS 2 -12.648 -11.009 0.417 24 HZ3 LYS 2 2HZ LYS 2 -14.305 -11.241 0.678 25 H THR 3 HN THR 3 -7.559 -9.612 -0.692 26 HA THR 3 HA THR 3 -6.923 -8.344 -3.169 27 HB THR 3 HB THR 3 -5.576 -6.970 -1.540 28 HG1 THR 3 1HG THR 3 -4.703 -6.854 -3.510 29 HG21 THR 3 3HG2 THR 3 -3.509 -7.986 -0.654 30 HG22 THR 3 1HG2 THR 3 -4.071 -9.565 -1.203 31 HG23 THR 3 2HG2 THR 3 -4.962 -8.698 0.048 32 H THR 4 HN THR 4 -4.953 -9.555 -4.178 33 HA THR 4 HA THR 4 -5.343 -12.404 -3.610 34 HB THR 4 HB THR 4 -4.206 -12.672 -5.883 35 HG1 THR 4 1HG THR 4 -3.676 -10.210 -5.691 36 HG21 THR 4 3HG2 THR 4 -6.605 -12.992 -5.567 37 HG22 THR 4 1HG2 THR 4 -6.287 -12.200 -7.109 38 HG23 THR 4 2HG2 THR 4 -6.874 -11.258 -5.737 39 HA PRO 5 HA PRO 5 -1.371 -12.992 -1.823 40 HB2 PRO 5 2HB PRO 5 -0.624 -15.319 -3.163 41 HB3 PRO 5 1HB PRO 5 -1.593 -15.240 -1.694 42 HG2 PRO 5 2HG PRO 5 -2.466 -15.561 -4.522 43 HG3 PRO 5 1HG PRO 5 -3.130 -16.289 -3.048 44 HD2 PRO 5 2HD PRO 5 -4.355 -14.245 -4.271 45 HD3 PRO 5 1HD PRO 5 -4.338 -14.391 -2.502 46 H ASP 6 HN ASP 6 -1.642 -13.174 -5.311 47 HA ASP 6 HA ASP 6 1.014 -13.009 -6.087 48 HB2 ASP 6 2HB ASP 6 -0.855 -13.320 -7.651 49 HB3 ASP 6 1HB ASP 6 -1.356 -11.660 -7.367 50 H ILE 7 HN ILE 7 -1.212 -10.417 -5.192 51 HA ILE 7 HA ILE 7 0.594 -8.276 -5.642 52 HB ILE 7 HB ILE 7 -1.839 -8.402 -3.845 53 HG12 ILE 7 2HG1 ILE 7 -2.363 -8.894 -6.186 54 HG13 ILE 7 1HG1 ILE 7 -3.010 -7.326 -5.722 55 HG21 ILE 7 1HG2 ILE 7 -0.410 -6.548 -3.220 56 HG22 ILE 7 2HG2 ILE 7 -1.860 -5.949 -4.026 57 HG23 ILE 7 3HG2 ILE 7 -0.327 -6.013 -4.899 58 HD11 ILE 7 3HD1 ILE 7 -2.044 -7.273 -7.948 59 HD12 ILE 7 1HD1 ILE 7 -0.491 -7.793 -7.296 60 HD13 ILE 7 2HD1 ILE 7 -1.155 -6.222 -6.846 61 H LEU 8 HN LEU 8 -0.292 -10.166 -2.791 62 HA LEU 8 HA LEU 8 1.164 -8.789 -0.853 63 HB2 LEU 8 2HB LEU 8 0.619 -11.751 -1.060 64 HB3 LEU 8 1HB LEU 8 1.198 -10.938 0.380 65 HG LEU 8 HG LEU 8 -1.480 -10.496 -0.941 66 HD11 LEU 8 1HD1 LEU 8 -0.698 -11.865 1.629 67 HD12 LEU 8 2HD1 LEU 8 -1.343 -12.638 0.181 68 HD13 LEU 8 3HD1 LEU 8 -2.350 -11.533 1.113 69 HD21 LEU 8 3HD2 LEU 8 -1.976 -9.089 0.985 70 HD22 LEU 8 1HD2 LEU 8 -0.594 -8.455 0.091 71 HD23 LEU 8 2HD2 LEU 8 -0.340 -9.333 1.599 72 H ASP 9 HN ASP 9 2.140 -11.367 -3.053 73 HA ASP 9 HA ASP 9 4.745 -11.722 -2.042 74 HB2 ASP 9 2HB ASP 9 3.503 -13.267 -3.608 75 HB3 ASP 9 1HB ASP 9 3.867 -12.133 -4.905 76 H GLN 10 HN GLN 10 3.454 -9.698 -4.637 77 HA GLN 10 HA GLN 10 5.873 -8.576 -5.488 78 HB2 GLN 10 2HB GLN 10 3.045 -7.557 -5.601 79 HB3 GLN 10 1HB GLN 10 4.392 -6.706 -6.341 80 HG2 GLN 10 2HG GLN 10 4.873 -8.755 -7.665 81 HG3 GLN 10 1HG GLN 10 3.400 -9.464 -7.006 82 HE21 GLN 10 1HE2 GLN 10 1.413 -8.731 -7.701 83 HE22 GLN 10 2HE2 GLN 10 1.225 -7.695 -9.072 84 H ILE 11 HN ILE 11 3.757 -7.711 -2.808 85 HA ILE 11 HA ILE 11 4.912 -5.219 -2.178 86 HB ILE 11 HB ILE 11 3.711 -7.253 -0.282 87 HG12 ILE 11 2HG1 ILE 11 2.459 -4.832 -1.601 88 HG13 ILE 11 1HG1 ILE 11 2.181 -6.499 -2.087 89 HG21 ILE 11 1HG2 ILE 11 4.256 -4.312 0.098 90 HG22 ILE 11 2HG2 ILE 11 5.083 -5.641 0.908 91 HG23 ILE 11 3HG2 ILE 11 3.373 -5.341 1.227 92 HD11 ILE 11 3HD1 ILE 11 1.173 -6.969 0.082 93 HD12 ILE 11 1HD1 ILE 11 0.349 -5.642 -0.736 94 HD13 ILE 11 2HD1 ILE 11 1.469 -5.305 0.584 95 H ARG 12 HN ARG 12 5.677 -8.496 -1.095 96 HA ARG 12 HA ARG 12 7.839 -7.811 0.579 97 HB2 ARG 12 2HB ARG 12 7.068 -10.366 -0.821 98 HB3 ARG 12 1HB ARG 12 8.476 -10.254 0.228 99 HG2 ARG 12 2HG ARG 12 7.227 -10.054 2.124 100 HG3 ARG 12 1HG ARG 12 5.869 -9.308 1.287 101 HD2 ARG 12 2HD ARG 12 5.319 -11.556 2.069 102 HD3 ARG 12 1HD ARG 12 5.264 -11.445 0.312 103 HE ARG 12 HE ARG 12 7.468 -12.700 1.832 104 HH11 ARG 12 1HH1 ARG 12 5.340 -12.481 -0.912 105 HH12 ARG 12 2HH1 ARG 12 6.032 -13.832 -1.757 106 HH21 ARG 12 1HH2 ARG 12 8.386 -14.529 0.753 107 HH22 ARG 12 2HH2 ARG 12 7.759 -15.014 -0.795 108 H VAL 13 HN VAL 13 7.668 -8.677 -2.845 109 HA VAL 13 HA VAL 13 10.446 -8.679 -3.341 110 HB VAL 13 HB VAL 13 8.184 -8.026 -5.246 111 HG11 VAL 13 1HG1 VAL 13 9.749 -8.583 -7.029 112 HG12 VAL 13 2HG1 VAL 13 11.025 -8.849 -5.842 113 HG13 VAL 13 3HG1 VAL 13 10.358 -7.232 -6.068 114 HG21 VAL 13 3HG2 VAL 13 9.616 -10.620 -4.697 115 HG22 VAL 13 1HG2 VAL 13 8.414 -10.362 -5.961 116 HG23 VAL 13 2HG2 VAL 13 7.950 -10.237 -4.263 117 H HIS 14 HN HIS 14 7.997 -6.104 -3.657 118 HA HIS 14 HA HIS 14 9.816 -4.142 -4.557 119 HB2 HIS 14 2HB HIS 14 7.035 -4.064 -3.505 120 HB3 HIS 14 1HB HIS 14 7.946 -2.558 -3.547 121 HD1 HIS 14 1HD HIS 14 9.094 -2.099 -6.048 122 HD2 HIS 14 2HD HIS 14 5.767 -4.594 -5.842 123 HE1 HIS 14 1HE HIS 14 8.139 -2.149 -8.369 124 HE2 HIS 14 2HE HIS 14 6.126 -3.655 -8.232 125 H GLY 15 HN GLY 15 8.986 -5.235 -1.350 126 HA2 GLY 15 2HA GLY 15 10.123 -3.135 0.132 127 HA3 GLY 15 1HA GLY 15 10.032 -4.816 0.654 128 H ALA 16 HN ALA 16 11.589 -6.080 -1.206 129 HA ALA 16 HA ALA 16 14.250 -5.401 -0.406 130 HB1 ALA 16 1HB ALA 16 13.264 -7.355 -2.485 131 HB2 ALA 16 2HB ALA 16 13.601 -7.714 -0.792 132 HB3 ALA 16 3HB ALA 16 14.917 -7.258 -1.872 133 H ASP 17 HN ASP 17 12.251 -4.836 -3.169 134 HA ASP 17 HA ASP 17 14.077 -3.930 -5.070 135 HB2 ASP 17 2HB ASP 17 11.768 -4.318 -5.608 136 HB3 ASP 17 1HB ASP 17 11.246 -3.098 -4.471 137 H ALA 18 HN ALA 18 12.563 -2.287 -2.390 138 HA ALA 18 HA ALA 18 13.417 0.334 -2.936 139 HB1 ALA 18 1HB ALA 18 12.936 -0.935 -0.240 140 HB2 ALA 18 2HB ALA 18 11.715 -0.181 -1.265 141 HB3 ALA 18 3HB ALA 18 13.008 0.797 -0.571 142 H TYR 19 HN TYR 19 14.961 -2.272 -1.106 143 HA TYR 19 HA TYR 19 17.127 -0.882 -0.054 144 HB2 TYR 19 2HB TYR 19 16.635 -3.736 -0.765 145 HB3 TYR 19 1HB TYR 19 18.264 -3.247 -0.323 146 HD1 TYR 19 1HD TYR 19 14.771 -3.419 0.872 147 HD2 TYR 19 2HD TYR 19 18.853 -2.866 1.932 148 HE1 TYR 19 1HE TYR 19 14.176 -3.608 3.248 149 HE2 TYR 19 2HE TYR 19 18.265 -3.051 4.307 150 HH TYR 19 HH TYR 19 15.119 -4.067 5.349 151 HA PRO 20 HA PRO 20 19.044 -0.809 0.424 152 HB2 PRO 20 2HB PRO 20 21.248 0.680 0.268 153 HB3 PRO 20 1HB PRO 20 21.293 -1.051 -0.085 154 HG2 PRO 20 2HG PRO 20 21.313 1.266 -1.956 155 HG3 PRO 20 1HG PRO 20 22.164 -0.283 -2.077 156 HD2 PRO 20 2HD PRO 20 19.764 0.387 -3.372 157 HD3 PRO 20 1HD PRO 20 20.427 -1.247 -3.183 158 H GLU 21 HN GLU 21 17.962 1.276 -1.921 159 HA GLU 21 HA GLU 21 18.417 3.779 -0.581 160 HB2 GLU 21 2HB GLU 21 16.741 3.060 -2.990 161 HB3 GLU 21 1HB GLU 21 17.020 4.703 -2.423 162 HG2 GLU 21 2HG GLU 21 19.407 4.452 -2.805 163 HG3 GLU 21 1HG GLU 21 19.162 2.786 -3.320 164 H GLU 22 HN GLU 22 16.423 5.280 -0.378 165 HA GLU 22 HA GLU 22 14.593 3.969 1.470 166 HB2 GLU 22 2HB GLU 22 15.721 6.063 2.129 167 HB3 GLU 22 1HB GLU 22 14.947 6.896 0.790 168 HG2 GLU 22 2HG GLU 22 12.759 6.480 1.789 169 HG3 GLU 22 1HG GLU 22 13.530 5.632 3.128 170 H GLY 23 HN GLY 23 12.503 3.515 1.009 171 HA2 GLY 23 2HA GLY 23 11.043 5.002 -0.973 172 HA3 GLY 23 1HA GLY 23 11.482 3.391 -1.514 173 H CYS 24 HN CYS 24 9.313 5.266 0.316 174 HA CYS 24 HA CYS 24 7.962 2.867 1.339 175 HB2 CYS 24 2HB CYS 24 6.527 4.545 2.555 176 HB3 CYS 24 1HB CYS 24 8.223 4.566 3.021 177 HG CYS 24 HG CYS 24 6.725 6.814 0.911 178 H GLY 25 HN GLY 25 5.347 3.361 1.248 179 HA2 GLY 25 2HA GLY 25 4.485 4.834 -1.037 180 HA3 GLY 25 1HA GLY 25 4.588 3.124 -1.417 181 H PHE 26 HN PHE 26 2.246 4.098 -1.768 182 HA PHE 26 HA PHE 26 0.645 3.390 0.609 183 HB2 PHE 26 2HB PHE 26 0.162 5.507 -1.485 184 HB3 PHE 26 1HB PHE 26 -1.148 4.873 -0.499 185 HD1 PHE 26 1HD PHE 26 2.229 6.423 -0.168 186 HD2 PHE 26 2HD PHE 26 -1.654 5.897 1.485 187 HE1 PHE 26 1HE PHE 26 2.758 8.068 1.585 188 HE2 PHE 26 2HE PHE 26 -1.131 7.536 3.243 189 HZ PHE 26 HZ PHE 26 1.078 8.625 3.294 190 H LEU 27 HN LEU 27 -1.453 2.430 0.139 191 HA LEU 27 HA LEU 27 -1.240 0.574 -2.122 192 HB2 LEU 27 2HB LEU 27 -3.143 0.565 0.227 193 HB3 LEU 27 1HB LEU 27 -2.974 -0.708 -0.965 194 HG LEU 27 HG LEU 27 -0.835 0.123 0.997 195 HD11 LEU 27 1HD1 LEU 27 -2.710 -0.910 2.129 196 HD12 LEU 27 2HD1 LEU 27 -1.332 -2.010 2.100 197 HD13 LEU 27 3HD1 LEU 27 -2.683 -2.258 0.993 198 HD21 LEU 27 3HD2 LEU 27 0.284 -1.933 0.271 199 HD22 LEU 27 1HD2 LEU 27 0.099 -0.781 -1.050 200 HD23 LEU 27 2HD2 LEU 27 -0.969 -2.180 -0.945 201 H LEU 28 HN LEU 28 -2.563 0.668 -3.838 202 HA LEU 28 HA LEU 28 -4.787 2.594 -3.735 203 HB2 LEU 28 2HB LEU 28 -3.269 1.530 -6.120 204 HB3 LEU 28 1HB LEU 28 -4.622 2.640 -6.202 205 HG LEU 28 HG LEU 28 -1.936 3.211 -4.947 206 HD11 LEU 28 1HD1 LEU 28 -1.866 3.149 -7.381 207 HD12 LEU 28 2HD1 LEU 28 -1.676 4.796 -6.782 208 HD13 LEU 28 3HD1 LEU 28 -3.220 4.279 -7.456 209 HD21 LEU 28 3HD2 LEU 28 -2.767 5.500 -4.695 210 HD22 LEU 28 1HD2 LEU 28 -3.720 4.355 -3.751 211 HD23 LEU 28 2HD2 LEU 28 -4.352 4.987 -5.272 212 H GLY 29 HN GLY 29 -6.824 1.947 -4.230 213 HA2 GLY 29 2HA GLY 29 -7.450 -0.481 -5.561 214 HA3 GLY 29 1HA GLY 29 -7.569 -0.695 -3.818 215 H THR 30 HN THR 30 -9.873 -1.045 -4.139 216 HA THR 30 HA THR 30 -11.259 1.530 -4.253 217 HB THR 30 HB THR 30 -13.171 -0.054 -5.303 218 HG1 THR 30 1HG THR 30 -11.109 -0.830 -6.975 219 HG21 THR 30 3HG2 THR 30 -12.518 2.152 -6.116 220 HG22 THR 30 1HG2 THR 30 -12.667 1.011 -7.452 221 HG23 THR 30 2HG2 THR 30 -11.072 1.466 -6.855 222 H VAL 31 HN VAL 31 -12.974 1.764 -2.942 223 HA VAL 31 HA VAL 31 -13.487 -0.340 -0.990 224 HB VAL 31 HB VAL 31 -14.592 2.480 -1.133 225 HG11 VAL 31 1HG1 VAL 31 -14.706 0.443 1.090 226 HG12 VAL 31 2HG1 VAL 31 -16.062 0.980 0.099 227 HG13 VAL 31 3HG1 VAL 31 -15.269 2.110 1.196 228 HG21 VAL 31 3HG2 VAL 31 -12.360 1.349 0.555 229 HG22 VAL 31 1HG2 VAL 31 -13.020 2.979 0.690 230 HG23 VAL 31 2HG2 VAL 31 -12.182 2.484 -0.782 231 H THR 32 HN THR 32 -15.356 -1.518 -0.961 232 HA THR 32 HA THR 32 -16.871 -1.659 -3.371 233 HB THR 32 HB THR 32 -18.250 -3.306 -2.110 234 HG1 THR 32 1HG THR 32 -17.378 -3.908 -0.010 235 HG21 THR 32 3HG2 THR 32 -15.262 -3.694 -1.975 236 HG22 THR 32 1HG2 THR 32 -16.290 -4.031 -3.368 237 HG23 THR 32 2HG2 THR 32 -16.464 -4.982 -1.892 238 H ASP 33 HN ASP 33 -17.069 0.589 -1.101 239 HA ASP 33 HA ASP 33 -18.554 2.225 -0.577 240 HB2 ASP 33 2HB ASP 33 -19.456 2.091 -2.840 241 HB3 ASP 33 1HB ASP 33 -20.462 0.724 -2.384 242 H ASP 34 HN ASP 34 -19.424 -1.102 -0.311 243 HA ASP 34 HA ASP 34 -21.447 -0.713 1.667 244 HB2 ASP 34 2HB ASP 34 -21.310 -2.683 0.080 245 HB3 ASP 34 1HB ASP 34 -19.992 -3.284 1.083 246 H GLY 35 HN GLY 35 -18.017 -1.433 1.679 247 HA2 GLY 35 2HA GLY 35 -17.246 -0.321 3.964 248 HA3 GLY 35 1HA GLY 35 -18.029 -1.771 4.572 249 H ASP 36 HN ASP 36 -17.000 -2.912 1.821 250 HA ASP 36 HA ASP 36 -14.562 -3.994 2.985 251 HB2 ASP 36 2HB ASP 36 -15.774 -4.592 0.280 252 HB3 ASP 36 1HB ASP 36 -14.516 -5.513 1.088 253 H ASN 37 HN ASN 37 -12.507 -3.779 2.108 254 HA ASN 37 HA ASN 37 -12.229 -1.883 -0.116 255 HB2 ASN 37 2HB ASN 37 -10.119 -1.113 0.810 256 HB3 ASN 37 1HB ASN 37 -11.395 -0.879 1.990 257 HD21 ASN 37 1HD2 ASN 37 -11.211 -1.810 3.946 258 HD22 ASN 37 2HD2 ASN 37 -9.896 -2.822 4.440 259 H ARG 38 HN ARG 38 -11.103 -2.585 -1.836 260 HA ARG 38 HA ARG 38 -9.489 -5.023 -1.460 261 HB2 ARG 38 2HB ARG 38 -9.955 -5.754 -3.642 262 HB3 ARG 38 1HB ARG 38 -11.507 -5.210 -3.019 263 HG2 ARG 38 2HG ARG 38 -11.296 -3.148 -4.229 264 HG3 ARG 38 1HG ARG 38 -9.694 -3.595 -4.786 265 HD2 ARG 38 2HD ARG 38 -12.101 -5.294 -5.381 266 HD3 ARG 38 1HD ARG 38 -11.633 -3.943 -6.416 267 HE ARG 38 HE ARG 38 -9.351 -5.251 -6.331 268 HH11 ARG 38 1HH1 ARG 38 -12.586 -6.572 -6.717 269 HH12 ARG 38 2HH1 ARG 38 -12.049 -7.896 -7.710 270 HH21 ARG 38 1HH2 ARG 38 -8.665 -6.999 -7.614 271 HH22 ARG 38 2HH2 ARG 38 -9.819 -8.167 -8.185 272 H VAL 39 HN VAL 39 -7.515 -5.119 -2.380 273 HA VAL 39 HA VAL 39 -6.286 -2.537 -3.038 274 HB VAL 39 HB VAL 39 -4.939 -5.165 -2.367 275 HG11 VAL 39 1HG1 VAL 39 -3.804 -2.379 -2.605 276 HG12 VAL 39 2HG1 VAL 39 -3.550 -3.701 -3.744 277 HG13 VAL 39 3HG1 VAL 39 -2.913 -3.816 -2.103 278 HG21 VAL 39 3HG2 VAL 39 -6.168 -4.319 -0.448 279 HG22 VAL 39 1HG2 VAL 39 -5.419 -2.734 -0.645 280 HG23 VAL 39 2HG2 VAL 39 -4.433 -4.123 -0.195 281 H ALA 40 HN ALA 40 -5.815 -2.096 -5.093 282 HA ALA 40 HA ALA 40 -6.026 -4.314 -7.021 283 HB1 ALA 40 1HB ALA 40 -7.843 -2.678 -7.163 284 HB2 ALA 40 2HB ALA 40 -6.862 -2.696 -8.628 285 HB3 ALA 40 3HB ALA 40 -6.663 -1.399 -7.451 286 H ALA 41 HN ALA 41 -4.078 -1.566 -6.027 287 HA ALA 41 HA ALA 41 -2.004 -2.441 -7.868 288 HB1 ALA 41 1HB ALA 41 -3.297 -0.843 -9.192 289 HB2 ALA 41 2HB ALA 41 -1.679 -0.234 -8.846 290 HB3 ALA 41 3HB ALA 41 -3.062 0.380 -7.943 291 H LEU 42 HN LEU 42 0.030 -1.949 -7.249 292 HA LEU 42 HA LEU 42 0.376 -0.510 -4.701 293 HB2 LEU 42 2HB LEU 42 2.377 -2.213 -6.200 294 HB3 LEU 42 1HB LEU 42 2.544 -1.587 -4.572 295 HG LEU 42 HG LEU 42 0.520 -3.656 -5.429 296 HD11 LEU 42 1HD1 LEU 42 2.797 -4.525 -5.517 297 HD12 LEU 42 2HD1 LEU 42 1.903 -5.226 -4.168 298 HD13 LEU 42 3HD1 LEU 42 3.086 -3.951 -3.875 299 HD21 LEU 42 3HD2 LEU 42 0.152 -3.931 -3.023 300 HD22 LEU 42 1HD2 LEU 42 -0.250 -2.300 -3.558 301 HD23 LEU 42 2HD2 LEU 42 1.264 -2.600 -2.704 302 H HIS 43 HN HIS 43 1.839 1.283 -4.620 303 HA HIS 43 HA HIS 43 2.935 2.082 -7.217 304 HB2 HIS 43 2HB HIS 43 1.826 4.050 -7.335 305 HB3 HIS 43 1HB HIS 43 0.675 3.252 -6.279 306 HD1 HIS 43 1HD HIS 43 0.709 3.971 -3.746 307 HD2 HIS 43 2HD HIS 43 3.194 6.175 -6.242 308 HE1 HIS 43 1HE HIS 43 1.359 6.013 -2.430 309 HE2 HIS 43 2HE HIS 43 3.096 7.158 -3.853 310 H ARG 44 HN ARG 44 4.929 2.854 -7.176 311 HA ARG 44 HA ARG 44 6.285 3.143 -4.604 312 HB2 ARG 44 2HB ARG 44 7.447 1.796 -6.228 313 HB3 ARG 44 1HB ARG 44 7.268 3.032 -7.462 314 HG2 ARG 44 2HG ARG 44 9.496 3.182 -6.781 315 HG3 ARG 44 1HG ARG 44 8.685 4.518 -5.960 316 HD2 ARG 44 2HD ARG 44 10.072 3.534 -4.334 317 HD3 ARG 44 1HD ARG 44 8.449 2.947 -3.974 318 HE ARG 44 HE ARG 44 9.962 1.204 -5.698 319 HH11 ARG 44 1HH1 ARG 44 9.175 2.024 -2.389 320 HH12 ARG 44 2HH1 ARG 44 9.717 0.510 -1.748 321 HH21 ARG 44 1HH2 ARG 44 10.694 -0.780 -4.875 322 HH22 ARG 44 2HH2 ARG 44 10.574 -1.102 -3.165 323 H ALA 45 HN ALA 45 6.826 5.099 -3.771 324 HA ALA 45 HA ALA 45 6.123 7.569 -4.785 325 HB1 ALA 45 1HB ALA 45 7.799 8.516 -3.267 326 HB2 ALA 45 2HB ALA 45 8.514 6.917 -3.062 327 HB3 ALA 45 3HB ALA 45 6.877 7.230 -2.487 328 H THR 46 HN THR 46 6.593 8.183 -6.829 329 HA THR 46 HA THR 46 9.369 8.633 -7.513 330 HB THR 46 HB THR 46 7.661 7.035 -9.418 331 HG1 THR 46 1HG THR 46 9.200 6.228 -7.292 332 HG21 THR 46 3HG2 THR 46 9.367 8.409 -10.486 333 HG22 THR 46 1HG2 THR 46 9.782 6.699 -10.609 334 HG23 THR 46 2HG2 THR 46 10.596 7.721 -9.425 335 H ASN 47 HN ASN 47 9.571 10.476 -8.553 336 HA ASN 47 HA ASN 47 7.683 11.386 -10.505 337 HB2 ASN 47 2HB ASN 47 7.303 13.599 -9.406 338 HB3 ASN 47 1HB ASN 47 6.511 12.260 -8.596 339 HD21 ASN 47 1HD2 ASN 47 6.350 13.358 -6.670 340 HD22 ASN 47 2HD2 ASN 47 7.710 13.695 -5.657 341 H ARG 48 HN ARG 48 8.513 13.152 -11.765 342 HA ARG 48 HA ARG 48 11.318 13.860 -11.225 343 HB2 ARG 48 2HB ARG 48 10.250 12.782 -13.840 344 HB3 ARG 48 1HB ARG 48 11.821 13.545 -13.659 345 HG2 ARG 48 2HG ARG 48 10.957 11.045 -12.219 346 HG3 ARG 48 1HG ARG 48 11.914 11.081 -13.700 347 HD2 ARG 48 2HD ARG 48 12.694 12.217 -11.017 348 HD3 ARG 48 1HD ARG 48 13.367 10.782 -11.790 349 HE ARG 48 HE ARG 48 13.820 13.577 -12.588 350 HH11 ARG 48 1HH1 ARG 48 14.576 10.163 -12.913 351 HH12 ARG 48 2HH1 ARG 48 16.020 10.439 -13.847 352 HH21 ARG 48 1HH2 ARG 48 15.720 13.950 -13.808 353 HH22 ARG 48 2HH2 ARG 48 16.690 12.600 -14.328 354 H ARG 49 HN ARG 49 8.235 14.856 -11.948 355 HA ARG 49 HA ARG 49 9.138 17.422 -12.991 356 HB2 ARG 49 2HB ARG 49 8.746 15.862 -14.927 357 HB3 ARG 49 1HB ARG 49 7.065 15.762 -14.428 358 HG2 ARG 49 2HG ARG 49 6.860 18.201 -14.768 359 HG3 ARG 49 1HG ARG 49 8.518 18.220 -15.378 360 HD2 ARG 49 2HD ARG 49 7.649 16.334 -16.958 361 HD3 ARG 49 1HD ARG 49 6.065 17.002 -16.573 362 HE ARG 49 HE ARG 49 7.161 19.198 -17.363 363 HH11 ARG 49 1HH1 ARG 49 7.705 15.999 -18.681 364 HH12 ARG 49 2HH1 ARG 49 8.191 16.586 -20.242 365 HH21 ARG 49 1HH2 ARG 49 7.809 19.981 -19.412 366 HH22 ARG 49 2HH2 ARG 49 8.248 18.851 -20.667 367 H SER 50 HN SER 50 8.112 18.918 -11.806 368 HA SER 50 HA SER 50 5.640 18.478 -10.463 369 HB2 SER 50 2HB SER 50 6.960 21.108 -11.200 370 HB3 SER 50 1HB SER 50 5.731 20.865 -9.961 371 HG SER 50 HG SER 50 7.196 20.123 -8.627 372 H GLU 51 HN GLU 51 3.582 18.891 -11.151 373 HA GLU 51 HA GLU 51 3.257 18.807 -13.995 374 HB2 GLU 51 2HB GLU 51 0.845 19.226 -12.355 375 HB3 GLU 51 1HB GLU 51 1.173 18.020 -13.589 376 HG2 GLU 51 2HG GLU 51 0.952 16.742 -11.696 377 HG3 GLU 51 1HG GLU 51 2.700 16.955 -11.785 378 H GLN 52 HN GLN 52 2.313 20.266 -15.362 379 HA GLN 52 HA GLN 52 2.031 23.020 -14.503 380 HB2 GLN 52 2HB GLN 52 2.920 22.420 -16.757 381 HB3 GLN 52 1HB GLN 52 1.366 21.705 -17.157 382 HG2 GLN 52 2HG GLN 52 1.549 23.886 -18.152 383 HG3 GLN 52 1HG GLN 52 0.306 23.902 -16.902 384 HE21 GLN 52 1HE2 GLN 52 3.469 24.998 -17.819 385 HE22 GLN 52 2HE2 GLN 52 3.621 26.220 -16.594 386 H ARG 53 HN ARG 53 -0.062 24.176 -14.779 387 HA ARG 53 HA ARG 53 -2.273 24.446 -14.308 388 HB2 ARG 53 2HB ARG 53 -2.374 21.591 -15.260 389 HB3 ARG 53 1HB ARG 53 -3.793 22.389 -14.602 390 HG2 ARG 53 2HG ARG 53 -3.834 23.964 -16.370 391 HG3 ARG 53 1HG ARG 53 -2.239 23.458 -16.942 392 HD2 ARG 53 2HD ARG 53 -3.030 21.508 -17.853 393 HD3 ARG 53 1HD ARG 53 -4.391 21.413 -16.739 394 HE ARG 53 HE ARG 53 -5.127 23.503 -18.173 395 HH11 ARG 53 1HH1 ARG 53 -3.619 20.542 -19.284 396 HH12 ARG 53 2HH1 ARG 53 -4.530 20.477 -20.764 397 HH21 ARG 53 1HH2 ARG 53 -6.298 23.441 -20.138 398 HH22 ARG 53 2HH2 ARG 53 -6.022 22.150 -21.267 399 H THR 54 HN THR 54 -4.074 23.279 -12.865 400 HA THR 54 HA THR 54 -4.683 22.844 -10.716 401 HB THR 54 HB THR 54 -2.549 20.735 -10.860 402 HG1 THR 54 1HG THR 54 -3.511 20.044 -12.598 403 HG21 THR 54 3HG2 THR 54 -4.162 19.383 -9.609 404 HG22 THR 54 1HG2 THR 54 -5.322 20.712 -9.656 405 HG23 THR 54 2HG2 THR 54 -3.819 20.884 -8.750 406 H ARG 55 HN ARG 55 -2.962 24.993 -10.706 407 HA ARG 55 HA ARG 55 -0.680 24.421 -9.036 408 HB2 ARG 55 2HB ARG 55 -1.720 27.001 -10.187 409 HB3 ARG 55 1HB ARG 55 -0.289 26.901 -9.167 410 HG2 ARG 55 2HG ARG 55 0.669 25.283 -10.813 411 HG3 ARG 55 1HG ARG 55 -0.708 25.629 -11.859 412 HD2 ARG 55 2HD ARG 55 -0.070 27.947 -12.009 413 HD3 ARG 55 1HD ARG 55 1.227 27.703 -10.837 414 HE ARG 55 HE ARG 55 1.198 26.389 -13.482 415 HH11 ARG 55 1HH1 ARG 55 2.841 28.199 -10.969 416 HH12 ARG 55 2HH1 ARG 55 4.393 28.097 -11.741 417 HH21 ARG 55 1HH2 ARG 55 3.240 26.257 -14.493 418 HH22 ARG 55 2HH2 ARG 55 4.619 26.998 -13.742 419 H ARG 56 HN ARG 56 -1.901 23.570 -7.274 420 HA ARG 56 HA ARG 56 -2.559 25.731 -5.386 421 HB2 ARG 56 2HB ARG 56 -3.873 23.105 -5.836 422 HB3 ARG 56 1HB ARG 56 -3.674 23.609 -4.165 423 HG2 ARG 56 2HG ARG 56 -5.807 24.333 -4.787 424 HG3 ARG 56 1HG ARG 56 -4.797 25.778 -4.826 425 HD2 ARG 56 2HD ARG 56 -4.586 25.543 -7.263 426 HD3 ARG 56 1HD ARG 56 -5.623 24.116 -7.206 427 HE ARG 56 HE ARG 56 -6.441 26.882 -6.975 428 HH11 ARG 56 1HH1 ARG 56 -7.324 23.525 -6.493 429 HH12 ARG 56 2HH1 ARG 56 -9.028 23.865 -6.350 430 HH21 ARG 56 1HH2 ARG 56 -8.659 27.329 -6.824 431 HH22 ARG 56 2HH2 ARG 56 -9.789 26.029 -6.553 432 H TYR 57 HN TYR 57 -0.493 25.972 -4.607 433 HA TYR 57 HA TYR 57 1.151 23.770 -3.878 434 HB2 TYR 57 2HB TYR 57 2.605 25.482 -2.827 435 HB3 TYR 57 1HB TYR 57 2.179 25.877 -4.487 436 HD1 TYR 57 1HD TYR 57 0.315 27.594 -4.863 437 HD2 TYR 57 2HD TYR 57 2.197 27.005 -1.092 438 HE1 TYR 57 1HE TYR 57 -0.455 29.812 -4.135 439 HE2 TYR 57 2HE TYR 57 1.430 29.222 -0.357 440 HH TYR 57 HH TYR 57 -0.935 30.978 -1.979 441 H GLU 58 HN GLU 58 1.645 22.966 -1.873 442 HA GLU 58 HA GLU 58 1.102 22.050 0.114 443 HB2 GLU 58 2HB GLU 58 0.478 24.940 0.613 444 HB3 GLU 58 1HB GLU 58 0.203 23.736 1.863 445 HG2 GLU 58 2HG GLU 58 2.340 24.738 2.222 446 HG3 GLU 58 1HG GLU 58 2.582 23.075 1.692 447 H LEU 59 HN LEU 59 -0.480 20.707 -0.779 448 HA LEU 59 HA LEU 59 -3.134 21.280 0.311 449 HB2 LEU 59 2HB LEU 59 -4.301 20.527 -1.606 450 HB3 LEU 59 1HB LEU 59 -3.137 21.707 -2.165 451 HG LEU 59 HG LEU 59 -2.738 18.719 -2.384 452 HD11 LEU 59 1HD1 LEU 59 -3.303 18.995 -4.745 453 HD12 LEU 59 2HD1 LEU 59 -3.694 20.690 -4.458 454 HD13 LEU 59 3HD1 LEU 59 -4.661 19.421 -3.704 455 HD21 LEU 59 3HD2 LEU 59 -0.996 19.318 -3.992 456 HD22 LEU 59 1HD2 LEU 59 -0.658 20.001 -2.402 457 HD23 LEU 59 2HD2 LEU 59 -1.294 21.030 -3.685 458 H THR 60 HN THR 60 -0.888 18.911 -0.986 459 HA THR 60 HA THR 60 -1.580 17.066 1.145 460 HB THR 60 HB THR 60 -1.464 15.182 -0.653 461 HG1 THR 60 1HG THR 60 -2.695 16.288 -2.588 462 HG21 THR 60 3HG2 THR 60 -3.907 15.273 -0.989 463 HG22 THR 60 1HG2 THR 60 -3.918 16.935 -0.396 464 HG23 THR 60 2HG2 THR 60 -3.457 15.615 0.681 465 H ALA 61 HN ALA 61 0.131 15.569 1.575 466 HA ALA 61 HA ALA 61 2.731 16.553 1.086 467 HB1 ALA 61 1HB ALA 61 1.894 13.838 2.094 468 HB2 ALA 61 2HB ALA 61 2.174 15.269 3.085 469 HB3 ALA 61 3HB ALA 61 3.512 14.530 2.206 470 H ASP 62 HN ASP 62 4.502 15.356 0.036 471 HA ASP 62 HA ASP 62 3.811 14.741 -2.652 472 HB2 ASP 62 2HB ASP 62 6.014 15.748 -1.820 473 HB3 ASP 62 1HB ASP 62 6.471 14.111 -1.362 474 H ASP 63 HN ASP 63 4.592 12.709 -3.728 475 HA ASP 63 HA ASP 63 4.252 10.508 -4.131 476 HB2 ASP 63 2HB ASP 63 5.724 9.906 -2.310 477 HB3 ASP 63 1HB ASP 63 4.443 10.179 -1.130 478 H TYR 64 HN TYR 64 2.374 11.506 -1.280 479 HA TYR 64 HA TYR 64 0.130 9.917 -1.770 480 HB2 TYR 64 2HB TYR 64 0.562 11.200 0.339 481 HB3 TYR 64 1HB TYR 64 0.114 12.672 -0.519 482 HD1 TYR 64 1HD TYR 64 -1.142 9.458 0.780 483 HD2 TYR 64 2HD TYR 64 -2.189 13.202 -0.944 484 HE1 TYR 64 1HE TYR 64 -3.503 9.043 1.327 485 HE2 TYR 64 2HE TYR 64 -4.553 12.799 -0.399 486 HH TYR 64 HH TYR 64 -6.039 10.837 0.009 487 H ARG 65 HN ARG 65 0.978 13.142 -2.949 488 HA ARG 65 HA ARG 65 -1.348 13.784 -4.321 489 HB2 ARG 65 2HB ARG 65 1.485 14.317 -5.241 490 HB3 ARG 65 1HB ARG 65 0.050 15.199 -5.723 491 HG2 ARG 65 2HG ARG 65 -0.223 15.972 -3.398 492 HG3 ARG 65 1HG ARG 65 1.278 15.143 -2.981 493 HD2 ARG 65 2HD ARG 65 1.791 17.446 -3.360 494 HD3 ARG 65 1HD ARG 65 2.432 16.515 -4.715 495 HE ARG 65 HE ARG 65 -0.057 18.093 -4.817 496 HH11 ARG 65 1HH1 ARG 65 2.807 16.782 -6.364 497 HH12 ARG 65 2HH1 ARG 65 2.488 17.575 -7.886 498 HH21 ARG 65 1HH2 ARG 65 -0.462 19.123 -6.812 499 HH22 ARG 65 2HH2 ARG 65 0.621 18.870 -8.148 500 H ALA 66 HN ALA 66 1.492 11.974 -5.451 501 HA ALA 66 HA ALA 66 0.493 11.461 -8.046 502 HB1 ALA 66 1HB ALA 66 2.586 9.948 -6.486 503 HB2 ALA 66 2HB ALA 66 2.883 11.354 -7.509 504 HB3 ALA 66 3HB ALA 66 2.313 9.845 -8.225 505 H ALA 67 HN ALA 67 0.250 9.784 -4.982 506 HA ALA 67 HA ALA 67 -0.835 7.361 -5.939 507 HB1 ALA 67 1HB ALA 67 0.050 7.585 -3.674 508 HB2 ALA 67 2HB ALA 67 -1.624 7.026 -3.646 509 HB3 ALA 67 3HB ALA 67 -1.248 8.707 -3.271 510 H ASP 68 HN ASP 68 -2.299 10.387 -4.865 511 HA ASP 68 HA ASP 68 -4.995 9.531 -5.134 512 HB2 ASP 68 2HB ASP 68 -4.198 11.516 -3.781 513 HB3 ASP 68 1HB ASP 68 -3.964 12.369 -5.301 514 H ALA 69 HN ALA 69 -2.774 11.309 -7.225 515 HA ALA 69 HA ALA 69 -4.548 11.848 -9.324 516 HB1 ALA 69 1HB ALA 69 -2.580 12.225 -10.683 517 HB2 ALA 69 2HB ALA 69 -1.574 11.385 -9.503 518 HB3 ALA 69 3HB ALA 69 -2.346 12.913 -9.075 519 H ALA 70 HN ALA 70 -2.200 9.178 -8.986 520 HA ALA 70 HA ALA 70 -2.990 7.842 -11.350 521 HB1 ALA 70 1HB ALA 70 -1.751 5.927 -10.483 522 HB2 ALA 70 2HB ALA 70 -1.694 6.668 -8.883 523 HB3 ALA 70 3HB ALA 70 -0.841 7.418 -10.234 524 H ALA 71 HN ALA 71 -4.168 7.740 -8.037 525 HA ALA 71 HA ALA 71 -5.795 5.460 -8.271 526 HB1 ALA 71 1HB ALA 71 -6.278 7.902 -6.572 527 HB2 ALA 71 2HB ALA 71 -5.282 6.519 -6.120 528 HB3 ALA 71 3HB ALA 71 -7.018 6.315 -6.355 529 H GLN 72 HN GLN 72 -6.601 8.916 -8.729 530 HA GLN 72 HA GLN 72 -9.267 8.356 -9.516 531 HB2 GLN 72 2HB GLN 72 -9.369 10.706 -10.227 532 HB3 GLN 72 1HB GLN 72 -8.695 10.526 -8.615 533 HG2 GLN 72 2HG GLN 72 -6.435 10.800 -9.565 534 HG3 GLN 72 1HG GLN 72 -7.165 11.063 -11.150 535 HE21 GLN 72 1HE2 GLN 72 -6.660 12.389 -7.964 536 HE22 GLN 72 2HE2 GLN 72 -7.148 14.001 -8.351 537 H GLU 73 HN GLU 73 -6.262 8.646 -11.319 538 HA GLU 73 HA GLU 73 -7.323 8.680 -13.910 539 HB2 GLU 73 2HB GLU 73 -4.756 7.576 -12.787 540 HB3 GLU 73 1HB GLU 73 -5.114 7.557 -14.498 541 HG2 GLU 73 2HG GLU 73 -5.413 10.050 -14.348 542 HG3 GLU 73 1HG GLU 73 -4.746 9.937 -12.721 543 H GLN 74 HN GLN 74 -6.715 6.069 -11.678 544 HA GLN 74 HA GLN 74 -7.497 4.048 -13.617 545 HB2 GLN 74 2HB GLN 74 -6.377 3.989 -10.840 546 HB3 GLN 74 1HB GLN 74 -7.040 2.539 -11.569 547 HG2 GLN 74 2HG GLN 74 -5.406 2.535 -13.277 548 HG3 GLN 74 1HG GLN 74 -4.879 4.166 -12.868 549 HE21 GLN 74 1HE2 GLN 74 -4.819 3.830 -10.055 550 HE22 GLN 74 2HE2 GLN 74 -3.502 2.782 -9.681 551 H GLY 75 HN GLY 75 -9.045 6.011 -11.374 552 HA2 GLY 75 2HA GLY 75 -11.255 6.013 -10.669 553 HA3 GLY 75 1HA GLY 75 -11.483 4.480 -11.502 554 H LEU 76 HN LEU 76 -8.985 5.096 -9.160 555 HA LEU 76 HA LEU 76 -10.247 3.206 -7.277 556 HB2 LEU 76 2HB LEU 76 -7.303 3.698 -7.755 557 HB3 LEU 76 1HB LEU 76 -7.987 2.539 -6.635 558 HG LEU 76 HG LEU 76 -8.214 2.412 -9.645 559 HD11 LEU 76 1HD1 LEU 76 -6.718 0.499 -9.458 560 HD12 LEU 76 2HD1 LEU 76 -6.583 0.766 -7.719 561 HD13 LEU 76 3HD1 LEU 76 -5.955 1.968 -8.849 562 HD21 LEU 76 3HD2 LEU 76 -9.141 0.180 -9.263 563 HD22 LEU 76 1HD2 LEU 76 -10.158 1.435 -8.556 564 HD23 LEU 76 2HD2 LEU 76 -9.108 0.465 -7.523 565 H ASP 77 HN ASP 77 -9.056 3.501 -5.033 566 HA ASP 77 HA ASP 77 -8.422 6.302 -4.496 567 HB2 ASP 77 2HB ASP 77 -9.832 6.377 -2.529 568 HB3 ASP 77 1HB ASP 77 -10.821 5.979 -3.924 569 H VAL 78 HN VAL 78 -7.736 6.356 -1.985 570 HA VAL 78 HA VAL 78 -5.554 4.429 -1.840 571 HB VAL 78 HB VAL 78 -6.072 6.782 -0.004 572 HG11 VAL 78 1HG1 VAL 78 -3.687 6.577 0.514 573 HG12 VAL 78 2HG1 VAL 78 -3.578 5.170 -0.543 574 HG13 VAL 78 3HG1 VAL 78 -4.568 5.101 0.916 575 HG21 VAL 78 3HG2 VAL 78 -4.350 6.654 -2.481 576 HG22 VAL 78 1HG2 VAL 78 -4.429 8.006 -1.351 577 HG23 VAL 78 2HG2 VAL 78 -5.849 7.568 -2.303 578 H VAL 79 HN VAL 79 -6.222 2.533 -1.012 579 HA VAL 79 HA VAL 79 -8.208 2.470 1.099 580 HB VAL 79 HB VAL 79 -8.095 0.009 0.857 581 HG11 VAL 79 1HG1 VAL 79 -9.690 1.291 -0.440 582 HG12 VAL 79 2HG1 VAL 79 -9.088 -0.072 -1.384 583 HG13 VAL 79 3HG1 VAL 79 -8.484 1.554 -1.700 584 HG21 VAL 79 3HG2 VAL 79 -5.762 -0.208 0.170 585 HG22 VAL 79 1HG2 VAL 79 -6.124 0.615 -1.348 586 HG23 VAL 79 2HG2 VAL 79 -6.836 -0.963 -1.009 587 H GLY 80 HN GLY 80 -4.807 2.448 0.897 588 HA2 GLY 80 2HA GLY 80 -4.493 2.310 3.689 589 HA3 GLY 80 1HA GLY 80 -4.135 0.736 3.005 590 H VAL 81 HN VAL 81 -2.077 1.296 4.084 591 HA VAL 81 HA VAL 81 -0.254 2.594 2.164 592 HB VAL 81 HB VAL 81 0.236 2.852 5.112 593 HG11 VAL 81 1HG1 VAL 81 1.522 4.820 4.428 594 HG12 VAL 81 2HG1 VAL 81 1.093 4.499 2.748 595 HG13 VAL 81 3HG1 VAL 81 2.075 3.340 3.646 596 HG21 VAL 81 3HG2 VAL 81 -1.400 4.806 3.497 597 HG22 VAL 81 1HG2 VAL 81 -0.789 5.085 5.127 598 HG23 VAL 81 2HG2 VAL 81 -1.974 3.812 4.836 599 H TYR 82 HN TYR 82 1.953 1.728 2.309 600 HA TYR 82 HA TYR 82 2.130 -0.672 3.979 601 HB2 TYR 82 2HB TYR 82 3.339 -1.903 2.289 602 HB3 TYR 82 1HB TYR 82 1.790 -1.390 1.647 603 HD1 TYR 82 2HD TYR 82 5.440 -0.803 1.504 604 HD2 TYR 82 1HD TYR 82 1.661 0.010 -0.283 605 HE1 TYR 82 2HE TYR 82 6.578 0.084 -0.487 606 HE2 TYR 82 1HE TYR 82 2.792 0.891 -2.282 607 HH TYR 82 HH TYR 82 4.924 1.817 -2.942 608 H HIS 83 HN HIS 83 4.019 -1.059 4.990 609 HA HIS 83 HA HIS 83 6.143 0.974 4.685 610 HB2 HIS 83 2HB HIS 83 4.929 -0.100 7.250 611 HB3 HIS 83 1HB HIS 83 6.457 0.762 7.200 612 HD1 HIS 83 1HD HIS 83 6.185 3.073 7.943 613 HD2 HIS 83 2HD HIS 83 2.813 1.720 5.915 614 HE1 HIS 83 1HE HIS 83 4.557 4.986 7.978 615 HE2 HIS 83 2HE HIS 83 2.459 4.065 6.941 616 H SER 84 HN SER 84 8.193 0.126 4.653 617 HA SER 84 HA SER 84 8.505 -2.681 5.493 618 HB2 SER 84 2HB SER 84 10.476 -2.722 3.933 619 HB3 SER 84 1HB SER 84 8.928 -2.499 3.124 620 HG SER 84 HG SER 84 10.795 -0.461 3.783 621 H HIS 85 HN HIS 85 9.808 -3.029 7.197 622 HA HIS 85 HA HIS 85 11.289 -0.756 8.266 623 HB2 HIS 85 2HB HIS 85 10.686 -3.494 9.380 624 HB3 HIS 85 1HB HIS 85 11.750 -2.350 10.189 625 HD1 HIS 85 1HD HIS 85 9.099 -3.366 11.482 626 HD2 HIS 85 2HD HIS 85 9.512 0.187 9.344 627 HE1 HIS 85 1HE HIS 85 7.254 -1.853 12.295 628 HE2 HIS 85 2HE HIS 85 7.619 0.346 11.103 629 HA PRO 86 HA PRO 86 15.074 -2.462 6.736 630 HB2 PRO 86 2HB PRO 86 16.639 -0.378 7.442 631 HB3 PRO 86 1HB PRO 86 15.440 -0.277 6.150 632 HG2 PRO 86 2HG PRO 86 15.412 0.972 8.797 633 HG3 PRO 86 1HG PRO 86 14.420 1.335 7.378 634 HD2 PRO 86 2HD PRO 86 13.763 -0.284 9.714 635 HD3 PRO 86 1HD PRO 86 12.697 0.301 8.419 636 H ASP 87 HN ASP 87 14.384 -2.339 9.973 637 HA ASP 87 HA ASP 87 17.050 -3.336 10.711 638 HB2 ASP 87 2HB ASP 87 16.611 -0.933 11.439 639 HB3 ASP 87 1HB ASP 87 15.390 -1.590 12.528 640 H HIS 88 HN HIS 88 14.005 -2.805 12.426 641 HA HIS 88 HA HIS 88 14.151 -5.496 13.512 642 HB2 HIS 88 2HB HIS 88 12.468 -3.079 14.151 643 HB3 HIS 88 1HB HIS 88 12.094 -4.666 14.819 644 HD1 HIS 88 1HD HIS 88 14.075 -1.706 15.453 645 HD2 HIS 88 2HD HIS 88 14.382 -5.757 16.350 646 HE1 HIS 88 1HE HIS 88 15.715 -1.862 17.351 647 HE2 HIS 88 2HE HIS 88 16.077 -4.331 17.688 648 HA PRO 89 HA PRO 89 11.184 -7.465 10.989 649 HB2 PRO 89 2HB PRO 89 9.607 -8.253 13.366 650 HB3 PRO 89 1HB PRO 89 10.403 -9.264 12.156 651 HG2 PRO 89 2HG PRO 89 11.403 -9.042 14.612 652 HG3 PRO 89 1HG PRO 89 12.473 -9.106 13.198 653 HD2 PRO 89 2HD PRO 89 11.602 -6.737 14.811 654 HD3 PRO 89 1HD PRO 89 13.212 -7.131 14.172 655 H ALA 90 HN ALA 90 8.574 -8.048 11.244 656 HA ALA 90 HA ALA 90 7.289 -5.665 10.424 657 HB1 ALA 90 1HB ALA 90 6.096 -8.353 11.092 658 HB2 ALA 90 2HB ALA 90 6.720 -7.864 9.516 659 HB3 ALA 90 3HB ALA 90 5.301 -7.062 10.193 660 H ARG 91 HN ARG 91 4.793 -5.647 11.429 661 HA ARG 91 HA ARG 91 3.538 -4.671 13.040 662 HB2 ARG 91 2HB ARG 91 3.775 -6.548 14.440 663 HB3 ARG 91 1HB ARG 91 5.474 -6.228 14.741 664 HG2 ARG 91 2HG ARG 91 4.947 -4.420 16.207 665 HG3 ARG 91 1HG ARG 91 3.240 -4.497 15.772 666 HD2 ARG 91 2HD ARG 91 3.867 -5.546 17.980 667 HD3 ARG 91 1HD ARG 91 2.945 -6.562 16.874 668 HE ARG 91 HE ARG 91 5.069 -7.665 16.315 669 HH11 ARG 91 1HH1 ARG 91 4.877 -5.861 19.310 670 HH12 ARG 91 2HH1 ARG 91 6.165 -6.745 20.072 671 HH21 ARG 91 1HH2 ARG 91 6.704 -8.862 17.314 672 HH22 ARG 91 2HH2 ARG 91 7.202 -8.477 18.935 673 HA PRO 92 HA PRO 92 5.421 -0.723 13.430 674 HB2 PRO 92 2HB PRO 92 3.728 0.401 15.274 675 HB3 PRO 92 1HB PRO 92 3.359 0.233 13.555 676 HG2 PRO 92 2HG PRO 92 2.527 -1.496 15.852 677 HG3 PRO 92 1HG PRO 92 1.570 -0.940 14.465 678 HD2 PRO 92 2HD PRO 92 2.576 -3.421 14.570 679 HD3 PRO 92 1HD PRO 92 2.488 -2.523 13.043 680 H SER 93 HN SER 93 7.091 0.033 14.524 681 HA SER 93 HA SER 93 7.741 -0.907 17.167 682 HB2 SER 93 2HB SER 93 9.085 1.256 15.523 683 HB3 SER 93 1HB SER 93 9.776 0.379 16.891 684 HG SER 93 HG SER 93 9.073 -1.503 15.301 685 H ALA 94 HN ALA 94 8.666 1.224 18.575 686 HA ALA 94 HA ALA 94 6.253 2.189 19.649 687 HB1 ALA 94 1HB ALA 94 9.039 3.228 20.145 688 HB2 ALA 94 2HB ALA 94 8.291 1.860 20.971 689 HB3 ALA 94 3HB ALA 94 7.628 3.482 21.172 690 H THR 95 HN THR 95 8.773 3.949 17.817 691 HA THR 95 HA THR 95 7.156 6.339 17.775 692 HB THR 95 HB THR 95 9.695 5.748 16.241 693 HG1 THR 95 1HG THR 95 9.171 6.632 18.871 694 HG21 THR 95 3HG2 THR 95 8.447 7.659 15.349 695 HG22 THR 95 1HG2 THR 95 9.923 8.193 16.154 696 HG23 THR 95 2HG2 THR 95 8.365 8.365 16.964 697 H ASP 96 HN ASP 96 7.924 3.704 15.610 698 HA ASP 96 HA ASP 96 6.770 4.577 13.238 699 HB2 ASP 96 2HB ASP 96 8.037 2.450 13.568 700 HB3 ASP 96 1HB ASP 96 6.646 1.787 14.413 701 H LEU 97 HN LEU 97 5.283 3.087 16.074 702 HA LEU 97 HA LEU 97 2.616 3.122 15.111 703 HB2 LEU 97 2HB LEU 97 3.507 1.713 16.987 704 HB3 LEU 97 1HB LEU 97 3.584 3.153 17.974 705 HG LEU 97 HG LEU 97 0.980 2.243 16.787 706 HD11 LEU 97 1HD1 LEU 97 1.924 0.330 17.962 707 HD12 LEU 97 2HD1 LEU 97 0.550 1.004 18.841 708 HD13 LEU 97 3HD1 LEU 97 2.195 1.335 19.388 709 HD21 LEU 97 3HD2 LEU 97 0.043 3.396 18.726 710 HD22 LEU 97 1HD2 LEU 97 1.058 4.482 17.779 711 HD23 LEU 97 2HD2 LEU 97 1.668 3.793 19.283 712 H GLU 98 HN GLU 98 4.531 5.354 17.085 713 HA GLU 98 HA GLU 98 2.468 7.064 17.885 714 HB2 GLU 98 2HB GLU 98 5.407 7.611 17.473 715 HB3 GLU 98 1HB GLU 98 4.300 8.763 18.206 716 HG2 GLU 98 2HG GLU 98 3.816 7.162 19.987 717 HG3 GLU 98 1HG GLU 98 4.939 6.016 19.255 718 H GLU 99 HN GLU 99 4.373 7.066 14.916 719 HA GLU 99 HA GLU 99 3.392 9.654 14.137 720 HB2 GLU 99 2HB GLU 99 4.991 7.597 12.623 721 HB3 GLU 99 1HB GLU 99 4.561 9.176 11.980 722 HG2 GLU 99 2HG GLU 99 5.685 9.956 14.267 723 HG3 GLU 99 1HG GLU 99 6.542 8.431 14.040 724 H ALA 100 HN ALA 100 1.813 6.818 14.299 725 HA ALA 100 HA ALA 100 0.375 6.981 11.814 726 HB1 ALA 100 1HB ALA 100 -0.398 5.552 14.355 727 HB2 ALA 100 2HB ALA 100 0.565 4.863 13.048 728 HB3 ALA 100 3HB ALA 100 -1.114 5.321 12.761 729 H THR 101 HN THR 101 -0.016 9.269 11.933 730 HA THR 101 HA THR 101 -1.964 10.173 13.929 731 HB THR 101 HB THR 101 0.142 11.427 13.591 732 HG1 THR 101 1HG THR 101 -2.221 12.433 13.893 733 HG21 THR 101 3HG2 THR 101 0.405 12.813 11.566 734 HG22 THR 101 1HG2 THR 101 -0.975 11.979 10.855 735 HG23 THR 101 2HG2 THR 101 0.496 11.081 11.237 736 H PHE 102 HN PHE 102 -1.901 8.956 10.883 737 HA PHE 102 HA PHE 102 -4.408 10.307 10.168 738 HB2 PHE 102 2HB PHE 102 -3.814 9.755 7.755 739 HB3 PHE 102 1HB PHE 102 -2.865 11.018 8.525 740 HD1 PHE 102 1HD PHE 102 -0.558 10.401 9.409 741 HD2 PHE 102 2HD PHE 102 -2.781 7.899 6.783 742 HE1 PHE 102 1HE PHE 102 1.511 9.233 8.777 743 HE2 PHE 102 2HE PHE 102 -0.714 6.725 6.144 744 HZ PHE 102 HZ PHE 102 1.438 7.393 7.143 745 HA PRO 103 HA PRO 103 -5.479 5.908 10.784 746 HB2 PRO 103 2HB PRO 103 -7.947 6.860 11.940 747 HB3 PRO 103 1HB PRO 103 -6.613 6.022 12.733 748 HG2 PRO 103 2HG PRO 103 -7.274 8.634 13.218 749 HG3 PRO 103 1HG PRO 103 -5.647 7.968 13.442 750 HD2 PRO 103 2HD PRO 103 -6.744 9.566 11.160 751 HD3 PRO 103 1HD PRO 103 -5.156 9.675 11.952 752 H GLY 104 HN GLY 104 -7.507 4.696 10.183 753 HA2 GLY 104 2HA GLY 104 -9.560 4.577 8.981 754 HA3 GLY 104 1HA GLY 104 -9.155 6.090 8.187 755 H PHE 105 HN PHE 105 -6.527 3.976 8.304 756 HA PHE 105 HA PHE 105 -7.084 3.059 5.561 757 HB2 PHE 105 2HB PHE 105 -4.499 4.077 6.742 758 HB3 PHE 105 1HB PHE 105 -4.587 3.218 5.212 759 HD1 PHE 105 2HD PHE 105 -5.971 4.220 3.350 760 HD2 PHE 105 1HD PHE 105 -4.898 6.381 6.857 761 HE1 PHE 105 2HE PHE 105 -6.415 6.336 2.177 762 HE2 PHE 105 1HE PHE 105 -5.343 8.501 5.688 763 HZ PHE 105 HZ PHE 105 -6.101 8.477 3.341 764 H THR 106 HN THR 106 -5.954 1.086 4.920 765 HA THR 106 HA THR 106 -5.472 -0.743 7.139 766 HB THR 106 HB THR 106 -5.365 -1.293 4.157 767 HG1 THR 106 1HG THR 106 -7.466 -0.840 4.543 768 HG21 THR 106 3HG2 THR 106 -4.143 -2.927 5.526 769 HG22 THR 106 1HG2 THR 106 -5.585 -3.638 4.801 770 HG23 THR 106 2HG2 THR 106 -5.587 -3.183 6.505 771 H TYR 107 HN TYR 107 -3.476 -0.946 7.956 772 HA TYR 107 HA TYR 107 -1.247 0.150 6.399 773 HB2 TYR 107 2HB TYR 107 -1.271 -0.564 9.334 774 HB3 TYR 107 1HB TYR 107 -0.075 0.407 8.482 775 HD1 TYR 107 2HD TYR 107 -3.458 0.341 9.872 776 HD2 TYR 107 1HD TYR 107 -0.504 2.735 7.969 777 HE1 TYR 107 2HE TYR 107 -4.731 2.355 10.447 778 HE2 TYR 107 1HE TYR 107 -1.774 4.764 8.546 779 HH TYR 107 HH TYR 107 -3.908 5.487 9.194 780 H VAL 108 HN VAL 108 -0.271 -1.368 5.218 781 HA VAL 108 HA VAL 108 0.130 -4.025 6.391 782 HB VAL 108 HB VAL 108 0.715 -3.071 3.572 783 HG11 VAL 108 1HG1 VAL 108 0.970 -5.460 3.051 784 HG12 VAL 108 2HG1 VAL 108 0.766 -5.846 4.760 785 HG13 VAL 108 3HG1 VAL 108 2.166 -4.914 4.226 786 HG21 VAL 108 3HG2 VAL 108 -1.673 -3.086 4.039 787 HG22 VAL 108 1HG2 VAL 108 -1.558 -4.738 4.651 788 HG23 VAL 108 2HG2 VAL 108 -1.253 -4.405 2.946 789 H ILE 109 HN ILE 109 1.904 -4.335 7.504 790 HA ILE 109 HA ILE 109 4.292 -2.756 6.810 791 HB ILE 109 HB ILE 109 3.561 -4.039 9.452 792 HG12 ILE 109 2HG1 ILE 109 3.742 -1.131 8.627 793 HG13 ILE 109 1HG1 ILE 109 2.254 -2.018 8.933 794 HG21 ILE 109 1HG2 ILE 109 5.965 -4.114 9.077 795 HG22 ILE 109 2HG2 ILE 109 5.572 -2.938 10.330 796 HG23 ILE 109 3HG2 ILE 109 5.973 -2.391 8.703 797 HD11 ILE 109 3HD1 ILE 109 2.944 -2.312 11.267 798 HD12 ILE 109 1HD1 ILE 109 2.807 -0.615 10.809 799 HD13 ILE 109 2HD1 ILE 109 4.396 -1.368 10.938 800 H VAL 110 HN VAL 110 5.820 -3.827 5.823 801 HA VAL 110 HA VAL 110 5.901 -6.753 6.094 802 HB VAL 110 HB VAL 110 5.450 -6.032 3.811 803 HG11 VAL 110 1HG1 VAL 110 6.433 -3.814 3.867 804 HG12 VAL 110 2HG1 VAL 110 7.090 -4.744 2.521 805 HG13 VAL 110 3HG1 VAL 110 8.048 -4.513 3.983 806 HG21 VAL 110 3HG2 VAL 110 7.296 -7.172 2.655 807 HG22 VAL 110 1HG2 VAL 110 6.761 -8.048 4.089 808 HG23 VAL 110 2HG2 VAL 110 8.250 -7.104 4.137 809 H SER 111 HN SER 111 7.693 -7.749 6.701 810 HA SER 111 HA SER 111 9.906 -6.114 7.648 811 HB2 SER 111 2HB SER 111 8.864 -7.877 9.100 812 HB3 SER 111 1HB SER 111 9.432 -9.091 7.956 813 HG SER 111 HG SER 111 10.964 -8.966 9.543 814 H VAL 112 HN VAL 112 11.372 -5.669 6.094 815 HA VAL 112 HA VAL 112 12.363 -7.940 4.499 816 HB VAL 112 HB VAL 112 12.132 -5.075 3.537 817 HG11 VAL 112 1HG1 VAL 112 12.986 -5.919 1.416 818 HG12 VAL 112 2HG1 VAL 112 13.159 -7.529 2.113 819 HG13 VAL 112 3HG1 VAL 112 14.147 -6.197 2.713 820 HG21 VAL 112 3HG2 VAL 112 9.974 -6.175 3.523 821 HG22 VAL 112 1HG2 VAL 112 10.661 -7.570 2.694 822 HG23 VAL 112 2HG2 VAL 112 10.570 -6.015 1.871 823 H ARG 113 HN ARG 113 14.393 -8.375 5.004 824 HA ARG 113 HA ARG 113 15.906 -6.246 6.358 825 HB2 ARG 113 2HB ARG 113 15.966 -9.223 6.868 826 HB3 ARG 113 1HB ARG 113 16.907 -8.009 7.726 827 HG2 ARG 113 2HG ARG 113 14.945 -7.030 8.663 828 HG3 ARG 113 1HG ARG 113 13.901 -8.016 7.640 829 HD2 ARG 113 2HD ARG 113 13.860 -8.977 9.804 830 HD3 ARG 113 1HD ARG 113 14.844 -10.030 8.791 831 HE ARG 113 HE ARG 113 16.467 -8.133 10.146 832 HH11 ARG 113 1HH1 ARG 113 14.609 -11.059 10.641 833 HH12 ARG 113 2HH1 ARG 113 15.598 -11.622 11.958 834 HH21 ARG 113 1HH2 ARG 113 17.737 -8.823 11.923 835 HH22 ARG 113 2HH2 ARG 113 17.402 -10.356 12.676 836 H ASP 114 HN ASP 114 17.252 -5.475 4.961 837 HA ASP 114 HA ASP 114 18.795 -5.272 3.312 838 HB2 ASP 114 2HB ASP 114 20.129 -6.173 5.225 839 HB3 ASP 114 1HB ASP 114 19.933 -7.782 4.544 840 H GLY 115 HN GLY 115 16.683 -6.144 2.123 841 HA2 GLY 115 2HA GLY 115 16.281 -6.870 -0.049 842 HA3 GLY 115 1HA GLY 115 17.810 -7.732 -0.016 843 H ALA 116 HN ALA 116 16.436 -8.722 2.741 844 HA ALA 116 HA ALA 116 15.237 -11.041 1.399 845 HB1 ALA 116 1HB ALA 116 15.777 -12.333 3.351 846 HB2 ALA 116 2HB ALA 116 16.313 -10.886 4.205 847 HB3 ALA 116 3HB ALA 116 17.218 -11.472 2.807 848 HA PRO 117 HA PRO 117 11.366 -9.469 3.140 849 HB2 PRO 117 2HB PRO 117 10.243 -11.655 1.525 850 HB3 PRO 117 1HB PRO 117 9.895 -9.925 1.461 851 HG2 PRO 117 2HG PRO 117 11.258 -11.147 -0.494 852 HG3 PRO 117 1HG PRO 117 11.638 -9.490 0.009 853 HD2 PRO 117 2HD PRO 117 13.041 -12.049 0.724 854 HD3 PRO 117 1HD PRO 117 13.734 -10.478 0.260 855 H GLU 118 HN GLU 118 10.804 -10.089 5.092 856 HA GLU 118 HA GLU 118 11.333 -12.827 5.946 857 HB2 GLU 118 2HB GLU 118 12.270 -10.932 7.210 858 HB3 GLU 118 1HB GLU 118 10.646 -10.353 7.534 859 HG2 GLU 118 2HG GLU 118 10.171 -12.385 8.795 860 HG3 GLU 118 1HG GLU 118 11.807 -12.959 8.475 861 H ALA 119 HN ALA 119 8.775 -10.467 6.772 862 HA ALA 119 HA ALA 119 6.738 -12.462 6.211 863 HB1 ALA 119 1HB ALA 119 5.777 -12.409 8.443 864 HB2 ALA 119 2HB ALA 119 7.067 -11.340 8.991 865 HB3 ALA 119 3HB ALA 119 7.439 -12.993 8.500 866 H LEU 120 HN LEU 120 4.614 -11.649 6.172 867 HA LEU 120 HA LEU 120 4.390 -8.724 5.955 868 HB2 LEU 120 2HB LEU 120 2.856 -11.015 4.776 869 HB3 LEU 120 1HB LEU 120 2.118 -9.431 4.896 870 HG LEU 120 HG LEU 120 4.687 -9.992 3.417 871 HD11 LEU 120 1HD1 LEU 120 2.796 -11.140 2.375 872 HD12 LEU 120 2HD1 LEU 120 3.340 -9.781 1.392 873 HD13 LEU 120 3HD1 LEU 120 1.879 -9.632 2.369 874 HD21 LEU 120 3HD2 LEU 120 4.493 -7.701 4.191 875 HD22 LEU 120 1HD2 LEU 120 2.876 -7.584 3.495 876 HD23 LEU 120 2HD2 LEU 120 4.277 -7.782 2.443 877 H THR 121 HN THR 121 2.948 -7.587 7.182 878 HA THR 121 HA THR 121 0.937 -9.049 8.724 879 HB THR 121 HB THR 121 1.381 -7.525 10.693 880 HG1 THR 121 1HG THR 121 3.381 -6.680 8.994 881 HG21 THR 121 3HG2 THR 121 3.255 -8.864 11.569 882 HG22 THR 121 1HG2 THR 121 3.549 -9.487 9.946 883 HG23 THR 121 2HG2 THR 121 2.036 -9.862 10.775 884 H ALA 122 HN ALA 122 -1.025 -8.071 8.597 885 HA ALA 122 HA ALA 122 -1.073 -5.298 7.602 886 HB1 ALA 122 1HB ALA 122 -2.113 -6.936 6.085 887 HB2 ALA 122 2HB ALA 122 -3.287 -5.772 6.703 888 HB3 ALA 122 3HB ALA 122 -3.226 -7.404 7.370 889 H TRP 123 HN TRP 123 -2.185 -3.755 8.681 890 HA TRP 123 HA TRP 123 -3.371 -4.551 11.248 891 HB2 TRP 123 2HB TRP 123 -1.364 -2.320 10.875 892 HB3 TRP 123 1HB TRP 123 -2.110 -2.815 12.392 893 HD1 TRP 123 1HD TRP 123 0.594 -3.856 9.898 894 HE1 TRP 123 1HE TRP 123 2.071 -5.661 10.997 895 HE3 TRP 123 3HE TRP 123 -2.169 -4.690 14.113 896 HZ2 TRP 123 2HZ TRP 123 2.046 -7.241 13.345 897 HZ3 TRP 123 3HZ TRP 123 -1.395 -6.378 15.722 898 HH2 TRP 123 2HH TRP 123 0.677 -7.625 15.350 899 H ALA 124 HN ALA 124 -5.005 -3.319 11.986 900 HA ALA 124 HA ALA 124 -5.704 -0.891 10.475 901 HB1 ALA 124 1HB ALA 124 -7.492 -2.607 12.201 902 HB2 ALA 124 2HB ALA 124 -7.437 -2.641 10.438 903 HB3 ALA 124 3HB ALA 124 -7.978 -1.186 11.274 904 H LEU 125 HN LEU 125 -5.546 0.998 11.532 905 HA LEU 125 HA LEU 125 -4.516 0.981 14.229 906 HB2 LEU 125 2HB LEU 125 -3.552 2.504 12.610 907 HB3 LEU 125 1HB LEU 125 -5.118 3.231 12.310 908 HG LEU 125 HG LEU 125 -5.123 4.016 14.695 909 HD11 LEU 125 1HD1 LEU 125 -2.970 4.092 15.866 910 HD12 LEU 125 2HD1 LEU 125 -2.254 3.099 14.596 911 HD13 LEU 125 3HD1 LEU 125 -3.531 2.439 15.618 912 HD21 LEU 125 3HD2 LEU 125 -3.544 5.860 14.275 913 HD22 LEU 125 1HD2 LEU 125 -4.583 5.523 12.889 914 HD23 LEU 125 2HD2 LEU 125 -2.910 4.971 12.890 915 H ALA 126 HN ALA 126 -5.558 1.591 16.052 916 HA ALA 126 HA ALA 126 -8.370 1.878 16.138 917 HB1 ALA 126 1HB ALA 126 -8.015 2.566 18.476 918 HB2 ALA 126 2HB ALA 126 -6.285 2.710 18.169 919 HB3 ALA 126 3HB ALA 126 -7.068 1.132 18.079 920 HA PRO 127 HA PRO 127 -8.929 5.999 14.660 921 HB2 PRO 127 2HB PRO 127 -10.897 6.321 16.867 922 HB3 PRO 127 1HB PRO 127 -11.106 6.553 15.127 923 HG2 PRO 127 2HG PRO 127 -12.109 4.403 16.338 924 HG3 PRO 127 1HG PRO 127 -11.385 4.281 14.724 925 HD2 PRO 127 2HD PRO 127 -10.263 3.484 17.374 926 HD3 PRO 127 1HD PRO 127 -10.111 2.682 15.797 927 H ASP 128 HN ASP 128 -8.322 5.427 18.037 928 HA ASP 128 HA ASP 128 -7.503 8.221 18.432 929 HB2 ASP 128 2HB ASP 128 -7.679 7.750 20.820 930 HB3 ASP 128 1HB ASP 128 -9.181 7.333 20.002 931 H ARG 129 HN ARG 129 -6.104 5.691 17.266 932 HA ARG 129 HA ARG 129 -4.109 4.632 17.280 933 HB2 ARG 129 2HB ARG 129 -2.165 6.092 17.207 934 HB3 ARG 129 1HB ARG 129 -3.504 6.760 16.292 935 HG2 ARG 129 2HG ARG 129 -3.951 8.362 18.034 936 HG3 ARG 129 1HG ARG 129 -2.713 7.633 19.060 937 HD2 ARG 129 2HD ARG 129 -0.987 8.255 17.500 938 HD3 ARG 129 1HD ARG 129 -2.185 8.850 16.353 939 HE ARG 129 HE ARG 129 -2.451 10.213 18.818 940 HH11 ARG 129 1HH1 ARG 129 -0.222 9.945 16.132 941 HH12 ARG 129 2HH1 ARG 129 0.275 11.609 16.200 942 HH21 ARG 129 1HH2 ARG 129 -1.805 12.418 18.919 943 HH22 ARG 129 2HH2 ARG 129 -0.638 13.017 17.773 944 H SER 130 HN SER 130 -5.306 4.171 19.731 945 HA SER 130 HA SER 130 -3.243 4.376 21.733 946 HB2 SER 130 2HB SER 130 -5.844 2.834 21.661 947 HB3 SER 130 1HB SER 130 -4.735 2.808 23.031 948 HG SER 130 HG SER 130 -6.529 4.728 22.261 949 H GLU 131 HN GLU 131 -4.136 2.182 19.224 950 HA GLU 131 HA GLU 131 -1.741 0.691 19.439 951 HB2 GLU 131 2HB GLU 131 -2.605 -1.472 20.079 952 HB3 GLU 131 1HB GLU 131 -3.013 -0.316 21.341 953 HG2 GLU 131 2HG GLU 131 -5.276 -0.149 20.493 954 HG3 GLU 131 1HG GLU 131 -4.882 -1.252 19.176 955 H PHE 132 HN PHE 132 -1.936 -1.336 17.975 956 HA PHE 132 HA PHE 132 -3.703 -0.739 15.702 957 HB2 PHE 132 2HB PHE 132 -0.997 -2.053 15.851 958 HB3 PHE 132 1HB PHE 132 -2.058 -2.322 14.477 959 HD1 PHE 132 1HD PHE 132 -0.140 0.224 16.325 960 HD2 PHE 132 2HD PHE 132 -2.302 -0.706 12.784 961 HE1 PHE 132 1HE PHE 132 0.730 2.267 15.263 962 HE2 PHE 132 2HE PHE 132 -1.439 1.331 11.713 963 HZ PHE 132 HZ PHE 132 0.082 2.823 12.953 964 H HIS 133 HN HIS 133 -4.785 -2.504 14.719 965 HA HIS 133 HA HIS 133 -4.805 -4.987 16.317 966 HB2 HIS 133 2HB HIS 133 -7.132 -3.664 14.917 967 HB3 HIS 133 1HB HIS 133 -7.185 -5.279 15.595 968 HD1 HIS 133 1HD HIS 133 -7.770 -5.487 18.014 969 HD2 HIS 133 2HD HIS 133 -6.889 -1.567 16.926 970 HE1 HIS 133 1HE HIS 133 -8.326 -4.085 20.024 971 HE2 HIS 133 2HE HIS 133 -7.763 -1.721 19.367 972 H ARG 134 HN ARG 134 -4.558 -6.824 15.202 973 HA ARG 134 HA ARG 134 -3.561 -6.524 12.523 974 HB2 ARG 134 2HB ARG 134 -2.443 -7.944 14.169 975 HB3 ARG 134 1HB ARG 134 -3.824 -9.039 14.095 976 HG2 ARG 134 2HG ARG 134 -3.463 -9.362 11.724 977 HG3 ARG 134 1HG ARG 134 -2.102 -8.241 11.763 978 HD2 ARG 134 2HD ARG 134 -0.847 -9.667 13.107 979 HD3 ARG 134 1HD ARG 134 -2.248 -10.661 13.469 980 HE ARG 134 HE ARG 134 -0.715 -10.654 10.966 981 HH11 ARG 134 1HH1 ARG 134 -3.294 -12.028 12.913 982 HH12 ARG 134 2HH1 ARG 134 -3.509 -13.408 11.873 983 HH21 ARG 134 1HH2 ARG 134 -0.993 -12.457 9.609 984 HH22 ARG 134 2HH2 ARG 134 -2.176 -13.668 10.008 985 H GLU 135 HN GLU 135 -4.368 -7.290 10.672 986 HA GLU 135 HA GLU 135 -6.841 -8.864 10.763 987 HB2 GLU 135 2HB GLU 135 -7.398 -6.486 10.286 988 HB3 GLU 135 1HB GLU 135 -6.353 -6.546 8.877 989 HG2 GLU 135 2HG GLU 135 -7.776 -8.201 7.849 990 HG3 GLU 135 1HG GLU 135 -8.792 -8.263 9.289 991 H ASP 136 HN ASP 136 -7.084 -10.231 8.912 992 HA ASP 136 HA ASP 136 -4.468 -10.871 7.737 993 HB2 ASP 136 2HB ASP 136 -5.975 -12.549 9.164 994 HB3 ASP 136 1HB ASP 136 -6.735 -12.806 7.599 995 H ILE 137 HN ILE 137 -4.559 -11.817 5.520 996 HA ILE 137 HA ILE 137 -6.120 -10.002 3.882 997 HB ILE 137 HB ILE 137 -3.922 -11.949 3.169 998 HG12 ILE 137 2HG1 ILE 137 -2.826 -9.755 2.427 999 HG13 ILE 137 1HG1 ILE 137 -4.090 -8.942 3.333 1000 HG21 ILE 137 1HG2 ILE 137 -5.501 -10.139 1.348 1001 HG22 ILE 137 2HG2 ILE 137 -5.490 -11.902 1.334 1002 HG23 ILE 137 3HG2 ILE 137 -4.037 -11.009 0.893 1003 HD11 ILE 137 3HD1 ILE 137 -2.083 -10.866 4.469 1004 HD12 ILE 137 1HD1 ILE 137 -3.351 -10.045 5.377 1005 HD13 ILE 137 2HD1 ILE 137 -2.051 -9.111 4.632 1006 H VAL 138 HN VAL 138 -8.021 -10.532 3.131 1007 HA VAL 138 HA VAL 138 -8.636 -13.372 2.677 1008 HB VAL 138 HB VAL 138 -10.993 -11.799 2.459 1009 HG11 VAL 138 1HG1 VAL 138 -10.063 -13.769 4.539 1010 HG12 VAL 138 2HG1 VAL 138 -10.964 -14.129 3.064 1011 HG13 VAL 138 3HG1 VAL 138 -11.723 -13.200 4.359 1012 HG21 VAL 138 3HG2 VAL 138 -11.170 -10.844 4.703 1013 HG22 VAL 138 1HG2 VAL 138 -9.865 -10.086 3.792 1014 HG23 VAL 138 2HG2 VAL 138 -9.496 -11.289 5.029 1015 H ARG 139 HN ARG 139 -9.579 -13.977 0.718 1016 HA ARG 139 HA ARG 139 -8.626 -12.435 -1.490 1017 HB2 ARG 139 2HB ARG 139 -10.278 -14.966 -1.406 1018 HB3 ARG 139 1HB ARG 139 -9.530 -14.290 -2.842 1019 HG2 ARG 139 2HG ARG 139 -7.318 -14.585 -1.830 1020 HG3 ARG 139 1HG ARG 139 -8.080 -15.291 -0.404 1021 HD2 ARG 139 2HD ARG 139 -8.139 -16.378 -3.214 1022 HD3 ARG 139 1HD ARG 139 -7.254 -17.046 -1.843 1023 HE ARG 139 HE ARG 139 -10.174 -16.846 -1.683 1024 HH11 ARG 139 1HH1 ARG 139 -7.281 -18.823 -1.823 1025 HH12 ARG 139 2HH1 ARG 139 -8.137 -20.308 -1.552 1026 HH21 ARG 139 1HH2 ARG 139 -11.292 -18.764 -1.294 1027 HH22 ARG 139 2HH2 ARG 139 -10.437 -20.283 -1.242 1028 HA PRO 140 HA PRO 140 -12.247 -10.050 -2.383 1029 HB2 PRO 140 2HB PRO 140 -11.571 -10.476 -5.235 1030 HB3 PRO 140 1HB PRO 140 -11.729 -8.965 -4.331 1031 HG2 PRO 140 2HG PRO 140 -9.335 -9.884 -5.085 1032 HG3 PRO 140 1HG PRO 140 -9.564 -9.066 -3.527 1033 HD2 PRO 140 2HD PRO 140 -9.302 -11.993 -4.111 1034 HD3 PRO 140 1HD PRO 140 -8.624 -11.045 -2.770 1035 H ASP 141 HN ASP 141 -14.345 -10.548 -2.707 1036 HA ASP 141 HA ASP 141 -14.983 -13.205 -3.711 1037 HB2 ASP 141 2HB ASP 141 -16.736 -11.103 -2.404 1038 HB3 ASP 141 1HB ASP 141 -17.265 -12.721 -2.854 1039 HA PRO 142 HA PRO 142 -15.938 -10.866 -7.441 1040 HB2 PRO 142 2HB PRO 142 -14.662 -12.455 -9.158 1041 HB3 PRO 142 1HB PRO 142 -13.764 -11.457 -8.010 1042 HG2 PRO 142 2HG PRO 142 -14.184 -14.378 -8.026 1043 HG3 PRO 142 1HG PRO 142 -12.897 -13.432 -7.264 1044 HD2 PRO 142 2HD PRO 142 -15.324 -14.479 -6.068 1045 HD3 PRO 142 1HD PRO 142 -13.972 -13.639 -5.277 1046 H GLU 143 HN GLU 143 -17.761 -12.847 -6.245 1047 HA GLU 143 HA GLU 143 -18.874 -14.021 -8.704 1048 HB2 GLU 143 2HB GLU 143 -19.114 -15.017 -5.867 1049 HB3 GLU 143 1HB GLU 143 -19.912 -15.733 -7.261 1050 HG2 GLU 143 2HG GLU 143 -17.603 -16.043 -8.249 1051 HG3 GLU 143 1HG GLU 143 -16.976 -15.620 -6.656 1052 H ALA 144 HN ALA 144 -19.325 -11.679 -6.416 1053 HA ALA 144 HA ALA 144 -22.223 -11.699 -6.498 1054 HB1 ALA 144 1HB ALA 144 -22.051 -9.654 -5.153 1055 HB2 ALA 144 2HB ALA 144 -20.298 -9.678 -5.344 1056 HB3 ALA 144 3HB ALA 144 -21.106 -10.970 -4.458 1057 HA PRO 145 HA PRO 145 -22.716 -9.366 -10.231 1058 HB2 PRO 145 2HB PRO 145 -24.696 -7.619 -9.267 1059 HB3 PRO 145 1HB PRO 145 -24.958 -9.153 -10.095 1060 HG2 PRO 145 2HG PRO 145 -25.010 -8.533 -7.191 1061 HG3 PRO 145 1HG PRO 145 -25.948 -9.728 -8.103 1062 HD2 PRO 145 2HD PRO 145 -23.892 -10.440 -6.523 1063 HD3 PRO 145 1HD PRO 145 -24.244 -11.294 -8.041 1064 H LEU 146 HN LEU 146 -21.701 -7.654 -11.042 1065 HA LEU 146 HA LEU 146 -20.114 -6.081 -9.258 1066 HB2 LEU 146 2HB LEU 146 -20.390 -5.991 -12.263 1067 HB3 LEU 146 1HB LEU 146 -19.188 -5.120 -11.337 1068 HG LEU 146 HG LEU 146 -19.415 -8.118 -11.510 1069 HD11 LEU 146 1HD1 LEU 146 -17.328 -7.971 -12.783 1070 HD12 LEU 146 2HD1 LEU 146 -17.425 -6.211 -12.730 1071 HD13 LEU 146 3HD1 LEU 146 -18.651 -7.135 -13.598 1072 HD21 LEU 146 3HD2 LEU 146 -18.540 -7.394 -9.354 1073 HD22 LEU 146 1HD2 LEU 146 -17.354 -6.375 -10.165 1074 HD23 LEU 146 2HD2 LEU 146 -17.267 -8.128 -10.330 1075 H GLU 147 HN GLU 147 -19.820 -3.675 -10.006 1076 HA GLU 147 HA GLU 147 -22.093 -2.227 -9.236 1077 HB2 GLU 147 2HB GLU 147 -19.473 -1.667 -9.376 1078 HB3 GLU 147 1HB GLU 147 -19.975 -0.920 -10.883 1079 HG2 GLU 147 2HG GLU 147 -21.178 -0.286 -8.199 1080 HG3 GLU 147 1HG GLU 147 -19.864 0.623 -8.942 1081 H HIS 148 HN HIS 148 -23.337 -0.711 -10.543 1082 HA HIS 148 HA HIS 148 -24.267 -1.971 -12.952 1083 HB2 HIS 148 2HB HIS 148 -25.612 -0.676 -11.143 1084 HB3 HIS 148 1HB HIS 148 -25.099 0.765 -12.013 1085 HD1 HIS 148 1HD HIS 148 -27.380 -2.173 -12.234 1086 HD2 HIS 148 2HD HIS 148 -26.322 1.138 -14.520 1087 HE1 HIS 148 1HE HIS 148 -29.121 -2.011 -14.045 1088 HE2 HIS 148 2HE HIS 148 -28.604 0.151 -15.237 1089 H HIS 149 HN HIS 149 -21.783 0.126 -12.278 1090 HA HIS 149 HA HIS 149 -20.164 0.965 -13.624 1091 HB2 HIS 149 2HB HIS 149 -21.954 0.195 -15.941 1092 HB3 HIS 149 1HB HIS 149 -20.319 0.827 -16.095 1093 HD1 HIS 149 1HD HIS 149 -18.361 -0.761 -15.358 1094 HD2 HIS 149 2HD HIS 149 -22.141 -2.497 -15.316 1095 HE1 HIS 149 1HE HIS 149 -17.968 -3.242 -15.167 1096 HE2 HIS 149 2HE HIS 149 -20.268 -4.282 -15.289 1097 H HIS 150 HN HIS 150 -20.259 3.005 -12.911 1098 HA HIS 150 HA HIS 150 -22.259 4.851 -13.867 1099 HB2 HIS 150 2HB HIS 150 -19.821 5.185 -12.122 1100 HB3 HIS 150 1HB HIS 150 -20.793 6.556 -12.645 1101 HD1 HIS 150 1HD HIS 150 -23.349 6.527 -11.815 1102 HD2 HIS 150 2HD HIS 150 -20.771 3.867 -9.926 1103 HE1 HIS 150 1HE HIS 150 -24.531 5.813 -9.716 1104 HE2 HIS 150 2HE HIS 150 -23.028 4.081 -8.673 1105 H HIS 151 HN HIS 151 -22.010 4.868 -16.064 1106 HA HIS 151 HA HIS 151 -19.977 6.672 -17.048 1107 HB2 HIS 151 2HB HIS 151 -18.896 4.434 -17.244 1108 HB3 HIS 151 1HB HIS 151 -20.253 3.887 -18.222 1109 HD1 HIS 151 1HD HIS 151 -20.380 4.769 -20.685 1110 HD2 HIS 151 2HD HIS 151 -17.045 6.055 -18.548 1111 HE1 HIS 151 1HE HIS 151 -18.803 5.727 -22.393 1112 HE2 HIS 151 2HE HIS 151 -16.733 6.366 -21.100 1113 H HIS 152 HN HIS 152 -21.178 8.098 -18.183 1114 HA HIS 152 HA HIS 152 -23.750 7.307 -19.193 1115 HB2 HIS 152 2HB HIS 152 -23.871 9.678 -20.054 1116 HB3 HIS 152 1HB HIS 152 -23.708 9.504 -18.315 1117 HD1 HIS 152 1HD HIS 152 -21.680 10.557 -17.212 1118 HD2 HIS 152 2HD HIS 152 -21.594 10.767 -21.369 1119 HE1 HIS 152 1HE HIS 152 -19.825 12.155 -17.776 1120 HE2 HIS 152 2HE HIS 152 -20.002 12.486 -20.267 1121 H HIS 153 HN HIS 153 -24.111 6.393 -21.012 1122 HA HIS 153 HA HIS 153 -23.885 5.501 -23.070 1123 HB2 HIS 153 2HB HIS 153 -22.050 7.858 -23.541 1124 HB3 HIS 153 1HB HIS 153 -22.490 6.697 -24.789 1125 HD1 HIS 153 1HD HIS 153 -25.439 6.423 -24.537 1126 HD2 HIS 153 2HD HIS 153 -23.504 10.074 -24.027 1127 HE1 HIS 153 1HE HIS 153 -27.175 8.190 -24.996 1128 HE2 HIS 153 2HE HIS 153 -26.027 10.380 -24.517 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -10.261 -6.932 5.880 2 H2 MET 1 H2 MET 1 -9.584 -8.460 5.649 3 H3 MET 1 H3 MET 1 -10.959 -7.999 4.766 4 HA MET 1 HA MET 1 -9.740 -6.317 3.610 5 HB2 MET 1 2HB MET 1 -8.156 -5.746 5.376 6 HB3 MET 1 1HB MET 1 -7.415 -7.336 5.271 7 HG2 MET 1 2HG MET 1 -6.787 -6.781 2.911 8 HG3 MET 1 1HG MET 1 -7.334 -5.134 3.227 9 HE1 MET 1 2HE MET 1 -4.353 -5.952 2.233 10 HE2 MET 1 3HE MET 1 -3.418 -4.814 3.205 11 HE3 MET 1 1HE MET 1 -4.927 -4.299 2.452 12 H LYS 2 HN LYS 2 -9.436 -6.981 1.606 13 HA LYS 2 HA LYS 2 -8.391 -9.704 1.163 14 HB2 LYS 2 2HB LYS 2 -10.623 -8.201 -0.095 15 HB3 LYS 2 1HB LYS 2 -9.647 -9.204 -1.155 16 HG2 LYS 2 2HG LYS 2 -11.642 -10.365 -0.356 17 HG3 LYS 2 1HG LYS 2 -10.160 -11.162 0.165 18 HD2 LYS 2 2HD LYS 2 -10.510 -10.669 2.360 19 HD3 LYS 2 1HD LYS 2 -11.346 -9.159 1.997 20 HE2 LYS 2 2HE LYS 2 -12.497 -11.913 1.569 21 HE3 LYS 2 1HE LYS 2 -12.834 -10.882 2.961 22 HZ1 LYS 2 3HZ LYS 2 -13.689 -9.195 1.404 23 HZ2 LYS 2 1HZ LYS 2 -14.581 -10.638 1.355 24 HZ3 LYS 2 2HZ LYS 2 -13.479 -10.281 0.119 25 H THR 3 HN THR 3 -6.837 -10.001 -0.377 26 HA THR 3 HA THR 3 -6.183 -7.909 -2.242 27 HB THR 3 HB THR 3 -4.917 -7.166 -0.264 28 HG1 THR 3 1HG THR 3 -3.971 -6.746 -2.260 29 HG21 THR 3 3HG2 THR 3 -3.507 -9.829 -0.476 30 HG22 THR 3 1HG2 THR 3 -4.585 -9.325 0.826 31 HG23 THR 3 2HG2 THR 3 -3.048 -8.499 0.586 32 H THR 4 HN THR 4 -4.788 -8.679 -3.929 33 HA THR 4 HA THR 4 -5.215 -11.496 -4.353 34 HB THR 4 HB THR 4 -4.244 -11.039 -6.612 35 HG1 THR 4 1HG THR 4 -3.991 -8.749 -7.112 36 HG21 THR 4 3HG2 THR 4 -6.123 -9.633 -7.394 37 HG22 THR 4 1HG2 THR 4 -6.498 -9.237 -5.718 38 HG23 THR 4 2HG2 THR 4 -6.646 -10.900 -6.285 39 HA PRO 5 HA PRO 5 -1.151 -12.984 -3.325 40 HB2 PRO 5 2HB PRO 5 -0.903 -14.859 -5.345 41 HB3 PRO 5 1HB PRO 5 -1.744 -15.137 -3.820 42 HG2 PRO 5 2HG PRO 5 -2.856 -14.433 -6.498 43 HG3 PRO 5 1HG PRO 5 -3.497 -15.543 -5.270 44 HD2 PRO 5 2HD PRO 5 -4.516 -13.079 -5.631 45 HD3 PRO 5 1HD PRO 5 -4.424 -13.828 -4.025 46 H ASP 6 HN ASP 6 -2.059 -12.049 -6.551 47 HA ASP 6 HA ASP 6 0.401 -11.722 -7.798 48 HB2 ASP 6 2HB ASP 6 -1.964 -11.407 -8.728 49 HB3 ASP 6 1HB ASP 6 -1.893 -9.795 -8.040 50 H ILE 7 HN ILE 7 -1.444 -9.426 -5.817 51 HA ILE 7 HA ILE 7 0.516 -7.373 -5.855 52 HB ILE 7 HB ILE 7 -1.822 -7.891 -4.018 53 HG12 ILE 7 2HG1 ILE 7 -2.431 -7.334 -6.305 54 HG13 ILE 7 1HG1 ILE 7 -2.827 -5.993 -5.239 55 HG21 ILE 7 1HG2 ILE 7 -0.036 -5.473 -4.100 56 HG22 ILE 7 2HG2 ILE 7 -0.166 -6.632 -2.777 57 HG23 ILE 7 3HG2 ILE 7 -1.539 -5.604 -3.191 58 HD11 ILE 7 3HD1 ILE 7 -1.883 -5.191 -7.312 59 HD12 ILE 7 1HD1 ILE 7 -0.439 -6.169 -7.062 60 HD13 ILE 7 2HD1 ILE 7 -0.797 -4.829 -5.971 61 H LEU 8 HN LEU 8 -0.300 -9.911 -3.521 62 HA LEU 8 HA LEU 8 1.447 -9.174 -1.478 63 HB2 LEU 8 2HB LEU 8 0.450 -11.898 -2.292 64 HB3 LEU 8 1HB LEU 8 1.347 -11.593 -0.816 65 HG LEU 8 HG LEU 8 -1.332 -10.385 -1.513 66 HD11 LEU 8 1HD1 LEU 8 -0.580 -12.547 0.451 67 HD12 LEU 8 2HD1 LEU 8 -1.511 -12.761 -1.031 68 HD13 LEU 8 3HD1 LEU 8 -2.176 -11.813 0.299 69 HD21 LEU 8 3HD2 LEU 8 -1.310 -9.558 0.786 70 HD22 LEU 8 1HD2 LEU 8 0.045 -8.904 -0.133 71 HD23 LEU 8 2HD2 LEU 8 0.309 -10.215 1.016 72 H ASP 9 HN ASP 9 2.034 -11.254 -4.288 73 HA ASP 9 HA ASP 9 4.681 -11.964 -3.522 74 HB2 ASP 9 2HB ASP 9 3.220 -13.189 -5.189 75 HB3 ASP 9 1HB ASP 9 3.600 -11.915 -6.339 76 H GLN 10 HN GLN 10 3.324 -9.438 -5.570 77 HA GLN 10 HA GLN 10 5.741 -8.324 -6.442 78 HB2 GLN 10 2HB GLN 10 3.047 -7.061 -5.959 79 HB3 GLN 10 1HB GLN 10 4.400 -6.197 -6.676 80 HG2 GLN 10 2HG GLN 10 4.462 -7.897 -8.478 81 HG3 GLN 10 1HG GLN 10 3.016 -8.626 -7.783 82 HE21 GLN 10 1HE2 GLN 10 1.065 -7.583 -7.963 83 HE22 GLN 10 2HE2 GLN 10 0.805 -6.254 -9.042 84 H ILE 11 HN ILE 11 3.895 -7.815 -3.463 85 HA ILE 11 HA ILE 11 5.364 -5.604 -2.507 86 HB ILE 11 HB ILE 11 3.894 -7.716 -0.911 87 HG12 ILE 11 2HG1 ILE 11 3.028 -4.961 -1.818 88 HG13 ILE 11 1HG1 ILE 11 2.482 -6.479 -2.522 89 HG21 ILE 11 1HG2 ILE 11 4.903 -4.992 -0.097 90 HG22 ILE 11 2HG2 ILE 11 5.488 -6.550 0.491 91 HG23 ILE 11 3HG2 ILE 11 3.852 -6.017 0.882 92 HD11 ILE 11 3HD1 ILE 11 1.977 -5.518 0.280 93 HD12 ILE 11 1HD1 ILE 11 1.508 -7.100 -0.344 94 HD13 ILE 11 2HD1 ILE 11 0.804 -5.637 -1.031 95 H ARG 12 HN ARG 12 5.722 -9.089 -1.843 96 HA ARG 12 HA ARG 12 7.897 -8.790 -0.076 97 HB2 ARG 12 2HB ARG 12 8.294 -11.221 -0.490 98 HB3 ARG 12 1HB ARG 12 6.641 -10.829 -0.035 99 HG2 ARG 12 2HG ARG 12 6.001 -10.930 -2.414 100 HG3 ARG 12 1HG ARG 12 7.648 -11.420 -2.808 101 HD2 ARG 12 2HD ARG 12 5.779 -12.915 -0.977 102 HD3 ARG 12 1HD ARG 12 6.082 -13.320 -2.665 103 HE ARG 12 HE ARG 12 8.119 -13.435 -0.540 104 HH11 ARG 12 1HH1 ARG 12 6.794 -14.518 -3.602 105 HH12 ARG 12 2HH1 ARG 12 7.914 -15.847 -3.744 106 HH21 ARG 12 1HH2 ARG 12 9.583 -15.180 -0.738 107 HH22 ARG 12 2HH2 ARG 12 9.484 -16.231 -2.117 108 H VAL 13 HN VAL 13 7.762 -9.252 -3.587 109 HA VAL 13 HA VAL 13 10.581 -9.399 -3.934 110 HB VAL 13 HB VAL 13 8.439 -8.573 -5.912 111 HG11 VAL 13 1HG1 VAL 13 10.132 -9.052 -7.639 112 HG12 VAL 13 2HG1 VAL 13 11.333 -9.300 -6.371 113 HG13 VAL 13 3HG1 VAL 13 10.608 -7.710 -6.597 114 HG21 VAL 13 3HG2 VAL 13 8.684 -10.849 -6.774 115 HG22 VAL 13 1HG2 VAL 13 8.191 -10.861 -5.081 116 HG23 VAL 13 2HG2 VAL 13 9.867 -11.203 -5.515 117 H HIS 14 HN HIS 14 8.236 -6.764 -3.996 118 HA HIS 14 HA HIS 14 9.925 -4.669 -4.737 119 HB2 HIS 14 2HB HIS 14 7.468 -4.467 -4.566 120 HB3 HIS 14 1HB HIS 14 7.582 -4.592 -2.818 121 HD1 HIS 14 1HD HIS 14 8.113 -2.218 -5.656 122 HD2 HIS 14 2HD HIS 14 8.409 -2.249 -1.503 123 HE1 HIS 14 1HE HIS 14 8.354 0.194 -4.971 124 HE2 HIS 14 2HE HIS 14 8.319 0.154 -2.451 125 H GLY 15 HN GLY 15 9.405 -6.205 -1.610 126 HA2 GLY 15 2HA GLY 15 10.823 -4.392 0.004 127 HA3 GLY 15 1HA GLY 15 10.602 -6.104 0.347 128 H ALA 16 HN ALA 16 11.952 -7.330 -1.653 129 HA ALA 16 HA ALA 16 14.659 -6.990 -0.818 130 HB1 ALA 16 1HB ALA 16 13.715 -9.187 -1.383 131 HB2 ALA 16 2HB ALA 16 15.157 -8.823 -2.330 132 HB3 ALA 16 3HB ALA 16 13.562 -8.677 -3.064 133 H ASP 17 HN ASP 17 12.764 -5.858 -3.458 134 HA ASP 17 HA ASP 17 14.902 -5.211 -5.238 135 HB2 ASP 17 2HB ASP 17 12.554 -5.626 -5.935 136 HB3 ASP 17 1HB ASP 17 12.079 -4.144 -5.133 137 H ALA 18 HN ALA 18 13.036 -3.476 -2.844 138 HA ALA 18 HA ALA 18 14.236 -0.931 -3.484 139 HB1 ALA 18 1HB ALA 18 12.448 -1.678 -1.174 140 HB2 ALA 18 2HB ALA 18 11.904 -1.085 -2.744 141 HB3 ALA 18 3HB ALA 18 12.864 -0.044 -1.693 142 H TYR 19 HN TYR 19 14.688 -3.449 -1.084 143 HA TYR 19 HA TYR 19 16.179 -1.830 0.724 144 HB2 TYR 19 2HB TYR 19 15.505 -4.712 0.521 145 HB3 TYR 19 1HB TYR 19 16.939 -4.295 1.462 146 HD1 TYR 19 1HD TYR 19 13.403 -3.128 1.059 147 HD2 TYR 19 2HD TYR 19 16.638 -3.897 3.713 148 HE1 TYR 19 1HE TYR 19 11.986 -2.487 2.961 149 HE2 TYR 19 2HE TYR 19 15.227 -3.257 5.622 150 HH TYR 19 HH TYR 19 13.217 -1.865 6.037 151 HA PRO 20 HA PRO 20 18.161 -3.110 2.307 152 HB2 PRO 20 2HB PRO 20 20.342 -1.161 2.513 153 HB3 PRO 20 1HB PRO 20 20.241 -2.804 3.149 154 HG2 PRO 20 2HG PRO 20 21.858 -2.171 1.098 155 HG3 PRO 20 1HG PRO 20 21.052 -3.748 1.211 156 HD2 PRO 20 2HD PRO 20 20.313 -1.356 -0.439 157 HD3 PRO 20 1HD PRO 20 20.322 -3.075 -0.890 158 H GLU 21 HN GLU 21 17.737 -0.398 0.323 159 HA GLU 21 HA GLU 21 17.191 1.538 2.361 160 HB2 GLU 21 2HB GLU 21 16.118 1.500 -0.459 161 HB3 GLU 21 1HB GLU 21 16.293 2.896 0.591 162 HG2 GLU 21 2HG GLU 21 18.695 2.744 0.460 163 HG3 GLU 21 1HG GLU 21 18.571 1.270 -0.501 164 H GLU 22 HN GLU 22 15.290 1.920 3.432 165 HA GLU 22 HA GLU 22 13.224 -0.061 3.252 166 HB2 GLU 22 2HB GLU 22 13.113 2.564 4.753 167 HB3 GLU 22 1HB GLU 22 12.109 1.148 5.021 168 HG2 GLU 22 2HG GLU 22 13.567 0.802 6.700 169 HG3 GLU 22 1HG GLU 22 14.513 0.047 5.416 170 H GLY 23 HN GLY 23 12.461 0.074 1.155 171 HA2 GLY 23 2HA GLY 23 11.411 2.481 0.042 172 HA3 GLY 23 1HA GLY 23 11.169 0.854 -0.583 173 H CYS 24 HN CYS 24 9.715 3.470 0.882 174 HA CYS 24 HA CYS 24 7.541 1.895 2.045 175 HB2 CYS 24 2HB CYS 24 6.799 4.144 2.919 176 HB3 CYS 24 1HB CYS 24 8.362 3.595 3.514 177 HG CYS 24 HG CYS 24 9.145 6.060 3.151 178 H GLY 25 HN GLY 25 5.316 3.191 1.736 179 HA2 GLY 25 2HA GLY 25 4.816 4.701 -0.535 180 HA3 GLY 25 1HA GLY 25 4.709 3.023 -1.044 181 H PHE 26 HN PHE 26 2.506 3.352 -1.539 182 HA PHE 26 HA PHE 26 0.733 3.341 0.797 183 HB2 PHE 26 2HB PHE 26 0.408 5.074 -1.663 184 HB3 PHE 26 1HB PHE 26 -0.883 4.775 -0.508 185 HD1 PHE 26 2HD PHE 26 2.320 6.465 -1.071 186 HD2 PHE 26 1HD PHE 26 -0.874 5.808 1.662 187 HE1 PHE 26 2HE PHE 26 3.103 8.359 0.292 188 HE2 PHE 26 1HE PHE 26 -0.100 7.702 3.028 189 HZ PHE 26 HZ PHE 26 1.892 8.979 2.345 190 H LEU 27 HN LEU 27 -1.490 2.577 0.180 191 HA LEU 27 HA LEU 27 -1.291 0.532 -1.933 192 HB2 LEU 27 2HB LEU 27 -2.934 0.471 0.599 193 HB3 LEU 27 1HB LEU 27 -2.888 -0.789 -0.619 194 HG LEU 27 HG LEU 27 -0.530 0.059 1.069 195 HD11 LEU 27 1HD1 LEU 27 -0.848 -2.071 2.217 196 HD12 LEU 27 2HD1 LEU 27 -2.307 -2.364 1.273 197 HD13 LEU 27 3HD1 LEU 27 -2.251 -1.018 2.410 198 HD21 LEU 27 3HD2 LEU 27 0.104 -0.828 -1.124 199 HD22 LEU 27 1HD2 LEU 27 -0.880 -2.260 -0.829 200 HD23 LEU 27 2HD2 LEU 27 0.537 -1.944 0.172 201 H LEU 28 HN LEU 28 -2.833 0.475 -3.473 202 HA LEU 28 HA LEU 28 -5.069 2.387 -3.217 203 HB2 LEU 28 2HB LEU 28 -3.717 1.439 -5.748 204 HB3 LEU 28 1HB LEU 28 -5.002 2.626 -5.643 205 HG LEU 28 HG LEU 28 -2.208 2.967 -4.550 206 HD11 LEU 28 1HD1 LEU 28 -2.247 3.000 -6.978 207 HD12 LEU 28 2HD1 LEU 28 -1.950 4.618 -6.338 208 HD13 LEU 28 3HD1 LEU 28 -3.547 4.192 -6.958 209 HD21 LEU 28 3HD2 LEU 28 -4.516 4.902 -4.686 210 HD22 LEU 28 1HD2 LEU 28 -2.873 5.286 -4.165 211 HD23 LEU 28 2HD2 LEU 28 -3.857 4.165 -3.225 212 H GLY 29 HN GLY 29 -7.133 1.690 -3.864 213 HA2 GLY 29 2HA GLY 29 -7.695 -0.670 -5.247 214 HA3 GLY 29 1HA GLY 29 -7.616 -1.091 -3.545 215 H THR 30 HN THR 30 -9.803 -1.657 -3.509 216 HA THR 30 HA THR 30 -11.662 0.609 -3.779 217 HB THR 30 HB THR 30 -13.300 -1.546 -3.986 218 HG1 THR 30 1HG THR 30 -11.100 -2.252 -5.635 219 HG21 THR 30 3HG2 THR 30 -13.377 -1.062 -6.386 220 HG22 THR 30 1HG2 THR 30 -11.862 -0.166 -6.257 221 HG23 THR 30 2HG2 THR 30 -13.308 0.423 -5.436 222 H VAL 31 HN VAL 31 -13.263 0.853 -2.251 223 HA VAL 31 HA VAL 31 -12.722 -0.498 0.288 224 HB VAL 31 HB VAL 31 -14.561 1.839 -0.192 225 HG11 VAL 31 1HG1 VAL 31 -14.285 2.216 2.225 226 HG12 VAL 31 2HG1 VAL 31 -13.317 0.745 2.324 227 HG13 VAL 31 3HG1 VAL 31 -15.016 0.652 1.864 228 HG21 VAL 31 3HG2 VAL 31 -12.749 3.272 0.634 229 HG22 VAL 31 1HG2 VAL 31 -12.309 2.459 -0.869 230 HG23 VAL 31 2HG2 VAL 31 -11.673 1.876 0.670 231 H THR 32 HN THR 32 -13.798 -2.281 0.562 232 HA THR 32 HA THR 32 -16.239 -2.971 -0.653 233 HB THR 32 HB THR 32 -15.431 -4.228 1.928 234 HG1 THR 32 1HG THR 32 -13.954 -5.286 -0.065 235 HG21 THR 32 3HG2 THR 32 -16.186 -5.329 -0.779 236 HG22 THR 32 1HG2 THR 32 -17.274 -5.137 0.597 237 HG23 THR 32 2HG2 THR 32 -15.929 -6.277 0.688 238 H ASP 33 HN ASP 33 -18.338 -2.798 0.070 239 HA ASP 33 HA ASP 33 -18.965 -0.660 1.785 240 HB2 ASP 33 2HB ASP 33 -20.412 -1.559 -0.053 241 HB3 ASP 33 1HB ASP 33 -20.804 -2.925 0.985 242 H ASP 34 HN ASP 34 -18.370 -3.983 2.428 243 HA ASP 34 HA ASP 34 -19.649 -4.142 4.980 244 HB2 ASP 34 2HB ASP 34 -17.350 -5.820 3.943 245 HB3 ASP 34 1HB ASP 34 -18.438 -6.225 5.264 246 H GLY 35 HN GLY 35 -16.781 -2.657 3.890 247 HA2 GLY 35 2HA GLY 35 -15.208 -1.483 5.175 248 HA3 GLY 35 1HA GLY 35 -15.824 -2.278 6.621 249 H ASP 36 HN ASP 36 -15.089 -4.088 3.789 250 HA ASP 36 HA ASP 36 -13.246 -5.737 5.246 251 HB2 ASP 36 2HB ASP 36 -14.802 -6.838 3.812 252 HB3 ASP 36 1HB ASP 36 -14.353 -5.834 2.441 253 H ASN 37 HN ASN 37 -13.062 -3.772 2.319 254 HA ASN 37 HA ASN 37 -11.426 -2.413 1.492 255 HB2 ASN 37 2HB ASN 37 -10.682 -1.966 3.805 256 HB3 ASN 37 1HB ASN 37 -9.706 -3.425 3.768 257 HD21 ASN 37 1HD2 ASN 37 -10.008 -0.158 2.695 258 HD22 ASN 37 2HD2 ASN 37 -8.407 0.002 2.074 259 H ARG 38 HN ARG 38 -10.787 -3.076 -0.403 260 HA ARG 38 HA ARG 38 -9.217 -5.561 -0.598 261 HB2 ARG 38 2HB ARG 38 -11.497 -5.665 -1.608 262 HB3 ARG 38 1HB ARG 38 -11.041 -4.358 -2.690 263 HG2 ARG 38 2HG ARG 38 -9.283 -5.770 -3.644 264 HG3 ARG 38 1HG ARG 38 -9.768 -7.085 -2.573 265 HD2 ARG 38 2HD ARG 38 -10.752 -7.460 -4.730 266 HD3 ARG 38 1HD ARG 38 -12.031 -7.013 -3.604 267 HE ARG 38 HE ARG 38 -11.446 -4.645 -4.696 268 HH11 ARG 38 1HH1 ARG 38 -12.013 -7.783 -6.154 269 HH12 ARG 38 2HH1 ARG 38 -12.640 -7.126 -7.640 270 HH21 ARG 38 1HH2 ARG 38 -12.255 -3.774 -6.652 271 HH22 ARG 38 2HH2 ARG 38 -12.765 -4.842 -7.931 272 H VAL 39 HN VAL 39 -7.136 -5.040 -0.895 273 HA VAL 39 HA VAL 39 -6.391 -2.641 -2.365 274 HB VAL 39 HB VAL 39 -4.642 -4.745 -1.067 275 HG11 VAL 39 1HG1 VAL 39 -2.837 -3.091 -1.305 276 HG12 VAL 39 2HG1 VAL 39 -3.934 -2.040 -2.203 277 HG13 VAL 39 3HG1 VAL 39 -3.473 -3.608 -2.868 278 HG21 VAL 39 3HG2 VAL 39 -5.969 -3.541 0.571 279 HG22 VAL 39 1HG2 VAL 39 -5.460 -2.001 -0.118 280 HG23 VAL 39 2HG2 VAL 39 -4.281 -3.044 0.675 281 H ALA 40 HN ALA 40 -5.909 -2.619 -4.472 282 HA ALA 40 HA ALA 40 -5.442 -5.210 -5.798 283 HB1 ALA 40 1HB ALA 40 -7.743 -4.475 -6.159 284 HB2 ALA 40 2HB ALA 40 -6.819 -4.492 -7.662 285 HB3 ALA 40 3HB ALA 40 -7.150 -2.963 -6.848 286 H ALA 41 HN ALA 41 -4.203 -2.159 -5.221 287 HA ALA 41 HA ALA 41 -2.325 -2.472 -7.429 288 HB1 ALA 41 1HB ALA 41 -2.509 -0.131 -8.096 289 HB2 ALA 41 2HB ALA 41 -3.817 0.103 -6.937 290 HB3 ALA 41 3HB ALA 41 -4.041 -0.978 -8.312 291 H LEU 42 HN LEU 42 -0.301 -1.684 -7.022 292 HA LEU 42 HA LEU 42 0.208 -0.832 -4.264 293 HB2 LEU 42 2HB LEU 42 2.018 -2.018 -6.367 294 HB3 LEU 42 1HB LEU 42 2.586 -1.440 -4.813 295 HG LEU 42 HG LEU 42 0.614 -3.692 -5.204 296 HD11 LEU 42 1HD1 LEU 42 2.466 -5.132 -4.480 297 HD12 LEU 42 2HD1 LEU 42 3.547 -3.738 -4.493 298 HD13 LEU 42 3HD1 LEU 42 2.826 -4.310 -5.998 299 HD21 LEU 42 3HD2 LEU 42 0.987 -4.096 -2.825 300 HD22 LEU 42 1HD2 LEU 42 0.300 -2.498 -3.109 301 HD23 LEU 42 2HD2 LEU 42 2.016 -2.665 -2.742 302 H HIS 43 HN HIS 43 1.669 0.891 -3.841 303 HA HIS 43 HA HIS 43 2.367 2.564 -6.146 304 HB2 HIS 43 2HB HIS 43 0.485 3.710 -5.292 305 HB3 HIS 43 1HB HIS 43 0.954 3.415 -3.624 306 HD1 HIS 43 1HD HIS 43 1.851 5.396 -2.499 307 HD2 HIS 43 2HD HIS 43 2.533 5.550 -6.593 308 HE1 HIS 43 1HE HIS 43 2.981 7.594 -2.905 309 HE2 HIS 43 2HE HIS 43 3.579 7.575 -5.345 310 H ARG 44 HN ARG 44 4.459 2.733 -6.225 311 HA ARG 44 HA ARG 44 6.137 2.491 -3.878 312 HB2 ARG 44 2HB ARG 44 7.998 2.849 -5.499 313 HB3 ARG 44 1HB ARG 44 6.945 1.511 -5.939 314 HG2 ARG 44 2HG ARG 44 5.810 2.939 -7.566 315 HG3 ARG 44 1HG ARG 44 6.870 4.279 -7.126 316 HD2 ARG 44 2HD ARG 44 8.792 3.113 -7.954 317 HD3 ARG 44 1HD ARG 44 7.856 1.639 -8.199 318 HE ARG 44 HE ARG 44 6.554 3.374 -9.767 319 HH11 ARG 44 1HH1 ARG 44 9.980 2.661 -9.470 320 HH12 ARG 44 2HH1 ARG 44 10.321 3.031 -11.140 321 HH21 ARG 44 1HH2 ARG 44 6.991 3.852 -11.928 322 HH22 ARG 44 2HH2 ARG 44 8.618 3.716 -12.538 323 H ALA 45 HN ALA 45 7.175 4.129 -2.828 324 HA ALA 45 HA ALA 45 6.134 6.721 -2.914 325 HB1 ALA 45 1HB ALA 45 8.819 5.842 -1.848 326 HB2 ALA 45 2HB ALA 45 7.294 5.789 -0.964 327 HB3 ALA 45 3HB ALA 45 7.978 7.340 -1.452 328 H THR 46 HN THR 46 6.226 7.998 -4.635 329 HA THR 46 HA THR 46 8.522 7.989 -6.404 330 HB THR 46 HB THR 46 6.123 9.833 -6.479 331 HG1 THR 46 1HG THR 46 6.108 7.206 -6.680 332 HG21 THR 46 3HG2 THR 46 6.608 9.942 -8.876 333 HG22 THR 46 1HG2 THR 46 7.971 8.847 -8.663 334 HG23 THR 46 2HG2 THR 46 8.011 10.454 -7.940 335 H ASN 47 HN ASN 47 7.743 9.280 -3.536 336 HA ASN 47 HA ASN 47 8.709 10.709 -2.128 337 HB2 ASN 47 2HB ASN 47 10.770 10.475 -4.258 338 HB3 ASN 47 1HB ASN 47 10.954 11.728 -3.041 339 HD21 ASN 47 1HD2 ASN 47 10.846 8.300 -3.625 340 HD22 ASN 47 2HD2 ASN 47 11.489 7.819 -2.089 341 H ARG 48 HN ARG 48 10.277 13.057 -2.856 342 HA ARG 48 HA ARG 48 7.919 14.726 -2.959 343 HB2 ARG 48 2HB ARG 48 10.791 15.289 -2.227 344 HB3 ARG 48 1HB ARG 48 9.553 16.535 -2.282 345 HG2 ARG 48 2HG ARG 48 9.809 15.860 -0.018 346 HG3 ARG 48 1HG ARG 48 8.261 15.241 -0.588 347 HD2 ARG 48 2HD ARG 48 9.410 13.045 -1.018 348 HD3 ARG 48 1HD ARG 48 10.828 13.706 -0.203 349 HE ARG 48 HE ARG 48 9.042 14.086 1.686 350 HH11 ARG 48 1HH1 ARG 48 9.539 11.251 -0.323 351 HH12 ARG 48 2HH1 ARG 48 8.777 10.166 0.799 352 HH21 ARG 48 1HH2 ARG 48 8.080 12.675 3.154 353 HH22 ARG 48 2HH2 ARG 48 7.934 10.979 2.785 354 H ARG 49 HN ARG 49 7.373 14.700 -5.124 355 HA ARG 49 HA ARG 49 8.987 16.558 -6.712 356 HB2 ARG 49 2HB ARG 49 9.505 14.420 -7.685 357 HB3 ARG 49 1HB ARG 49 7.809 13.956 -7.696 358 HG2 ARG 49 2HG ARG 49 7.329 15.676 -9.351 359 HG3 ARG 49 1HG ARG 49 9.018 16.181 -9.327 360 HD2 ARG 49 2HD ARG 49 8.113 13.404 -10.059 361 HD3 ARG 49 1HD ARG 49 8.363 14.691 -11.238 362 HE ARG 49 HE ARG 49 10.674 14.399 -9.637 363 HH11 ARG 49 1HH1 ARG 49 8.897 12.800 -12.197 364 HH12 ARG 49 2HH1 ARG 49 10.296 12.022 -12.870 365 HH21 ARG 49 1HH2 ARG 49 12.518 13.365 -10.503 366 HH22 ARG 49 2HH2 ARG 49 12.357 12.310 -11.875 367 H SER 50 HN SER 50 7.745 18.291 -6.822 368 HA SER 50 HA SER 50 5.176 18.125 -8.078 369 HB2 SER 50 2HB SER 50 4.575 17.610 -5.735 370 HB3 SER 50 1HB SER 50 5.335 19.113 -5.215 371 HG SER 50 HG SER 50 3.491 19.436 -7.227 372 H GLU 51 HN GLU 51 5.101 19.818 -9.395 373 HA GLU 51 HA GLU 51 6.811 22.058 -9.194 374 HB2 GLU 51 2HB GLU 51 5.510 23.032 -11.004 375 HB3 GLU 51 1HB GLU 51 5.798 21.332 -11.333 376 HG2 GLU 51 2HG GLU 51 3.229 22.547 -10.328 377 HG3 GLU 51 1HG GLU 51 3.546 21.961 -11.959 378 H GLN 52 HN GLN 52 3.438 21.504 -8.359 379 HA GLN 52 HA GLN 52 2.148 22.302 -6.683 380 HB2 GLN 52 2HB GLN 52 4.337 22.048 -5.416 381 HB3 GLN 52 1HB GLN 52 4.572 23.771 -5.654 382 HG2 GLN 52 2HG GLN 52 2.622 24.282 -4.372 383 HG3 GLN 52 1HG GLN 52 2.187 22.577 -4.270 384 HE21 GLN 52 1HE2 GLN 52 4.947 21.715 -3.816 385 HE22 GLN 52 2HE2 GLN 52 5.322 22.161 -2.184 386 H ARG 53 HN ARG 53 1.173 24.338 -5.829 387 HA ARG 53 HA ARG 53 0.298 26.412 -6.094 388 HB2 ARG 53 2HB ARG 53 3.009 26.909 -7.309 389 HB3 ARG 53 1HB ARG 53 1.808 28.179 -7.119 390 HG2 ARG 53 2HG ARG 53 2.912 26.518 -4.861 391 HG3 ARG 53 1HG ARG 53 3.486 28.128 -5.305 392 HD2 ARG 53 2HD ARG 53 1.307 29.070 -4.844 393 HD3 ARG 53 1HD ARG 53 0.653 27.466 -4.515 394 HE ARG 53 HE ARG 53 1.933 27.394 -2.502 395 HH11 ARG 53 1HH1 ARG 53 2.008 30.486 -4.147 396 HH12 ARG 53 2HH1 ARG 53 2.459 31.375 -2.729 397 HH21 ARG 53 1HH2 ARG 53 2.505 28.573 -0.623 398 HH22 ARG 53 2HH2 ARG 53 2.685 30.301 -0.712 399 H THR 54 HN THR 54 -0.326 24.420 -7.954 400 HA THR 54 HA THR 54 -0.880 25.992 -10.375 401 HB THR 54 HB THR 54 0.179 23.835 -10.824 402 HG1 THR 54 1HG THR 54 -2.323 24.492 -11.716 403 HG21 THR 54 3HG2 THR 54 -2.175 22.603 -9.392 404 HG22 THR 54 1HG2 THR 54 -0.510 22.643 -8.808 405 HG23 THR 54 2HG2 THR 54 -0.916 21.721 -10.255 406 H ARG 55 HN ARG 55 -2.060 26.058 -7.643 407 HA ARG 55 HA ARG 55 -3.990 26.262 -6.545 408 HB2 ARG 55 2HB ARG 55 -4.552 27.727 -8.489 409 HB3 ARG 55 1HB ARG 55 -5.370 26.349 -9.223 410 HG2 ARG 55 2HG ARG 55 -6.924 26.223 -7.405 411 HG3 ARG 55 1HG ARG 55 -6.046 27.466 -6.515 412 HD2 ARG 55 2HD ARG 55 -6.599 29.095 -8.262 413 HD3 ARG 55 1HD ARG 55 -7.489 27.845 -9.136 414 HE ARG 55 HE ARG 55 -8.416 28.087 -6.459 415 HH11 ARG 55 1HH1 ARG 55 -8.582 29.707 -9.569 416 HH12 ARG 55 2HH1 ARG 55 -10.174 30.340 -9.275 417 HH21 ARG 55 1HH2 ARG 55 -10.449 28.932 -6.063 418 HH22 ARG 55 2HH2 ARG 55 -11.239 29.919 -7.264 419 H ARG 56 HN ARG 56 -3.622 24.173 -5.788 420 HA ARG 56 HA ARG 56 -5.976 22.713 -5.595 421 HB2 ARG 56 2HB ARG 56 -5.410 20.572 -6.587 422 HB3 ARG 56 1HB ARG 56 -5.363 21.807 -7.834 423 HG2 ARG 56 2HG ARG 56 -2.980 21.812 -7.849 424 HG3 ARG 56 1HG ARG 56 -2.917 20.786 -6.412 425 HD2 ARG 56 2HD ARG 56 -4.094 19.972 -9.071 426 HD3 ARG 56 1HD ARG 56 -2.474 19.554 -8.515 427 HE ARG 56 HE ARG 56 -4.473 18.751 -6.643 428 HH11 ARG 56 1HH1 ARG 56 -3.010 17.862 -9.709 429 HH12 ARG 56 2HH1 ARG 56 -3.318 16.164 -9.498 430 HH21 ARG 56 1HH2 ARG 56 -4.860 16.510 -6.372 431 HH22 ARG 56 2HH2 ARG 56 -4.374 15.397 -7.620 432 H TYR 57 HN TYR 57 -5.170 20.348 -4.536 433 HA TYR 57 HA TYR 57 -3.887 21.182 -2.173 434 HB2 TYR 57 2HB TYR 57 -4.745 18.529 -3.237 435 HB3 TYR 57 1HB TYR 57 -3.692 18.588 -1.824 436 HD1 TYR 57 1HD TYR 57 -4.451 20.040 0.146 437 HD2 TYR 57 2HD TYR 57 -7.066 18.818 -2.982 438 HE1 TYR 57 1HE TYR 57 -6.381 20.487 1.598 439 HE2 TYR 57 2HE TYR 57 -9.006 19.267 -1.537 440 HH TYR 57 HH TYR 57 -9.496 19.401 0.909 441 H GLU 58 HN GLU 58 -1.930 20.581 -1.280 442 HA GLU 58 HA GLU 58 0.242 20.809 -3.167 443 HB2 GLU 58 2HB GLU 58 0.328 20.630 -0.148 444 HB3 GLU 58 1HB GLU 58 1.572 21.280 -1.208 445 HG2 GLU 58 2HG GLU 58 0.277 23.178 -1.734 446 HG3 GLU 58 1HG GLU 58 -1.179 22.464 -1.042 447 H LEU 59 HN LEU 59 2.299 19.482 -1.838 448 HA LEU 59 HA LEU 59 2.024 16.800 -2.642 449 HB2 LEU 59 2HB LEU 59 4.192 17.960 -2.341 450 HB3 LEU 59 1HB LEU 59 3.931 17.976 -0.608 451 HG LEU 59 HG LEU 59 3.952 15.477 -0.642 452 HD11 LEU 59 1HD1 LEU 59 3.324 15.133 -2.963 453 HD12 LEU 59 2HD1 LEU 59 4.866 14.350 -2.609 454 HD13 LEU 59 3HD1 LEU 59 4.834 15.875 -3.497 455 HD21 LEU 59 3HD2 LEU 59 6.415 16.842 -1.725 456 HD22 LEU 59 1HD2 LEU 59 6.374 15.286 -0.893 457 HD23 LEU 59 2HD2 LEU 59 5.934 16.759 -0.030 458 H THR 60 HN THR 60 1.856 18.350 0.519 459 HA THR 60 HA THR 60 0.673 17.910 2.388 460 HB THR 60 HB THR 60 -1.022 16.021 0.768 461 HG1 THR 60 1HG THR 60 -1.102 17.788 -0.492 462 HG21 THR 60 3HG2 THR 60 -1.515 16.129 3.161 463 HG22 THR 60 1HG2 THR 60 -2.809 16.880 2.229 464 HG23 THR 60 2HG2 THR 60 -1.631 17.886 3.068 465 H ALA 61 HN ALA 61 2.629 16.807 3.131 466 HA ALA 61 HA ALA 61 3.585 15.224 4.428 467 HB1 ALA 61 1HB ALA 61 0.796 14.098 4.595 468 HB2 ALA 61 2HB ALA 61 1.461 15.367 5.624 469 HB3 ALA 61 3HB ALA 61 2.135 13.740 5.687 470 H ASP 62 HN ASP 62 4.958 14.255 3.056 471 HA ASP 62 HA ASP 62 5.991 12.499 2.060 472 HB2 ASP 62 2HB ASP 62 4.560 11.227 3.874 473 HB3 ASP 62 1HB ASP 62 3.631 10.692 2.479 474 H ASP 63 HN ASP 63 4.818 10.409 0.446 475 HA ASP 63 HA ASP 63 4.295 12.093 -1.868 476 HB2 ASP 63 2HB ASP 63 5.996 10.348 -2.066 477 HB3 ASP 63 1HB ASP 63 4.798 9.116 -1.686 478 H TYR 64 HN TYR 64 2.146 12.502 -0.604 479 HA TYR 64 HA TYR 64 0.072 10.601 -1.035 480 HB2 TYR 64 2HB TYR 64 -0.254 12.333 0.636 481 HB3 TYR 64 1HB TYR 64 -0.082 13.593 -0.585 482 HD1 TYR 64 1HD TYR 64 -2.219 10.712 0.399 483 HD2 TYR 64 2HD TYR 64 -1.966 14.370 -1.757 484 HE1 TYR 64 1HE TYR 64 -4.636 10.609 -0.046 485 HE2 TYR 64 2HE TYR 64 -4.384 14.281 -2.205 486 HH TYR 64 HH TYR 64 -6.159 12.432 -2.373 487 H ARG 65 HN ARG 65 1.385 13.270 -2.897 488 HA ARG 65 HA ARG 65 -0.721 13.649 -4.667 489 HB2 ARG 65 2HB ARG 65 2.136 14.368 -4.634 490 HB3 ARG 65 1HB ARG 65 1.360 14.371 -6.213 491 HG2 ARG 65 2HG ARG 65 -0.437 15.811 -5.196 492 HG3 ARG 65 1HG ARG 65 0.614 15.970 -3.787 493 HD2 ARG 65 2HD ARG 65 2.277 17.074 -5.018 494 HD3 ARG 65 1HD ARG 65 1.574 16.589 -6.560 495 HE ARG 65 HE ARG 65 0.139 18.429 -4.767 496 HH11 ARG 65 1HH1 ARG 65 1.596 17.675 -7.853 497 HH12 ARG 65 2HH1 ARG 65 1.010 19.105 -8.640 498 HH21 ARG 65 1HH2 ARG 65 -0.670 20.310 -5.791 499 HH22 ARG 65 2HH2 ARG 65 -0.288 20.606 -7.459 500 H ALA 66 HN ALA 66 2.148 11.552 -5.115 501 HA ALA 66 HA ALA 66 1.294 10.755 -7.719 502 HB1 ALA 66 1HB ALA 66 3.263 9.412 -5.869 503 HB2 ALA 66 2HB ALA 66 3.643 10.642 -7.076 504 HB3 ALA 66 3HB ALA 66 3.049 9.060 -7.582 505 H ALA 67 HN ALA 67 0.664 9.631 -4.499 506 HA ALA 67 HA ALA 67 -0.494 7.133 -5.220 507 HB1 ALA 67 1HB ALA 67 0.249 7.581 -2.943 508 HB2 ALA 67 2HB ALA 67 -1.467 7.171 -2.967 509 HB3 ALA 67 3HB ALA 67 -0.963 8.851 -2.784 510 H ASP 68 HN ASP 68 -1.781 10.372 -4.643 511 HA ASP 68 HA ASP 68 -4.508 9.743 -5.013 512 HB2 ASP 68 2HB ASP 68 -3.660 11.827 -3.935 513 HB3 ASP 68 1HB ASP 68 -3.125 12.392 -5.513 514 H ALA 69 HN ALA 69 -2.043 11.007 -7.229 515 HA ALA 69 HA ALA 69 -3.674 11.392 -9.468 516 HB1 ALA 69 1HB ALA 69 -0.749 10.656 -9.417 517 HB2 ALA 69 2HB ALA 69 -1.400 12.290 -9.279 518 HB3 ALA 69 3HB ALA 69 -1.615 11.375 -10.772 519 H ALA 70 HN ALA 70 -1.626 8.568 -8.678 520 HA ALA 70 HA ALA 70 -2.419 7.063 -10.948 521 HB1 ALA 70 1HB ALA 70 -1.365 5.175 -9.837 522 HB2 ALA 70 2HB ALA 70 -1.317 6.069 -8.318 523 HB3 ALA 70 3HB ALA 70 -0.355 6.614 -9.694 524 H ALA 71 HN ALA 71 -3.712 7.369 -7.696 525 HA ALA 71 HA ALA 71 -5.549 5.237 -7.834 526 HB1 ALA 71 1HB ALA 71 -6.731 6.372 -6.025 527 HB2 ALA 71 2HB ALA 71 -5.778 7.833 -6.304 528 HB3 ALA 71 3HB ALA 71 -4.991 6.357 -5.734 529 H GLN 72 HN GLN 72 -5.907 8.705 -8.585 530 HA GLN 72 HA GLN 72 -8.579 8.571 -9.434 531 HB2 GLN 72 2HB GLN 72 -6.420 10.466 -10.379 532 HB3 GLN 72 1HB GLN 72 -8.149 10.694 -10.600 533 HG2 GLN 72 2HG GLN 72 -6.627 10.691 -8.006 534 HG3 GLN 72 1HG GLN 72 -7.410 12.062 -8.788 535 HE21 GLN 72 1HE2 GLN 72 -7.794 10.974 -6.116 536 HE22 GLN 72 2HE2 GLN 72 -9.471 10.550 -5.993 537 H GLU 73 HN GLU 73 -5.546 8.127 -11.187 538 HA GLU 73 HA GLU 73 -6.522 7.891 -13.772 539 HB2 GLU 73 2HB GLU 73 -4.211 6.545 -12.389 540 HB3 GLU 73 1HB GLU 73 -4.500 6.405 -14.106 541 HG2 GLU 73 2HG GLU 73 -4.299 8.852 -14.309 542 HG3 GLU 73 1HG GLU 73 -3.899 8.926 -12.592 543 H GLN 74 HN GLN 74 -6.234 5.476 -11.244 544 HA GLN 74 HA GLN 74 -7.229 3.376 -12.977 545 HB2 GLN 74 2HB GLN 74 -6.195 3.461 -10.160 546 HB3 GLN 74 1HB GLN 74 -6.865 2.000 -10.859 547 HG2 GLN 74 2HG GLN 74 -5.159 1.906 -12.510 548 HG3 GLN 74 1HG GLN 74 -4.590 3.522 -12.098 549 HE21 GLN 74 1HE2 GLN 74 -4.755 3.130 -9.245 550 HE22 GLN 74 2HE2 GLN 74 -3.463 2.074 -8.815 551 H GLY 75 HN GLY 75 -8.683 5.717 -11.132 552 HA2 GLY 75 2HA GLY 75 -10.905 5.979 -10.537 553 HA3 GLY 75 1HA GLY 75 -11.221 4.382 -11.200 554 H LEU 76 HN LEU 76 -8.815 5.041 -8.779 555 HA LEU 76 HA LEU 76 -10.420 3.625 -6.746 556 HB2 LEU 76 2HB LEU 76 -7.438 3.414 -7.196 557 HB3 LEU 76 1HB LEU 76 -8.360 2.581 -5.966 558 HG LEU 76 HG LEU 76 -8.630 2.130 -8.938 559 HD11 LEU 76 1HD1 LEU 76 -6.502 1.320 -8.083 560 HD12 LEU 76 2HD1 LEU 76 -7.569 -0.028 -8.476 561 HD13 LEU 76 3HD1 LEU 76 -7.336 0.450 -6.795 562 HD21 LEU 76 3HD2 LEU 76 -9.874 0.679 -6.602 563 HD22 LEU 76 1HD2 LEU 76 -10.015 0.218 -8.297 564 HD23 LEU 76 2HD2 LEU 76 -10.719 1.732 -7.734 565 H ASP 77 HN ASP 77 -9.070 3.965 -4.535 566 HA ASP 77 HA ASP 77 -7.809 6.594 -4.486 567 HB2 ASP 77 2HB ASP 77 -9.002 7.338 -2.556 568 HB3 ASP 77 1HB ASP 77 -10.197 6.849 -3.744 569 H VAL 78 HN VAL 78 -6.877 6.876 -2.130 570 HA VAL 78 HA VAL 78 -5.080 4.648 -1.804 571 HB VAL 78 HB VAL 78 -5.259 7.149 -0.103 572 HG11 VAL 78 1HG1 VAL 78 -3.949 5.371 0.896 573 HG12 VAL 78 2HG1 VAL 78 -2.900 6.691 0.377 574 HG13 VAL 78 3HG1 VAL 78 -3.000 5.213 -0.581 575 HG21 VAL 78 3HG2 VAL 78 -3.546 8.120 -1.540 576 HG22 VAL 78 1HG2 VAL 78 -5.003 7.754 -2.463 577 HG23 VAL 78 2HG2 VAL 78 -3.597 6.697 -2.580 578 H VAL 79 HN VAL 79 -5.984 2.916 -0.853 579 HA VAL 79 HA VAL 79 -7.884 3.314 1.323 580 HB VAL 79 HB VAL 79 -8.414 0.922 1.060 581 HG11 VAL 79 1HG1 VAL 79 -8.476 2.499 -1.511 582 HG12 VAL 79 2HG1 VAL 79 -9.663 2.580 -0.210 583 HG13 VAL 79 3HG1 VAL 79 -9.477 1.095 -1.141 584 HG21 VAL 79 3HG2 VAL 79 -6.229 0.124 0.314 585 HG22 VAL 79 1HG2 VAL 79 -6.412 1.010 -1.200 586 HG23 VAL 79 2HG2 VAL 79 -7.487 -0.340 -0.832 587 H GLY 80 HN GLY 80 -4.617 2.861 1.053 588 HA2 GLY 80 2HA GLY 80 -4.357 2.225 3.815 589 HA3 GLY 80 1HA GLY 80 -3.979 0.833 2.815 590 H VAL 81 HN VAL 81 -2.051 1.571 4.346 591 HA VAL 81 HA VAL 81 -0.079 2.765 2.521 592 HB VAL 81 HB VAL 81 0.040 3.293 5.479 593 HG11 VAL 81 1HG1 VAL 81 1.314 4.670 3.129 594 HG12 VAL 81 2HG1 VAL 81 2.101 3.560 4.252 595 HG13 VAL 81 3HG1 VAL 81 1.518 5.123 4.822 596 HG21 VAL 81 3HG2 VAL 81 -1.254 5.085 3.428 597 HG22 VAL 81 1HG2 VAL 81 -0.851 5.559 5.079 598 HG23 VAL 81 2HG2 VAL 81 -2.047 4.295 4.792 599 H TYR 82 HN TYR 82 2.106 1.956 2.994 600 HA TYR 82 HA TYR 82 2.136 -0.290 4.856 601 HB2 TYR 82 2HB TYR 82 3.245 -1.783 3.347 602 HB3 TYR 82 1HB TYR 82 1.783 -1.212 2.566 603 HD1 TYR 82 1HD TYR 82 5.451 -1.147 2.520 604 HD2 TYR 82 2HD TYR 82 1.900 0.156 0.569 605 HE1 TYR 82 1HE TYR 82 6.767 -0.576 0.521 606 HE2 TYR 82 2HE TYR 82 3.207 0.738 -1.428 607 HH TYR 82 HH TYR 82 5.495 1.296 -2.026 608 H HIS 83 HN HIS 83 4.014 -0.667 5.905 609 HA HIS 83 HA HIS 83 6.186 1.277 5.410 610 HB2 HIS 83 2HB HIS 83 5.444 0.027 8.076 611 HB3 HIS 83 1HB HIS 83 6.738 1.178 7.798 612 HD1 HIS 83 1HD HIS 83 5.601 3.577 6.647 613 HD2 HIS 83 2HD HIS 83 3.377 1.215 9.253 614 HE1 HIS 83 1HE HIS 83 3.855 5.097 7.623 615 HE2 HIS 83 2HE HIS 83 2.736 3.710 9.402 616 H SER 84 HN SER 84 8.224 0.432 5.247 617 HA SER 84 HA SER 84 8.494 -2.472 5.597 618 HB2 SER 84 2HB SER 84 10.316 -0.572 4.092 619 HB3 SER 84 1HB SER 84 10.404 -2.335 4.094 620 HG SER 84 HG SER 84 9.065 -0.847 2.420 621 H HIS 85 HN HIS 85 9.672 -3.207 7.266 622 HA HIS 85 HA HIS 85 11.518 -1.308 8.559 623 HB2 HIS 85 2HB HIS 85 9.554 -3.178 9.889 624 HB3 HIS 85 1HB HIS 85 10.908 -2.456 10.747 625 HD1 HIS 85 1HD HIS 85 7.751 -1.950 11.242 626 HD2 HIS 85 2HD HIS 85 10.454 0.605 9.382 627 HE1 HIS 85 1HE HIS 85 6.773 0.353 11.474 628 HE2 HIS 85 2HE HIS 85 8.350 1.867 10.217 629 HA PRO 86 HA PRO 86 14.328 -4.709 8.201 630 HB2 PRO 86 2HB PRO 86 16.387 -3.312 9.497 631 HB3 PRO 86 1HB PRO 86 16.018 -3.273 7.772 632 HG2 PRO 86 2HG PRO 86 15.780 -1.135 9.592 633 HG3 PRO 86 1HG PRO 86 15.167 -1.185 7.931 634 HD2 PRO 86 2HD PRO 86 13.734 -1.650 10.501 635 HD3 PRO 86 1HD PRO 86 13.137 -0.946 8.979 636 H ASP 87 HN ASP 87 14.507 -6.472 9.382 637 HA ASP 87 HA ASP 87 14.820 -7.929 11.093 638 HB2 ASP 87 2HB ASP 87 17.047 -6.829 11.037 639 HB3 ASP 87 1HB ASP 87 16.492 -5.692 12.259 640 H HIS 88 HN HIS 88 12.509 -7.608 11.585 641 HA HIS 88 HA HIS 88 12.180 -7.046 14.397 642 HB2 HIS 88 2HB HIS 88 10.980 -5.300 12.278 643 HB3 HIS 88 1HB HIS 88 10.029 -5.643 13.718 644 HD1 HIS 88 1HD HIS 88 12.893 -3.632 12.499 645 HD2 HIS 88 2HD HIS 88 11.144 -4.607 16.139 646 HE1 HIS 88 1HE HIS 88 13.800 -1.973 14.148 647 HE2 HIS 88 2HE HIS 88 12.920 -2.741 16.375 648 HA PRO 89 HA PRO 89 9.215 -10.307 14.073 649 HB2 PRO 89 2HB PRO 89 7.334 -8.928 15.853 650 HB3 PRO 89 1HB PRO 89 8.264 -10.403 16.129 651 HG2 PRO 89 2HG PRO 89 8.838 -8.111 17.408 652 HG3 PRO 89 1HG PRO 89 10.104 -9.254 16.921 653 HD2 PRO 89 2HD PRO 89 9.243 -6.706 15.595 654 HD3 PRO 89 1HD PRO 89 10.884 -7.319 15.896 655 H ALA 90 HN ALA 90 8.632 -7.476 12.649 656 HA ALA 90 HA ALA 90 7.137 -6.621 11.192 657 HB1 ALA 90 1HB ALA 90 5.544 -8.087 10.075 658 HB2 ALA 90 2HB ALA 90 5.832 -9.342 11.280 659 HB3 ALA 90 3HB ALA 90 7.127 -8.856 10.187 660 H ARG 91 HN ARG 91 6.575 -5.244 12.908 661 HA ARG 91 HA ARG 91 3.781 -5.155 13.442 662 HB2 ARG 91 2HB ARG 91 4.159 -4.983 15.978 663 HB3 ARG 91 1HB ARG 91 4.165 -6.595 15.278 664 HG2 ARG 91 2HG ARG 91 6.540 -6.713 15.387 665 HG3 ARG 91 1HG ARG 91 6.651 -5.011 15.828 666 HD2 ARG 91 2HD ARG 91 5.089 -6.881 17.547 667 HD3 ARG 91 1HD ARG 91 6.850 -6.861 17.657 668 HE ARG 91 HE ARG 91 6.491 -4.348 18.028 669 HH11 ARG 91 1HH1 ARG 91 4.198 -6.790 19.071 670 HH12 ARG 91 2HH1 ARG 91 3.731 -5.896 20.492 671 HH21 ARG 91 1HH2 ARG 91 5.890 -3.210 19.892 672 HH22 ARG 91 2HH2 ARG 91 4.695 -3.884 20.964 673 HA PRO 92 HA PRO 92 4.725 -0.855 13.540 674 HB2 PRO 92 2HB PRO 92 2.937 -0.380 15.821 675 HB3 PRO 92 1HB PRO 92 2.792 0.174 14.153 676 HG2 PRO 92 2HG PRO 92 1.169 -1.712 15.172 677 HG3 PRO 92 1HG PRO 92 1.687 -1.733 13.476 678 HD2 PRO 92 2HD PRO 92 2.701 -3.342 15.789 679 HD3 PRO 92 1HD PRO 92 2.387 -3.848 14.115 680 H SER 93 HN SER 93 6.028 0.634 14.510 681 HA SER 93 HA SER 93 7.197 -0.070 17.089 682 HB2 SER 93 2HB SER 93 7.983 2.030 15.050 683 HB3 SER 93 1HB SER 93 8.857 1.697 16.546 684 HG SER 93 HG SER 93 9.381 -0.320 15.787 685 H ALA 94 HN ALA 94 7.562 1.802 18.638 686 HA ALA 94 HA ALA 94 5.072 2.698 19.497 687 HB1 ALA 94 1HB ALA 94 6.274 4.027 21.137 688 HB2 ALA 94 2HB ALA 94 7.767 3.842 20.215 689 HB3 ALA 94 3HB ALA 94 7.011 2.434 20.964 690 H THR 95 HN THR 95 7.604 4.551 17.796 691 HA THR 95 HA THR 95 5.944 6.909 17.775 692 HB THR 95 HB THR 95 8.619 6.365 16.476 693 HG1 THR 95 1HG THR 95 7.739 7.530 18.912 694 HG21 THR 95 3HG2 THR 95 7.420 8.144 15.281 695 HG22 THR 95 1HG2 THR 95 8.775 8.799 16.199 696 HG23 THR 95 2HG2 THR 95 7.130 8.978 16.808 697 H ASP 96 HN ASP 96 6.768 4.337 15.531 698 HA ASP 96 HA ASP 96 5.656 5.435 13.194 699 HB2 ASP 96 2HB ASP 96 7.005 3.337 13.278 700 HB3 ASP 96 1HB ASP 96 5.646 2.527 14.047 701 H LEU 97 HN LEU 97 4.268 3.767 15.937 702 HA LEU 97 HA LEU 97 1.572 3.735 15.057 703 HB2 LEU 97 2HB LEU 97 2.535 2.336 16.884 704 HB3 LEU 97 1HB LEU 97 2.664 3.768 17.879 705 HG LEU 97 HG LEU 97 0.000 2.859 16.824 706 HD11 LEU 97 1HD1 LEU 97 1.339 1.953 19.371 707 HD12 LEU 97 2HD1 LEU 97 1.028 0.948 17.955 708 HD13 LEU 97 3HD1 LEU 97 -0.321 1.601 18.887 709 HD21 LEU 97 3HD2 LEU 97 -0.827 4.011 18.825 710 HD22 LEU 97 1HD2 LEU 97 0.118 5.096 17.806 711 HD23 LEU 97 2HD2 LEU 97 0.828 4.421 19.273 712 H GLU 98 HN GLU 98 3.459 5.996 17.042 713 HA GLU 98 HA GLU 98 1.401 7.736 17.764 714 HB2 GLU 98 2HB GLU 98 4.312 8.362 17.251 715 HB3 GLU 98 1HB GLU 98 3.183 9.435 18.067 716 HG2 GLU 98 2HG GLU 98 2.884 7.775 19.835 717 HG3 GLU 98 1HG GLU 98 4.022 6.706 19.015 718 H GLU 99 HN GLU 99 3.390 7.681 14.840 719 HA GLU 99 HA GLU 99 2.451 10.200 13.901 720 HB2 GLU 99 2HB GLU 99 3.896 7.963 12.488 721 HB3 GLU 99 1HB GLU 99 3.563 9.534 11.766 722 HG2 GLU 99 2HG GLU 99 5.205 9.056 14.245 723 HG3 GLU 99 1HG GLU 99 5.839 9.390 12.634 724 H ALA 100 HN ALA 100 1.080 7.093 13.904 725 HA ALA 100 HA ALA 100 -0.618 7.506 11.618 726 HB1 ALA 100 1HB ALA 100 -0.882 5.523 13.879 727 HB2 ALA 100 2HB ALA 100 -0.044 5.241 12.352 728 HB3 ALA 100 3HB ALA 100 -1.787 5.500 12.366 729 H THR 101 HN THR 101 -1.496 9.537 12.018 730 HA THR 101 HA THR 101 -3.435 9.666 14.236 731 HB THR 101 HB THR 101 -2.323 12.038 12.745 732 HG1 THR 101 1HG THR 101 -0.850 10.467 14.134 733 HG21 THR 101 3HG2 THR 101 -3.585 11.754 15.479 734 HG22 THR 101 1HG2 THR 101 -4.350 12.452 14.054 735 HG23 THR 101 2HG2 THR 101 -2.961 13.253 14.788 736 H PHE 102 HN PHE 102 -3.413 8.810 11.185 737 HA PHE 102 HA PHE 102 -5.920 10.187 10.537 738 HB2 PHE 102 2HB PHE 102 -5.237 9.970 8.097 739 HB3 PHE 102 1HB PHE 102 -4.373 11.166 9.049 740 HD1 PHE 102 1HD PHE 102 -2.061 10.533 9.936 741 HD2 PHE 102 2HD PHE 102 -4.083 8.319 6.913 742 HE1 PHE 102 1HE PHE 102 0.081 9.553 9.224 743 HE2 PHE 102 2HE PHE 102 -1.946 7.336 6.201 744 HZ PHE 102 HZ PHE 102 0.140 7.950 7.356 745 HA PRO 103 HA PRO 103 -6.889 5.703 10.637 746 HB2 PRO 103 2HB PRO 103 -9.542 6.735 11.362 747 HB3 PRO 103 1HB PRO 103 -8.518 5.580 12.218 748 HG2 PRO 103 2HG PRO 103 -8.934 8.070 13.147 749 HG3 PRO 103 1HG PRO 103 -7.390 7.229 13.370 750 HD2 PRO 103 2HD PRO 103 -8.123 9.345 11.380 751 HD3 PRO 103 1HD PRO 103 -6.631 9.158 12.324 752 H GLY 104 HN GLY 104 -8.438 4.485 9.379 753 HA2 GLY 104 2HA GLY 104 -10.241 4.500 7.726 754 HA3 GLY 104 1HA GLY 104 -9.603 6.036 7.150 755 H PHE 105 HN PHE 105 -6.883 4.640 7.715 756 HA PHE 105 HA PHE 105 -6.698 3.345 5.085 757 HB2 PHE 105 2HB PHE 105 -4.578 4.663 6.797 758 HB3 PHE 105 1HB PHE 105 -4.246 3.819 5.290 759 HD1 PHE 105 2HD PHE 105 -6.015 6.731 6.746 760 HD2 PHE 105 1HD PHE 105 -4.492 4.886 3.227 761 HE1 PHE 105 2HE PHE 105 -6.406 8.813 5.490 762 HE2 PHE 105 1HE PHE 105 -4.874 6.964 1.970 763 HZ PHE 105 HZ PHE 105 -5.831 8.929 3.095 764 H THR 106 HN THR 106 -5.810 1.312 4.901 765 HA THR 106 HA THR 106 -5.443 -0.199 7.364 766 HB THR 106 HB THR 106 -5.199 -1.216 4.525 767 HG1 THR 106 1HG THR 106 -7.328 -1.347 4.436 768 HG21 THR 106 3HG2 THR 106 -5.769 -3.373 5.549 769 HG22 THR 106 1HG2 THR 106 -5.824 -2.603 7.137 770 HG23 THR 106 2HG2 THR 106 -4.302 -2.696 6.251 771 H TYR 107 HN TYR 107 -3.474 -0.775 8.151 772 HA TYR 107 HA TYR 107 -1.167 0.237 6.639 773 HB2 TYR 107 2HB TYR 107 -1.473 -0.277 9.601 774 HB3 TYR 107 1HB TYR 107 -0.003 0.301 8.824 775 HD1 TYR 107 2HD TYR 107 0.015 2.562 7.761 776 HD2 TYR 107 1HD TYR 107 -3.259 1.203 10.111 777 HE1 TYR 107 2HE TYR 107 -0.762 4.883 8.012 778 HE2 TYR 107 1HE TYR 107 -4.045 3.516 10.367 779 HH TYR 107 HH TYR 107 -3.016 6.028 8.473 780 H VAL 108 HN VAL 108 0.004 -1.231 5.644 781 HA VAL 108 HA VAL 108 0.206 -3.924 6.808 782 HB VAL 108 HB VAL 108 0.815 -3.005 3.991 783 HG11 VAL 108 1HG1 VAL 108 0.908 -5.776 5.183 784 HG12 VAL 108 2HG1 VAL 108 2.298 -4.821 4.672 785 HG13 VAL 108 3HG1 VAL 108 1.127 -5.380 3.478 786 HG21 VAL 108 3HG2 VAL 108 -1.121 -4.420 3.394 787 HG22 VAL 108 1HG2 VAL 108 -1.562 -3.060 4.427 788 HG23 VAL 108 2HG2 VAL 108 -1.429 -4.679 5.111 789 H ILE 109 HN ILE 109 2.066 -4.529 7.708 790 HA ILE 109 HA ILE 109 4.442 -2.875 7.170 791 HB ILE 109 HB ILE 109 3.726 -4.317 9.728 792 HG12 ILE 109 2HG1 ILE 109 3.856 -1.367 9.059 793 HG13 ILE 109 1HG1 ILE 109 2.387 -2.294 9.330 794 HG21 ILE 109 1HG2 ILE 109 5.721 -3.225 10.661 795 HG22 ILE 109 2HG2 ILE 109 6.112 -2.593 9.061 796 HG23 ILE 109 3HG2 ILE 109 6.128 -4.333 9.349 797 HD11 ILE 109 3HD1 ILE 109 4.528 -1.724 11.359 798 HD12 ILE 109 1HD1 ILE 109 3.083 -2.697 11.640 799 HD13 ILE 109 2HD1 ILE 109 2.930 -0.979 11.270 800 H VAL 110 HN VAL 110 6.116 -3.870 6.298 801 HA VAL 110 HA VAL 110 6.170 -6.811 6.364 802 HB VAL 110 HB VAL 110 5.875 -6.004 4.098 803 HG11 VAL 110 1HG1 VAL 110 7.556 -4.586 2.999 804 HG12 VAL 110 2HG1 VAL 110 8.383 -4.389 4.544 805 HG13 VAL 110 3HG1 VAL 110 6.751 -3.757 4.332 806 HG21 VAL 110 3HG2 VAL 110 7.820 -7.015 3.014 807 HG22 VAL 110 1HG2 VAL 110 7.273 -7.973 4.389 808 HG23 VAL 110 2HG2 VAL 110 8.703 -6.952 4.541 809 H SER 111 HN SER 111 7.949 -7.846 7.008 810 HA SER 111 HA SER 111 10.112 -6.228 8.130 811 HB2 SER 111 2HB SER 111 8.951 -7.841 9.615 812 HB3 SER 111 1HB SER 111 9.444 -9.149 8.543 813 HG SER 111 HG SER 111 10.986 -9.141 10.067 814 H VAL 112 HN VAL 112 11.703 -5.906 6.700 815 HA VAL 112 HA VAL 112 12.610 -8.236 5.134 816 HB VAL 112 HB VAL 112 12.921 -5.331 4.336 817 HG11 VAL 112 1HG1 VAL 112 13.539 -7.884 2.850 818 HG12 VAL 112 2HG1 VAL 112 14.721 -6.761 3.529 819 HG13 VAL 112 3HG1 VAL 112 13.681 -6.251 2.196 820 HG21 VAL 112 3HG2 VAL 112 11.031 -7.434 3.282 821 HG22 VAL 112 1HG2 VAL 112 11.297 -5.848 2.558 822 HG23 VAL 112 2HG2 VAL 112 10.592 -5.973 4.172 823 H ARG 113 HN ARG 113 14.488 -8.981 5.828 824 HA ARG 113 HA ARG 113 16.203 -7.167 7.380 825 HB2 ARG 113 2HB ARG 113 16.265 -10.189 7.361 826 HB3 ARG 113 1HB ARG 113 17.083 -9.114 8.484 827 HG2 ARG 113 2HG ARG 113 14.843 -8.334 9.259 828 HG3 ARG 113 1HG ARG 113 14.121 -9.583 8.247 829 HD2 ARG 113 2HD ARG 113 15.476 -11.266 9.511 830 HD3 ARG 113 1HD ARG 113 15.962 -9.967 10.600 831 HE ARG 113 HE ARG 113 13.107 -10.583 10.209 832 HH11 ARG 113 1HH1 ARG 113 15.882 -10.244 12.331 833 HH12 ARG 113 2HH1 ARG 113 14.962 -10.564 13.775 834 HH21 ARG 113 1HH2 ARG 113 11.913 -10.970 12.081 835 HH22 ARG 113 2HH2 ARG 113 12.699 -10.947 13.639 836 H ASP 114 HN ASP 114 17.087 -6.241 5.541 837 HA ASP 114 HA ASP 114 18.423 -5.956 3.743 838 HB2 ASP 114 2HB ASP 114 20.082 -6.356 5.528 839 HB3 ASP 114 1HB ASP 114 20.091 -8.065 5.113 840 H GLY 115 HN GLY 115 16.833 -6.832 2.306 841 HA2 GLY 115 2HA GLY 115 16.583 -7.926 0.282 842 HA3 GLY 115 1HA GLY 115 18.023 -8.864 0.644 843 H ALA 116 HN ALA 116 16.538 -9.423 3.345 844 HA ALA 116 HA ALA 116 15.202 -11.809 2.304 845 HB1 ALA 116 1HB ALA 116 16.203 -11.239 5.089 846 HB2 ALA 116 2HB ALA 116 17.040 -12.194 3.864 847 HB3 ALA 116 3HB ALA 116 15.506 -12.760 4.526 848 HA PRO 117 HA PRO 117 11.408 -9.731 3.685 849 HB2 PRO 117 2HB PRO 117 10.046 -11.563 1.897 850 HB3 PRO 117 1HB PRO 117 10.193 -9.810 1.772 851 HG2 PRO 117 2HG PRO 117 11.397 -11.545 0.044 852 HG3 PRO 117 1HG PRO 117 12.030 -9.932 0.413 853 HD2 PRO 117 2HD PRO 117 12.878 -12.595 1.494 854 HD3 PRO 117 1HD PRO 117 13.877 -11.215 0.986 855 H GLU 118 HN GLU 118 10.854 -10.443 5.645 856 HA GLU 118 HA GLU 118 10.903 -13.260 6.276 857 HB2 GLU 118 2HB GLU 118 11.846 -11.634 7.822 858 HB3 GLU 118 1HB GLU 118 10.295 -10.827 7.954 859 HG2 GLU 118 2HG GLU 118 9.339 -12.729 9.051 860 HG3 GLU 118 1HG GLU 118 10.814 -13.662 8.797 861 H ALA 119 HN ALA 119 8.481 -10.727 6.952 862 HA ALA 119 HA ALA 119 6.362 -12.542 6.136 863 HB1 ALA 119 1HB ALA 119 6.806 -13.144 8.481 864 HB2 ALA 119 2HB ALA 119 5.198 -12.455 8.260 865 HB3 ALA 119 3HB ALA 119 6.488 -11.474 8.954 866 H LEU 120 HN LEU 120 4.291 -11.558 6.030 867 HA LEU 120 HA LEU 120 4.337 -8.617 5.865 868 HB2 LEU 120 2HB LEU 120 2.785 -10.696 4.336 869 HB3 LEU 120 1HB LEU 120 2.300 -9.013 4.363 870 HG LEU 120 HG LEU 120 5.022 -9.901 3.428 871 HD11 LEU 120 1HD1 LEU 120 2.542 -9.379 1.791 872 HD12 LEU 120 2HD1 LEU 120 3.312 -10.949 2.028 873 HD13 LEU 120 3HD1 LEU 120 4.160 -9.672 1.152 874 HD21 LEU 120 3HD2 LEU 120 5.038 -7.701 2.372 875 HD22 LEU 120 1HD2 LEU 120 4.814 -7.566 4.116 876 HD23 LEU 120 2HD2 LEU 120 3.438 -7.367 3.030 877 H THR 121 HN THR 121 3.158 -7.601 7.368 878 HA THR 121 HA THR 121 0.946 -9.097 8.611 879 HB THR 121 HB THR 121 1.362 -7.735 10.671 880 HG1 THR 121 1HG THR 121 3.469 -6.802 9.059 881 HG21 THR 121 3HG2 THR 121 2.149 -10.028 10.531 882 HG22 THR 121 1HG2 THR 121 3.316 -9.038 11.408 883 HG23 THR 121 2HG2 THR 121 3.627 -9.493 9.732 884 H ALA 122 HN ALA 122 -0.999 -8.170 8.582 885 HA ALA 122 HA ALA 122 -1.153 -5.375 7.682 886 HB1 ALA 122 1HB ALA 122 -3.237 -7.552 7.430 887 HB2 ALA 122 2HB ALA 122 -2.189 -6.973 6.133 888 HB3 ALA 122 3HB ALA 122 -3.391 -5.895 6.844 889 H TRP 123 HN TRP 123 -2.196 -3.917 8.882 890 HA TRP 123 HA TRP 123 -3.317 -4.853 11.432 891 HB2 TRP 123 2HB TRP 123 -1.499 -2.474 11.005 892 HB3 TRP 123 1HB TRP 123 -2.209 -2.966 12.541 893 HD1 TRP 123 1HD TRP 123 0.513 -3.989 10.034 894 HE1 TRP 123 1HE TRP 123 2.131 -5.622 11.212 895 HE3 TRP 123 3HE TRP 123 -2.067 -4.670 14.393 896 HZ2 TRP 123 2HZ TRP 123 2.274 -7.008 13.668 897 HZ3 TRP 123 3HZ TRP 123 -1.147 -6.177 16.095 898 HH2 TRP 123 2HH TRP 123 1.001 -7.313 15.745 899 H ALA 124 HN ALA 124 -5.113 -3.869 12.124 900 HA ALA 124 HA ALA 124 -6.189 -1.696 10.466 901 HB1 ALA 124 1HB ALA 124 -7.623 -3.542 12.377 902 HB2 ALA 124 2HB ALA 124 -7.599 -3.696 10.621 903 HB3 ALA 124 3HB ALA 124 -8.378 -2.302 11.374 904 H LEU 125 HN LEU 125 -6.314 0.280 11.301 905 HA LEU 125 HA LEU 125 -5.468 0.723 14.029 906 HB2 LEU 125 2HB LEU 125 -4.643 2.177 12.235 907 HB3 LEU 125 1HB LEU 125 -6.284 2.659 11.852 908 HG LEU 125 HG LEU 125 -6.477 3.729 14.069 909 HD11 LEU 125 1HD1 LEU 125 -3.553 3.039 14.347 910 HD12 LEU 125 2HD1 LEU 125 -4.874 2.332 15.279 911 HD13 LEU 125 3HD1 LEU 125 -4.496 4.047 15.446 912 HD21 LEU 125 3HD2 LEU 125 -4.987 5.614 13.593 913 HD22 LEU 125 1HD2 LEU 125 -5.801 5.043 12.136 914 HD23 LEU 125 2HD2 LEU 125 -4.111 4.625 12.423 915 H ALA 126 HN ALA 126 -6.733 1.315 15.702 916 HA ALA 126 HA ALA 126 -9.470 0.878 15.755 917 HB1 ALA 126 1HB ALA 126 -9.481 2.090 17.877 918 HB2 ALA 126 2HB ALA 126 -7.889 2.759 17.515 919 HB3 ALA 126 3HB ALA 126 -8.080 1.024 17.773 920 HA PRO 127 HA PRO 127 -11.233 4.077 13.319 921 HB2 PRO 127 2HB PRO 127 -13.376 4.097 15.393 922 HB3 PRO 127 1HB PRO 127 -13.507 3.931 13.638 923 HG2 PRO 127 2HG PRO 127 -13.792 1.807 15.199 924 HG3 PRO 127 1HG PRO 127 -12.893 1.686 13.673 925 HD2 PRO 127 2HD PRO 127 -11.862 1.834 16.476 926 HD3 PRO 127 1HD PRO 127 -11.260 0.884 15.101 927 H ASP 128 HN ASP 128 -11.180 4.593 16.826 928 HA ASP 128 HA ASP 128 -11.315 7.484 16.433 929 HB2 ASP 128 2HB ASP 128 -11.439 5.760 18.905 930 HB3 ASP 128 1HB ASP 128 -11.359 7.518 18.972 931 H ARG 129 HN ARG 129 -8.944 5.404 16.125 932 HA ARG 129 HA ARG 129 -6.685 5.473 16.212 933 HB2 ARG 129 2HB ARG 129 -7.137 7.795 15.324 934 HB3 ARG 129 1HB ARG 129 -6.977 8.384 16.969 935 HG2 ARG 129 2HG ARG 129 -4.762 6.814 15.726 936 HG3 ARG 129 1HG ARG 129 -4.968 8.521 15.337 937 HD2 ARG 129 2HD ARG 129 -4.913 8.999 17.790 938 HD3 ARG 129 1HD ARG 129 -4.500 7.304 18.054 939 HE ARG 129 HE ARG 129 -2.652 8.217 16.238 940 HH11 ARG 129 1HH1 ARG 129 -3.626 9.058 19.493 941 HH12 ARG 129 2HH1 ARG 129 -2.083 9.728 19.926 942 HH21 ARG 129 1HH2 ARG 129 -0.600 9.099 16.815 943 HH22 ARG 129 2HH2 ARG 129 -0.369 9.751 18.408 944 H SER 130 HN SER 130 -6.251 4.139 17.876 945 HA SER 130 HA SER 130 -5.406 5.364 20.369 946 HB2 SER 130 2HB SER 130 -7.406 3.086 20.361 947 HB3 SER 130 1HB SER 130 -6.688 3.836 21.782 948 HG SER 130 HG SER 130 -7.725 5.806 20.427 949 H GLU 131 HN GLU 131 -5.900 2.326 18.612 950 HA GLU 131 HA GLU 131 -3.157 1.560 19.090 951 HB2 GLU 131 2HB GLU 131 -3.800 -0.629 20.076 952 HB3 GLU 131 1HB GLU 131 -4.223 0.728 21.115 953 HG2 GLU 131 2HG GLU 131 -6.529 0.612 20.125 954 HG3 GLU 131 1HG GLU 131 -6.048 -0.909 19.387 955 H PHE 132 HN PHE 132 -2.802 -0.663 18.075 956 HA PHE 132 HA PHE 132 -4.319 -0.807 15.563 957 HB2 PHE 132 2HB PHE 132 -1.472 -1.539 16.233 958 HB3 PHE 132 1HB PHE 132 -2.268 -2.148 14.788 959 HD1 PHE 132 2HD PHE 132 -0.912 0.818 16.454 960 HD2 PHE 132 1HD PHE 132 -2.741 -0.715 12.932 961 HE1 PHE 132 2HE PHE 132 -0.293 2.869 15.244 962 HE2 PHE 132 1HE PHE 132 -2.115 1.328 11.712 963 HZ PHE 132 HZ PHE 132 -0.890 3.124 12.870 964 H HIS 133 HN HIS 133 -5.049 -2.803 14.833 965 HA HIS 133 HA HIS 133 -4.741 -5.036 16.726 966 HB2 HIS 133 2HB HIS 133 -7.222 -4.175 15.233 967 HB3 HIS 133 1HB HIS 133 -7.046 -5.781 15.928 968 HD1 HIS 133 1HD HIS 133 -7.314 -6.020 18.444 969 HD2 HIS 133 2HD HIS 133 -7.479 -2.074 17.140 970 HE1 HIS 133 1HE HIS 133 -8.124 -4.693 20.415 971 HE2 HIS 133 2HE HIS 133 -7.947 -2.295 19.680 972 H ARG 134 HN ARG 134 -4.536 -7.055 15.867 973 HA ARG 134 HA ARG 134 -3.523 -7.065 13.139 974 HB2 ARG 134 2HB ARG 134 -2.069 -8.034 14.802 975 HB3 ARG 134 1HB ARG 134 -3.357 -9.078 15.386 976 HG2 ARG 134 2HG ARG 134 -1.875 -10.392 14.077 977 HG3 ARG 134 1HG ARG 134 -3.371 -10.192 13.177 978 HD2 ARG 134 2HD ARG 134 -2.195 -8.226 12.032 979 HD3 ARG 134 1HD ARG 134 -0.709 -8.901 12.703 980 HE ARG 134 HE ARG 134 -2.418 -10.114 10.657 981 HH11 ARG 134 1HH1 ARG 134 0.450 -10.320 12.682 982 HH12 ARG 134 2HH1 ARG 134 1.190 -11.556 11.701 983 HH21 ARG 134 1HH2 ARG 134 -1.414 -11.753 9.389 984 HH22 ARG 134 2HH2 ARG 134 0.152 -12.351 9.848 985 H GLU 135 HN GLU 135 -4.399 -8.201 11.505 986 HA GLU 135 HA GLU 135 -6.620 -10.019 12.092 987 HB2 GLU 135 2HB GLU 135 -7.484 -7.792 11.274 988 HB3 GLU 135 1HB GLU 135 -6.629 -8.081 9.764 989 HG2 GLU 135 2HG GLU 135 -7.967 -10.081 9.376 990 HG3 GLU 135 1HG GLU 135 -8.806 -9.824 10.903 991 H ASP 136 HN ASP 136 -7.016 -11.516 10.240 992 HA ASP 136 HA ASP 136 -4.451 -12.428 9.223 993 HB2 ASP 136 2HB ASP 136 -7.178 -13.712 8.928 994 HB3 ASP 136 1HB ASP 136 -5.621 -14.463 8.592 995 H ILE 137 HN ILE 137 -4.018 -12.759 7.021 996 HA ILE 137 HA ILE 137 -5.344 -10.855 5.292 997 HB ILE 137 HB ILE 137 -2.940 -12.637 4.835 998 HG12 ILE 137 2HG1 ILE 137 -1.834 -10.320 4.593 999 HG13 ILE 137 1HG1 ILE 137 -3.291 -9.689 5.355 1000 HG21 ILE 137 1HG2 ILE 137 -4.168 -10.628 2.952 1001 HG22 ILE 137 2HG2 ILE 137 -4.115 -12.378 2.733 1002 HG23 ILE 137 3HG2 ILE 137 -2.621 -11.440 2.717 1003 HD11 ILE 137 3HD1 ILE 137 -1.448 -10.016 6.944 1004 HD12 ILE 137 1HD1 ILE 137 -1.444 -11.741 6.570 1005 HD13 ILE 137 2HD1 ILE 137 -2.853 -11.008 7.337 1006 H VAL 138 HN VAL 138 -6.897 -11.358 3.892 1007 HA VAL 138 HA VAL 138 -7.464 -14.213 3.467 1008 HB VAL 138 HB VAL 138 -9.525 -12.197 2.795 1009 HG11 VAL 138 1HG1 VAL 138 -9.624 -14.896 4.116 1010 HG12 VAL 138 2HG1 VAL 138 -9.927 -14.550 2.413 1011 HG13 VAL 138 3HG1 VAL 138 -11.022 -13.930 3.648 1012 HG21 VAL 138 3HG2 VAL 138 -10.341 -12.071 5.108 1013 HG22 VAL 138 1HG2 VAL 138 -8.748 -11.336 4.937 1014 HG23 VAL 138 2HG2 VAL 138 -8.907 -12.939 5.654 1015 H ARG 139 HN ARG 139 -8.264 -14.836 1.414 1016 HA ARG 139 HA ARG 139 -6.812 -13.602 -0.740 1017 HB2 ARG 139 2HB ARG 139 -8.636 -16.016 -0.697 1018 HB3 ARG 139 1HB ARG 139 -7.586 -15.552 -2.025 1019 HG2 ARG 139 2HG ARG 139 -5.626 -15.918 -0.652 1020 HG3 ARG 139 1HG ARG 139 -6.646 -16.295 0.738 1021 HD2 ARG 139 2HD ARG 139 -5.870 -18.350 -0.194 1022 HD3 ARG 139 1HD ARG 139 -7.587 -18.199 -0.561 1023 HE ARG 139 HE ARG 139 -6.674 -17.297 -2.814 1024 HH11 ARG 139 1HH1 ARG 139 -5.296 -19.877 -0.878 1025 HH12 ARG 139 2HH1 ARG 139 -4.592 -20.688 -2.242 1026 HH21 ARG 139 1HH2 ARG 139 -5.729 -18.368 -4.609 1027 HH22 ARG 139 2HH2 ARG 139 -4.829 -19.838 -4.358 1028 HA PRO 140 HA PRO 140 -9.902 -11.039 -2.443 1029 HB2 PRO 140 2HB PRO 140 -9.800 -11.733 -5.126 1030 HB3 PRO 140 1HB PRO 140 -8.701 -10.607 -4.326 1031 HG2 PRO 140 2HG PRO 140 -8.313 -13.496 -4.980 1032 HG3 PRO 140 1HG PRO 140 -7.153 -12.158 -5.076 1033 HD2 PRO 140 2HD PRO 140 -7.090 -13.916 -3.058 1034 HD3 PRO 140 1HD PRO 140 -6.729 -12.197 -2.798 1035 H ASP 141 HN ASP 141 -12.047 -11.010 -2.918 1036 HA ASP 141 HA ASP 141 -13.665 -13.124 -2.315 1037 HB2 ASP 141 2HB ASP 141 -14.236 -10.744 -4.090 1038 HB3 ASP 141 1HB ASP 141 -15.481 -11.845 -3.506 1039 HA PRO 142 HA PRO 142 -12.511 -15.909 -5.458 1040 HB2 PRO 142 2HB PRO 142 -14.909 -17.420 -4.594 1041 HB3 PRO 142 1HB PRO 142 -13.215 -17.920 -4.645 1042 HG2 PRO 142 2HG PRO 142 -14.397 -17.365 -2.327 1043 HG3 PRO 142 1HG PRO 142 -12.714 -16.888 -2.628 1044 HD2 PRO 142 2HD PRO 142 -15.201 -15.226 -2.698 1045 HD3 PRO 142 1HD PRO 142 -13.598 -14.829 -2.045 1046 H GLU 143 HN GLU 143 -13.054 -14.567 -7.245 1047 HA GLU 143 HA GLU 143 -14.052 -14.122 -9.234 1048 HB2 GLU 143 2HB GLU 143 -14.833 -17.006 -8.865 1049 HB3 GLU 143 1HB GLU 143 -15.038 -16.108 -10.359 1050 HG2 GLU 143 2HG GLU 143 -12.592 -15.695 -10.394 1051 HG3 GLU 143 1HG GLU 143 -12.443 -16.722 -8.968 1052 H ALA 144 HN ALA 144 -15.601 -13.505 -6.913 1053 HA ALA 144 HA ALA 144 -18.364 -13.924 -7.744 1054 HB1 ALA 144 1HB ALA 144 -17.831 -14.240 -5.377 1055 HB2 ALA 144 2HB ALA 144 -18.966 -12.910 -5.604 1056 HB3 ALA 144 3HB ALA 144 -17.265 -12.573 -5.278 1057 HA PRO 145 HA PRO 145 -17.946 -9.808 -9.513 1058 HB2 PRO 145 2HB PRO 145 -19.467 -10.240 -11.670 1059 HB3 PRO 145 1HB PRO 145 -17.837 -10.907 -11.541 1060 HG2 PRO 145 2HG PRO 145 -20.451 -12.271 -11.331 1061 HG3 PRO 145 1HG PRO 145 -18.880 -12.921 -11.823 1062 HD2 PRO 145 2HD PRO 145 -20.141 -13.116 -9.258 1063 HD3 PRO 145 1HD PRO 145 -18.545 -13.725 -9.736 1064 H LEU 146 HN LEU 146 -19.357 -8.043 -9.804 1065 HA LEU 146 HA LEU 146 -21.864 -8.205 -8.363 1066 HB2 LEU 146 2HB LEU 146 -20.436 -5.912 -9.717 1067 HB3 LEU 146 1HB LEU 146 -21.974 -5.745 -8.903 1068 HG LEU 146 HG LEU 146 -20.780 -6.566 -6.807 1069 HD11 LEU 146 1HD1 LEU 146 -18.805 -7.500 -7.880 1070 HD12 LEU 146 2HD1 LEU 146 -18.365 -6.236 -6.732 1071 HD13 LEU 146 3HD1 LEU 146 -18.355 -5.898 -8.463 1072 HD21 LEU 146 3HD2 LEU 146 -19.963 -3.943 -8.037 1073 HD22 LEU 146 1HD2 LEU 146 -19.870 -4.346 -6.323 1074 HD23 LEU 146 2HD2 LEU 146 -21.438 -4.255 -7.124 1075 H GLU 147 HN GLU 147 -23.872 -7.268 -9.400 1076 HA GLU 147 HA GLU 147 -24.343 -8.471 -11.929 1077 HB2 GLU 147 2HB GLU 147 -25.972 -7.729 -9.942 1078 HB3 GLU 147 1HB GLU 147 -26.122 -6.292 -10.944 1079 HG2 GLU 147 2HG GLU 147 -26.597 -9.082 -11.959 1080 HG3 GLU 147 1HG GLU 147 -27.857 -8.053 -11.289 1081 H HIS 148 HN HIS 148 -23.407 -7.751 -13.700 1082 HA HIS 148 HA HIS 148 -22.127 -5.275 -13.919 1083 HB2 HIS 148 2HB HIS 148 -22.795 -7.454 -15.844 1084 HB3 HIS 148 1HB HIS 148 -22.261 -5.906 -16.488 1085 HD1 HIS 148 1HD HIS 148 -21.012 -9.039 -15.087 1086 HD2 HIS 148 2HD HIS 148 -19.607 -5.147 -15.545 1087 HE1 HIS 148 1HE HIS 148 -18.515 -9.179 -14.821 1088 HE2 HIS 148 2HE HIS 148 -17.676 -6.857 -15.338 1089 H HIS 149 HN HIS 149 -25.294 -6.335 -15.101 1090 HA HIS 149 HA HIS 149 -27.047 -5.227 -16.031 1091 HB2 HIS 149 2HB HIS 149 -25.620 -2.789 -14.955 1092 HB3 HIS 149 1HB HIS 149 -27.174 -2.716 -15.773 1093 HD1 HIS 149 1HD HIS 149 -25.580 -3.966 -12.590 1094 HD2 HIS 149 2HD HIS 149 -29.356 -3.395 -14.234 1095 HE1 HIS 149 1HE HIS 149 -27.194 -4.201 -10.680 1096 HE2 HIS 149 2HE HIS 149 -29.473 -4.065 -11.740 1097 H HIS 150 HN HIS 150 -23.990 -3.581 -16.698 1098 HA HIS 150 HA HIS 150 -23.002 -2.834 -18.586 1099 HB2 HIS 150 2HB HIS 150 -23.641 -5.281 -19.253 1100 HB3 HIS 150 1HB HIS 150 -24.844 -4.502 -20.274 1101 HD1 HIS 150 1HD HIS 150 -21.447 -5.660 -20.324 1102 HD2 HIS 150 2HD HIS 150 -23.527 -2.528 -22.114 1103 HE1 HIS 150 1HE HIS 150 -20.030 -4.919 -22.269 1104 HE2 HIS 150 2HE HIS 150 -21.230 -2.924 -23.240 1105 H HIS 151 HN HIS 151 -24.795 -1.183 -17.559 1106 HA HIS 151 HA HIS 151 -26.469 -0.211 -19.764 1107 HB2 HIS 151 2HB HIS 151 -27.287 -0.579 -17.297 1108 HB3 HIS 151 1HB HIS 151 -26.465 0.947 -16.993 1109 HD1 HIS 151 1HD HIS 151 -27.705 3.061 -17.610 1110 HD2 HIS 151 2HD HIS 151 -29.480 -0.378 -19.140 1111 HE1 HIS 151 1HE HIS 151 -29.927 3.794 -18.538 1112 HE2 HIS 151 2HE HIS 151 -31.070 1.659 -19.239 1113 H HIS 152 HN HIS 152 -26.120 1.779 -20.665 1114 HA HIS 152 HA HIS 152 -25.064 3.692 -21.268 1115 HB2 HIS 152 2HB HIS 152 -25.207 4.539 -19.021 1116 HB3 HIS 152 1HB HIS 152 -23.873 3.522 -18.491 1117 HD1 HIS 152 1HD HIS 152 -24.625 6.760 -20.187 1118 HD2 HIS 152 2HD HIS 152 -21.306 4.466 -19.180 1119 HE1 HIS 152 1HE HIS 152 -22.637 8.260 -20.523 1120 HE2 HIS 152 2HE HIS 152 -20.640 6.781 -20.112 1121 H HIS 153 HN HIS 153 -23.933 2.922 -22.959 1122 HA HIS 153 HA HIS 153 -21.281 1.807 -22.485 1123 HB2 HIS 153 2HB HIS 153 -21.214 1.543 -24.993 1124 HB3 HIS 153 1HB HIS 153 -22.468 0.619 -24.180 1125 HD1 HIS 153 1HD HIS 153 -24.662 0.712 -25.280 1126 HD2 HIS 153 2HD HIS 153 -22.376 4.077 -26.143 1127 HE1 HIS 153 1HE HIS 153 -26.045 2.084 -26.874 1128 HE2 HIS 153 2HE HIS 153 -24.680 4.150 -27.323 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -10.340 -7.474 5.050 2 H2 MET 1 H2 MET 1 -9.101 -7.002 6.116 3 H3 MET 1 H3 MET 1 -9.114 -8.566 5.471 4 HA MET 1 HA MET 1 -8.895 -6.148 3.803 5 HB2 MET 1 2HB MET 1 -7.005 -6.429 5.471 6 HB3 MET 1 1HB MET 1 -6.629 -7.947 4.673 7 HG2 MET 1 2HG MET 1 -6.741 -5.383 3.137 8 HG3 MET 1 1HG MET 1 -5.305 -5.849 4.035 9 HE1 MET 1 2HE MET 1 -5.089 -5.227 1.029 10 HE2 MET 1 3HE MET 1 -4.168 -6.597 0.408 11 HE3 MET 1 1HE MET 1 -3.728 -5.864 1.951 12 H LYS 2 HN LYS 2 -8.855 -6.604 1.642 13 HA LYS 2 HA LYS 2 -8.866 -9.454 0.906 14 HB2 LYS 2 2HB LYS 2 -10.860 -7.353 0.157 15 HB3 LYS 2 1HB LYS 2 -10.527 -8.671 -0.955 16 HG2 LYS 2 2HG LYS 2 -12.270 -9.566 0.171 17 HG3 LYS 2 1HG LYS 2 -10.956 -10.129 1.200 18 HD2 LYS 2 2HD LYS 2 -11.324 -8.239 2.709 19 HD3 LYS 2 1HD LYS 2 -12.635 -7.667 1.676 20 HE2 LYS 2 2HE LYS 2 -13.820 -9.813 2.080 21 HE3 LYS 2 1HE LYS 2 -12.539 -10.269 3.200 22 HZ1 LYS 2 3HZ LYS 2 -14.506 -8.072 3.488 23 HZ2 LYS 2 1HZ LYS 2 -13.106 -8.163 4.441 24 HZ3 LYS 2 2HZ LYS 2 -14.270 -9.398 4.508 25 H THR 3 HN THR 3 -7.304 -9.905 -0.406 26 HA THR 3 HA THR 3 -6.957 -8.433 -2.835 27 HB THR 3 HB THR 3 -5.467 -7.219 -1.142 28 HG1 THR 3 1HG THR 3 -4.846 -6.764 -3.150 29 HG21 THR 3 3HG2 THR 3 -3.321 -8.244 -0.623 30 HG22 THR 3 1HG2 THR 3 -3.803 -9.722 -1.459 31 HG23 THR 3 2HG2 THR 3 -4.635 -9.232 0.017 32 H THR 4 HN THR 4 -5.049 -9.554 -4.095 33 HA THR 4 HA THR 4 -5.491 -12.433 -3.785 34 HB THR 4 HB THR 4 -4.472 -12.550 -6.096 35 HG1 THR 4 1HG THR 4 -4.966 -9.757 -6.235 36 HG21 THR 4 3HG2 THR 4 -6.945 -10.844 -5.777 37 HG22 THR 4 1HG2 THR 4 -6.895 -12.605 -5.740 38 HG23 THR 4 2HG2 THR 4 -6.489 -11.743 -7.225 39 HA PRO 5 HA PRO 5 -1.404 -13.396 -2.347 40 HB2 PRO 5 2HB PRO 5 -0.864 -15.523 -4.066 41 HB3 PRO 5 1HB PRO 5 -1.712 -15.643 -2.524 42 HG2 PRO 5 2HG PRO 5 -2.821 -15.496 -5.289 43 HG3 PRO 5 1HG PRO 5 -3.388 -16.438 -3.899 44 HD2 PRO 5 2HD PRO 5 -4.644 -14.208 -4.657 45 HD3 PRO 5 1HD PRO 5 -4.459 -14.622 -2.940 46 H ASP 6 HN ASP 6 -2.042 -13.089 -5.766 47 HA ASP 6 HA ASP 6 0.535 -12.807 -6.781 48 HB2 ASP 6 2HB ASP 6 -1.492 -13.018 -8.158 49 HB3 ASP 6 1HB ASP 6 -1.979 -11.406 -7.661 50 H ILE 7 HN ILE 7 -1.678 -10.366 -5.481 51 HA ILE 7 HA ILE 7 0.042 -8.149 -5.777 52 HB ILE 7 HB ILE 7 -2.172 -8.585 -3.761 53 HG12 ILE 7 2HG1 ILE 7 -2.919 -8.750 -6.106 54 HG13 ILE 7 1HG1 ILE 7 -3.577 -7.325 -5.306 55 HG21 ILE 7 1HG2 ILE 7 -0.675 -6.802 -3.053 56 HG22 ILE 7 2HG2 ILE 7 -2.232 -6.145 -3.563 57 HG23 ILE 7 3HG2 ILE 7 -0.833 -6.026 -4.631 58 HD11 ILE 7 3HD1 ILE 7 -1.236 -7.359 -7.202 59 HD12 ILE 7 1HD1 ILE 7 -1.919 -5.935 -6.418 60 HD13 ILE 7 2HD1 ILE 7 -2.879 -6.842 -7.584 61 H LEU 8 HN LEU 8 -0.527 -10.395 -3.101 62 HA LEU 8 HA LEU 8 1.106 -9.217 -1.175 63 HB2 LEU 8 2HB LEU 8 0.550 -12.144 -1.654 64 HB3 LEU 8 1HB LEU 8 1.276 -11.493 -0.198 65 HG LEU 8 HG LEU 8 -1.507 -10.854 -1.184 66 HD11 LEU 8 1HD1 LEU 8 -2.264 -12.210 0.694 67 HD12 LEU 8 2HD1 LEU 8 -0.594 -12.614 1.090 68 HD13 LEU 8 3HD1 LEU 8 -1.300 -13.169 -0.429 69 HD21 LEU 8 3HD2 LEU 8 -0.463 -9.031 0.085 70 HD22 LEU 8 1HD2 LEU 8 -0.129 -10.149 1.407 71 HD23 LEU 8 2HD2 LEU 8 -1.796 -9.771 0.971 72 H ASP 9 HN ASP 9 1.900 -11.540 -3.720 73 HA ASP 9 HA ASP 9 4.614 -11.894 -3.051 74 HB2 ASP 9 2HB ASP 9 3.409 -13.368 -4.607 75 HB3 ASP 9 1HB ASP 9 3.303 -12.054 -5.771 76 H GLN 10 HN GLN 10 3.018 -9.675 -5.299 77 HA GLN 10 HA GLN 10 5.273 -8.339 -6.225 78 HB2 GLN 10 2HB GLN 10 2.459 -7.349 -5.773 79 HB3 GLN 10 1HB GLN 10 3.699 -6.389 -6.566 80 HG2 GLN 10 2HG GLN 10 3.928 -8.099 -8.288 81 HG3 GLN 10 1HG GLN 10 2.687 -9.063 -7.491 82 HE21 GLN 10 1HE2 GLN 10 0.559 -8.481 -7.673 83 HE22 GLN 10 2HE2 GLN 10 0.003 -7.272 -8.776 84 H ILE 11 HN ILE 11 3.466 -7.891 -3.224 85 HA ILE 11 HA ILE 11 4.713 -5.484 -2.423 86 HB ILE 11 HB ILE 11 3.514 -7.654 -0.690 87 HG12 ILE 11 2HG1 ILE 11 2.313 -5.070 -1.715 88 HG13 ILE 11 1HG1 ILE 11 1.954 -6.672 -2.348 89 HG21 ILE 11 1HG2 ILE 11 4.173 -4.787 -0.037 90 HG22 ILE 11 2HG2 ILE 11 4.991 -6.215 0.597 91 HG23 ILE 11 3HG2 ILE 11 3.304 -5.905 1.015 92 HD11 ILE 11 3HD1 ILE 11 1.083 -7.306 -0.124 93 HD12 ILE 11 1HD1 ILE 11 0.188 -5.992 -0.891 94 HD13 ILE 11 2HD1 ILE 11 1.333 -5.640 0.403 95 H ARG 12 HN ARG 12 5.453 -8.879 -1.581 96 HA ARG 12 HA ARG 12 7.653 -8.216 0.068 97 HB2 ARG 12 2HB ARG 12 8.279 -10.664 -0.222 98 HB3 ARG 12 1HB ARG 12 6.705 -10.322 0.478 99 HG2 ARG 12 2HG ARG 12 5.968 -11.835 -0.985 100 HG3 ARG 12 1HG ARG 12 6.076 -10.519 -2.154 101 HD2 ARG 12 2HD ARG 12 7.163 -12.348 -3.155 102 HD3 ARG 12 1HD ARG 12 8.454 -11.293 -2.581 103 HE ARG 12 HE ARG 12 8.778 -12.825 -0.730 104 HH11 ARG 12 1HH1 ARG 12 6.825 -13.999 -3.410 105 HH12 ARG 12 2HH1 ARG 12 7.086 -15.669 -3.004 106 HH21 ARG 12 1HH2 ARG 12 9.119 -15.023 -0.235 107 HH22 ARG 12 2HH2 ARG 12 8.377 -16.251 -1.222 108 H VAL 13 HN VAL 13 7.432 -8.979 -3.373 109 HA VAL 13 HA VAL 13 10.243 -8.991 -3.827 110 HB VAL 13 HB VAL 13 7.997 -8.417 -5.775 111 HG11 VAL 13 1HG1 VAL 13 10.118 -7.537 -6.590 112 HG12 VAL 13 2HG1 VAL 13 9.639 -8.960 -7.517 113 HG13 VAL 13 3HG1 VAL 13 10.894 -9.088 -6.284 114 HG21 VAL 13 3HG2 VAL 13 8.304 -10.743 -6.466 115 HG22 VAL 13 1HG2 VAL 13 7.853 -10.635 -4.764 116 HG23 VAL 13 2HG2 VAL 13 9.528 -10.954 -5.216 117 H HIS 14 HN HIS 14 7.737 -6.500 -4.092 118 HA HIS 14 HA HIS 14 9.370 -4.430 -5.074 119 HB2 HIS 14 2HB HIS 14 6.806 -4.547 -4.939 120 HB3 HIS 14 1HB HIS 14 6.984 -4.015 -3.273 121 HD1 HIS 14 1HD HIS 14 6.830 -1.561 -2.977 122 HD2 HIS 14 2HD HIS 14 8.119 -2.592 -6.794 123 HE1 HIS 14 1HE HIS 14 7.016 0.600 -4.238 124 HE2 HIS 14 2HE HIS 14 7.626 -0.059 -6.589 125 H GLY 15 HN GLY 15 8.761 -5.639 -1.848 126 HA2 GLY 15 2HA GLY 15 9.961 -3.517 -0.399 127 HA3 GLY 15 1HA GLY 15 9.718 -5.159 0.179 128 H ALA 16 HN ALA 16 11.260 -6.484 -1.814 129 HA ALA 16 HA ALA 16 13.871 -6.152 -0.693 130 HB1 ALA 16 1HB ALA 16 12.985 -7.813 -3.056 131 HB2 ALA 16 2HB ALA 16 13.042 -8.352 -1.378 132 HB3 ALA 16 3HB ALA 16 14.534 -7.939 -2.222 133 H ASP 17 HN ASP 17 12.274 -5.257 -3.671 134 HA ASP 17 HA ASP 17 14.475 -4.298 -5.136 135 HB2 ASP 17 2HB ASP 17 12.315 -4.666 -6.156 136 HB3 ASP 17 1HB ASP 17 11.577 -3.470 -5.114 137 H ALA 18 HN ALA 18 12.375 -2.813 -2.782 138 HA ALA 18 HA ALA 18 13.223 -0.150 -3.044 139 HB1 ALA 18 1HB ALA 18 12.164 -1.529 -0.581 140 HB2 ALA 18 2HB ALA 18 11.183 -0.812 -1.859 141 HB3 ALA 18 3HB ALA 18 12.217 0.211 -0.861 142 H TYR 19 HN TYR 19 14.362 -2.751 -0.940 143 HA TYR 19 HA TYR 19 16.222 -1.167 0.487 144 HB2 TYR 19 2HB TYR 19 15.696 -4.092 0.208 145 HB3 TYR 19 1HB TYR 19 17.227 -3.580 0.914 146 HD1 TYR 19 1HD TYR 19 13.561 -2.895 1.246 147 HD2 TYR 19 2HD TYR 19 17.324 -3.256 3.198 148 HE1 TYR 19 1HE TYR 19 12.459 -2.575 3.421 149 HE2 TYR 19 2HE TYR 19 16.231 -2.940 5.378 150 HH TYR 19 HH TYR 19 12.962 -3.213 5.849 151 HA PRO 20 HA PRO 20 18.421 -2.144 1.497 152 HB2 PRO 20 2HB PRO 20 20.621 -0.618 1.762 153 HB3 PRO 20 1HB PRO 20 20.698 -2.302 1.228 154 HG2 PRO 20 2HG PRO 20 20.774 0.206 -0.412 155 HG3 PRO 20 1HG PRO 20 21.790 -1.241 -0.537 156 HD2 PRO 20 2HD PRO 20 19.671 -0.788 -2.164 157 HD3 PRO 20 1HD PRO 20 20.191 -2.418 -1.693 158 H GLU 21 HN GLU 21 17.655 0.431 -0.526 159 HA GLU 21 HA GLU 21 17.634 2.525 1.430 160 HB2 GLU 21 2HB GLU 21 16.229 2.289 -1.235 161 HB3 GLU 21 1HB GLU 21 16.263 3.742 -0.246 162 HG2 GLU 21 2HG GLU 21 18.703 3.816 -0.464 163 HG3 GLU 21 1HG GLU 21 18.643 2.387 -1.497 164 H GLU 22 HN GLU 22 15.255 3.700 1.388 165 HA GLU 22 HA GLU 22 13.613 1.871 2.920 166 HB2 GLU 22 2HB GLU 22 13.352 4.840 2.411 167 HB3 GLU 22 1HB GLU 22 12.308 3.907 3.475 168 HG2 GLU 22 2HG GLU 22 14.174 3.385 4.918 169 HG3 GLU 22 1HG GLU 22 15.282 4.207 3.822 170 H GLY 23 HN GLY 23 11.514 1.308 2.445 171 HA2 GLY 23 2HA GLY 23 10.768 1.675 -0.374 172 HA3 GLY 23 1HA GLY 23 10.213 0.373 0.670 173 H CYS 24 HN CYS 24 8.420 0.625 1.870 174 HA CYS 24 HA CYS 24 6.435 1.444 2.582 175 HB2 CYS 24 2HB CYS 24 8.024 3.163 3.621 176 HB3 CYS 24 1HB CYS 24 7.580 4.223 2.289 177 HG CYS 24 HG CYS 24 4.905 2.995 3.845 178 H GLY 25 HN GLY 25 4.762 3.382 1.934 179 HA2 GLY 25 2HA GLY 25 4.395 4.616 -0.346 180 HA3 GLY 25 1HA GLY 25 4.362 2.958 -0.933 181 H PHE 26 HN PHE 26 2.176 3.929 -1.586 182 HA PHE 26 HA PHE 26 0.260 3.714 0.637 183 HB2 PHE 26 2HB PHE 26 -0.061 5.145 -2.013 184 HB3 PHE 26 1HB PHE 26 -1.262 5.081 -0.727 185 HD1 PHE 26 2HD PHE 26 -0.808 6.226 1.431 186 HD2 PHE 26 1HD PHE 26 1.724 6.685 -1.958 187 HE1 PHE 26 2HE PHE 26 0.171 8.246 2.440 188 HE2 PHE 26 1HE PHE 26 2.708 8.706 -0.958 189 HZ PHE 26 HZ PHE 26 1.931 9.490 1.244 190 H LEU 27 HN LEU 27 -1.657 2.566 0.323 191 HA LEU 27 HA LEU 27 -1.504 0.488 -1.742 192 HB2 LEU 27 2HB LEU 27 -3.321 0.695 0.665 193 HB3 LEU 27 1HB LEU 27 -3.198 -0.677 -0.416 194 HG LEU 27 HG LEU 27 -0.993 0.311 1.396 195 HD11 LEU 27 1HD1 LEU 27 -1.428 -1.735 2.663 196 HD12 LEU 27 2HD1 LEU 27 -2.796 -2.097 1.610 197 HD13 LEU 27 3HD1 LEU 27 -2.833 -0.671 2.648 198 HD21 LEU 27 3HD2 LEU 27 0.144 -1.752 0.765 199 HD22 LEU 27 1HD2 LEU 27 -0.151 -0.735 -0.643 200 HD23 LEU 27 2HD2 LEU 27 -1.168 -2.145 -0.346 201 H LEU 28 HN LEU 28 -2.686 0.723 -3.521 202 HA LEU 28 HA LEU 28 -4.888 2.672 -3.472 203 HB2 LEU 28 2HB LEU 28 -3.362 1.552 -5.829 204 HB3 LEU 28 1HB LEU 28 -4.614 2.776 -5.910 205 HG LEU 28 HG LEU 28 -1.931 3.088 -4.563 206 HD11 LEU 28 1HD1 LEU 28 -3.017 4.271 -7.113 207 HD12 LEU 28 2HD1 LEU 28 -1.761 3.040 -6.988 208 HD13 LEU 28 3HD1 LEU 28 -1.466 4.667 -6.373 209 HD21 LEU 28 3HD2 LEU 28 -2.566 5.423 -4.271 210 HD22 LEU 28 1HD2 LEU 28 -3.693 4.357 -3.432 211 HD23 LEU 28 2HD2 LEU 28 -4.152 5.090 -4.969 212 H GLY 29 HN GLY 29 -6.919 2.071 -3.865 213 HA2 GLY 29 2HA GLY 29 -7.752 -0.087 -5.426 214 HA3 GLY 29 1HA GLY 29 -7.644 -0.650 -3.764 215 H THR 30 HN THR 30 -9.841 -0.941 -3.513 216 HA THR 30 HA THR 30 -11.355 1.553 -3.202 217 HB THR 30 HB THR 30 -13.395 0.126 -4.001 218 HG1 THR 30 1HG THR 30 -11.818 -1.056 -5.880 219 HG21 THR 30 3HG2 THR 30 -11.369 1.234 -5.948 220 HG22 THR 30 1HG2 THR 30 -12.631 2.151 -5.125 221 HG23 THR 30 2HG2 THR 30 -13.065 0.916 -6.309 222 H VAL 31 HN VAL 31 -13.175 1.376 -1.732 223 HA VAL 31 HA VAL 31 -12.720 -0.587 0.369 224 HB VAL 31 HB VAL 31 -14.671 1.730 0.247 225 HG11 VAL 31 1HG1 VAL 31 -14.902 1.372 2.682 226 HG12 VAL 31 2HG1 VAL 31 -13.920 -0.087 2.536 227 HG13 VAL 31 3HG1 VAL 31 -15.487 0.002 1.737 228 HG21 VAL 31 3HG2 VAL 31 -12.044 1.444 1.700 229 HG22 VAL 31 1HG2 VAL 31 -13.140 2.819 1.819 230 HG23 VAL 31 2HG2 VAL 31 -12.343 2.458 0.287 231 H THR 32 HN THR 32 -13.915 -2.354 0.643 232 HA THR 32 HA THR 32 -16.339 -2.671 -0.997 233 HB THR 32 HB THR 32 -14.254 -4.844 -0.877 234 HG1 THR 32 1HG THR 32 -13.694 -2.546 -1.866 235 HG21 THR 32 3HG2 THR 32 -15.270 -5.454 -3.048 236 HG22 THR 32 1HG2 THR 32 -16.416 -4.130 -2.861 237 HG23 THR 32 2HG2 THR 32 -16.435 -5.479 -1.722 238 H ASP 33 HN ASP 33 -17.461 -4.782 -0.438 239 HA ASP 33 HA ASP 33 -18.193 -6.455 0.886 240 HB2 ASP 33 2HB ASP 33 -15.899 -7.099 1.300 241 HB3 ASP 33 1HB ASP 33 -15.733 -5.845 2.521 242 H ASP 34 HN ASP 34 -16.862 -4.702 3.620 243 HA ASP 34 HA ASP 34 -19.246 -3.217 4.142 244 HB2 ASP 34 2HB ASP 34 -19.879 -5.564 4.819 245 HB3 ASP 34 1HB ASP 34 -18.650 -5.466 6.071 246 H GLY 35 HN GLY 35 -16.956 -2.247 3.792 247 HA2 GLY 35 2HA GLY 35 -15.727 -0.559 4.906 248 HA3 GLY 35 1HA GLY 35 -16.083 -1.346 6.439 249 H ASP 36 HN ASP 36 -14.906 -3.028 3.611 250 HA ASP 36 HA ASP 36 -12.348 -3.451 5.008 251 HB2 ASP 36 2HB ASP 36 -13.960 -5.448 4.426 252 HB3 ASP 36 1HB ASP 36 -13.314 -5.254 2.805 253 H ASN 37 HN ASN 37 -10.531 -3.880 3.412 254 HA ASN 37 HA ASN 37 -10.719 -1.778 1.354 255 HB2 ASN 37 2HB ASN 37 -8.423 -2.468 3.192 256 HB3 ASN 37 1HB ASN 37 -8.278 -1.380 1.816 257 HD21 ASN 37 1HD2 ASN 37 -7.967 -0.943 4.718 258 HD22 ASN 37 2HD2 ASN 37 -9.036 0.367 5.101 259 H ARG 38 HN ARG 38 -10.430 -2.421 -0.615 260 HA ARG 38 HA ARG 38 -9.110 -4.985 -1.151 261 HB2 ARG 38 2HB ARG 38 -11.314 -4.919 -2.042 262 HB3 ARG 38 1HB ARG 38 -11.084 -3.302 -2.686 263 HG2 ARG 38 2HG ARG 38 -9.452 -4.233 -4.307 264 HG3 ARG 38 1HG ARG 38 -9.840 -5.848 -3.702 265 HD2 ARG 38 2HD ARG 38 -12.110 -5.647 -4.399 266 HD3 ARG 38 1HD ARG 38 -11.905 -3.937 -4.770 267 HE ARG 38 HE ARG 38 -10.176 -5.652 -6.312 268 HH11 ARG 38 1HH1 ARG 38 -13.362 -4.225 -6.084 269 HH12 ARG 38 2HH1 ARG 38 -13.692 -4.330 -7.788 270 HH21 ARG 38 1HH2 ARG 38 -10.587 -5.789 -8.581 271 HH22 ARG 38 2HH2 ARG 38 -12.111 -5.228 -9.209 272 H VAL 39 HN VAL 39 -7.001 -4.713 -1.518 273 HA VAL 39 HA VAL 39 -6.042 -2.274 -2.793 274 HB VAL 39 HB VAL 39 -4.476 -4.593 -1.641 275 HG11 VAL 39 1HG1 VAL 39 -3.544 -1.870 -2.560 276 HG12 VAL 39 2HG1 VAL 39 -3.211 -3.408 -3.359 277 HG13 VAL 39 3HG1 VAL 39 -2.547 -3.085 -1.758 278 HG21 VAL 39 3HG2 VAL 39 -4.019 -3.088 0.230 279 HG22 VAL 39 1HG2 VAL 39 -5.747 -3.389 0.058 280 HG23 VAL 39 2HG2 VAL 39 -5.058 -1.861 -0.494 281 H ALA 40 HN ALA 40 -5.780 -2.155 -4.900 282 HA ALA 40 HA ALA 40 -5.382 -4.657 -6.409 283 HB1 ALA 40 1HB ALA 40 -7.512 -3.545 -6.876 284 HB2 ALA 40 2HB ALA 40 -6.466 -3.569 -8.295 285 HB3 ALA 40 3HB ALA 40 -6.643 -2.088 -7.357 286 H ALA 41 HN ALA 41 -4.027 -1.566 -5.673 287 HA ALA 41 HA ALA 41 -1.871 -2.101 -7.585 288 HB1 ALA 41 1HB ALA 41 -3.209 0.590 -7.351 289 HB2 ALA 41 2HB ALA 41 -3.418 -0.542 -8.685 290 HB3 ALA 41 3HB ALA 41 -1.839 0.183 -8.384 291 H LEU 42 HN LEU 42 0.114 -1.033 -7.111 292 HA LEU 42 HA LEU 42 0.350 -0.110 -4.321 293 HB2 LEU 42 2HB LEU 42 2.352 -1.740 -5.896 294 HB3 LEU 42 1HB LEU 42 2.556 -1.178 -4.250 295 HG LEU 42 HG LEU 42 0.450 -3.154 -5.134 296 HD11 LEU 42 1HD1 LEU 42 3.040 -3.633 -3.664 297 HD12 LEU 42 2HD1 LEU 42 2.728 -4.057 -5.348 298 HD13 LEU 42 3HD1 LEU 42 1.819 -4.844 -4.056 299 HD21 LEU 42 3HD2 LEU 42 -0.210 -1.881 -3.176 300 HD22 LEU 42 1HD2 LEU 42 1.332 -2.238 -2.402 301 HD23 LEU 42 2HD2 LEU 42 0.186 -3.540 -2.723 302 H HIS 43 HN HIS 43 1.810 1.557 -3.926 303 HA HIS 43 HA HIS 43 3.349 2.665 -6.153 304 HB2 HIS 43 2HB HIS 43 1.157 3.806 -6.238 305 HB3 HIS 43 1HB HIS 43 1.335 4.276 -4.554 306 HD1 HIS 43 1HD HIS 43 2.330 5.209 -7.999 307 HD2 HIS 43 2HD HIS 43 3.275 6.339 -4.102 308 HE1 HIS 43 1HE HIS 43 3.522 7.416 -8.192 309 HE2 HIS 43 2HE HIS 43 4.210 8.010 -5.846 310 H ARG 44 HN ARG 44 5.361 3.096 -5.391 311 HA ARG 44 HA ARG 44 5.754 3.113 -2.515 312 HB2 ARG 44 2HB ARG 44 7.338 1.804 -3.795 313 HB3 ARG 44 1HB ARG 44 7.751 3.202 -4.780 314 HG2 ARG 44 2HG ARG 44 8.942 4.222 -3.073 315 HG3 ARG 44 1HG ARG 44 8.138 3.287 -1.817 316 HD2 ARG 44 2HD ARG 44 10.389 2.516 -2.008 317 HD3 ARG 44 1HD ARG 44 9.323 1.267 -2.641 318 HE ARG 44 HE ARG 44 9.963 2.120 -4.906 319 HH11 ARG 44 1HH1 ARG 44 12.068 2.678 -2.148 320 HH12 ARG 44 2HH1 ARG 44 13.523 2.672 -3.100 321 HH21 ARG 44 1HH2 ARG 44 11.881 2.107 -6.147 322 HH22 ARG 44 2HH2 ARG 44 13.412 2.354 -5.365 323 H ALA 45 HN ALA 45 6.068 4.826 -1.305 324 HA ALA 45 HA ALA 45 5.964 7.455 -2.501 325 HB1 ALA 45 1HB ALA 45 5.846 8.259 -0.191 326 HB2 ALA 45 2HB ALA 45 6.139 6.621 0.395 327 HB3 ALA 45 3HB ALA 45 4.659 6.989 -0.489 328 H THR 46 HN THR 46 7.844 8.024 -3.440 329 HA THR 46 HA THR 46 10.275 7.826 -1.786 330 HB THR 46 HB THR 46 10.668 8.022 -4.677 331 HG1 THR 46 1HG THR 46 8.884 6.292 -3.909 332 HG21 THR 46 3HG2 THR 46 12.516 7.749 -3.107 333 HG22 THR 46 1HG2 THR 46 12.420 6.369 -4.204 334 HG23 THR 46 2HG2 THR 46 11.825 6.225 -2.550 335 H ASN 47 HN ASN 47 10.238 9.869 -1.019 336 HA ASN 47 HA ASN 47 9.908 12.086 -2.869 337 HB2 ASN 47 2HB ASN 47 10.368 13.373 -0.562 338 HB3 ASN 47 1HB ASN 47 8.778 12.786 -1.030 339 HD21 ASN 47 1HD2 ASN 47 7.990 10.883 -0.108 340 HD22 ASN 47 2HD2 ASN 47 8.590 10.322 1.424 341 H ARG 48 HN ARG 48 11.812 11.384 -3.983 342 HA ARG 48 HA ARG 48 14.313 12.323 -2.760 343 HB2 ARG 48 2HB ARG 48 13.724 10.589 -5.160 344 HB3 ARG 48 1HB ARG 48 15.313 11.278 -4.874 345 HG2 ARG 48 2HG ARG 48 13.882 9.472 -2.942 346 HG3 ARG 48 1HG ARG 48 15.066 8.928 -4.132 347 HD2 ARG 48 2HD ARG 48 16.555 10.786 -3.036 348 HD3 ARG 48 1HD ARG 48 15.454 10.571 -1.674 349 HE ARG 48 HE ARG 48 16.166 8.041 -2.218 350 HH11 ARG 48 1HH1 ARG 48 18.041 10.971 -1.780 351 HH12 ARG 48 2HH1 ARG 48 19.450 10.132 -1.194 352 HH21 ARG 48 1HH2 ARG 48 18.046 6.924 -1.511 353 HH22 ARG 48 2HH2 ARG 48 19.457 7.838 -1.066 354 H ARG 49 HN ARG 49 12.589 12.431 -5.871 355 HA ARG 49 HA ARG 49 13.938 14.997 -6.430 356 HB2 ARG 49 2HB ARG 49 12.823 13.083 -8.482 357 HB3 ARG 49 1HB ARG 49 13.911 14.438 -8.752 358 HG2 ARG 49 2HG ARG 49 15.678 13.272 -7.546 359 HG3 ARG 49 1HG ARG 49 14.586 11.919 -7.248 360 HD2 ARG 49 2HD ARG 49 14.344 11.705 -9.739 361 HD3 ARG 49 1HD ARG 49 15.648 12.881 -9.895 362 HE ARG 49 HE ARG 49 16.151 10.479 -8.302 363 HH11 ARG 49 1HH1 ARG 49 16.701 12.307 -11.241 364 HH12 ARG 49 2HH1 ARG 49 17.999 11.282 -11.782 365 HH21 ARG 49 1HH2 ARG 49 17.872 9.156 -8.994 366 HH22 ARG 49 2HH2 ARG 49 18.663 9.488 -10.501 367 H SER 50 HN SER 50 10.917 13.375 -6.115 368 HA SER 50 HA SER 50 9.378 15.284 -7.627 369 HB2 SER 50 2HB SER 50 8.810 12.825 -7.346 370 HB3 SER 50 1HB SER 50 8.343 13.204 -5.688 371 HG SER 50 HG SER 50 6.709 14.482 -6.442 372 H GLU 51 HN GLU 51 10.938 16.478 -5.573 373 HA GLU 51 HA GLU 51 9.189 17.114 -3.363 374 HB2 GLU 51 2HB GLU 51 11.643 16.901 -3.078 375 HB3 GLU 51 1HB GLU 51 11.871 18.275 -4.142 376 HG2 GLU 51 2HG GLU 51 10.220 18.583 -1.678 377 HG3 GLU 51 1HG GLU 51 11.977 18.562 -1.560 378 H GLN 52 HN GLN 52 10.931 19.184 -5.651 379 HA GLN 52 HA GLN 52 9.092 21.351 -5.260 380 HB2 GLN 52 2HB GLN 52 10.522 22.548 -6.865 381 HB3 GLN 52 1HB GLN 52 11.463 21.788 -5.589 382 HG2 GLN 52 2HG GLN 52 12.095 19.990 -7.079 383 HG3 GLN 52 1HG GLN 52 11.075 20.656 -8.353 384 HE21 GLN 52 1HE2 GLN 52 12.782 20.875 -9.765 385 HE22 GLN 52 2HE2 GLN 52 14.003 22.085 -9.571 386 H ARG 53 HN ARG 53 8.125 18.823 -6.574 387 HA ARG 53 HA ARG 53 7.708 19.317 -9.332 388 HB2 ARG 53 2HB ARG 53 7.538 17.068 -8.351 389 HB3 ARG 53 1HB ARG 53 6.124 17.571 -7.432 390 HG2 ARG 53 2HG ARG 53 4.953 18.016 -9.569 391 HG3 ARG 53 1HG ARG 53 6.351 17.368 -10.427 392 HD2 ARG 53 2HD ARG 53 6.049 15.227 -9.249 393 HD3 ARG 53 1HD ARG 53 4.616 15.884 -8.456 394 HE ARG 53 HE ARG 53 4.763 15.753 -11.394 395 HH11 ARG 53 1HH1 ARG 53 3.217 14.858 -8.361 396 HH12 ARG 53 2HH1 ARG 53 1.835 14.137 -9.149 397 HH21 ARG 53 1HH2 ARG 53 2.956 14.787 -12.413 398 HH22 ARG 53 2HH2 ARG 53 1.713 14.052 -11.441 399 H THR 54 HN THR 54 5.379 19.413 -6.648 400 HA THR 54 HA THR 54 3.658 21.128 -8.284 401 HB THR 54 HB THR 54 2.927 19.756 -5.698 402 HG1 THR 54 1HG THR 54 2.739 17.934 -6.768 403 HG21 THR 54 3HG2 THR 54 1.270 20.749 -8.024 404 HG22 THR 54 1HG2 THR 54 1.393 21.510 -6.439 405 HG23 THR 54 2HG2 THR 54 0.646 19.921 -6.597 406 H ARG 55 HN ARG 55 5.438 21.024 -5.285 407 HA ARG 55 HA ARG 55 5.176 23.844 -4.876 408 HB2 ARG 55 2HB ARG 55 4.048 23.733 -2.710 409 HB3 ARG 55 1HB ARG 55 3.015 23.054 -3.960 410 HG2 ARG 55 2HG ARG 55 3.780 20.785 -3.261 411 HG3 ARG 55 1HG ARG 55 4.628 21.548 -1.915 412 HD2 ARG 55 2HD ARG 55 2.490 20.717 -1.160 413 HD3 ARG 55 1HD ARG 55 2.483 22.480 -1.133 414 HE ARG 55 HE ARG 55 1.305 22.240 -3.384 415 HH11 ARG 55 1HH1 ARG 55 0.983 19.926 -0.760 416 HH12 ARG 55 2HH1 ARG 55 -0.590 19.394 -1.276 417 HH21 ARG 55 1HH2 ARG 55 -0.758 21.537 -4.047 418 HH22 ARG 55 2HH2 ARG 55 -1.585 20.301 -3.130 419 H ARG 56 HN ARG 56 6.106 24.232 -2.447 420 HA ARG 56 HA ARG 56 8.604 22.787 -2.279 421 HB2 ARG 56 2HB ARG 56 8.369 25.232 -1.742 422 HB3 ARG 56 1HB ARG 56 7.419 24.781 -0.334 423 HG2 ARG 56 2HG ARG 56 9.315 23.635 0.627 424 HG3 ARG 56 1HG ARG 56 10.274 23.960 -0.819 425 HD2 ARG 56 2HD ARG 56 9.154 25.999 1.099 426 HD3 ARG 56 1HD ARG 56 10.847 25.544 0.919 427 HE ARG 56 HE ARG 56 10.294 26.369 -1.551 428 HH11 ARG 56 1HH1 ARG 56 9.502 27.823 1.538 429 HH12 ARG 56 2HH1 ARG 56 9.515 29.448 0.921 430 HH21 ARG 56 1HH2 ARG 56 10.303 28.475 -2.374 431 HH22 ARG 56 2HH2 ARG 56 9.985 29.824 -1.318 432 H TYR 57 HN TYR 57 9.068 21.128 -0.908 433 HA TYR 57 HA TYR 57 7.021 19.490 -0.032 434 HB2 TYR 57 2HB TYR 57 8.673 18.134 1.029 435 HB3 TYR 57 1HB TYR 57 9.402 18.813 -0.418 436 HD1 TYR 57 2HD TYR 57 10.931 20.871 -0.106 437 HD2 TYR 57 1HD TYR 57 9.704 18.359 3.100 438 HE1 TYR 57 2HE TYR 57 12.811 21.696 1.250 439 HE2 TYR 57 1HE TYR 57 11.573 19.174 4.466 440 HH TYR 57 HH TYR 57 13.759 20.189 4.162 441 H GLU 58 HN GLU 58 8.839 21.857 1.808 442 HA GLU 58 HA GLU 58 8.751 22.752 3.845 443 HB2 GLU 58 2HB GLU 58 6.669 23.491 4.721 444 HB3 GLU 58 1HB GLU 58 6.583 23.581 2.972 445 HG2 GLU 58 2HG GLU 58 5.224 21.584 2.909 446 HG3 GLU 58 1HG GLU 58 5.370 21.403 4.656 447 H LEU 59 HN LEU 59 6.836 19.780 3.842 448 HA LEU 59 HA LEU 59 8.356 18.677 5.992 449 HB2 LEU 59 2HB LEU 59 6.686 20.258 7.121 450 HB3 LEU 59 1HB LEU 59 5.429 19.180 6.556 451 HG LEU 59 HG LEU 59 7.674 18.182 8.294 452 HD11 LEU 59 1HD1 LEU 59 5.058 19.395 9.175 453 HD12 LEU 59 2HD1 LEU 59 6.672 20.035 9.486 454 HD13 LEU 59 3HD1 LEU 59 6.172 18.510 10.217 455 HD21 LEU 59 3HD2 LEU 59 6.298 16.506 7.153 456 HD22 LEU 59 1HD2 LEU 59 4.845 17.226 7.847 457 HD23 LEU 59 2HD2 LEU 59 6.042 16.469 8.898 458 H THR 60 HN THR 60 5.364 18.620 4.126 459 HA THR 60 HA THR 60 5.263 15.725 4.082 460 HB THR 60 HB THR 60 3.275 16.119 2.581 461 HG1 THR 60 1HG THR 60 4.328 18.496 2.325 462 HG21 THR 60 3HG2 THR 60 3.263 17.564 5.237 463 HG22 THR 60 1HG2 THR 60 2.999 15.837 4.995 464 HG23 THR 60 2HG2 THR 60 1.837 17.003 4.366 465 H ALA 61 HN ALA 61 4.461 15.101 1.563 466 HA ALA 61 HA ALA 61 6.363 16.236 -0.336 467 HB1 ALA 61 1HB ALA 61 6.168 13.273 0.207 468 HB2 ALA 61 2HB ALA 61 7.535 14.312 0.615 469 HB3 ALA 61 3HB ALA 61 7.115 14.029 -1.075 470 H ASP 62 HN ASP 62 5.930 15.128 -2.574 471 HA ASP 62 HA ASP 62 3.096 15.594 -3.036 472 HB2 ASP 62 2HB ASP 62 4.849 16.748 -4.389 473 HB3 ASP 62 1HB ASP 62 5.322 15.188 -5.048 474 H ASP 63 HN ASP 63 4.810 12.930 -2.277 475 HA ASP 63 HA ASP 63 4.199 11.022 -4.225 476 HB2 ASP 63 2HB ASP 63 4.491 10.654 -1.241 477 HB3 ASP 63 1HB ASP 63 4.408 9.334 -2.400 478 H TYR 64 HN TYR 64 2.272 12.253 -1.549 479 HA TYR 64 HA TYR 64 0.205 10.348 -1.688 480 HB2 TYR 64 2HB TYR 64 0.426 11.866 0.222 481 HB3 TYR 64 1HB TYR 64 0.063 13.245 -0.814 482 HD1 TYR 64 2HD TYR 64 -1.350 10.174 0.684 483 HD2 TYR 64 1HD TYR 64 -2.188 13.814 -1.360 484 HE1 TYR 64 2HE TYR 64 -3.750 9.858 1.115 485 HE2 TYR 64 1HE TYR 64 -4.591 13.506 -0.933 486 HH TYR 64 HH TYR 64 -6.130 11.488 -0.507 487 H ARG 65 HN ARG 65 0.619 13.488 -3.292 488 HA ARG 65 HA ARG 65 -1.872 13.481 -4.615 489 HB2 ARG 65 2HB ARG 65 0.725 14.889 -5.188 490 HB3 ARG 65 1HB ARG 65 -0.705 15.110 -6.178 491 HG2 ARG 65 2HG ARG 65 -1.908 15.826 -4.089 492 HG3 ARG 65 1HG ARG 65 -0.331 15.836 -3.292 493 HD2 ARG 65 2HD ARG 65 -0.879 18.062 -4.065 494 HD3 ARG 65 1HD ARG 65 0.489 17.425 -4.976 495 HE ARG 65 HE ARG 65 -2.233 17.846 -5.976 496 HH11 ARG 65 1HH1 ARG 65 1.080 16.871 -6.573 497 HH12 ARG 65 2HH1 ARG 65 0.932 16.983 -8.300 498 HH21 ARG 65 1HH2 ARG 65 -2.433 17.987 -8.266 499 HH22 ARG 65 2HH2 ARG 65 -1.060 17.595 -9.264 500 H ALA 66 HN ALA 66 1.366 12.416 -5.595 501 HA ALA 66 HA ALA 66 0.693 11.684 -8.227 502 HB1 ALA 66 1HB ALA 66 2.849 10.534 -6.459 503 HB2 ALA 66 2HB ALA 66 3.005 11.966 -7.476 504 HB3 ALA 66 3HB ALA 66 2.757 10.382 -8.214 505 H ALA 67 HN ALA 67 0.501 9.943 -5.174 506 HA ALA 67 HA ALA 67 -0.206 7.427 -6.303 507 HB1 ALA 67 1HB ALA 67 -0.925 6.838 -4.040 508 HB2 ALA 67 2HB ALA 67 -0.790 8.527 -3.553 509 HB3 ALA 67 3HB ALA 67 0.651 7.625 -4.020 510 H ASP 68 HN ASP 68 -2.010 10.217 -5.142 511 HA ASP 68 HA ASP 68 -4.601 9.103 -5.409 512 HB2 ASP 68 2HB ASP 68 -4.147 11.101 -4.052 513 HB3 ASP 68 1HB ASP 68 -3.725 11.998 -5.503 514 H ALA 69 HN ALA 69 -2.599 11.082 -7.551 515 HA ALA 69 HA ALA 69 -4.456 11.411 -9.626 516 HB1 ALA 69 1HB ALA 69 -2.426 12.735 -9.487 517 HB2 ALA 69 2HB ALA 69 -2.510 11.904 -11.041 518 HB3 ALA 69 3HB ALA 69 -1.448 11.294 -9.772 519 H ALA 70 HN ALA 70 -1.853 8.993 -9.278 520 HA ALA 70 HA ALA 70 -2.523 7.492 -11.568 521 HB1 ALA 70 1HB ALA 70 -0.377 7.272 -10.394 522 HB2 ALA 70 2HB ALA 70 -1.179 5.713 -10.580 523 HB3 ALA 70 3HB ALA 70 -1.204 6.536 -9.020 524 H ALA 71 HN ALA 71 -3.722 7.436 -8.269 525 HA ALA 71 HA ALA 71 -5.266 5.091 -8.452 526 HB1 ALA 71 1HB ALA 71 -4.787 6.165 -6.319 527 HB2 ALA 71 2HB ALA 71 -6.526 5.986 -6.554 528 HB3 ALA 71 3HB ALA 71 -5.763 7.559 -6.788 529 H GLN 72 HN GLN 72 -6.126 8.511 -9.016 530 HA GLN 72 HA GLN 72 -8.774 8.109 -9.830 531 HB2 GLN 72 2HB GLN 72 -6.827 10.201 -10.820 532 HB3 GLN 72 1HB GLN 72 -8.568 10.254 -11.036 533 HG2 GLN 72 2HG GLN 72 -8.747 10.241 -8.516 534 HG3 GLN 72 1HG GLN 72 -7.004 10.519 -8.491 535 HE21 GLN 72 1HE2 GLN 72 -7.131 12.545 -7.590 536 HE22 GLN 72 2HE2 GLN 72 -7.780 13.915 -8.442 537 H GLU 73 HN GLU 73 -5.767 8.049 -11.676 538 HA GLU 73 HA GLU 73 -6.777 7.688 -14.235 539 HB2 GLU 73 2HB GLU 73 -4.258 6.648 -12.945 540 HB3 GLU 73 1HB GLU 73 -4.578 6.540 -14.659 541 HG2 GLU 73 2HG GLU 73 -4.804 9.046 -14.662 542 HG3 GLU 73 1HG GLU 73 -4.176 9.009 -13.015 543 H GLN 74 HN GLN 74 -6.182 5.361 -11.689 544 HA GLN 74 HA GLN 74 -6.910 3.114 -13.353 545 HB2 GLN 74 2HB GLN 74 -6.172 3.362 -10.442 546 HB3 GLN 74 1HB GLN 74 -6.565 1.836 -11.216 547 HG2 GLN 74 2HG GLN 74 -4.669 1.943 -12.616 548 HG3 GLN 74 1HG GLN 74 -4.370 3.629 -12.202 549 HE21 GLN 74 1HE2 GLN 74 -4.807 3.288 -9.377 550 HE22 GLN 74 2HE2 GLN 74 -3.448 2.424 -8.765 551 H GLY 75 HN GLY 75 -8.530 5.315 -11.304 552 HA2 GLY 75 2HA GLY 75 -10.839 5.442 -10.924 553 HA3 GLY 75 1HA GLY 75 -11.003 3.795 -11.522 554 H LEU 76 HN LEU 76 -8.651 4.686 -9.139 555 HA LEU 76 HA LEU 76 -10.162 3.229 -7.069 556 HB2 LEU 76 2HB LEU 76 -7.177 3.183 -7.543 557 HB3 LEU 76 1HB LEU 76 -8.033 2.320 -6.284 558 HG LEU 76 HG LEU 76 -8.356 1.801 -9.242 559 HD11 LEU 76 1HD1 LEU 76 -6.130 1.188 -8.437 560 HD12 LEU 76 2HD1 LEU 76 -7.093 -0.237 -8.831 561 HD13 LEU 76 3HD1 LEU 76 -6.860 0.233 -7.148 562 HD21 LEU 76 3HD2 LEU 76 -10.352 1.255 -7.937 563 HD22 LEU 76 1HD2 LEU 76 -9.372 0.283 -6.839 564 HD23 LEU 76 2HD2 LEU 76 -9.553 -0.204 -8.525 565 H ASP 77 HN ASP 77 -9.007 3.682 -4.841 566 HA ASP 77 HA ASP 77 -7.880 6.375 -4.740 567 HB2 ASP 77 2HB ASP 77 -9.270 7.012 -2.845 568 HB3 ASP 77 1HB ASP 77 -10.280 6.634 -4.232 569 H VAL 78 HN VAL 78 -7.312 6.722 -2.202 570 HA VAL 78 HA VAL 78 -5.403 4.605 -1.673 571 HB VAL 78 HB VAL 78 -5.827 7.160 -0.109 572 HG11 VAL 78 1HG1 VAL 78 -3.519 6.778 0.634 573 HG12 VAL 78 2HG1 VAL 78 -3.488 5.262 -0.265 574 HG13 VAL 78 3HG1 VAL 78 -4.589 5.454 1.099 575 HG21 VAL 78 3HG2 VAL 78 -3.940 8.067 -1.414 576 HG22 VAL 78 1HG2 VAL 78 -5.342 7.712 -2.424 577 HG23 VAL 78 2HG2 VAL 78 -3.960 6.619 -2.419 578 H VAL 79 HN VAL 79 -6.096 2.889 -0.596 579 HA VAL 79 HA VAL 79 -8.180 3.238 1.438 580 HB VAL 79 HB VAL 79 -8.492 0.786 1.279 581 HG11 VAL 79 1HG1 VAL 79 -9.542 0.801 -0.945 582 HG12 VAL 79 2HG1 VAL 79 -8.688 2.295 -1.327 583 HG13 VAL 79 3HG1 VAL 79 -9.890 2.273 -0.036 584 HG21 VAL 79 3HG2 VAL 79 -7.464 -0.426 -0.602 585 HG22 VAL 79 1HG2 VAL 79 -6.261 0.136 0.558 586 HG23 VAL 79 2HG2 VAL 79 -6.484 0.992 -0.968 587 H GLY 80 HN GLY 80 -4.851 2.786 1.185 588 HA2 GLY 80 2HA GLY 80 -4.558 2.513 3.995 589 HA3 GLY 80 1HA GLY 80 -4.253 0.979 3.199 590 H VAL 81 HN VAL 81 -2.204 1.591 4.441 591 HA VAL 81 HA VAL 81 -0.304 2.723 2.504 592 HB VAL 81 HB VAL 81 -0.008 3.256 5.454 593 HG11 VAL 81 1HG1 VAL 81 1.197 4.570 3.034 594 HG12 VAL 81 2HG1 VAL 81 2.005 3.446 4.127 595 HG13 VAL 81 3HG1 VAL 81 1.501 5.034 4.707 596 HG21 VAL 81 3HG2 VAL 81 -0.852 5.538 5.113 597 HG22 VAL 81 1HG2 VAL 81 -2.102 4.331 4.807 598 HG23 VAL 81 2HG2 VAL 81 -1.288 5.120 3.456 599 H TYR 82 HN TYR 82 1.882 1.849 2.864 600 HA TYR 82 HA TYR 82 1.990 -0.356 4.775 601 HB2 TYR 82 2HB TYR 82 2.708 -1.990 3.274 602 HB3 TYR 82 1HB TYR 82 1.422 -1.177 2.400 603 HD1 TYR 82 2HD TYR 82 2.007 0.379 0.522 604 HD2 TYR 82 1HD TYR 82 4.928 -2.030 2.462 605 HE1 TYR 82 2HE TYR 82 3.533 0.702 -1.380 606 HE2 TYR 82 1HE TYR 82 6.459 -1.713 0.569 607 HH TYR 82 HH TYR 82 6.115 0.648 -1.685 608 H HIS 83 HN HIS 83 3.974 -0.734 5.670 609 HA HIS 83 HA HIS 83 6.127 1.119 4.888 610 HB2 HIS 83 2HB HIS 83 4.722 1.872 6.921 611 HB3 HIS 83 1HB HIS 83 5.462 0.524 7.776 612 HD1 HIS 83 1HD HIS 83 6.565 2.271 9.409 613 HD2 HIS 83 2HD HIS 83 7.798 2.559 5.439 614 HE1 HIS 83 1HE HIS 83 8.628 3.709 9.433 615 HE2 HIS 83 2HE HIS 83 9.290 3.974 7.014 616 H SER 84 HN SER 84 8.242 0.341 5.312 617 HA SER 84 HA SER 84 8.320 -2.572 5.605 618 HB2 SER 84 2HB SER 84 10.604 -2.262 4.493 619 HB3 SER 84 1HB SER 84 9.193 -1.906 3.494 620 HG SER 84 HG SER 84 11.023 -0.130 4.699 621 H HIS 85 HN HIS 85 9.297 -3.464 7.302 622 HA HIS 85 HA HIS 85 10.886 -1.709 9.061 623 HB2 HIS 85 2HB HIS 85 9.205 -4.145 9.653 624 HB3 HIS 85 1HB HIS 85 10.410 -3.554 10.789 625 HD1 HIS 85 1HD HIS 85 8.327 -3.212 12.418 626 HD2 HIS 85 2HD HIS 85 8.443 -0.733 9.076 627 HE1 HIS 85 1HE HIS 85 6.691 -1.359 12.887 628 HE2 HIS 85 2HE HIS 85 6.914 0.223 10.939 629 HA PRO 86 HA PRO 86 14.312 -4.445 8.233 630 HB2 PRO 86 2HB PRO 86 15.750 -3.307 10.447 631 HB3 PRO 86 1HB PRO 86 15.960 -2.975 8.727 632 HG2 PRO 86 2HG PRO 86 14.999 -1.152 10.554 633 HG3 PRO 86 1HG PRO 86 14.684 -1.090 8.812 634 HD2 PRO 86 2HD PRO 86 12.939 -2.107 11.021 635 HD3 PRO 86 1HD PRO 86 12.499 -1.176 9.571 636 H ASP 87 HN ASP 87 13.804 -6.492 8.837 637 HA ASP 87 HA ASP 87 13.791 -8.406 10.046 638 HB2 ASP 87 2HB ASP 87 15.972 -7.170 10.948 639 HB3 ASP 87 1HB ASP 87 15.017 -7.044 12.419 640 H HIS 88 HN HIS 88 13.437 -8.748 12.810 641 HA HIS 88 HA HIS 88 11.972 -8.665 14.551 642 HB2 HIS 88 2HB HIS 88 11.146 -6.033 13.307 643 HB3 HIS 88 1HB HIS 88 10.594 -6.610 14.877 644 HD1 HIS 88 1HD HIS 88 13.478 -4.994 13.177 645 HD2 HIS 88 2HD HIS 88 12.607 -6.638 16.900 646 HE1 HIS 88 1HE HIS 88 15.318 -4.227 14.710 647 HE2 HIS 88 2HE HIS 88 14.753 -5.199 16.967 648 HA PRO 89 HA PRO 89 8.301 -10.664 13.357 649 HB2 PRO 89 2HB PRO 89 6.697 -9.357 15.443 650 HB3 PRO 89 1HB PRO 89 7.174 -11.049 15.284 651 HG2 PRO 89 2HG PRO 89 8.242 -9.464 17.160 652 HG3 PRO 89 1HG PRO 89 9.197 -10.717 16.346 653 HD2 PRO 89 2HD PRO 89 9.123 -7.763 15.840 654 HD3 PRO 89 1HD PRO 89 10.523 -8.855 15.926 655 H ALA 90 HN ALA 90 8.418 -7.430 12.850 656 HA ALA 90 HA ALA 90 7.363 -6.101 11.353 657 HB1 ALA 90 1HB ALA 90 5.467 -8.378 10.815 658 HB2 ALA 90 2HB ALA 90 7.036 -8.181 10.040 659 HB3 ALA 90 3HB ALA 90 5.774 -6.975 9.790 660 H ARG 91 HN ARG 91 6.271 -6.782 14.228 661 HA ARG 91 HA ARG 91 3.613 -5.680 14.022 662 HB2 ARG 91 2HB ARG 91 5.336 -6.099 16.465 663 HB3 ARG 91 1HB ARG 91 3.635 -5.670 16.479 664 HG2 ARG 91 2HG ARG 91 3.217 -7.830 15.241 665 HG3 ARG 91 1HG ARG 91 4.890 -8.254 15.614 666 HD2 ARG 91 2HD ARG 91 4.348 -7.829 18.029 667 HD3 ARG 91 1HD ARG 91 2.657 -7.690 17.555 668 HE ARG 91 HE ARG 91 4.265 -10.137 17.179 669 HH11 ARG 91 1HH1 ARG 91 1.258 -8.536 18.000 670 HH12 ARG 91 2HH1 ARG 91 0.410 -10.020 18.342 671 HH21 ARG 91 1HH2 ARG 91 3.184 -12.082 17.624 672 HH22 ARG 91 2HH2 ARG 91 1.508 -12.053 18.108 673 HA PRO 92 HA PRO 92 4.479 -1.396 13.954 674 HB2 PRO 92 2HB PRO 92 2.848 -0.438 15.980 675 HB3 PRO 92 1HB PRO 92 2.325 -0.788 14.331 676 HG2 PRO 92 2HG PRO 92 2.092 -2.467 16.792 677 HG3 PRO 92 1HG PRO 92 0.919 -2.226 15.483 678 HD2 PRO 92 2HD PRO 92 2.389 -4.453 15.624 679 HD3 PRO 92 1HD PRO 92 2.027 -3.691 14.058 680 H SER 93 HN SER 93 5.876 0.050 14.773 681 HA SER 93 HA SER 93 7.053 -0.492 17.399 682 HB2 SER 93 2HB SER 93 8.037 1.329 15.186 683 HB3 SER 93 1HB SER 93 8.922 0.884 16.646 684 HG SER 93 HG SER 93 9.236 -0.324 14.486 685 H ALA 94 HN ALA 94 7.842 1.761 18.456 686 HA ALA 94 HA ALA 94 5.381 2.851 19.347 687 HB1 ALA 94 1HB ALA 94 7.345 2.623 20.795 688 HB2 ALA 94 2HB ALA 94 6.719 4.270 20.785 689 HB3 ALA 94 3HB ALA 94 8.168 3.873 19.863 690 H THR 95 HN THR 95 8.023 4.368 17.458 691 HA THR 95 HA THR 95 6.469 6.776 17.079 692 HB THR 95 HB THR 95 8.965 5.970 15.563 693 HG1 THR 95 1HG THR 95 9.938 7.381 17.298 694 HG21 THR 95 3HG2 THR 95 9.286 8.390 15.361 695 HG22 THR 95 1HG2 THR 95 7.793 8.664 16.259 696 HG23 THR 95 2HG2 THR 95 7.739 7.896 14.672 697 H ASP 96 HN ASP 96 7.235 3.865 15.348 698 HA ASP 96 HA ASP 96 6.297 4.460 12.794 699 HB2 ASP 96 2HB ASP 96 7.537 2.411 13.432 700 HB3 ASP 96 1HB ASP 96 6.115 1.833 14.287 701 H LEU 97 HN LEU 97 4.582 3.307 15.655 702 HA LEU 97 HA LEU 97 1.995 3.243 14.483 703 HB2 LEU 97 2HB LEU 97 2.795 2.078 16.601 704 HB3 LEU 97 1HB LEU 97 2.651 3.627 17.402 705 HG LEU 97 HG LEU 97 0.303 2.338 16.025 706 HD11 LEU 97 1HD1 LEU 97 1.205 1.987 18.880 707 HD12 LEU 97 2HD1 LEU 97 1.150 0.738 17.637 708 HD13 LEU 97 3HD1 LEU 97 -0.347 1.459 18.227 709 HD21 LEU 97 3HD2 LEU 97 -0.989 3.710 17.589 710 HD22 LEU 97 1HD2 LEU 97 0.064 4.705 16.582 711 HD23 LEU 97 2HD2 LEU 97 0.508 4.364 18.255 712 H GLU 98 HN GLU 98 3.787 5.667 16.331 713 HA GLU 98 HA GLU 98 1.669 7.463 16.717 714 HB2 GLU 98 2HB GLU 98 4.649 7.927 16.648 715 HB3 GLU 98 1HB GLU 98 3.487 9.162 17.108 716 HG2 GLU 98 2HG GLU 98 2.693 7.709 18.922 717 HG3 GLU 98 1HG GLU 98 3.922 6.524 18.487 718 H GLU 99 HN GLU 99 3.683 6.933 13.933 719 HA GLU 99 HA GLU 99 3.041 9.437 12.682 720 HB2 GLU 99 2HB GLU 99 4.311 6.903 11.658 721 HB3 GLU 99 1HB GLU 99 4.025 8.305 10.634 722 HG2 GLU 99 2HG GLU 99 5.640 8.401 13.169 723 HG3 GLU 99 1HG GLU 99 6.336 8.102 11.577 724 H ALA 100 HN ALA 100 1.272 6.637 13.186 725 HA ALA 100 HA ALA 100 -0.281 6.859 10.723 726 HB1 ALA 100 1HB ALA 100 0.284 4.629 11.568 727 HB2 ALA 100 2HB ALA 100 -1.458 4.888 11.502 728 HB3 ALA 100 3HB ALA 100 -0.613 4.968 13.050 729 H THR 101 HN THR 101 -1.861 8.324 10.640 730 HA THR 101 HA THR 101 -3.357 8.910 13.110 731 HB THR 101 HB THR 101 -2.825 11.030 11.059 732 HG1 THR 101 1HG THR 101 -0.983 9.804 12.633 733 HG21 THR 101 3HG2 THR 101 -4.504 11.443 12.818 734 HG22 THR 101 1HG2 THR 101 -3.112 12.517 12.980 735 HG23 THR 101 2HG2 THR 101 -3.280 11.121 14.047 736 H PHE 102 HN PHE 102 -3.769 7.353 10.417 737 HA PHE 102 HA PHE 102 -6.334 8.620 9.732 738 HB2 PHE 102 2HB PHE 102 -4.533 6.945 7.976 739 HB3 PHE 102 1HB PHE 102 -6.123 7.534 7.507 740 HD1 PHE 102 1HD PHE 102 -6.507 9.957 7.219 741 HD2 PHE 102 2HD PHE 102 -2.627 8.356 7.918 742 HE1 PHE 102 1HE PHE 102 -5.500 12.056 6.419 743 HE2 PHE 102 2HE PHE 102 -1.612 10.453 7.124 744 HZ PHE 102 HZ PHE 102 -3.049 12.307 6.372 745 HA PRO 103 HA PRO 103 -7.545 4.628 11.666 746 HB2 PRO 103 2HB PRO 103 -9.984 6.146 12.287 747 HB3 PRO 103 1HB PRO 103 -8.896 5.284 13.378 748 HG2 PRO 103 2HG PRO 103 -9.016 7.969 13.329 749 HG3 PRO 103 1HG PRO 103 -7.499 7.104 13.637 750 HD2 PRO 103 2HD PRO 103 -8.465 8.387 11.104 751 HD3 PRO 103 1HD PRO 103 -6.848 8.421 11.837 752 H GLY 104 HN GLY 104 -8.190 3.220 10.176 753 HA2 GLY 104 2HA GLY 104 -10.348 2.421 9.138 754 HA3 GLY 104 1HA GLY 104 -10.378 3.995 8.353 755 H PHE 105 HN PHE 105 -7.414 3.913 8.103 756 HA PHE 105 HA PHE 105 -7.276 2.530 5.588 757 HB2 PHE 105 2HB PHE 105 -5.306 4.155 7.192 758 HB3 PHE 105 1HB PHE 105 -4.825 3.301 5.732 759 HD1 PHE 105 1HD PHE 105 -7.582 5.600 6.814 760 HD2 PHE 105 2HD PHE 105 -4.737 4.542 3.833 761 HE1 PHE 105 1HE PHE 105 -8.305 7.514 5.451 762 HE2 PHE 105 2HE PHE 105 -5.456 6.454 2.463 763 HZ PHE 105 HZ PHE 105 -7.241 7.940 3.269 764 H THR 106 HN THR 106 -5.969 0.746 5.094 765 HA THR 106 HA THR 106 -5.258 -0.934 7.370 766 HB THR 106 HB THR 106 -5.162 -1.571 4.409 767 HG1 THR 106 1HG THR 106 -7.107 -2.120 6.421 768 HG21 THR 106 3HG2 THR 106 -3.649 -2.971 5.747 769 HG22 THR 106 1HG2 THR 106 -5.015 -3.903 5.131 770 HG23 THR 106 2HG2 THR 106 -4.987 -3.390 6.817 771 H TYR 107 HN TYR 107 -3.266 -1.019 8.124 772 HA TYR 107 HA TYR 107 -1.095 0.111 6.501 773 HB2 TYR 107 2HB TYR 107 -1.265 -0.350 9.491 774 HB3 TYR 107 1HB TYR 107 0.120 0.338 8.650 775 HD1 TYR 107 1HD TYR 107 -3.472 0.901 9.400 776 HD2 TYR 107 2HD TYR 107 0.219 2.645 8.195 777 HE1 TYR 107 1HE TYR 107 -4.454 3.137 9.652 778 HE2 TYR 107 2HE TYR 107 -0.761 4.889 8.431 779 HH TYR 107 HH TYR 107 -4.015 5.328 9.743 780 H VAL 108 HN VAL 108 -0.023 -1.385 5.427 781 HA VAL 108 HA VAL 108 0.260 -4.055 6.592 782 HB VAL 108 HB VAL 108 0.972 -3.070 3.819 783 HG11 VAL 108 1HG1 VAL 108 1.201 -5.462 3.261 784 HG12 VAL 108 2HG1 VAL 108 0.969 -5.861 4.964 785 HG13 VAL 108 3HG1 VAL 108 2.381 -4.934 4.460 786 HG21 VAL 108 3HG2 VAL 108 -1.353 -4.761 4.747 787 HG22 VAL 108 1HG2 VAL 108 -0.992 -4.330 3.077 788 HG23 VAL 108 2HG2 VAL 108 -1.446 -3.076 4.234 789 H ILE 109 HN ILE 109 2.012 -4.545 7.678 790 HA ILE 109 HA ILE 109 4.456 -2.985 7.167 791 HB ILE 109 HB ILE 109 3.676 -4.503 9.661 792 HG12 ILE 109 2HG1 ILE 109 3.861 -1.520 9.157 793 HG13 ILE 109 1HG1 ILE 109 2.367 -2.435 9.333 794 HG21 ILE 109 1HG2 ILE 109 6.074 -4.529 9.296 795 HG22 ILE 109 2HG2 ILE 109 5.670 -3.478 10.653 796 HG23 ILE 109 3HG2 ILE 109 6.075 -2.777 9.087 797 HD11 ILE 109 3HD1 ILE 109 4.471 -2.098 11.458 798 HD12 ILE 109 1HD1 ILE 109 2.941 -2.959 11.631 799 HD13 ILE 109 2HD1 ILE 109 2.947 -1.215 11.365 800 H VAL 110 HN VAL 110 5.944 -4.023 6.085 801 HA VAL 110 HA VAL 110 5.968 -6.958 6.183 802 HB VAL 110 HB VAL 110 5.645 -6.089 3.932 803 HG11 VAL 110 1HG1 VAL 110 6.657 -3.894 4.184 804 HG12 VAL 110 2HG1 VAL 110 7.354 -4.744 2.805 805 HG13 VAL 110 3HG1 VAL 110 8.256 -4.628 4.317 806 HG21 VAL 110 3HG2 VAL 110 6.942 -8.140 4.179 807 HG22 VAL 110 1HG2 VAL 110 8.430 -7.199 4.283 808 HG23 VAL 110 2HG2 VAL 110 7.492 -7.206 2.789 809 H SER 111 HN SER 111 7.638 -8.021 6.938 810 HA SER 111 HA SER 111 9.812 -6.526 8.140 811 HB2 SER 111 2HB SER 111 8.660 -8.321 9.389 812 HB3 SER 111 1HB SER 111 9.198 -9.491 8.186 813 HG SER 111 HG SER 111 10.520 -8.552 10.322 814 H VAL 112 HN VAL 112 11.417 -6.000 6.829 815 HA VAL 112 HA VAL 112 12.412 -8.064 4.975 816 HB VAL 112 HB VAL 112 12.848 -5.078 4.734 817 HG11 VAL 112 1HG1 VAL 112 13.409 -7.362 2.843 818 HG12 VAL 112 2HG1 VAL 112 14.605 -6.394 3.706 819 HG13 VAL 112 3HG1 VAL 112 13.604 -5.652 2.456 820 HG21 VAL 112 3HG2 VAL 112 10.924 -6.835 3.212 821 HG22 VAL 112 1HG2 VAL 112 11.244 -5.132 2.889 822 HG23 VAL 112 2HG2 VAL 112 10.486 -5.614 4.408 823 H ARG 113 HN ARG 113 14.202 -8.980 5.691 824 HA ARG 113 HA ARG 113 15.667 -7.709 7.846 825 HB2 ARG 113 2HB ARG 113 14.971 -10.123 7.899 826 HB3 ARG 113 1HB ARG 113 16.133 -10.423 6.615 827 HG2 ARG 113 2HG ARG 113 17.954 -9.771 8.046 828 HG3 ARG 113 1HG ARG 113 16.827 -9.308 9.322 829 HD2 ARG 113 2HD ARG 113 16.040 -11.642 9.432 830 HD3 ARG 113 1HD ARG 113 17.237 -12.082 8.215 831 HE ARG 113 HE ARG 113 18.174 -10.829 10.683 832 HH11 ARG 113 1HH1 ARG 113 17.730 -13.741 8.805 833 HH12 ARG 113 2HH1 ARG 113 18.981 -14.629 9.622 834 HH21 ARG 113 1HH2 ARG 113 19.841 -11.991 11.776 835 HH22 ARG 113 2HH2 ARG 113 20.195 -13.624 11.294 836 H ASP 114 HN ASP 114 16.470 -6.013 6.520 837 HA ASP 114 HA ASP 114 18.163 -4.916 5.487 838 HB2 ASP 114 2HB ASP 114 19.445 -6.323 7.178 839 HB3 ASP 114 1HB ASP 114 19.805 -7.422 5.853 840 H GLY 115 HN GLY 115 16.326 -6.674 3.942 841 HA2 GLY 115 2HA GLY 115 16.566 -6.261 1.449 842 HA3 GLY 115 1HA GLY 115 18.040 -7.205 1.599 843 H ALA 116 HN ALA 116 16.628 -8.937 3.637 844 HA ALA 116 HA ALA 116 15.348 -10.680 1.666 845 HB1 ALA 116 1HB ALA 116 15.695 -12.470 3.259 846 HB2 ALA 116 2HB ALA 116 16.260 -11.314 4.465 847 HB3 ALA 116 3HB ALA 116 17.201 -11.591 2.999 848 HA PRO 117 HA PRO 117 11.415 -9.422 3.528 849 HB2 PRO 117 2HB PRO 117 10.347 -11.188 1.429 850 HB3 PRO 117 1HB PRO 117 10.014 -9.479 1.733 851 HG2 PRO 117 2HG PRO 117 11.466 -10.282 -0.381 852 HG3 PRO 117 1HG PRO 117 11.809 -8.765 0.471 853 HD2 PRO 117 2HD PRO 117 13.212 -11.406 0.659 854 HD3 PRO 117 1HD PRO 117 13.894 -9.765 0.629 855 H GLU 118 HN GLU 118 10.829 -10.461 5.319 856 HA GLU 118 HA GLU 118 11.113 -13.377 5.397 857 HB2 GLU 118 2HB GLU 118 12.327 -12.004 7.071 858 HB3 GLU 118 1HB GLU 118 10.783 -11.420 7.677 859 HG2 GLU 118 2HG GLU 118 10.161 -13.678 8.312 860 HG3 GLU 118 1HG GLU 118 11.684 -14.289 7.675 861 H ALA 119 HN ALA 119 8.929 -11.072 7.021 862 HA ALA 119 HA ALA 119 6.668 -12.772 6.243 863 HB1 ALA 119 1HB ALA 119 5.754 -12.680 8.491 864 HB2 ALA 119 2HB ALA 119 7.145 -11.746 9.038 865 HB3 ALA 119 3HB ALA 119 7.357 -13.414 8.508 866 H LEU 120 HN LEU 120 4.671 -11.737 6.152 867 HA LEU 120 HA LEU 120 4.776 -8.792 6.179 868 HB2 LEU 120 2HB LEU 120 3.155 -10.626 4.403 869 HB3 LEU 120 1HB LEU 120 2.948 -8.890 4.469 870 HG LEU 120 HG LEU 120 5.417 -8.753 3.749 871 HD11 LEU 120 1HD1 LEU 120 4.823 -11.605 2.971 872 HD12 LEU 120 2HD1 LEU 120 6.020 -11.074 4.153 873 HD13 LEU 120 3HD1 LEU 120 6.221 -10.665 2.449 874 HD21 LEU 120 3HD2 LEU 120 3.326 -9.824 1.862 875 HD22 LEU 120 1HD2 LEU 120 4.798 -8.977 1.390 876 HD23 LEU 120 2HD2 LEU 120 3.555 -8.136 2.316 877 H THR 121 HN THR 121 3.212 -7.719 7.304 878 HA THR 121 HA THR 121 0.961 -9.298 8.339 879 HB THR 121 HB THR 121 1.132 -8.005 10.489 880 HG1 THR 121 1HG THR 121 3.342 -6.995 9.150 881 HG21 THR 121 3HG2 THR 121 1.874 -10.328 10.358 882 HG22 THR 121 1HG2 THR 121 2.898 -9.398 11.454 883 HG23 THR 121 2HG2 THR 121 3.473 -9.798 9.835 884 H ALA 122 HN ALA 122 -0.974 -8.168 8.574 885 HA ALA 122 HA ALA 122 -0.926 -5.398 7.586 886 HB1 ALA 122 1HB ALA 122 -3.109 -7.445 7.156 887 HB2 ALA 122 2HB ALA 122 -1.953 -6.900 5.940 888 HB3 ALA 122 3HB ALA 122 -3.133 -5.769 6.603 889 H TRP 123 HN TRP 123 -1.979 -3.901 8.714 890 HA TRP 123 HA TRP 123 -3.360 -4.787 11.155 891 HB2 TRP 123 2HB TRP 123 -1.355 -2.535 10.939 892 HB3 TRP 123 1HB TRP 123 -2.207 -3.026 12.398 893 HD1 TRP 123 1HD TRP 123 0.648 -4.112 10.085 894 HE1 TRP 123 1HE TRP 123 2.070 -5.877 11.327 895 HE3 TRP 123 3HE TRP 123 -2.360 -4.849 14.148 896 HZ2 TRP 123 2HZ TRP 123 1.905 -7.391 13.719 897 HZ3 TRP 123 3HZ TRP 123 -1.685 -6.485 15.843 898 HH2 TRP 123 2HH TRP 123 0.407 -7.729 15.637 899 H ALA 124 HN ALA 124 -4.930 -3.404 11.962 900 HA ALA 124 HA ALA 124 -5.731 -1.200 10.175 901 HB1 ALA 124 1HB ALA 124 -7.476 -2.900 11.962 902 HB2 ALA 124 2HB ALA 124 -7.387 -3.001 10.203 903 HB3 ALA 124 3HB ALA 124 -8.028 -1.550 10.971 904 H LEU 125 HN LEU 125 -5.882 0.792 11.056 905 HA LEU 125 HA LEU 125 -4.959 1.144 13.765 906 HB2 LEU 125 2HB LEU 125 -4.265 2.666 11.944 907 HB3 LEU 125 1HB LEU 125 -5.928 3.193 11.767 908 HG LEU 125 HG LEU 125 -5.860 4.092 14.082 909 HD11 LEU 125 1HD1 LEU 125 -4.156 2.661 15.026 910 HD12 LEU 125 2HD1 LEU 125 -3.670 4.350 15.170 911 HD13 LEU 125 3HD1 LEU 125 -2.950 3.330 13.926 912 HD21 LEU 125 3HD2 LEU 125 -5.427 5.559 12.191 913 HD22 LEU 125 1HD2 LEU 125 -3.719 5.121 12.227 914 HD23 LEU 125 2HD2 LEU 125 -4.427 6.016 13.571 915 H ALA 126 HN ALA 126 -6.152 1.600 15.516 916 HA ALA 126 HA ALA 126 -8.855 0.979 15.646 917 HB1 ALA 126 1HB ALA 126 -8.810 1.943 17.893 918 HB2 ALA 126 2HB ALA 126 -7.278 2.737 17.527 919 HB3 ALA 126 3HB ALA 126 -7.366 0.978 17.589 920 HA PRO 127 HA PRO 127 -11.124 4.253 13.851 921 HB2 PRO 127 2HB PRO 127 -12.899 3.980 16.227 922 HB3 PRO 127 1HB PRO 127 -13.307 3.955 14.509 923 HG2 PRO 127 2HG PRO 127 -13.240 1.699 15.910 924 HG3 PRO 127 1HG PRO 127 -12.633 1.752 14.245 925 HD2 PRO 127 2HD PRO 127 -11.122 1.674 16.815 926 HD3 PRO 127 1HD PRO 127 -10.732 0.930 15.251 927 H ASP 128 HN ASP 128 -10.282 4.469 17.258 928 HA ASP 128 HA ASP 128 -10.316 7.391 16.969 929 HB2 ASP 128 2HB ASP 128 -12.082 6.482 18.522 930 HB3 ASP 128 1HB ASP 128 -10.776 5.916 19.561 931 H ARG 129 HN ARG 129 -8.140 6.090 16.183 932 HA ARG 129 HA ARG 129 -5.881 6.001 16.366 933 HB2 ARG 129 2HB ARG 129 -4.858 8.084 17.311 934 HB3 ARG 129 1HB ARG 129 -6.094 8.351 16.095 935 HG2 ARG 129 2HG ARG 129 -7.694 8.957 17.803 936 HG3 ARG 129 1HG ARG 129 -6.525 8.580 19.069 937 HD2 ARG 129 2HD ARG 129 -6.031 10.652 16.943 938 HD3 ARG 129 1HD ARG 129 -6.796 11.025 18.486 939 HE ARG 129 HE ARG 129 -4.398 9.677 19.007 940 HH11 ARG 129 1HH1 ARG 129 -5.457 12.738 17.633 941 HH12 ARG 129 2HH1 ARG 129 -4.062 13.602 18.198 942 HH21 ARG 129 1HH2 ARG 129 -2.568 10.826 19.718 943 HH22 ARG 129 2HH2 ARG 129 -2.427 12.528 19.382 944 H SER 130 HN SER 130 -7.036 4.361 18.355 945 HA SER 130 HA SER 130 -5.681 4.819 20.841 946 HB2 SER 130 2HB SER 130 -6.940 2.238 19.902 947 HB3 SER 130 1HB SER 130 -6.683 2.771 21.563 948 HG SER 130 HG SER 130 -8.600 3.592 21.439 949 H GLU 131 HN GLU 131 -5.424 2.269 18.371 950 HA GLU 131 HA GLU 131 -2.588 2.135 18.454 951 HB2 GLU 131 2HB GLU 131 -2.422 -0.140 19.447 952 HB3 GLU 131 1HB GLU 131 -2.973 1.060 20.609 953 HG2 GLU 131 2HG GLU 131 -5.279 0.305 20.286 954 HG3 GLU 131 1HG GLU 131 -4.716 -0.910 19.141 955 H PHE 132 HN PHE 132 -2.217 -0.488 17.613 956 HA PHE 132 HA PHE 132 -3.873 -0.570 15.184 957 HB2 PHE 132 2HB PHE 132 -1.119 -1.624 15.784 958 HB3 PHE 132 1HB PHE 132 -2.057 -2.242 14.431 959 HD1 PHE 132 1HD PHE 132 -3.166 -0.220 12.997 960 HD2 PHE 132 2HD PHE 132 0.431 -0.037 15.257 961 HE1 PHE 132 1HE PHE 132 -2.363 1.611 11.567 962 HE2 PHE 132 2HE PHE 132 1.232 1.797 13.837 963 HZ PHE 132 HZ PHE 132 -0.162 2.624 11.991 964 H HIS 133 HN HIS 133 -4.934 -2.397 14.596 965 HA HIS 133 HA HIS 133 -4.848 -4.626 16.510 966 HB2 HIS 133 2HB HIS 133 -7.232 -3.327 15.222 967 HB3 HIS 133 1HB HIS 133 -7.296 -5.002 15.755 968 HD1 HIS 133 1HD HIS 133 -7.182 -5.449 18.292 969 HD2 HIS 133 2HD HIS 133 -7.252 -1.427 17.261 970 HE1 HIS 133 1HE HIS 133 -7.690 -4.217 20.424 971 HE2 HIS 133 2HE HIS 133 -7.902 -1.803 19.741 972 H ARG 134 HN ARG 134 -5.123 -6.685 15.640 973 HA ARG 134 HA ARG 134 -3.631 -6.926 13.251 974 HB2 ARG 134 2HB ARG 134 -3.392 -8.524 15.065 975 HB3 ARG 134 1HB ARG 134 -5.069 -9.021 14.876 976 HG2 ARG 134 2HG ARG 134 -3.661 -10.651 13.845 977 HG3 ARG 134 1HG ARG 134 -4.537 -9.784 12.593 978 HD2 ARG 134 2HD ARG 134 -2.512 -8.320 12.337 979 HD3 ARG 134 1HD ARG 134 -1.659 -9.447 13.393 980 HE ARG 134 HE ARG 134 -2.838 -10.196 10.789 981 HH11 ARG 134 1HH1 ARG 134 -0.370 -10.505 13.260 982 HH12 ARG 134 2HH1 ARG 134 0.581 -11.633 12.338 983 HH21 ARG 134 1HH2 ARG 134 -1.595 -11.716 9.593 984 HH22 ARG 134 2HH2 ARG 134 -0.104 -12.317 10.274 985 H GLU 135 HN GLU 135 -4.186 -7.315 11.251 986 HA GLU 135 HA GLU 135 -6.996 -7.927 10.627 987 HB2 GLU 135 2HB GLU 135 -5.167 -5.919 9.544 988 HB3 GLU 135 1HB GLU 135 -5.861 -6.941 8.292 989 HG2 GLU 135 2HG GLU 135 -7.440 -5.435 10.356 990 HG3 GLU 135 1HG GLU 135 -7.158 -4.896 8.702 991 H ASP 136 HN ASP 136 -7.022 -8.951 8.287 992 HA ASP 136 HA ASP 136 -4.768 -10.759 7.923 993 HB2 ASP 136 2HB ASP 136 -6.313 -11.878 9.538 994 HB3 ASP 136 1HB ASP 136 -7.567 -11.832 8.303 995 H ILE 137 HN ILE 137 -4.647 -11.674 5.876 996 HA ILE 137 HA ILE 137 -6.110 -10.141 3.879 997 HB ILE 137 HB ILE 137 -3.703 -11.949 3.583 998 HG12 ILE 137 2HG1 ILE 137 -2.645 -9.705 2.884 999 HG13 ILE 137 1HG1 ILE 137 -4.043 -8.950 3.645 1000 HG21 ILE 137 1HG2 ILE 137 -5.121 -10.275 1.517 1001 HG22 ILE 137 2HG2 ILE 137 -5.035 -12.036 1.572 1002 HG23 ILE 137 3HG2 ILE 137 -3.576 -11.090 1.279 1003 HD11 ILE 137 3HD1 ILE 137 -2.155 -8.980 5.152 1004 HD12 ILE 137 1HD1 ILE 137 -2.012 -10.730 4.984 1005 HD13 ILE 137 2HD1 ILE 137 -3.431 -10.030 5.765 1006 H VAL 138 HN VAL 138 -7.905 -10.967 3.112 1007 HA VAL 138 HA VAL 138 -8.051 -13.884 2.688 1008 HB VAL 138 HB VAL 138 -10.561 -12.331 2.669 1009 HG11 VAL 138 1HG1 VAL 138 -10.519 -14.733 2.299 1010 HG12 VAL 138 2HG1 VAL 138 -11.446 -14.319 3.741 1011 HG13 VAL 138 3HG1 VAL 138 -9.814 -14.970 3.899 1012 HG21 VAL 138 3HG2 VAL 138 -9.087 -12.866 5.248 1013 HG22 VAL 138 1HG2 VAL 138 -10.785 -12.401 5.141 1014 HG23 VAL 138 2HG2 VAL 138 -9.531 -11.290 4.593 1015 H ARG 139 HN ARG 139 -9.158 -14.546 0.749 1016 HA ARG 139 HA ARG 139 -8.543 -12.883 -1.495 1017 HB2 ARG 139 2HB ARG 139 -9.867 -15.558 -1.170 1018 HB3 ARG 139 1HB ARG 139 -9.884 -14.736 -2.720 1019 HG2 ARG 139 2HG ARG 139 -7.409 -14.656 -2.655 1020 HG3 ARG 139 1HG ARG 139 -7.458 -15.610 -1.169 1021 HD2 ARG 139 2HD ARG 139 -7.052 -16.988 -3.178 1022 HD3 ARG 139 1HD ARG 139 -8.532 -17.433 -2.330 1023 HE ARG 139 HE ARG 139 -9.377 -15.668 -4.223 1024 HH11 ARG 139 1HH1 ARG 139 -7.485 -18.618 -4.357 1025 HH12 ARG 139 2HH1 ARG 139 -8.073 -19.063 -5.929 1026 HH21 ARG 139 1HH2 ARG 139 -10.136 -16.254 -6.277 1027 HH22 ARG 139 2HH2 ARG 139 -9.577 -17.730 -7.015 1028 HA PRO 140 HA PRO 140 -12.389 -10.666 -1.684 1029 HB2 PRO 140 2HB PRO 140 -11.820 -10.276 -4.539 1030 HB3 PRO 140 1HB PRO 140 -11.925 -9.077 -3.247 1031 HG2 PRO 140 2HG PRO 140 -9.581 -9.741 -4.409 1032 HG3 PRO 140 1HG PRO 140 -9.698 -9.275 -2.703 1033 HD2 PRO 140 2HD PRO 140 -9.449 -12.002 -3.910 1034 HD3 PRO 140 1HD PRO 140 -8.677 -11.336 -2.455 1035 H ASP 141 HN ASP 141 -14.227 -11.800 -1.688 1036 HA ASP 141 HA ASP 141 -14.669 -13.973 -3.524 1037 HB2 ASP 141 2HB ASP 141 -16.498 -12.708 -1.469 1038 HB3 ASP 141 1HB ASP 141 -16.892 -14.146 -2.403 1039 HA PRO 142 HA PRO 142 -16.495 -11.136 -6.460 1040 HB2 PRO 142 2HB PRO 142 -16.366 -12.739 -8.609 1041 HB3 PRO 142 1HB PRO 142 -14.913 -11.998 -7.927 1042 HG2 PRO 142 2HG PRO 142 -15.931 -14.790 -7.645 1043 HG3 PRO 142 1HG PRO 142 -14.263 -14.214 -7.813 1044 HD2 PRO 142 2HD PRO 142 -15.482 -14.927 -5.419 1045 HD3 PRO 142 1HD PRO 142 -14.035 -13.915 -5.570 1046 H GLU 143 HN GLU 143 -18.047 -12.887 -4.686 1047 HA GLU 143 HA GLU 143 -20.386 -13.278 -6.420 1048 HB2 GLU 143 2HB GLU 143 -19.459 -15.042 -4.153 1049 HB3 GLU 143 1HB GLU 143 -21.018 -15.186 -4.951 1050 HG2 GLU 143 2HG GLU 143 -19.842 -15.580 -7.081 1051 HG3 GLU 143 1HG GLU 143 -18.314 -15.542 -6.211 1052 H ALA 144 HN ALA 144 -19.117 -11.501 -4.061 1053 HA ALA 144 HA ALA 144 -21.270 -11.344 -2.192 1054 HB1 ALA 144 1HB ALA 144 -19.018 -9.403 -2.712 1055 HB2 ALA 144 2HB ALA 144 -18.999 -10.726 -1.547 1056 HB3 ALA 144 3HB ALA 144 -20.107 -9.371 -1.327 1057 HA PRO 145 HA PRO 145 -23.933 -8.772 -4.680 1058 HB2 PRO 145 2HB PRO 145 -25.379 -8.250 -2.197 1059 HB3 PRO 145 1HB PRO 145 -25.921 -9.098 -3.645 1060 HG2 PRO 145 2HG PRO 145 -25.435 -10.368 -1.301 1061 HG3 PRO 145 1HG PRO 145 -25.212 -11.138 -2.880 1062 HD2 PRO 145 2HD PRO 145 -23.170 -9.990 -1.025 1063 HD3 PRO 145 1HD PRO 145 -23.085 -11.445 -2.038 1064 H LEU 146 HN LEU 146 -23.821 -6.659 -5.159 1065 HA LEU 146 HA LEU 146 -22.274 -4.933 -3.469 1066 HB2 LEU 146 2HB LEU 146 -22.643 -3.249 -5.255 1067 HB3 LEU 146 1HB LEU 146 -21.915 -4.733 -5.818 1068 HG LEU 146 HG LEU 146 -24.395 -5.345 -6.447 1069 HD11 LEU 146 1HD1 LEU 146 -24.469 -2.335 -6.530 1070 HD12 LEU 146 2HD1 LEU 146 -25.379 -3.349 -5.411 1071 HD13 LEU 146 3HD1 LEU 146 -25.707 -3.434 -7.142 1072 HD21 LEU 146 3HD2 LEU 146 -22.736 -3.389 -8.028 1073 HD22 LEU 146 1HD2 LEU 146 -24.008 -4.429 -8.672 1074 HD23 LEU 146 2HD2 LEU 146 -22.536 -5.141 -8.012 1075 H GLU 147 HN GLU 147 -22.978 -2.968 -2.544 1076 HA GLU 147 HA GLU 147 -25.722 -3.184 -1.623 1077 HB2 GLU 147 2HB GLU 147 -23.206 -2.265 -0.481 1078 HB3 GLU 147 1HB GLU 147 -24.534 -1.158 -0.185 1079 HG2 GLU 147 2HG GLU 147 -24.594 -4.099 0.439 1080 HG3 GLU 147 1HG GLU 147 -24.211 -2.834 1.604 1081 H HIS 148 HN HIS 148 -26.852 -1.146 -1.143 1082 HA HIS 148 HA HIS 148 -27.062 0.375 -3.558 1083 HB2 HIS 148 2HB HIS 148 -28.982 1.457 -2.499 1084 HB3 HIS 148 1HB HIS 148 -29.073 -0.286 -2.308 1085 HD1 HIS 148 1HD HIS 148 -28.046 -1.086 0.218 1086 HD2 HIS 148 2HD HIS 148 -29.523 2.784 -0.235 1087 HE1 HIS 148 1HE HIS 148 -28.562 -0.273 2.539 1088 HE2 HIS 148 2HE HIS 148 -29.616 1.996 2.229 1089 H HIS 149 HN HIS 149 -24.916 1.265 -3.531 1090 HA HIS 149 HA HIS 149 -24.115 3.102 -1.528 1091 HB2 HIS 149 2HB HIS 149 -22.450 3.864 -3.350 1092 HB3 HIS 149 1HB HIS 149 -22.310 2.236 -2.707 1093 HD1 HIS 149 1HD HIS 149 -22.546 0.315 -4.321 1094 HD2 HIS 149 2HD HIS 149 -23.440 3.999 -6.039 1095 HE1 HIS 149 1HE HIS 149 -22.735 -0.115 -6.793 1096 HE2 HIS 149 2HE HIS 149 -23.358 2.105 -7.807 1097 H HIS 150 HN HIS 150 -25.209 4.806 -1.077 1098 HA HIS 150 HA HIS 150 -26.476 6.412 -3.185 1099 HB2 HIS 150 2HB HIS 150 -27.823 5.626 -1.233 1100 HB3 HIS 150 1HB HIS 150 -26.762 6.529 -0.163 1101 HD1 HIS 150 1HD HIS 150 -27.560 8.793 0.439 1102 HD2 HIS 150 2HD HIS 150 -29.219 7.453 -3.139 1103 HE1 HIS 150 1HE HIS 150 -29.233 10.547 -0.241 1104 HE2 HIS 150 2HE HIS 150 -30.344 9.631 -2.309 1105 H HIS 151 HN HIS 151 -23.684 6.484 -3.040 1106 HA HIS 151 HA HIS 151 -21.840 7.757 -2.750 1107 HB2 HIS 151 2HB HIS 151 -23.886 9.970 -2.484 1108 HB3 HIS 151 1HB HIS 151 -22.149 10.247 -2.541 1109 HD1 HIS 151 1HD HIS 151 -24.997 10.216 -4.672 1110 HD2 HIS 151 2HD HIS 151 -21.030 9.030 -5.067 1111 HE1 HIS 151 1HE HIS 151 -24.569 10.090 -7.149 1112 HE2 HIS 151 2HE HIS 151 -22.109 9.571 -7.355 1113 H HIS 152 HN HIS 152 -21.331 6.609 -0.901 1114 HA HIS 152 HA HIS 152 -20.841 6.236 1.279 1115 HB2 HIS 152 2HB HIS 152 -21.349 9.201 1.452 1116 HB3 HIS 152 1HB HIS 152 -20.950 8.247 2.875 1117 HD1 HIS 152 1HD HIS 152 -18.612 8.808 3.417 1118 HD2 HIS 152 2HD HIS 152 -19.161 8.214 -0.665 1119 HE1 HIS 152 1HE HIS 152 -16.315 8.956 2.391 1120 HE2 HIS 152 2HE HIS 152 -16.654 8.418 -0.054 1121 H HIS 153 HN HIS 153 -23.374 8.669 1.757 1122 HA HIS 153 HA HIS 153 -25.492 6.848 2.122 1123 HB2 HIS 153 2HB HIS 153 -24.048 6.451 4.232 1124 HB3 HIS 153 1HB HIS 153 -24.574 8.053 4.734 1125 HD1 HIS 153 1HD HIS 153 -27.313 8.308 4.885 1126 HD2 HIS 153 2HD HIS 153 -25.740 4.458 4.924 1127 HE1 HIS 153 1HE HIS 153 -29.126 6.843 5.826 1128 HE2 HIS 153 2HE HIS 153 -28.125 4.529 5.914 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -7.805 -6.337 5.648 2 H2 MET 1 H2 MET 1 -7.588 -7.959 5.185 3 H3 MET 1 H3 MET 1 -9.112 -7.232 5.057 4 HA MET 1 HA MET 1 -8.322 -5.733 3.371 5 HB2 MET 1 2HB MET 1 -5.984 -5.585 4.136 6 HB3 MET 1 1HB MET 1 -5.722 -7.259 3.662 7 HG2 MET 1 2HG MET 1 -6.658 -6.204 1.343 8 HG3 MET 1 1HG MET 1 -5.806 -4.823 2.027 9 HE1 MET 1 2HE MET 1 -2.150 -6.079 2.298 10 HE2 MET 1 3HE MET 1 -3.369 -6.031 3.574 11 HE3 MET 1 1HE MET 1 -3.244 -4.701 2.425 12 H LYS 2 HN LYS 2 -9.087 -6.355 1.422 13 HA LYS 2 HA LYS 2 -9.002 -9.226 0.810 14 HB2 LYS 2 2HB LYS 2 -10.786 -7.003 -0.155 15 HB3 LYS 2 1HB LYS 2 -10.641 -8.504 -1.058 16 HG2 LYS 2 2HG LYS 2 -12.526 -8.797 0.277 17 HG3 LYS 2 1HG LYS 2 -11.260 -9.684 1.112 18 HD2 LYS 2 2HD LYS 2 -10.923 -7.691 2.577 19 HD3 LYS 2 1HD LYS 2 -12.327 -6.948 1.810 20 HE2 LYS 2 2HE LYS 2 -12.403 -9.613 3.217 21 HE3 LYS 2 1HE LYS 2 -12.778 -8.086 4.008 22 HZ1 LYS 2 3HZ LYS 2 -14.204 -9.051 1.595 23 HZ2 LYS 2 1HZ LYS 2 -14.646 -7.765 2.606 24 HZ3 LYS 2 2HZ LYS 2 -14.736 -9.367 3.168 25 H THR 3 HN THR 3 -7.666 -9.949 -0.692 26 HA THR 3 HA THR 3 -6.590 -8.224 -2.743 27 HB THR 3 HB THR 3 -5.288 -7.554 -0.732 28 HG1 THR 3 1HG THR 3 -3.585 -7.338 -1.984 29 HG21 THR 3 3HG2 THR 3 -5.303 -9.674 0.470 30 HG22 THR 3 1HG2 THR 3 -3.646 -9.129 0.203 31 HG23 THR 3 2HG2 THR 3 -4.324 -10.417 -0.795 32 H THR 4 HN THR 4 -4.615 -9.440 -3.772 33 HA THR 4 HA THR 4 -5.493 -12.235 -4.133 34 HB THR 4 HB THR 4 -4.630 -12.049 -6.466 35 HG1 THR 4 1HG THR 4 -4.737 -9.272 -6.385 36 HG21 THR 4 3HG2 THR 4 -7.018 -11.781 -6.016 37 HG22 THR 4 1HG2 THR 4 -6.505 -10.742 -7.348 38 HG23 THR 4 2HG2 THR 4 -6.782 -10.055 -5.747 39 HA PRO 5 HA PRO 5 -1.496 -13.700 -2.966 40 HB2 PRO 5 2HB PRO 5 -1.175 -15.623 -4.970 41 HB3 PRO 5 1HB PRO 5 -1.974 -15.870 -3.417 42 HG2 PRO 5 2HG PRO 5 -3.155 -15.318 -6.093 43 HG3 PRO 5 1HG PRO 5 -3.766 -16.343 -4.783 44 HD2 PRO 5 2HD PRO 5 -4.813 -13.923 -5.291 45 HD3 PRO 5 1HD PRO 5 -4.672 -14.547 -3.633 46 H ASP 6 HN ASP 6 -2.074 -13.007 -6.381 47 HA ASP 6 HA ASP 6 0.572 -12.850 -7.255 48 HB2 ASP 6 2HB ASP 6 -1.320 -12.872 -8.792 49 HB3 ASP 6 1HB ASP 6 -1.830 -11.297 -8.203 50 H ILE 7 HN ILE 7 -1.547 -10.297 -5.963 51 HA ILE 7 HA ILE 7 0.441 -8.267 -6.083 52 HB ILE 7 HB ILE 7 -2.055 -8.439 -4.372 53 HG12 ILE 7 2HG1 ILE 7 -2.536 -8.435 -6.765 54 HG13 ILE 7 1HG1 ILE 7 -3.009 -6.899 -6.054 55 HG21 ILE 7 1HG2 ILE 7 -0.309 -6.050 -4.947 56 HG22 ILE 7 2HG2 ILE 7 -0.440 -6.887 -3.401 57 HG23 ILE 7 3HG2 ILE 7 -1.832 -6.023 -4.059 58 HD11 ILE 7 3HD1 ILE 7 -0.488 -7.391 -7.614 59 HD12 ILE 7 1HD1 ILE 7 -1.000 -5.852 -6.925 60 HD13 ILE 7 2HD1 ILE 7 -1.941 -6.599 -8.219 61 H LEU 8 HN LEU 8 -0.660 -10.460 -3.528 62 HA LEU 8 HA LEU 8 0.807 -9.482 -1.386 63 HB2 LEU 8 2HB LEU 8 0.017 -12.303 -2.091 64 HB3 LEU 8 1HB LEU 8 0.771 -11.879 -0.566 65 HG LEU 8 HG LEU 8 -1.857 -10.763 -1.542 66 HD11 LEU 8 1HD1 LEU 8 -1.265 -12.944 0.458 67 HD12 LEU 8 2HD1 LEU 8 -2.077 -13.129 -1.097 68 HD13 LEU 8 3HD1 LEU 8 -2.846 -12.206 0.193 69 HD21 LEU 8 3HD2 LEU 8 -0.641 -9.271 -0.036 70 HD22 LEU 8 1HD2 LEU 8 -0.476 -10.579 1.136 71 HD23 LEU 8 2HD2 LEU 8 -2.073 -9.940 0.747 72 H ASP 9 HN ASP 9 1.806 -11.835 -3.855 73 HA ASP 9 HA ASP 9 4.355 -12.340 -2.719 74 HB2 ASP 9 2HB ASP 9 3.170 -13.800 -4.402 75 HB3 ASP 9 1HB ASP 9 3.616 -12.625 -5.635 76 H GLN 10 HN GLN 10 3.191 -10.102 -5.160 77 HA GLN 10 HA GLN 10 5.693 -9.067 -5.917 78 HB2 GLN 10 2HB GLN 10 2.953 -7.803 -5.977 79 HB3 GLN 10 1HB GLN 10 4.382 -7.087 -6.709 80 HG2 GLN 10 2HG GLN 10 4.625 -9.086 -8.121 81 HG3 GLN 10 1HG GLN 10 3.133 -9.723 -7.431 82 HE21 GLN 10 1HE2 GLN 10 1.179 -8.770 -7.976 83 HE22 GLN 10 2HE2 GLN 10 1.015 -7.723 -9.343 84 H ILE 11 HN ILE 11 3.532 -8.252 -3.256 85 HA ILE 11 HA ILE 11 4.866 -5.939 -2.375 86 HB ILE 11 HB ILE 11 3.417 -7.996 -0.686 87 HG12 ILE 11 2HG1 ILE 11 2.417 -5.389 -1.865 88 HG13 ILE 11 1HG1 ILE 11 2.035 -6.988 -2.500 89 HG21 ILE 11 1HG2 ILE 11 4.850 -6.587 0.674 90 HG22 ILE 11 2HG2 ILE 11 3.160 -6.151 0.932 91 HG23 ILE 11 3HG2 ILE 11 4.188 -5.139 -0.084 92 HD11 ILE 11 3HD1 ILE 11 1.309 -5.970 0.239 93 HD12 ILE 11 1HD1 ILE 11 0.883 -7.544 -0.437 94 HD13 ILE 11 2HD1 ILE 11 0.224 -6.071 -1.148 95 H ARG 12 HN ARG 12 5.393 -9.373 -1.698 96 HA ARG 12 HA ARG 12 7.488 -9.153 0.148 97 HB2 ARG 12 2HB ARG 12 7.165 -11.250 -2.012 98 HB3 ARG 12 1HB ARG 12 8.130 -11.407 -0.553 99 HG2 ARG 12 2HG ARG 12 6.163 -11.419 0.816 100 HG3 ARG 12 1HG ARG 12 5.140 -11.054 -0.579 101 HD2 ARG 12 2HD ARG 12 5.809 -13.182 -1.608 102 HD3 ARG 12 1HD ARG 12 6.807 -13.544 -0.203 103 HE ARG 12 HE ARG 12 4.574 -13.390 1.047 104 HH11 ARG 12 1HH1 ARG 12 4.943 -14.546 -2.246 105 HH12 ARG 12 2HH1 ARG 12 3.570 -15.616 -2.156 106 HH21 ARG 12 1HH2 ARG 12 2.784 -14.808 1.181 107 HH22 ARG 12 2HH2 ARG 12 2.341 -15.760 -0.207 108 H VAL 13 HN VAL 13 7.555 -9.396 -3.380 109 HA VAL 13 HA VAL 13 10.353 -9.292 -3.680 110 HB VAL 13 HB VAL 13 8.235 -8.453 -5.670 111 HG11 VAL 13 1HG1 VAL 13 11.116 -9.253 -6.065 112 HG12 VAL 13 2HG1 VAL 13 10.415 -7.656 -6.334 113 HG13 VAL 13 3HG1 VAL 13 9.945 -9.009 -7.360 114 HG21 VAL 13 3HG2 VAL 13 9.539 -11.144 -5.247 115 HG22 VAL 13 1HG2 VAL 13 8.411 -10.735 -6.542 116 HG23 VAL 13 2HG2 VAL 13 7.868 -10.729 -4.863 117 H HIS 14 HN HIS 14 7.878 -6.748 -3.871 118 HA HIS 14 HA HIS 14 9.676 -4.701 -4.612 119 HB2 HIS 14 2HB HIS 14 6.882 -4.686 -3.535 120 HB3 HIS 14 1HB HIS 14 7.781 -3.178 -3.677 121 HD1 HIS 14 1HD HIS 14 8.519 -2.491 -6.140 122 HD2 HIS 14 2HD HIS 14 5.844 -5.663 -5.900 123 HE1 HIS 14 1HE HIS 14 7.584 -2.763 -8.458 124 HE2 HIS 14 2HE HIS 14 5.887 -4.619 -8.270 125 H GLY 15 HN GLY 15 8.792 -6.010 -1.500 126 HA2 GLY 15 2HA GLY 15 9.769 -3.955 0.150 127 HA3 GLY 15 1HA GLY 15 9.718 -5.663 0.572 128 H ALA 16 HN ALA 16 11.431 -6.804 -1.189 129 HA ALA 16 HA ALA 16 14.004 -6.007 -0.225 130 HB1 ALA 16 1HB ALA 16 13.277 -7.998 -2.371 131 HB2 ALA 16 2HB ALA 16 13.483 -8.352 -0.656 132 HB3 ALA 16 3HB ALA 16 14.865 -7.825 -1.618 133 H ASP 17 HN ASP 17 12.144 -5.486 -3.093 134 HA ASP 17 HA ASP 17 14.092 -4.701 -4.931 135 HB2 ASP 17 2HB ASP 17 11.668 -5.153 -5.379 136 HB3 ASP 17 1HB ASP 17 11.297 -3.592 -4.676 137 H ALA 18 HN ALA 18 12.465 -2.923 -2.401 138 HA ALA 18 HA ALA 18 13.485 -0.358 -3.228 139 HB1 ALA 18 1HB ALA 18 11.309 -0.579 -2.125 140 HB2 ALA 18 2HB ALA 18 12.385 0.518 -1.259 141 HB3 ALA 18 3HB ALA 18 12.117 -1.116 -0.652 142 H TYR 19 HN TYR 19 14.757 -2.921 -1.405 143 HA TYR 19 HA TYR 19 16.289 -1.481 0.498 144 HB2 TYR 19 2HB TYR 19 16.058 -4.261 -0.417 145 HB3 TYR 19 1HB TYR 19 17.675 -3.821 0.127 146 HD1 TYR 19 2HD TYR 19 14.208 -3.013 1.285 147 HD2 TYR 19 1HD TYR 19 18.072 -4.488 2.292 148 HE1 TYR 19 2HE TYR 19 13.508 -3.231 3.631 149 HE2 TYR 19 1HE TYR 19 17.385 -4.700 4.640 150 HH TYR 19 HH TYR 19 14.175 -4.560 5.639 151 HA PRO 20 HA PRO 20 18.579 -2.459 1.323 152 HB2 PRO 20 2HB PRO 20 20.742 -0.564 1.706 153 HB3 PRO 20 1HB PRO 20 20.799 -2.327 1.707 154 HG2 PRO 20 2HG PRO 20 21.933 -0.803 -0.238 155 HG3 PRO 20 1HG PRO 20 21.317 -2.442 -0.521 156 HD2 PRO 20 2HD PRO 20 20.026 0.199 -1.126 157 HD3 PRO 20 1HD PRO 20 20.097 -1.275 -2.119 158 H GLU 21 HN GLU 21 17.683 0.504 0.110 159 HA GLU 21 HA GLU 21 17.683 2.003 2.577 160 HB2 GLU 21 2HB GLU 21 16.392 2.598 -0.095 161 HB3 GLU 21 1HB GLU 21 16.579 3.736 1.235 162 HG2 GLU 21 2HG GLU 21 18.886 3.864 0.966 163 HG3 GLU 21 1HG GLU 21 18.954 2.380 0.019 164 H GLU 22 HN GLU 22 15.539 3.065 3.266 165 HA GLU 22 HA GLU 22 13.678 0.963 3.823 166 HB2 GLU 22 2HB GLU 22 12.424 2.647 5.098 167 HB3 GLU 22 1HB GLU 22 14.127 2.640 5.528 168 HG2 GLU 22 2HG GLU 22 14.497 4.630 4.199 169 HG3 GLU 22 1HG GLU 22 12.812 4.620 3.681 170 H GLY 23 HN GLY 23 11.979 0.378 2.674 171 HA2 GLY 23 2HA GLY 23 11.220 2.069 0.404 172 HA3 GLY 23 1HA GLY 23 10.936 0.341 0.534 173 H CYS 24 HN CYS 24 9.865 3.509 1.540 174 HA CYS 24 HA CYS 24 7.384 2.365 2.564 175 HB2 CYS 24 2HB CYS 24 6.877 4.841 3.031 176 HB3 CYS 24 1HB CYS 24 8.136 4.073 3.988 177 HG CYS 24 HG CYS 24 9.568 6.200 3.617 178 H GLY 25 HN GLY 25 5.345 3.000 1.720 179 HA2 GLY 25 2HA GLY 25 5.121 4.553 -0.663 180 HA3 GLY 25 1HA GLY 25 5.136 2.838 -1.040 181 H PHE 26 HN PHE 26 2.966 3.722 -1.885 182 HA PHE 26 HA PHE 26 0.954 3.605 0.265 183 HB2 PHE 26 2HB PHE 26 0.765 5.068 -2.377 184 HB3 PHE 26 1HB PHE 26 -0.482 5.018 -1.136 185 HD1 PHE 26 1HD PHE 26 -0.020 6.094 1.091 186 HD2 PHE 26 2HD PHE 26 2.513 6.628 -2.290 187 HE1 PHE 26 1HE PHE 26 0.953 8.095 2.140 188 HE2 PHE 26 2HE PHE 26 3.488 8.631 -1.246 189 HZ PHE 26 HZ PHE 26 2.709 9.365 0.972 190 H LEU 27 HN LEU 27 -0.947 2.460 -0.127 191 HA LEU 27 HA LEU 27 -0.772 0.517 -2.329 192 HB2 LEU 27 2HB LEU 27 -2.365 0.409 0.236 193 HB3 LEU 27 1HB LEU 27 -2.355 -0.834 -1.000 194 HG LEU 27 HG LEU 27 0.016 -0.005 0.671 195 HD11 LEU 27 1HD1 LEU 27 -1.657 -1.206 1.958 196 HD12 LEU 27 2HD1 LEU 27 -0.236 -2.216 1.685 197 HD13 LEU 27 3HD1 LEU 27 -1.701 -2.477 0.738 198 HD21 LEU 27 3HD2 LEU 27 1.151 -1.887 -0.345 199 HD22 LEU 27 1HD2 LEU 27 0.634 -0.748 -1.588 200 HD23 LEU 27 2HD2 LEU 27 -0.268 -2.242 -1.329 201 H LEU 28 HN LEU 28 -2.177 0.657 -3.957 202 HA LEU 28 HA LEU 28 -4.504 2.439 -3.607 203 HB2 LEU 28 2HB LEU 28 -3.142 1.637 -6.183 204 HB3 LEU 28 1HB LEU 28 -4.419 2.824 -6.000 205 HG LEU 28 HG LEU 28 -1.602 3.078 -4.937 206 HD11 LEU 28 1HD1 LEU 28 -2.999 4.507 -7.193 207 HD12 LEU 28 2HD1 LEU 28 -1.708 3.314 -7.349 208 HD13 LEU 28 3HD1 LEU 28 -1.384 4.868 -6.582 209 HD21 LEU 28 3HD2 LEU 28 -2.231 5.344 -4.315 210 HD22 LEU 28 1HD2 LEU 28 -3.232 4.162 -3.475 211 HD23 LEU 28 2HD2 LEU 28 -3.885 5.046 -4.854 212 H GLY 29 HN GLY 29 -6.539 1.734 -4.292 213 HA2 GLY 29 2HA GLY 29 -6.923 -0.662 -5.771 214 HA3 GLY 29 1HA GLY 29 -7.122 -0.973 -4.053 215 H THR 30 HN THR 30 -9.297 -1.539 -4.552 216 HA THR 30 HA THR 30 -11.039 0.789 -5.014 217 HB THR 30 HB THR 30 -12.689 -1.007 -5.880 218 HG1 THR 30 1HG THR 30 -10.703 -2.499 -6.947 219 HG21 THR 30 3HG2 THR 30 -11.772 -0.844 -8.152 220 HG22 THR 30 1HG2 THR 30 -10.250 -0.259 -7.482 221 HG23 THR 30 2HG2 THR 30 -11.717 0.704 -7.306 222 H VAL 31 HN VAL 31 -13.152 0.656 -4.000 223 HA VAL 31 HA VAL 31 -13.046 -0.741 -1.437 224 HB VAL 31 HB VAL 31 -15.113 1.246 -2.364 225 HG11 VAL 31 1HG1 VAL 31 -15.826 -0.153 -0.513 226 HG12 VAL 31 2HG1 VAL 31 -15.591 1.516 0.009 227 HG13 VAL 31 3HG1 VAL 31 -14.380 0.291 0.393 228 HG21 VAL 31 3HG2 VAL 31 -12.654 1.787 -0.711 229 HG22 VAL 31 1HG2 VAL 31 -13.906 2.954 -1.140 230 HG23 VAL 31 2HG2 VAL 31 -12.877 2.260 -2.394 231 H THR 32 HN THR 32 -13.827 -2.739 -1.496 232 HA THR 32 HA THR 32 -16.127 -3.355 -3.203 233 HB THR 32 HB THR 32 -15.639 -5.744 -2.463 234 HG1 THR 32 1HG THR 32 -14.278 -5.754 -0.820 235 HG21 THR 32 3HG2 THR 32 -14.993 -4.856 -4.663 236 HG22 THR 32 1HG2 THR 32 -13.815 -6.020 -4.053 237 HG23 THR 32 2HG2 THR 32 -13.468 -4.292 -3.978 238 H ASP 33 HN ASP 33 -17.998 -4.296 -2.361 239 HA ASP 33 HA ASP 33 -19.649 -4.776 -0.856 240 HB2 ASP 33 2HB ASP 33 -17.759 -5.986 0.338 241 HB3 ASP 33 1HB ASP 33 -17.579 -4.553 1.332 242 H ASP 34 HN ASP 34 -17.923 -2.058 -1.066 243 HA ASP 34 HA ASP 34 -18.230 0.139 -0.589 244 HB2 ASP 34 2HB ASP 34 -20.641 -0.440 -1.062 245 HB3 ASP 34 1HB ASP 34 -20.866 -0.651 0.667 246 H GLY 35 HN GLY 35 -17.199 -1.964 1.335 247 HA2 GLY 35 2HA GLY 35 -16.727 -0.124 3.513 248 HA3 GLY 35 1HA GLY 35 -17.676 -1.526 3.970 249 H ASP 36 HN ASP 36 -15.458 -2.295 1.511 250 HA ASP 36 HA ASP 36 -13.468 -3.162 3.507 251 HB2 ASP 36 2HB ASP 36 -14.593 -4.686 1.172 252 HB3 ASP 36 1HB ASP 36 -13.008 -5.069 1.829 253 H ASN 37 HN ASN 37 -11.306 -3.454 2.678 254 HA ASN 37 HA ASN 37 -10.736 -1.603 0.477 255 HB2 ASN 37 2HB ASN 37 -8.438 -1.466 1.412 256 HB3 ASN 37 1HB ASN 37 -9.673 -0.917 2.538 257 HD21 ASN 37 1HD2 ASN 37 -10.089 -2.110 4.383 258 HD22 ASN 37 2HD2 ASN 37 -9.007 -3.333 4.954 259 H ARG 38 HN ARG 38 -10.086 -2.380 -1.370 260 HA ARG 38 HA ARG 38 -8.966 -5.104 -1.487 261 HB2 ARG 38 2HB ARG 38 -11.163 -4.987 -2.494 262 HB3 ARG 38 1HB ARG 38 -10.696 -3.592 -3.447 263 HG2 ARG 38 2HG ARG 38 -9.106 -4.999 -4.691 264 HG3 ARG 38 1HG ARG 38 -9.653 -6.399 -3.757 265 HD2 ARG 38 2HD ARG 38 -11.889 -6.151 -4.600 266 HD3 ARG 38 1HD ARG 38 -11.462 -4.646 -5.407 267 HE ARG 38 HE ARG 38 -10.020 -7.039 -6.248 268 HH11 ARG 38 1HH1 ARG 38 -12.600 -4.748 -6.825 269 HH12 ARG 38 2HH1 ARG 38 -12.803 -5.182 -8.494 270 HH21 ARG 38 1HH2 ARG 38 -10.283 -7.635 -8.451 271 HH22 ARG 38 2HH2 ARG 38 -11.483 -6.828 -9.420 272 H VAL 39 HN VAL 39 -6.824 -4.954 -1.796 273 HA VAL 39 HA VAL 39 -5.622 -2.630 -2.992 274 HB VAL 39 HB VAL 39 -4.333 -5.246 -2.190 275 HG11 VAL 39 1HG1 VAL 39 -2.237 -3.981 -2.195 276 HG12 VAL 39 2HG1 VAL 39 -3.099 -2.556 -2.780 277 HG13 VAL 39 3HG1 VAL 39 -2.984 -3.996 -3.792 278 HG21 VAL 39 3HG2 VAL 39 -4.528 -2.640 -0.681 279 HG22 VAL 39 1HG2 VAL 39 -3.664 -4.087 -0.155 280 HG23 VAL 39 2HG2 VAL 39 -5.422 -4.114 -0.309 281 H ALA 40 HN ALA 40 -5.001 -2.340 -5.059 282 HA ALA 40 HA ALA 40 -5.033 -4.675 -6.849 283 HB1 ALA 40 1HB ALA 40 -7.152 -3.437 -7.047 284 HB2 ALA 40 2HB ALA 40 -6.217 -3.424 -8.543 285 HB3 ALA 40 3HB ALA 40 -6.245 -1.994 -7.509 286 H ALA 41 HN ALA 41 -3.635 -1.581 -6.028 287 HA ALA 41 HA ALA 41 -1.543 -2.062 -8.029 288 HB1 ALA 41 1HB ALA 41 -2.931 0.589 -7.644 289 HB2 ALA 41 2HB ALA 41 -3.067 -0.464 -9.052 290 HB3 ALA 41 3HB ALA 41 -1.526 0.304 -8.669 291 H LEU 42 HN LEU 42 0.483 -1.255 -7.519 292 HA LEU 42 HA LEU 42 0.807 -0.383 -4.720 293 HB2 LEU 42 2HB LEU 42 2.853 -1.787 -6.443 294 HB3 LEU 42 1HB LEU 42 2.955 -1.467 -4.724 295 HG LEU 42 HG LEU 42 0.987 -3.354 -6.018 296 HD11 LEU 42 1HD1 LEU 42 3.265 -4.187 -6.174 297 HD12 LEU 42 2HD1 LEU 42 2.336 -5.122 -5.001 298 HD13 LEU 42 3HD1 LEU 42 3.496 -3.915 -4.446 299 HD21 LEU 42 3HD2 LEU 42 0.113 -2.376 -3.973 300 HD22 LEU 42 1HD2 LEU 42 1.595 -2.803 -3.116 301 HD23 LEU 42 2HD2 LEU 42 0.529 -4.071 -3.720 302 H HIS 43 HN HIS 43 2.189 1.349 -4.280 303 HA HIS 43 HA HIS 43 3.567 2.587 -6.557 304 HB2 HIS 43 2HB HIS 43 1.514 3.856 -6.375 305 HB3 HIS 43 1HB HIS 43 1.720 4.032 -4.637 306 HD1 HIS 43 1HD HIS 43 3.091 5.326 -7.910 307 HD2 HIS 43 2HD HIS 43 3.340 6.135 -3.840 308 HE1 HIS 43 1HE HIS 43 4.292 7.529 -7.728 309 HE2 HIS 43 2HE HIS 43 4.542 7.946 -5.254 310 H ARG 44 HN ARG 44 5.634 2.791 -6.067 311 HA ARG 44 HA ARG 44 6.529 2.883 -3.312 312 HB2 ARG 44 2HB ARG 44 8.757 2.690 -4.188 313 HB3 ARG 44 1HB ARG 44 7.745 1.577 -5.095 314 HG2 ARG 44 2HG ARG 44 7.623 3.205 -6.929 315 HG3 ARG 44 1HG ARG 44 8.681 4.286 -6.020 316 HD2 ARG 44 2HD ARG 44 10.135 3.193 -7.473 317 HD3 ARG 44 1HD ARG 44 10.316 2.303 -5.963 318 HE ARG 44 HE ARG 44 8.418 1.283 -7.939 319 HH11 ARG 44 1HH1 ARG 44 11.523 0.970 -6.340 320 HH12 ARG 44 2HH1 ARG 44 11.784 -0.660 -6.898 321 HH21 ARG 44 1HH2 ARG 44 8.775 -0.811 -8.703 322 HH22 ARG 44 2HH2 ARG 44 10.255 -1.645 -8.298 323 H ALA 45 HN ALA 45 7.389 4.683 -2.288 324 HA ALA 45 HA ALA 45 6.442 7.195 -3.241 325 HB1 ALA 45 1HB ALA 45 6.499 6.621 -0.857 326 HB2 ALA 45 2HB ALA 45 7.351 8.125 -1.203 327 HB3 ALA 45 3HB ALA 45 8.263 6.645 -0.905 328 H THR 46 HN THR 46 7.471 7.583 -5.190 329 HA THR 46 HA THR 46 9.621 9.301 -5.141 330 HB THR 46 HB THR 46 10.929 7.215 -4.617 331 HG1 THR 46 1HG THR 46 12.164 8.796 -5.459 332 HG21 THR 46 3HG2 THR 46 9.730 5.625 -6.014 333 HG22 THR 46 1HG2 THR 46 11.434 5.677 -6.462 334 HG23 THR 46 2HG2 THR 46 10.234 6.495 -7.463 335 H ASN 47 HN ASN 47 10.201 10.034 -7.280 336 HA ASN 47 HA ASN 47 8.079 9.473 -9.215 337 HB2 ASN 47 2HB ASN 47 8.748 11.583 -10.292 338 HB3 ASN 47 1HB ASN 47 8.369 11.823 -8.591 339 HD21 ASN 47 1HD2 ASN 47 10.777 11.995 -11.028 340 HD22 ASN 47 2HD2 ASN 47 12.030 12.666 -10.044 341 H ARG 48 HN ARG 48 8.499 8.902 -11.329 342 HA ARG 48 HA ARG 48 11.068 7.545 -11.640 343 HB2 ARG 48 2HB ARG 48 9.045 6.171 -11.815 344 HB3 ARG 48 1HB ARG 48 8.463 7.174 -13.131 345 HG2 ARG 48 2HG ARG 48 11.113 6.022 -13.591 346 HG3 ARG 48 1HG ARG 48 9.821 4.833 -13.416 347 HD2 ARG 48 2HD ARG 48 9.819 7.176 -15.320 348 HD3 ARG 48 1HD ARG 48 10.141 5.498 -15.756 349 HE ARG 48 HE ARG 48 7.847 4.981 -15.240 350 HH11 ARG 48 1HH1 ARG 48 8.624 8.394 -15.350 351 HH12 ARG 48 2HH1 ARG 48 6.975 8.896 -15.599 352 HH21 ARG 48 1HH2 ARG 48 5.683 5.632 -15.607 353 HH22 ARG 48 2HH2 ARG 48 5.307 7.323 -15.787 354 H ARG 49 HN ARG 49 12.290 9.339 -12.221 355 HA ARG 49 HA ARG 49 13.459 10.596 -13.705 356 HB2 ARG 49 2HB ARG 49 12.803 8.305 -15.032 357 HB3 ARG 49 1HB ARG 49 12.143 9.526 -16.108 358 HG2 ARG 49 2HG ARG 49 14.335 10.603 -16.235 359 HG3 ARG 49 1HG ARG 49 14.998 9.376 -15.153 360 HD2 ARG 49 2HD ARG 49 13.915 9.005 -17.940 361 HD3 ARG 49 1HD ARG 49 15.559 8.716 -17.367 362 HE ARG 49 HE ARG 49 14.232 6.994 -15.854 363 HH11 ARG 49 1HH1 ARG 49 13.995 7.649 -19.285 364 HH12 ARG 49 2HH1 ARG 49 13.343 6.083 -19.674 365 HH21 ARG 49 1HH2 ARG 49 13.408 4.919 -16.363 366 HH22 ARG 49 2HH2 ARG 49 12.997 4.534 -18.002 367 H SER 50 HN SER 50 12.988 11.817 -16.047 368 HA SER 50 HA SER 50 11.927 13.469 -17.155 369 HB2 SER 50 2HB SER 50 10.119 11.793 -17.366 370 HB3 SER 50 1HB SER 50 9.434 12.360 -15.845 371 HG SER 50 HG SER 50 9.266 14.455 -16.888 372 H GLU 51 HN GLU 51 12.963 13.856 -14.405 373 HA GLU 51 HA GLU 51 11.290 15.572 -12.925 374 HB2 GLU 51 2HB GLU 51 14.286 15.874 -12.991 375 HB3 GLU 51 1HB GLU 51 13.192 16.176 -11.651 376 HG2 GLU 51 2HG GLU 51 14.063 14.209 -10.956 377 HG3 GLU 51 1HG GLU 51 12.742 13.575 -11.938 378 H GLN 52 HN GLN 52 13.509 16.153 -15.562 379 HA GLN 52 HA GLN 52 13.381 19.022 -15.298 380 HB2 GLN 52 2HB GLN 52 14.606 17.372 -17.512 381 HB3 GLN 52 1HB GLN 52 14.889 19.078 -17.201 382 HG2 GLN 52 2HG GLN 52 15.634 16.818 -15.361 383 HG3 GLN 52 1HG GLN 52 16.736 17.672 -16.436 384 HE21 GLN 52 1HE2 GLN 52 16.748 17.384 -13.516 385 HE22 GLN 52 2HE2 GLN 52 16.758 19.004 -12.895 386 H ARG 53 HN ARG 53 10.945 18.866 -15.511 387 HA ARG 53 HA ARG 53 10.095 18.791 -18.312 388 HB2 ARG 53 2HB ARG 53 8.679 17.643 -16.635 389 HB3 ARG 53 1HB ARG 53 8.434 19.178 -15.809 390 HG2 ARG 53 2HG ARG 53 7.385 20.070 -17.867 391 HG3 ARG 53 1HG ARG 53 7.536 18.471 -18.594 392 HD2 ARG 53 2HD ARG 53 6.147 17.546 -16.785 393 HD3 ARG 53 1HD ARG 53 5.961 19.167 -16.117 394 HE ARG 53 HE ARG 53 5.156 18.888 -18.881 395 HH11 ARG 53 1HH1 ARG 53 4.150 18.809 -15.533 396 HH12 ARG 53 2HH1 ARG 53 2.467 19.033 -15.897 397 HH21 ARG 53 1HH2 ARG 53 2.954 19.226 -19.371 398 HH22 ARG 53 2HH2 ARG 53 1.789 19.275 -18.084 399 H THR 54 HN THR 54 10.341 20.976 -15.562 400 HA THR 54 HA THR 54 10.014 23.241 -17.395 401 HB THR 54 HB THR 54 8.781 23.141 -14.632 402 HG1 THR 54 1HG THR 54 7.057 22.250 -15.530 403 HG21 THR 54 3HG2 THR 54 8.375 25.048 -16.946 404 HG22 THR 54 1HG2 THR 54 9.296 25.395 -15.482 405 HG23 THR 54 2HG2 THR 54 7.556 25.122 -15.386 406 H ARG 55 HN ARG 55 11.145 25.162 -16.716 407 HA ARG 55 HA ARG 55 13.582 24.430 -15.349 408 HB2 ARG 55 2HB ARG 55 12.831 27.077 -16.599 409 HB3 ARG 55 1HB ARG 55 14.430 26.615 -16.042 410 HG2 ARG 55 2HG ARG 55 14.646 26.251 -18.283 411 HG3 ARG 55 1HG ARG 55 14.122 24.652 -17.751 412 HD2 ARG 55 2HD ARG 55 12.910 25.330 -19.747 413 HD3 ARG 55 1HD ARG 55 11.813 25.214 -18.370 414 HE ARG 55 HE ARG 55 12.583 27.841 -18.419 415 HH11 ARG 55 1HH1 ARG 55 11.077 25.661 -20.712 416 HH12 ARG 55 2HH1 ARG 55 10.194 26.917 -21.521 417 HH21 ARG 55 1HH2 ARG 55 11.470 29.495 -19.490 418 HH22 ARG 55 2HH2 ARG 55 10.435 29.125 -20.832 419 H ARG 56 HN ARG 56 12.795 24.142 -13.250 420 HA ARG 56 HA ARG 56 12.785 24.702 -11.072 421 HB2 ARG 56 2HB ARG 56 13.933 26.520 -10.343 422 HB3 ARG 56 1HB ARG 56 14.458 26.520 -12.017 423 HG2 ARG 56 2HG ARG 56 12.709 28.217 -12.506 424 HG3 ARG 56 1HG ARG 56 12.338 28.269 -10.782 425 HD2 ARG 56 2HD ARG 56 13.821 30.091 -11.358 426 HD3 ARG 56 1HD ARG 56 14.665 28.933 -10.328 427 HE ARG 56 HE ARG 56 15.072 28.413 -13.113 428 HH11 ARG 56 1HH1 ARG 56 16.128 30.400 -10.434 429 HH12 ARG 56 2HH1 ARG 56 17.703 30.692 -11.101 430 HH21 ARG 56 1HH2 ARG 56 17.132 28.777 -13.997 431 HH22 ARG 56 2HH2 ARG 56 18.297 29.742 -13.126 432 H TYR 57 HN TYR 57 10.774 26.521 -13.225 433 HA TYR 57 HA TYR 57 9.021 27.653 -11.310 434 HB2 TYR 57 2HB TYR 57 9.241 28.300 -13.747 435 HB3 TYR 57 1HB TYR 57 8.351 26.838 -14.146 436 HD1 TYR 57 1HD TYR 57 8.127 30.155 -12.572 437 HD2 TYR 57 2HD TYR 57 5.967 26.725 -13.867 438 HE1 TYR 57 1HE TYR 57 6.022 31.406 -12.346 439 HE2 TYR 57 2HE TYR 57 3.854 27.965 -13.640 440 HH TYR 57 HH TYR 57 3.002 29.938 -12.332 441 H GLU 58 HN GLU 58 9.300 24.523 -12.772 442 HA GLU 58 HA GLU 58 7.296 23.458 -10.962 443 HB2 GLU 58 2HB GLU 58 5.910 23.881 -12.862 444 HB3 GLU 58 1HB GLU 58 7.117 23.245 -13.969 445 HG2 GLU 58 2HG GLU 58 6.776 21.004 -13.024 446 HG3 GLU 58 1HG GLU 58 5.526 21.657 -11.965 447 H LEU 59 HN LEU 59 7.818 21.443 -10.262 448 HA LEU 59 HA LEU 59 9.806 19.919 -11.769 449 HB2 LEU 59 2HB LEU 59 11.128 19.432 -9.825 450 HB3 LEU 59 1HB LEU 59 11.008 21.170 -9.997 451 HG LEU 59 HG LEU 59 9.272 19.611 -8.081 452 HD11 LEU 59 1HD1 LEU 59 11.927 20.938 -7.563 453 HD12 LEU 59 2HD1 LEU 59 11.590 19.208 -7.501 454 HD13 LEU 59 3HD1 LEU 59 10.844 20.294 -6.329 455 HD21 LEU 59 3HD2 LEU 59 10.043 22.528 -8.223 456 HD22 LEU 59 1HD2 LEU 59 9.029 21.787 -6.984 457 HD23 LEU 59 2HD2 LEU 59 8.474 21.850 -8.657 458 H THR 60 HN THR 60 9.544 17.719 -11.654 459 HA THR 60 HA THR 60 6.968 16.861 -10.635 460 HB THR 60 HB THR 60 7.444 14.746 -11.815 461 HG1 THR 60 1HG THR 60 9.862 15.194 -11.541 462 HG21 THR 60 3HG2 THR 60 7.379 15.638 -14.093 463 HG22 THR 60 1HG2 THR 60 7.913 17.211 -13.499 464 HG23 THR 60 2HG2 THR 60 6.342 16.571 -13.016 465 H ALA 61 HN ALA 61 7.006 16.491 -8.495 466 HA ALA 61 HA ALA 61 9.005 14.565 -7.502 467 HB1 ALA 61 1HB ALA 61 8.733 15.525 -5.289 468 HB2 ALA 61 2HB ALA 61 7.521 16.649 -5.901 469 HB3 ALA 61 3HB ALA 61 9.196 16.782 -6.437 470 H ASP 62 HN ASP 62 8.082 13.253 -5.592 471 HA ASP 62 HA ASP 62 5.349 12.446 -6.326 472 HB2 ASP 62 2HB ASP 62 7.157 10.712 -6.481 473 HB3 ASP 62 1HB ASP 62 7.359 10.838 -4.736 474 H ASP 63 HN ASP 63 3.790 12.137 -4.756 475 HA ASP 63 HA ASP 63 4.232 12.837 -2.011 476 HB2 ASP 63 2HB ASP 63 4.293 15.088 -2.956 477 HB3 ASP 63 1HB ASP 63 2.805 14.790 -3.847 478 H TYR 64 HN TYR 64 2.124 12.741 -0.801 479 HA TYR 64 HA TYR 64 0.585 10.549 -1.510 480 HB2 TYR 64 2HB TYR 64 0.491 11.286 0.769 481 HB3 TYR 64 1HB TYR 64 -0.124 12.870 0.296 482 HD1 TYR 64 2HD TYR 64 -0.979 9.278 0.531 483 HD2 TYR 64 1HD TYR 64 -2.448 13.223 -0.094 484 HE1 TYR 64 2HE TYR 64 -3.285 8.435 0.662 485 HE2 TYR 64 1HE TYR 64 -4.756 12.391 0.031 486 HH TYR 64 HH TYR 64 -5.865 10.005 -0.473 487 H ARG 65 HN ARG 65 -0.078 14.006 -2.085 488 HA ARG 65 HA ARG 65 -2.690 13.646 -3.055 489 HB2 ARG 65 2HB ARG 65 -0.686 15.834 -3.615 490 HB3 ARG 65 1HB ARG 65 -2.375 15.899 -4.075 491 HG2 ARG 65 2HG ARG 65 -2.919 15.594 -1.624 492 HG3 ARG 65 1HG ARG 65 -1.208 15.884 -1.313 493 HD2 ARG 65 2HD ARG 65 -2.309 17.964 -1.044 494 HD3 ARG 65 1HD ARG 65 -1.450 18.043 -2.580 495 HE ARG 65 HE ARG 65 -4.099 17.152 -3.008 496 HH11 ARG 65 1HH1 ARG 65 -2.316 20.066 -2.185 497 HH12 ARG 65 2HH1 ARG 65 -3.527 21.126 -2.835 498 HH21 ARG 65 1HH2 ARG 65 -5.683 18.546 -3.821 499 HH22 ARG 65 2HH2 ARG 65 -5.444 20.271 -3.760 500 H ALA 66 HN ALA 66 0.427 13.697 -4.676 501 HA ALA 66 HA ALA 66 -0.550 13.575 -7.321 502 HB1 ALA 66 1HB ALA 66 1.718 12.919 -7.938 503 HB2 ALA 66 2HB ALA 66 2.100 12.623 -6.243 504 HB3 ALA 66 3HB ALA 66 1.738 14.259 -6.790 505 H ALA 67 HN ALA 67 0.587 11.030 -5.114 506 HA ALA 67 HA ALA 67 0.086 8.861 -6.853 507 HB1 ALA 67 1HB ALA 67 1.528 8.659 -4.892 508 HB2 ALA 67 2HB ALA 67 0.232 7.464 -4.842 509 HB3 ALA 67 3HB ALA 67 0.139 8.909 -3.834 510 H ASP 68 HN ASP 68 -1.867 10.539 -4.485 511 HA ASP 68 HA ASP 68 -4.126 8.847 -4.520 512 HB2 ASP 68 2HB ASP 68 -3.639 10.548 -2.781 513 HB3 ASP 68 1HB ASP 68 -3.956 11.816 -3.953 514 H ALA 69 HN ALA 69 -3.198 11.683 -6.399 515 HA ALA 69 HA ALA 69 -5.606 11.946 -7.862 516 HB1 ALA 69 1HB ALA 69 -2.818 12.816 -8.626 517 HB2 ALA 69 2HB ALA 69 -3.966 13.755 -7.671 518 HB3 ALA 69 3HB ALA 69 -4.319 13.382 -9.358 519 H ALA 70 HN ALA 70 -2.540 10.305 -8.588 520 HA ALA 70 HA ALA 70 -3.286 9.325 -11.141 521 HB1 ALA 70 1HB ALA 70 -1.333 8.131 -9.164 522 HB2 ALA 70 2HB ALA 70 -0.956 9.384 -10.346 523 HB3 ALA 70 3HB ALA 70 -1.424 7.775 -10.891 524 H ALA 71 HN ALA 71 -3.765 8.115 -7.867 525 HA ALA 71 HA ALA 71 -4.874 5.621 -8.531 526 HB1 ALA 71 1HB ALA 71 -4.270 6.217 -6.242 527 HB2 ALA 71 2HB ALA 71 -5.957 5.710 -6.340 528 HB3 ALA 71 3HB ALA 71 -5.557 7.422 -6.209 529 H GLN 72 HN GLN 72 -6.412 8.801 -8.026 530 HA GLN 72 HA GLN 72 -9.048 8.060 -8.575 531 HB2 GLN 72 2HB GLN 72 -7.723 10.701 -9.231 532 HB3 GLN 72 1HB GLN 72 -9.452 10.422 -9.101 533 HG2 GLN 72 2HG GLN 72 -7.418 10.303 -6.886 534 HG3 GLN 72 1HG GLN 72 -8.677 11.514 -7.120 535 HE21 GLN 72 1HE2 GLN 72 -7.944 8.328 -6.025 536 HE22 GLN 72 2HE2 GLN 72 -9.484 7.983 -5.329 537 H GLU 73 HN GLU 73 -6.465 9.101 -10.741 538 HA GLU 73 HA GLU 73 -7.806 9.175 -13.151 539 HB2 GLU 73 2HB GLU 73 -4.997 8.351 -12.464 540 HB3 GLU 73 1HB GLU 73 -5.554 8.497 -14.114 541 HG2 GLU 73 2HG GLU 73 -6.173 10.879 -13.564 542 HG3 GLU 73 1HG GLU 73 -5.270 10.659 -12.064 543 H GLN 74 HN GLN 74 -6.435 6.434 -11.456 544 HA GLN 74 HA GLN 74 -7.151 4.593 -13.576 545 HB2 GLN 74 2HB GLN 74 -5.752 4.262 -10.925 546 HB3 GLN 74 1HB GLN 74 -6.082 2.926 -12.014 547 HG2 GLN 74 2HG GLN 74 -4.654 3.796 -13.680 548 HG3 GLN 74 1HG GLN 74 -4.534 5.353 -12.861 549 HE21 GLN 74 1HE2 GLN 74 -4.161 4.220 -10.229 550 HE22 GLN 74 2HE2 GLN 74 -2.564 3.574 -10.198 551 H GLY 75 HN GLY 75 -8.957 6.042 -11.344 552 HA2 GLY 75 2HA GLY 75 -11.077 5.564 -10.564 553 HA3 GLY 75 1HA GLY 75 -10.986 4.026 -11.409 554 H LEU 76 HN LEU 76 -8.505 4.883 -9.178 555 HA LEU 76 HA LEU 76 -9.548 2.906 -7.253 556 HB2 LEU 76 2HB LEU 76 -6.649 3.593 -7.763 557 HB3 LEU 76 1HB LEU 76 -7.269 2.299 -6.762 558 HG LEU 76 HG LEU 76 -7.544 2.429 -9.765 559 HD11 LEU 76 1HD1 LEU 76 -5.862 0.677 -9.808 560 HD12 LEU 76 2HD1 LEU 76 -5.704 0.764 -8.054 561 HD13 LEU 76 3HD1 LEU 76 -5.222 2.135 -9.052 562 HD21 LEU 76 3HD2 LEU 76 -9.347 1.182 -8.716 563 HD22 LEU 76 1HD2 LEU 76 -8.178 0.236 -7.795 564 HD23 LEU 76 2HD2 LEU 76 -8.244 0.088 -9.551 565 H ASP 77 HN ASP 77 -8.579 3.292 -5.006 566 HA ASP 77 HA ASP 77 -7.740 6.061 -4.584 567 HB2 ASP 77 2HB ASP 77 -9.155 6.311 -2.615 568 HB3 ASP 77 1HB ASP 77 -10.136 6.008 -4.037 569 H VAL 78 HN VAL 78 -6.895 6.301 -2.265 570 HA VAL 78 HA VAL 78 -4.870 4.270 -1.981 571 HB VAL 78 HB VAL 78 -5.350 6.659 -0.193 572 HG11 VAL 78 1HG1 VAL 78 -3.867 4.984 0.773 573 HG12 VAL 78 2HG1 VAL 78 -2.968 6.436 0.333 574 HG13 VAL 78 3HG1 VAL 78 -2.877 5.002 -0.689 575 HG21 VAL 78 3HG2 VAL 78 -5.117 7.375 -2.521 576 HG22 VAL 78 1HG2 VAL 78 -3.611 6.464 -2.652 577 HG23 VAL 78 2HG2 VAL 78 -3.713 7.849 -1.564 578 H VAL 79 HN VAL 79 -5.348 2.433 -0.996 579 HA VAL 79 HA VAL 79 -7.455 2.381 1.016 580 HB VAL 79 HB VAL 79 -7.276 -0.075 0.868 581 HG11 VAL 79 1HG1 VAL 79 -8.140 -0.295 -1.420 582 HG12 VAL 79 2HG1 VAL 79 -7.556 1.326 -1.788 583 HG13 VAL 79 3HG1 VAL 79 -8.827 1.100 -0.587 584 HG21 VAL 79 3HG2 VAL 79 -4.920 -0.298 0.337 585 HG22 VAL 79 1HG2 VAL 79 -5.175 0.490 -1.219 586 HG23 VAL 79 2HG2 VAL 79 -5.897 -1.086 -0.902 587 H GLY 80 HN GLY 80 -4.077 2.580 0.926 588 HA2 GLY 80 2HA GLY 80 -3.797 2.689 3.686 589 HA3 GLY 80 1HA GLY 80 -3.444 1.035 3.219 590 H VAL 81 HN VAL 81 -1.439 1.901 4.339 591 HA VAL 81 HA VAL 81 0.476 2.795 2.291 592 HB VAL 81 HB VAL 81 0.659 3.692 5.167 593 HG11 VAL 81 1HG1 VAL 81 2.737 3.750 3.955 594 HG12 VAL 81 2HG1 VAL 81 2.181 5.393 4.278 595 HG13 VAL 81 3HG1 VAL 81 1.992 4.696 2.669 596 HG21 VAL 81 3HG2 VAL 81 -0.556 5.246 2.888 597 HG22 VAL 81 1HG2 VAL 81 -0.175 5.901 4.481 598 HG23 VAL 81 2HG2 VAL 81 -1.399 4.643 4.316 599 H TYR 82 HN TYR 82 2.707 2.057 2.844 600 HA TYR 82 HA TYR 82 2.720 -0.067 4.858 601 HB2 TYR 82 2HB TYR 82 3.917 -1.615 3.408 602 HB3 TYR 82 1HB TYR 82 2.355 -1.201 2.726 603 HD1 TYR 82 2HD TYR 82 5.998 -0.762 2.379 604 HD2 TYR 82 1HD TYR 82 2.186 -0.091 0.613 605 HE1 TYR 82 2HE TYR 82 7.090 -0.217 0.244 606 HE2 TYR 82 1HE TYR 82 3.266 0.442 -1.531 607 HH TYR 82 HH TYR 82 6.596 -0.149 -2.108 608 H HIS 83 HN HIS 83 4.724 -0.630 5.711 609 HA HIS 83 HA HIS 83 6.848 1.385 5.328 610 HB2 HIS 83 2HB HIS 83 5.778 0.186 7.890 611 HB3 HIS 83 1HB HIS 83 7.357 0.947 7.807 612 HD1 HIS 83 1HD HIS 83 7.428 3.392 8.199 613 HD2 HIS 83 2HD HIS 83 3.587 2.052 7.334 614 HE1 HIS 83 1HE HIS 83 5.922 5.363 8.587 615 HE2 HIS 83 2HE HIS 83 3.591 4.442 8.343 616 H SER 84 HN SER 84 8.998 0.629 5.655 617 HA SER 84 HA SER 84 9.286 -2.300 5.565 618 HB2 SER 84 2HB SER 84 11.220 -0.088 4.815 619 HB3 SER 84 1HB SER 84 11.618 -1.805 4.786 620 HG SER 84 HG SER 84 9.443 -0.707 3.329 621 H HIS 85 HN HIS 85 10.250 -3.349 7.237 622 HA HIS 85 HA HIS 85 11.140 -1.644 9.467 623 HB2 HIS 85 2HB HIS 85 9.246 -3.896 9.348 624 HB3 HIS 85 1HB HIS 85 10.353 -3.915 10.716 625 HD1 HIS 85 1HD HIS 85 8.606 -3.364 12.462 626 HD2 HIS 85 2HD HIS 85 8.789 -0.553 9.400 627 HE1 HIS 85 1HE HIS 85 7.240 -1.408 13.251 628 HE2 HIS 85 2HE HIS 85 7.212 0.206 11.316 629 HA PRO 86 HA PRO 86 14.727 -4.399 9.228 630 HB2 PRO 86 2HB PRO 86 16.625 -2.591 8.737 631 HB3 PRO 86 1HB PRO 86 15.618 -3.225 7.429 632 HG2 PRO 86 2HG PRO 86 15.508 -0.583 8.793 633 HG3 PRO 86 1HG PRO 86 15.129 -1.000 7.113 634 HD2 PRO 86 2HD PRO 86 13.294 -0.656 9.245 635 HD3 PRO 86 1HD PRO 86 12.940 -1.280 7.623 636 H ASP 87 HN ASP 87 13.540 -1.867 10.983 637 HA ASP 87 HA ASP 87 15.718 -1.650 12.900 638 HB2 ASP 87 2HB ASP 87 14.672 0.420 12.275 639 HB3 ASP 87 1HB ASP 87 13.067 -0.222 12.600 640 H HIS 88 HN HIS 88 12.374 -2.724 12.731 641 HA HIS 88 HA HIS 88 12.799 -4.512 14.977 642 HB2 HIS 88 2HB HIS 88 10.885 -2.203 14.993 643 HB3 HIS 88 1HB HIS 88 10.410 -3.697 15.792 644 HD1 HIS 88 1HD HIS 88 12.608 -0.720 16.165 645 HD2 HIS 88 2HD HIS 88 11.994 -4.378 18.056 646 HE1 HIS 88 1HE HIS 88 13.747 -0.535 18.399 647 HE2 HIS 88 2HE HIS 88 13.450 -2.791 19.491 648 HA PRO 89 HA PRO 89 10.350 -7.347 12.672 649 HB2 PRO 89 2HB PRO 89 8.487 -7.760 14.940 650 HB3 PRO 89 1HB PRO 89 9.511 -8.923 14.091 651 HG2 PRO 89 2HG PRO 89 10.139 -8.097 16.541 652 HG3 PRO 89 1HG PRO 89 11.395 -8.362 15.315 653 HD2 PRO 89 2HD PRO 89 10.187 -5.789 16.263 654 HD3 PRO 89 1HD PRO 89 11.884 -6.169 15.901 655 H ALA 90 HN ALA 90 7.697 -8.089 12.730 656 HA ALA 90 HA ALA 90 6.751 -6.013 10.992 657 HB1 ALA 90 1HB ALA 90 5.041 -7.622 10.335 658 HB2 ALA 90 2HB ALA 90 5.545 -8.694 11.642 659 HB3 ALA 90 3HB ALA 90 6.651 -8.342 10.314 660 H ARG 91 HN ARG 91 6.491 -5.999 14.163 661 HA ARG 91 HA ARG 91 3.676 -5.177 14.160 662 HB2 ARG 91 2HB ARG 91 5.561 -5.820 16.417 663 HB3 ARG 91 1HB ARG 91 4.026 -5.008 16.686 664 HG2 ARG 91 2HG ARG 91 2.995 -6.996 15.432 665 HG3 ARG 91 1HG ARG 91 4.542 -7.793 15.723 666 HD2 ARG 91 2HD ARG 91 2.813 -6.579 17.872 667 HD3 ARG 91 1HD ARG 91 2.796 -8.282 17.428 668 HE ARG 91 HE ARG 91 5.187 -8.318 18.132 669 HH11 ARG 91 1HH1 ARG 91 3.078 -5.790 19.327 670 HH12 ARG 91 2HH1 ARG 91 3.906 -5.629 20.849 671 HH21 ARG 91 1HH2 ARG 91 6.294 -8.111 20.133 672 HH22 ARG 91 2HH2 ARG 91 5.714 -6.977 21.322 673 HA PRO 92 HA PRO 92 4.627 -0.925 13.929 674 HB2 PRO 92 2HB PRO 92 2.727 0.130 15.619 675 HB3 PRO 92 1HB PRO 92 2.403 -0.404 13.966 676 HG2 PRO 92 2HG PRO 92 1.944 -1.837 16.549 677 HG3 PRO 92 1HG PRO 92 0.906 -1.758 15.114 678 HD2 PRO 92 2HD PRO 92 2.425 -3.906 15.640 679 HD3 PRO 92 1HD PRO 92 2.145 -3.350 13.977 680 H SER 93 HN SER 93 6.159 0.286 14.811 681 HA SER 93 HA SER 93 6.780 -0.050 17.651 682 HB2 SER 93 2HB SER 93 8.332 1.387 15.475 683 HB3 SER 93 1HB SER 93 8.908 1.013 17.102 684 HG SER 93 HG SER 93 7.961 -1.173 15.758 685 H ALA 94 HN ALA 94 7.837 2.292 18.405 686 HA ALA 94 HA ALA 94 5.624 3.927 18.928 687 HB1 ALA 94 1HB ALA 94 7.635 3.855 20.337 688 HB2 ALA 94 2HB ALA 94 7.203 5.503 19.880 689 HB3 ALA 94 3HB ALA 94 8.540 4.686 19.070 690 H THR 95 HN THR 95 8.169 4.183 16.490 691 HA THR 95 HA THR 95 7.434 6.720 15.493 692 HB THR 95 HB THR 95 8.637 5.846 13.379 693 HG1 THR 95 1HG THR 95 9.107 3.786 13.392 694 HG21 THR 95 3HG2 THR 95 10.835 6.052 14.454 695 HG22 THR 95 1HG2 THR 95 10.078 5.870 16.035 696 HG23 THR 95 2HG2 THR 95 9.713 7.279 15.039 697 H ASP 96 HN ASP 96 6.434 3.431 14.578 698 HA ASP 96 HA ASP 96 4.891 4.155 12.329 699 HB2 ASP 96 2HB ASP 96 4.485 1.818 14.215 700 HB3 ASP 96 1HB ASP 96 3.755 1.982 12.622 701 H LEU 97 HN LEU 97 4.149 3.889 15.747 702 HA LEU 97 HA LEU 97 1.384 4.456 15.627 703 HB2 LEU 97 2HB LEU 97 3.376 4.037 17.606 704 HB3 LEU 97 1HB LEU 97 2.582 5.547 17.994 705 HG LEU 97 HG LEU 97 1.481 3.859 19.211 706 HD11 LEU 97 1HD1 LEU 97 -0.194 4.494 16.791 707 HD12 LEU 97 2HD1 LEU 97 -0.012 5.501 18.228 708 HD13 LEU 97 3HD1 LEU 97 -0.800 3.927 18.349 709 HD21 LEU 97 3HD2 LEU 97 2.277 1.925 17.988 710 HD22 LEU 97 1HD2 LEU 97 1.223 2.327 16.632 711 HD23 LEU 97 2HD2 LEU 97 0.526 1.854 18.182 712 H GLU 98 HN GLU 98 4.221 6.485 16.071 713 HA GLU 98 HA GLU 98 2.797 8.911 16.426 714 HB2 GLU 98 2HB GLU 98 5.661 8.158 16.026 715 HB3 GLU 98 1HB GLU 98 5.195 9.850 15.937 716 HG2 GLU 98 2HG GLU 98 4.382 9.834 18.164 717 HG3 GLU 98 1HG GLU 98 4.487 8.078 18.256 718 H GLU 99 HN GLU 99 3.984 7.257 13.592 719 HA GLU 99 HA GLU 99 3.360 9.582 11.937 720 HB2 GLU 99 2HB GLU 99 4.598 6.908 11.278 721 HB3 GLU 99 1HB GLU 99 4.182 8.102 10.055 722 HG2 GLU 99 2HG GLU 99 5.688 9.714 11.205 723 HG3 GLU 99 1HG GLU 99 6.179 8.415 12.289 724 H ALA 100 HN ALA 100 1.385 7.814 13.427 725 HA ALA 100 HA ALA 100 -0.271 7.015 11.128 726 HB1 ALA 100 1HB ALA 100 -0.608 6.286 14.039 727 HB2 ALA 100 2HB ALA 100 0.152 5.272 12.812 728 HB3 ALA 100 3HB ALA 100 -1.560 5.674 12.683 729 H THR 101 HN THR 101 -1.535 8.630 10.488 730 HA THR 101 HA THR 101 -3.069 10.093 12.527 731 HB THR 101 HB THR 101 -1.077 11.384 11.678 732 HG1 THR 101 1HG THR 101 -2.633 12.627 12.590 733 HG21 THR 101 3HG2 THR 101 -1.331 12.501 9.489 734 HG22 THR 101 1HG2 THR 101 -2.714 11.459 9.152 735 HG23 THR 101 2HG2 THR 101 -1.108 10.756 9.353 736 H PHE 102 HN PHE 102 -3.188 8.096 10.044 737 HA PHE 102 HA PHE 102 -5.575 9.285 8.806 738 HB2 PHE 102 2HB PHE 102 -3.736 7.114 7.785 739 HB3 PHE 102 1HB PHE 102 -5.199 7.649 6.969 740 HD1 PHE 102 1HD PHE 102 -5.343 10.081 6.245 741 HD2 PHE 102 2HD PHE 102 -1.705 8.214 7.441 742 HE1 PHE 102 1HE PHE 102 -4.065 11.833 5.084 743 HE2 PHE 102 2HE PHE 102 -0.423 9.972 6.290 744 HZ PHE 102 HZ PHE 102 -1.604 11.781 5.109 745 HA PRO 103 HA PRO 103 -7.412 5.899 11.296 746 HB2 PRO 103 2HB PRO 103 -9.715 7.615 11.628 747 HB3 PRO 103 1HB PRO 103 -8.571 7.059 12.850 748 HG2 PRO 103 2HG PRO 103 -8.779 9.661 12.031 749 HG3 PRO 103 1HG PRO 103 -7.300 8.951 12.701 750 HD2 PRO 103 2HD PRO 103 -8.036 9.455 9.839 751 HD3 PRO 103 1HD PRO 103 -6.476 9.685 10.661 752 H GLY 104 HN GLY 104 -7.386 5.363 8.794 753 HA2 GLY 104 2HA GLY 104 -9.784 4.088 8.220 754 HA3 GLY 104 1HA GLY 104 -9.823 5.620 7.360 755 H PHE 105 HN PHE 105 -6.861 3.913 7.965 756 HA PHE 105 HA PHE 105 -6.716 3.082 5.161 757 HB2 PHE 105 2HB PHE 105 -4.722 4.745 6.695 758 HB3 PHE 105 1HB PHE 105 -4.243 3.790 5.301 759 HD1 PHE 105 2HD PHE 105 -6.641 6.443 6.337 760 HD2 PHE 105 1HD PHE 105 -4.394 4.689 3.183 761 HE1 PHE 105 2HE PHE 105 -7.290 8.294 4.854 762 HE2 PHE 105 1HE PHE 105 -5.036 6.537 1.694 763 HZ PHE 105 HZ PHE 105 -6.484 8.342 2.527 764 H THR 106 HN THR 106 -5.272 1.325 4.783 765 HA THR 106 HA THR 106 -4.860 -0.349 7.133 766 HB THR 106 HB THR 106 -4.366 -1.042 4.230 767 HG1 THR 106 1HG THR 106 -6.545 -0.546 4.450 768 HG21 THR 106 3HG2 THR 106 -4.814 -2.772 6.667 769 HG22 THR 106 1HG2 THR 106 -3.273 -2.529 5.844 770 HG23 THR 106 2HG2 THR 106 -4.595 -3.355 5.018 771 H TYR 107 HN TYR 107 -2.987 -0.278 8.171 772 HA TYR 107 HA TYR 107 -0.610 0.755 6.823 773 HB2 TYR 107 2HB TYR 107 -1.148 0.108 9.732 774 HB3 TYR 107 1HB TYR 107 0.375 0.740 9.121 775 HD1 TYR 107 1HD TYR 107 -3.265 1.554 9.253 776 HD2 TYR 107 2HD TYR 107 0.719 3.043 9.078 777 HE1 TYR 107 1HE TYR 107 -4.110 3.838 9.571 778 HE2 TYR 107 2HE TYR 107 -0.120 5.334 9.396 779 HH TYR 107 HH TYR 107 -3.457 5.960 10.207 780 H VAL 108 HN VAL 108 0.488 -0.754 5.726 781 HA VAL 108 HA VAL 108 0.620 -3.479 6.803 782 HB VAL 108 HB VAL 108 1.517 -2.398 4.121 783 HG11 VAL 108 1HG1 VAL 108 1.417 -5.232 5.142 784 HG12 VAL 108 2HG1 VAL 108 2.872 -4.302 4.777 785 HG13 VAL 108 3HG1 VAL 108 1.764 -4.754 3.480 786 HG21 VAL 108 3HG2 VAL 108 -0.912 -2.407 4.396 787 HG22 VAL 108 1HG2 VAL 108 -0.855 -4.106 4.866 788 HG23 VAL 108 2HG2 VAL 108 -0.400 -3.629 3.230 789 H ILE 109 HN ILE 109 2.304 -4.206 7.821 790 HA ILE 109 HA ILE 109 4.856 -2.761 7.570 791 HB ILE 109 HB ILE 109 3.708 -4.062 10.048 792 HG12 ILE 109 2HG1 ILE 109 4.333 -1.164 9.440 793 HG13 ILE 109 1HG1 ILE 109 2.722 -1.865 9.474 794 HG21 ILE 109 1HG2 ILE 109 6.347 -2.664 9.642 795 HG22 ILE 109 2HG2 ILE 109 6.119 -4.395 9.893 796 HG23 ILE 109 3HG2 ILE 109 5.720 -3.257 11.181 797 HD11 ILE 109 3HD1 ILE 109 4.599 -1.653 11.810 798 HD12 ILE 109 1HD1 ILE 109 2.988 -2.367 11.846 799 HD13 ILE 109 2HD1 ILE 109 3.183 -0.644 11.514 800 H VAL 110 HN VAL 110 6.345 -3.983 6.648 801 HA VAL 110 HA VAL 110 6.118 -6.897 6.970 802 HB VAL 110 HB VAL 110 5.710 -6.244 4.660 803 HG11 VAL 110 1HG1 VAL 110 8.450 -4.994 4.713 804 HG12 VAL 110 2HG1 VAL 110 6.920 -4.120 4.651 805 HG13 VAL 110 3HG1 VAL 110 7.404 -5.148 3.301 806 HG21 VAL 110 3HG2 VAL 110 8.419 -7.518 4.994 807 HG22 VAL 110 1HG2 VAL 110 7.405 -7.606 3.553 808 HG23 VAL 110 2HG2 VAL 110 6.864 -8.349 5.058 809 H SER 111 HN SER 111 7.681 -7.913 7.918 810 HA SER 111 HA SER 111 10.101 -6.538 8.688 811 HB2 SER 111 2HB SER 111 8.846 -8.170 10.170 812 HB3 SER 111 1HB SER 111 9.388 -9.458 9.096 813 HG SER 111 HG SER 111 11.050 -9.485 10.413 814 H VAL 112 HN VAL 112 11.519 -6.249 7.105 815 HA VAL 112 HA VAL 112 12.179 -8.549 5.389 816 HB VAL 112 HB VAL 112 12.626 -5.615 4.781 817 HG11 VAL 112 1HG1 VAL 112 13.050 -8.076 3.087 818 HG12 VAL 112 2HG1 VAL 112 14.303 -7.030 3.757 819 HG13 VAL 112 3HG1 VAL 112 13.203 -6.410 2.525 820 HG21 VAL 112 3HG2 VAL 112 10.256 -6.155 4.707 821 HG22 VAL 112 1HG2 VAL 112 10.581 -7.525 3.647 822 HG23 VAL 112 2HG2 VAL 112 10.876 -5.881 3.079 823 H ARG 113 HN ARG 113 14.051 -9.466 5.907 824 HA ARG 113 HA ARG 113 15.958 -7.821 7.409 825 HB2 ARG 113 2HB ARG 113 15.306 -10.735 7.497 826 HB3 ARG 113 1HB ARG 113 16.916 -10.194 7.969 827 HG2 ARG 113 2HG ARG 113 15.966 -8.729 9.649 828 HG3 ARG 113 1HG ARG 113 14.336 -9.176 9.150 829 HD2 ARG 113 2HD ARG 113 14.465 -11.251 10.119 830 HD3 ARG 113 1HD ARG 113 16.221 -11.331 9.965 831 HE ARG 113 HE ARG 113 15.967 -9.377 11.752 832 HH11 ARG 113 1HH1 ARG 113 14.123 -12.350 11.599 833 HH12 ARG 113 2HH1 ARG 113 14.155 -12.595 13.320 834 HH21 ARG 113 1HH2 ARG 113 15.992 -9.703 14.026 835 HH22 ARG 113 2HH2 ARG 113 15.221 -11.115 14.694 836 H ASP 114 HN ASP 114 16.943 -6.843 5.787 837 HA ASP 114 HA ASP 114 18.517 -6.467 4.209 838 HB2 ASP 114 2HB ASP 114 19.776 -7.766 6.022 839 HB3 ASP 114 1HB ASP 114 19.676 -9.145 4.937 840 H GLY 115 HN GLY 115 16.198 -7.445 3.163 841 HA2 GLY 115 2HA GLY 115 15.821 -7.819 0.831 842 HA3 GLY 115 1HA GLY 115 17.247 -8.846 0.801 843 H ALA 116 HN ALA 116 16.028 -9.920 3.485 844 HA ALA 116 HA ALA 116 14.571 -12.057 2.155 845 HB1 ALA 116 1HB ALA 116 14.851 -13.304 4.217 846 HB2 ALA 116 2HB ALA 116 15.528 -11.879 5.006 847 HB3 ALA 116 3HB ALA 116 16.396 -12.648 3.678 848 HA PRO 117 HA PRO 117 10.712 -10.244 3.623 849 HB2 PRO 117 2HB PRO 117 9.479 -12.451 2.159 850 HB3 PRO 117 1HB PRO 117 9.340 -10.713 1.879 851 HG2 PRO 117 2HG PRO 117 10.659 -12.360 0.186 852 HG3 PRO 117 1HG PRO 117 11.125 -10.668 0.439 853 HD2 PRO 117 2HD PRO 117 12.339 -13.158 1.588 854 HD3 PRO 117 1HD PRO 117 13.141 -11.705 0.951 855 H GLU 118 HN GLU 118 10.567 -10.745 5.738 856 HA GLU 118 HA GLU 118 10.619 -13.540 6.557 857 HB2 GLU 118 2HB GLU 118 12.116 -11.956 7.654 858 HB3 GLU 118 1HB GLU 118 10.743 -10.984 8.155 859 HG2 GLU 118 2HG GLU 118 9.964 -12.751 9.595 860 HG3 GLU 118 1HG GLU 118 11.254 -13.815 9.029 861 H ALA 119 HN ALA 119 8.784 -10.712 7.695 862 HA ALA 119 HA ALA 119 6.385 -12.405 7.751 863 HB1 ALA 119 1HB ALA 119 5.776 -11.544 9.937 864 HB2 ALA 119 2HB ALA 119 7.234 -10.551 9.974 865 HB3 ALA 119 3HB ALA 119 7.365 -12.310 10.006 866 H LEU 120 HN LEU 120 4.786 -11.511 6.680 867 HA LEU 120 HA LEU 120 4.745 -8.591 6.325 868 HB2 LEU 120 2HB LEU 120 4.883 -10.188 4.312 869 HB3 LEU 120 1HB LEU 120 3.232 -10.631 4.690 870 HG LEU 120 HG LEU 120 4.049 -7.789 4.088 871 HD11 LEU 120 1HD1 LEU 120 4.638 -9.192 2.188 872 HD12 LEU 120 2HD1 LEU 120 3.247 -8.178 1.813 873 HD13 LEU 120 3HD1 LEU 120 3.016 -9.887 2.182 874 HD21 LEU 120 3HD2 LEU 120 1.910 -8.051 5.234 875 HD22 LEU 120 1HD2 LEU 120 1.382 -9.203 4.007 876 HD23 LEU 120 2HD2 LEU 120 1.671 -7.518 3.569 877 H THR 121 HN THR 121 3.192 -7.511 7.430 878 HA THR 121 HA THR 121 0.702 -8.920 8.058 879 HB THR 121 HB THR 121 2.069 -7.293 10.190 880 HG1 THR 121 1HG THR 121 2.721 -9.802 9.291 881 HG21 THR 121 3HG2 THR 121 0.626 -8.611 11.675 882 HG22 THR 121 1HG2 THR 121 -0.034 -9.457 10.276 883 HG23 THR 121 2HG2 THR 121 -0.314 -7.727 10.471 884 H ALA 122 HN ALA 122 -1.027 -7.475 8.608 885 HA ALA 122 HA ALA 122 -0.574 -4.698 7.763 886 HB1 ALA 122 1HB ALA 122 -2.766 -4.700 6.666 887 HB2 ALA 122 2HB ALA 122 -2.976 -6.401 7.081 888 HB3 ALA 122 3HB ALA 122 -1.704 -5.920 5.959 889 H TRP 123 HN TRP 123 -1.824 -3.145 8.805 890 HA TRP 123 HA TRP 123 -3.230 -4.071 11.211 891 HB2 TRP 123 2HB TRP 123 -1.172 -1.850 11.095 892 HB3 TRP 123 1HB TRP 123 -2.091 -2.329 12.518 893 HD1 TRP 123 1HD TRP 123 0.844 -3.450 10.324 894 HE1 TRP 123 1HE TRP 123 2.156 -5.279 11.593 895 HE3 TRP 123 3HE TRP 123 -2.376 -4.191 14.214 896 HZ2 TRP 123 2HZ TRP 123 1.844 -6.833 13.933 897 HZ3 TRP 123 3HZ TRP 123 -1.825 -5.871 15.916 898 HH2 TRP 123 2HH TRP 123 0.252 -7.169 15.784 899 H ALA 124 HN ALA 124 -4.998 -2.928 11.762 900 HA ALA 124 HA ALA 124 -5.739 -0.667 10.033 901 HB1 ALA 124 1HB ALA 124 -7.298 -2.544 10.024 902 HB2 ALA 124 2HB ALA 124 -8.040 -1.113 10.737 903 HB3 ALA 124 3HB ALA 124 -7.473 -2.421 11.776 904 H LEU 125 HN LEU 125 -5.850 1.322 10.884 905 HA LEU 125 HA LEU 125 -5.180 1.680 13.674 906 HB2 LEU 125 2HB LEU 125 -4.131 3.095 11.970 907 HB3 LEU 125 1HB LEU 125 -5.706 3.696 11.487 908 HG LEU 125 HG LEU 125 -5.979 4.719 13.728 909 HD11 LEU 125 1HD1 LEU 125 -4.541 3.225 15.000 910 HD12 LEU 125 2HD1 LEU 125 -4.045 4.904 15.205 911 HD13 LEU 125 3HD1 LEU 125 -3.126 3.838 14.142 912 HD21 LEU 125 3HD2 LEU 125 -4.410 6.543 13.386 913 HD22 LEU 125 1HD2 LEU 125 -5.109 6.024 11.853 914 HD23 LEU 125 2HD2 LEU 125 -3.467 5.544 12.280 915 H ALA 126 HN ALA 126 -6.516 2.259 15.250 916 HA ALA 126 HA ALA 126 -9.330 2.174 14.917 917 HB1 ALA 126 1HB ALA 126 -7.705 3.185 17.246 918 HB2 ALA 126 2HB ALA 126 -8.210 1.515 16.984 919 HB3 ALA 126 3HB ALA 126 -9.418 2.765 17.273 920 HA PRO 127 HA PRO 127 -10.328 6.282 13.664 921 HB2 PRO 127 2HB PRO 127 -12.565 6.183 15.614 922 HB3 PRO 127 1HB PRO 127 -12.600 6.456 13.869 923 HG2 PRO 127 2HG PRO 127 -13.401 4.131 14.897 924 HG3 PRO 127 1HG PRO 127 -12.493 4.192 13.375 925 HD2 PRO 127 2HD PRO 127 -11.548 3.468 16.120 926 HD3 PRO 127 1HD PRO 127 -11.132 2.737 14.554 927 H ASP 128 HN ASP 128 -10.118 5.556 17.079 928 HA ASP 128 HA ASP 128 -9.889 8.344 17.850 929 HB2 ASP 128 2HB ASP 128 -11.008 6.686 19.317 930 HB3 ASP 128 1HB ASP 128 -9.488 5.817 19.471 931 H ARG 129 HN ARG 129 -7.884 6.042 16.525 932 HA ARG 129 HA ARG 129 -5.655 5.722 16.286 933 HB2 ARG 129 2HB ARG 129 -5.765 8.286 15.985 934 HB3 ARG 129 1HB ARG 129 -5.153 8.377 17.629 935 HG2 ARG 129 2HG ARG 129 -3.455 6.586 16.333 936 HG3 ARG 129 1HG ARG 129 -3.742 7.877 15.165 937 HD2 ARG 129 2HD ARG 129 -1.813 8.436 16.486 938 HD3 ARG 129 1HD ARG 129 -3.130 9.528 16.914 939 HE ARG 129 HE ARG 129 -3.418 7.641 18.768 940 HH11 ARG 129 1HH1 ARG 129 -0.509 9.236 17.651 941 HH12 ARG 129 2HH1 ARG 129 0.312 9.102 19.179 942 HH21 ARG 129 1HH2 ARG 129 -2.366 7.453 20.780 943 HH22 ARG 129 2HH2 ARG 129 -0.747 8.074 20.962 944 H SER 130 HN SER 130 -7.174 5.147 18.807 945 HA SER 130 HA SER 130 -5.447 5.469 21.013 946 HB2 SER 130 2HB SER 130 -6.947 3.617 21.980 947 HB3 SER 130 1HB SER 130 -7.724 5.129 21.507 948 HG SER 130 HG SER 130 -8.251 2.673 20.645 949 H GLU 131 HN GLU 131 -5.856 2.903 18.631 950 HA GLU 131 HA GLU 131 -3.282 1.821 19.247 951 HB2 GLU 131 2HB GLU 131 -4.005 -0.408 19.915 952 HB3 GLU 131 1HB GLU 131 -4.616 0.788 21.051 953 HG2 GLU 131 2HG GLU 131 -6.795 0.715 19.889 954 HG3 GLU 131 1HG GLU 131 -6.166 -0.564 18.853 955 H PHE 132 HN PHE 132 -2.984 -0.286 17.976 956 HA PHE 132 HA PHE 132 -4.334 -0.052 15.377 957 HB2 PHE 132 2HB PHE 132 -1.625 -1.091 16.177 958 HB3 PHE 132 1HB PHE 132 -2.374 -1.613 14.673 959 HD1 PHE 132 1HD PHE 132 -2.664 -0.088 12.834 960 HD2 PHE 132 2HD PHE 132 -0.826 1.170 16.455 961 HE1 PHE 132 1HE PHE 132 -1.789 1.906 11.691 962 HE2 PHE 132 2HE PHE 132 0.047 3.168 15.321 963 HZ PHE 132 HZ PHE 132 -0.432 3.537 12.940 964 H HIS 133 HN HIS 133 -5.030 -1.976 14.346 965 HA HIS 133 HA HIS 133 -5.296 -4.306 16.140 966 HB2 HIS 133 2HB HIS 133 -7.307 -3.365 14.076 967 HB3 HIS 133 1HB HIS 133 -7.467 -4.786 15.095 968 HD1 HIS 133 1HD HIS 133 -8.681 -4.470 17.238 969 HD2 HIS 133 2HD HIS 133 -7.406 -0.870 15.605 970 HE1 HIS 133 1HE HIS 133 -9.720 -2.676 18.663 971 HE2 HIS 133 2HE HIS 133 -9.116 -0.520 17.517 972 H ARG 134 HN ARG 134 -4.809 -6.241 15.260 973 HA ARG 134 HA ARG 134 -3.309 -6.251 12.851 974 HB2 ARG 134 2HB ARG 134 -2.862 -7.806 14.679 975 HB3 ARG 134 1HB ARG 134 -4.399 -8.607 14.362 976 HG2 ARG 134 2HG ARG 134 -3.657 -9.576 12.453 977 HG3 ARG 134 1HG ARG 134 -2.550 -8.258 12.081 978 HD2 ARG 134 2HD ARG 134 -1.118 -9.941 12.618 979 HD3 ARG 134 1HD ARG 134 -1.271 -9.099 14.151 980 HE ARG 134 HE ARG 134 -2.934 -10.851 14.769 981 HH11 ARG 134 1HH1 ARG 134 -0.490 -11.508 12.346 982 HH12 ARG 134 2HH1 ARG 134 -0.531 -13.230 12.586 983 HH21 ARG 134 1HH2 ARG 134 -3.003 -13.100 15.073 984 HH22 ARG 134 2HH2 ARG 134 -1.975 -14.130 14.127 985 H GLU 135 HN GLU 135 -3.905 -6.495 10.876 986 HA GLU 135 HA GLU 135 -6.726 -6.871 10.281 987 HB2 GLU 135 2HB GLU 135 -4.544 -5.465 9.068 988 HB3 GLU 135 1HB GLU 135 -5.213 -6.592 7.899 989 HG2 GLU 135 2HG GLU 135 -6.928 -4.683 9.456 990 HG3 GLU 135 1HG GLU 135 -6.175 -4.258 7.922 991 H ASP 136 HN ASP 136 -7.249 -8.229 8.344 992 HA ASP 136 HA ASP 136 -5.725 -10.757 8.530 993 HB2 ASP 136 2HB ASP 136 -8.141 -10.585 9.523 994 HB3 ASP 136 1HB ASP 136 -8.643 -10.677 7.839 995 H ILE 137 HN ILE 137 -5.262 -11.823 6.643 996 HA ILE 137 HA ILE 137 -5.709 -10.272 4.199 997 HB ILE 137 HB ILE 137 -3.855 -12.615 4.676 998 HG12 ILE 137 2HG1 ILE 137 -3.156 -10.656 5.968 999 HG13 ILE 137 1HG1 ILE 137 -2.049 -10.927 4.632 1000 HG21 ILE 137 1HG2 ILE 137 -2.839 -11.954 2.535 1001 HG22 ILE 137 2HG2 ILE 137 -4.100 -10.738 2.329 1002 HG23 ILE 137 3HG2 ILE 137 -4.521 -12.450 2.352 1003 HD11 ILE 137 3HD1 ILE 137 -4.247 -8.881 4.694 1004 HD12 ILE 137 1HD1 ILE 137 -3.121 -9.150 3.364 1005 HD13 ILE 137 2HD1 ILE 137 -2.527 -8.569 4.922 1006 H VAL 138 HN VAL 138 -7.406 -10.809 3.043 1007 HA VAL 138 HA VAL 138 -8.056 -13.644 2.681 1008 HB VAL 138 HB VAL 138 -10.501 -12.894 2.593 1009 HG11 VAL 138 1HG1 VAL 138 -9.063 -12.862 5.241 1010 HG12 VAL 138 2HG1 VAL 138 -9.601 -14.297 4.370 1011 HG13 VAL 138 3HG1 VAL 138 -10.788 -13.158 5.006 1012 HG21 VAL 138 3HG2 VAL 138 -9.380 -10.580 4.164 1013 HG22 VAL 138 1HG2 VAL 138 -11.092 -10.955 3.953 1014 HG23 VAL 138 2HG2 VAL 138 -10.113 -10.488 2.563 1015 H ARG 139 HN ARG 139 -9.124 -14.127 0.699 1016 HA ARG 139 HA ARG 139 -8.427 -12.343 -1.457 1017 HB2 ARG 139 2HB ARG 139 -9.927 -14.971 -1.551 1018 HB3 ARG 139 1HB ARG 139 -9.239 -14.117 -2.913 1019 HG2 ARG 139 2HG ARG 139 -7.664 -15.730 -2.599 1020 HG3 ARG 139 1HG ARG 139 -6.997 -14.443 -1.592 1021 HD2 ARG 139 2HD ARG 139 -7.516 -15.516 0.361 1022 HD3 ARG 139 1HD ARG 139 -8.897 -16.355 -0.342 1023 HE ARG 139 HE ARG 139 -6.409 -17.236 -1.449 1024 HH11 ARG 139 1HH1 ARG 139 -8.538 -17.599 1.323 1025 HH12 ARG 139 2HH1 ARG 139 -8.033 -19.224 1.651 1026 HH21 ARG 139 1HH2 ARG 139 -5.765 -19.396 -1.011 1027 HH22 ARG 139 2HH2 ARG 139 -6.475 -20.237 0.338 1028 HA PRO 140 HA PRO 140 -12.593 -10.675 -1.819 1029 HB2 PRO 140 2HB PRO 140 -12.443 -9.896 -4.434 1030 HB3 PRO 140 1HB PRO 140 -11.785 -8.947 -3.098 1031 HG2 PRO 140 2HG PRO 140 -10.385 -10.739 -5.025 1032 HG3 PRO 140 1HG PRO 140 -9.849 -9.203 -4.322 1033 HD2 PRO 140 2HD PRO 140 -8.979 -11.646 -3.463 1034 HD3 PRO 140 1HD PRO 140 -9.056 -10.211 -2.423 1035 H ASP 141 HN ASP 141 -14.295 -11.979 -2.053 1036 HA ASP 141 HA ASP 141 -14.264 -14.530 -3.059 1037 HB2 ASP 141 2HB ASP 141 -16.049 -13.303 -1.630 1038 HB3 ASP 141 1HB ASP 141 -16.784 -12.892 -3.173 1039 HA PRO 142 HA PRO 142 -14.077 -14.120 -7.427 1040 HB2 PRO 142 2HB PRO 142 -15.373 -16.770 -7.525 1041 HB3 PRO 142 1HB PRO 142 -13.795 -16.266 -8.144 1042 HG2 PRO 142 2HG PRO 142 -13.977 -17.790 -5.964 1043 HG3 PRO 142 1HG PRO 142 -12.764 -16.499 -6.075 1044 HD2 PRO 142 2HD PRO 142 -15.404 -16.500 -4.648 1045 HD3 PRO 142 1HD PRO 142 -13.825 -15.906 -4.087 1046 H GLU 143 HN GLU 143 -16.620 -13.354 -6.009 1047 HA GLU 143 HA GLU 143 -18.363 -13.440 -8.368 1048 HB2 GLU 143 2HB GLU 143 -18.861 -12.411 -5.566 1049 HB3 GLU 143 1HB GLU 143 -19.990 -12.204 -6.893 1050 HG2 GLU 143 2HG GLU 143 -20.020 -14.723 -7.083 1051 HG3 GLU 143 1HG GLU 143 -19.161 -14.751 -5.542 1052 H ALA 144 HN ALA 144 -16.872 -11.257 -6.039 1053 HA ALA 144 HA ALA 144 -16.549 -8.994 -6.024 1054 HB1 ALA 144 1HB ALA 144 -14.922 -8.302 -7.676 1055 HB2 ALA 144 2HB ALA 144 -15.330 -9.683 -8.693 1056 HB3 ALA 144 3HB ALA 144 -14.568 -9.940 -7.121 1057 HA PRO 145 HA PRO 145 -20.070 -8.148 -8.903 1058 HB2 PRO 145 2HB PRO 145 -22.007 -7.677 -7.135 1059 HB3 PRO 145 1HB PRO 145 -21.488 -9.325 -7.507 1060 HG2 PRO 145 2HG PRO 145 -20.845 -7.622 -5.143 1061 HG3 PRO 145 1HG PRO 145 -21.167 -9.363 -5.218 1062 HD2 PRO 145 2HD PRO 145 -18.644 -8.183 -5.109 1063 HD3 PRO 145 1HD PRO 145 -18.981 -9.844 -5.633 1064 H LEU 146 HN LEU 146 -21.099 -6.241 -9.477 1065 HA LEU 146 HA LEU 146 -19.949 -3.820 -8.365 1066 HB2 LEU 146 2HB LEU 146 -21.730 -4.336 -10.745 1067 HB3 LEU 146 1HB LEU 146 -21.263 -2.730 -10.237 1068 HG LEU 146 HG LEU 146 -18.857 -3.470 -10.562 1069 HD11 LEU 146 1HD1 LEU 146 -18.458 -5.341 -12.060 1070 HD12 LEU 146 2HD1 LEU 146 -20.180 -5.725 -12.056 1071 HD13 LEU 146 3HD1 LEU 146 -19.239 -5.880 -10.573 1072 HD21 LEU 146 3HD2 LEU 146 -19.991 -1.994 -12.119 1073 HD22 LEU 146 1HD2 LEU 146 -20.687 -3.383 -12.954 1074 HD23 LEU 146 2HD2 LEU 146 -18.944 -3.119 -12.986 1075 H GLU 147 HN GLU 147 -21.749 -1.921 -8.429 1076 HA GLU 147 HA GLU 147 -23.466 -2.366 -6.272 1077 HB2 GLU 147 2HB GLU 147 -23.607 -0.205 -8.378 1078 HB3 GLU 147 1HB GLU 147 -24.317 -0.155 -6.787 1079 HG2 GLU 147 2HG GLU 147 -22.417 1.176 -6.637 1080 HG3 GLU 147 1HG GLU 147 -21.973 -0.345 -5.865 1081 H HIS 148 HN HIS 148 -23.809 -2.859 -9.654 1082 HA HIS 148 HA HIS 148 -26.483 -3.931 -9.275 1083 HB2 HIS 148 2HB HIS 148 -27.360 -2.779 -11.281 1084 HB3 HIS 148 1HB HIS 148 -26.931 -1.642 -10.010 1085 HD1 HIS 148 1HD HIS 148 -26.641 -2.059 -13.534 1086 HD2 HIS 148 2HD HIS 148 -24.161 -0.535 -10.558 1087 HE1 HIS 148 1HE HIS 148 -24.947 -0.629 -14.719 1088 HE2 HIS 148 2HE HIS 148 -23.625 0.469 -12.879 1089 H HIS 149 HN HIS 149 -26.923 -5.658 -10.597 1090 HA HIS 149 HA HIS 149 -24.650 -6.701 -12.094 1091 HB2 HIS 149 2HB HIS 149 -25.746 -8.234 -10.557 1092 HB3 HIS 149 1HB HIS 149 -27.302 -7.941 -11.322 1093 HD1 HIS 149 1HD HIS 149 -24.137 -9.887 -11.711 1094 HD2 HIS 149 2HD HIS 149 -27.708 -9.294 -13.761 1095 HE1 HIS 149 1HE HIS 149 -24.221 -11.685 -13.464 1096 HE2 HIS 149 2HE HIS 149 -26.491 -11.442 -14.531 1097 H HIS 150 HN HIS 150 -24.538 -5.641 -13.995 1098 HA HIS 150 HA HIS 150 -26.935 -5.650 -15.703 1099 HB2 HIS 150 2HB HIS 150 -26.117 -3.422 -15.366 1100 HB3 HIS 150 1HB HIS 150 -24.463 -3.909 -15.715 1101 HD1 HIS 150 1HD HIS 150 -23.746 -3.049 -17.887 1102 HD2 HIS 150 2HD HIS 150 -27.782 -4.064 -17.914 1103 HE1 HIS 150 1HE HIS 150 -24.559 -2.539 -20.216 1104 HE2 HIS 150 2HE HIS 150 -26.964 -3.299 -20.252 1105 H HIS 151 HN HIS 151 -26.986 -7.185 -17.183 1106 HA HIS 151 HA HIS 151 -24.624 -8.637 -17.917 1107 HB2 HIS 151 2HB HIS 151 -26.124 -9.847 -19.518 1108 HB3 HIS 151 1HB HIS 151 -26.639 -9.913 -17.844 1109 HD1 HIS 151 1HD HIS 151 -29.057 -10.400 -18.408 1110 HD2 HIS 151 2HD HIS 151 -27.671 -6.876 -20.122 1111 HE1 HIS 151 1HE HIS 151 -31.100 -9.216 -19.269 1112 HE2 HIS 151 2HE HIS 151 -30.195 -7.251 -20.558 1113 H HIS 152 HN HIS 152 -23.748 -8.830 -20.039 1114 HA HIS 152 HA HIS 152 -23.316 -6.238 -21.158 1115 HB2 HIS 152 2HB HIS 152 -21.639 -8.168 -20.947 1116 HB3 HIS 152 1HB HIS 152 -22.405 -8.833 -22.383 1117 HD1 HIS 152 1HD HIS 152 -21.006 -8.355 -24.341 1118 HD2 HIS 152 2HD HIS 152 -20.995 -5.206 -21.628 1119 HE1 HIS 152 1HE HIS 152 -19.543 -6.583 -25.363 1120 HE2 HIS 152 2HE HIS 152 -19.340 -4.820 -23.574 1121 H HIS 153 HN HIS 153 -25.084 -9.111 -22.156 1122 HA HIS 153 HA HIS 153 -26.626 -7.461 -24.000 1123 HB2 HIS 153 2HB HIS 153 -25.090 -9.913 -24.837 1124 HB3 HIS 153 1HB HIS 153 -26.563 -9.440 -25.673 1125 HD1 HIS 153 1HD HIS 153 -26.452 -6.807 -26.578 1126 HD2 HIS 153 2HD HIS 153 -22.877 -8.821 -25.893 1127 HE1 HIS 153 1HE HIS 153 -24.708 -5.570 -27.903 1128 HE2 HIS 153 2HE HIS 153 -22.624 -6.966 -27.678 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -8.349 -6.931 5.541 2 H2 MET 1 H2 MET 1 -8.046 -8.564 5.193 3 H3 MET 1 H3 MET 1 -9.476 -7.838 4.661 4 HA MET 1 HA MET 1 -8.247 -6.380 3.200 5 HB2 MET 1 2HB MET 1 -6.193 -6.238 4.512 6 HB3 MET 1 1HB MET 1 -5.867 -7.943 4.235 7 HG2 MET 1 2HG MET 1 -5.598 -7.499 1.845 8 HG3 MET 1 1HG MET 1 -5.928 -5.789 2.131 9 HE1 MET 1 2HE MET 1 -3.618 -5.291 0.810 10 HE2 MET 1 3HE MET 1 -3.298 -7.018 0.654 11 HE3 MET 1 1HE MET 1 -2.059 -5.946 1.313 12 H LYS 2 HN LYS 2 -8.719 -7.059 1.192 13 HA LYS 2 HA LYS 2 -8.477 -9.953 0.697 14 HB2 LYS 2 2HB LYS 2 -10.578 -8.000 -0.188 15 HB3 LYS 2 1HB LYS 2 -10.271 -9.465 -1.110 16 HG2 LYS 2 2HG LYS 2 -12.027 -10.031 0.295 17 HG3 LYS 2 1HG LYS 2 -10.615 -10.715 1.089 18 HD2 LYS 2 2HD LYS 2 -10.522 -8.753 2.577 19 HD3 LYS 2 1HD LYS 2 -11.969 -8.110 1.800 20 HE2 LYS 2 2HE LYS 2 -11.838 -10.767 3.222 21 HE3 LYS 2 1HE LYS 2 -12.395 -9.269 3.966 22 HZ1 LYS 2 3HZ LYS 2 -14.169 -9.140 2.344 23 HZ2 LYS 2 1HZ LYS 2 -14.237 -10.624 3.169 24 HZ3 LYS 2 2HZ LYS 2 -13.624 -10.560 1.592 25 H THR 3 HN THR 3 -7.048 -10.506 -0.721 26 HA THR 3 HA THR 3 -6.555 -8.988 -3.101 27 HB THR 3 HB THR 3 -5.234 -7.732 -1.375 28 HG1 THR 3 1HG THR 3 -4.435 -7.425 -3.366 29 HG21 THR 3 3HG2 THR 3 -4.549 -9.612 0.023 30 HG22 THR 3 1HG2 THR 3 -3.143 -8.725 -0.567 31 HG23 THR 3 2HG2 THR 3 -3.590 -10.264 -1.306 32 H THR 4 HN THR 4 -4.523 -10.003 -4.241 33 HA THR 4 HA THR 4 -4.896 -12.910 -4.057 34 HB THR 4 HB THR 4 -3.857 -12.898 -6.359 35 HG1 THR 4 1HG THR 4 -4.241 -10.586 -7.270 36 HG21 THR 4 3HG2 THR 4 -6.271 -13.066 -6.069 37 HG22 THR 4 1HG2 THR 4 -5.885 -12.089 -7.485 38 HG23 THR 4 2HG2 THR 4 -6.398 -11.307 -5.989 39 HA PRO 5 HA PRO 5 -0.752 -13.858 -2.769 40 HB2 PRO 5 2HB PRO 5 -0.034 -15.609 -4.829 41 HB3 PRO 5 1HB PRO 5 -0.857 -16.056 -3.335 42 HG2 PRO 5 2HG PRO 5 -1.992 -15.540 -6.042 43 HG3 PRO 5 1HG PRO 5 -2.487 -16.729 -4.824 44 HD2 PRO 5 2HD PRO 5 -3.901 -14.508 -5.234 45 HD3 PRO 5 1HD PRO 5 -3.685 -15.170 -3.602 46 H ASP 6 HN ASP 6 -1.347 -13.001 -6.107 47 HA ASP 6 HA ASP 6 1.178 -12.413 -7.037 48 HB2 ASP 6 2HB ASP 6 -1.432 -11.016 -7.580 49 HB3 ASP 6 1HB ASP 6 0.019 -10.825 -8.539 50 H ILE 7 HN ILE 7 -1.099 -10.279 -5.333 51 HA ILE 7 HA ILE 7 0.620 -8.024 -5.301 52 HB ILE 7 HB ILE 7 -1.735 -8.701 -3.537 53 HG12 ILE 7 2HG1 ILE 7 -2.289 -8.472 -5.921 54 HG13 ILE 7 1HG1 ILE 7 -2.967 -7.149 -4.976 55 HG21 ILE 7 1HG2 ILE 7 -0.312 -7.097 -2.406 56 HG22 ILE 7 2HG2 ILE 7 -1.780 -6.305 -2.976 57 HG23 ILE 7 3HG2 ILE 7 -0.265 -6.085 -3.849 58 HD11 ILE 7 3HD1 ILE 7 -2.060 -6.355 -7.077 59 HD12 ILE 7 1HD1 ILE 7 -0.482 -7.033 -6.674 60 HD13 ILE 7 2HD1 ILE 7 -1.141 -5.703 -5.721 61 H LEU 8 HN LEU 8 -0.029 -10.628 -3.015 62 HA LEU 8 HA LEU 8 1.380 -9.693 -0.807 63 HB2 LEU 8 2HB LEU 8 1.095 -12.547 -1.755 64 HB3 LEU 8 1HB LEU 8 1.573 -12.057 -0.141 65 HG LEU 8 HG LEU 8 -1.112 -11.495 -1.406 66 HD11 LEU 8 1HD1 LEU 8 -0.850 -13.851 -0.933 67 HD12 LEU 8 2HD1 LEU 8 -1.950 -13.123 0.240 68 HD13 LEU 8 3HD1 LEU 8 -0.286 -13.489 0.698 69 HD21 LEU 8 3HD2 LEU 8 -1.761 -10.762 0.834 70 HD22 LEU 8 1HD2 LEU 8 -0.452 -9.773 0.190 71 HD23 LEU 8 2HD2 LEU 8 -0.109 -11.012 1.398 72 H ASP 9 HN ASP 9 2.525 -11.644 -3.541 73 HA ASP 9 HA ASP 9 5.197 -11.851 -2.593 74 HB2 ASP 9 2HB ASP 9 4.158 -13.386 -4.271 75 HB3 ASP 9 1HB ASP 9 4.263 -12.093 -5.455 76 H GLN 10 HN GLN 10 3.595 -9.667 -4.872 77 HA GLN 10 HA GLN 10 5.850 -8.249 -5.713 78 HB2 GLN 10 2HB GLN 10 2.994 -7.345 -5.382 79 HB3 GLN 10 1HB GLN 10 4.241 -6.357 -6.132 80 HG2 GLN 10 2HG GLN 10 4.585 -8.137 -7.811 81 HG3 GLN 10 1HG GLN 10 3.248 -9.034 -7.090 82 HE21 GLN 10 1HE2 GLN 10 1.154 -8.263 -7.333 83 HE22 GLN 10 2HE2 GLN 10 0.735 -7.083 -8.528 84 H ILE 11 HN ILE 11 3.892 -7.874 -2.796 85 HA ILE 11 HA ILE 11 5.111 -5.528 -1.820 86 HB ILE 11 HB ILE 11 3.933 -7.846 -0.280 87 HG12 ILE 11 2HG1 ILE 11 2.363 -6.675 -1.794 88 HG13 ILE 11 1HG1 ILE 11 1.949 -6.445 -0.103 89 HG21 ILE 11 1HG2 ILE 11 4.631 -5.071 0.683 90 HG22 ILE 11 2HG2 ILE 11 5.452 -6.565 1.137 91 HG23 ILE 11 3HG2 ILE 11 3.776 -6.297 1.619 92 HD11 ILE 11 3HD1 ILE 11 2.982 -4.226 -0.162 93 HD12 ILE 11 1HD1 ILE 11 1.672 -4.386 -1.331 94 HD13 ILE 11 2HD1 ILE 11 3.349 -4.457 -1.871 95 H ARG 12 HN ARG 12 5.905 -8.940 -1.439 96 HA ARG 12 HA ARG 12 8.144 -8.681 0.230 97 HB2 ARG 12 2HB ARG 12 7.328 -10.752 -1.802 98 HB3 ARG 12 1HB ARG 12 8.789 -10.917 -0.839 99 HG2 ARG 12 2HG ARG 12 7.653 -11.379 1.061 100 HG3 ARG 12 1HG ARG 12 6.282 -10.360 0.623 101 HD2 ARG 12 2HD ARG 12 5.994 -12.938 0.667 102 HD3 ARG 12 1HD ARG 12 5.292 -12.007 -0.655 103 HE ARG 12 HE ARG 12 6.916 -12.863 -2.110 104 HH11 ARG 12 1HH1 ARG 12 7.335 -14.117 1.141 105 HH12 ARG 12 2HH1 ARG 12 8.329 -15.439 0.618 106 HH21 ARG 12 1HH2 ARG 12 8.218 -14.586 -2.761 107 HH22 ARG 12 2HH2 ARG 12 8.857 -15.681 -1.572 108 H VAL 13 HN VAL 13 7.860 -8.708 -3.307 109 HA VAL 13 HA VAL 13 10.599 -8.734 -3.895 110 HB VAL 13 HB VAL 13 8.334 -7.579 -5.534 111 HG11 VAL 13 1HG1 VAL 13 10.459 -6.709 -6.312 112 HG12 VAL 13 2HG1 VAL 13 9.839 -7.894 -7.462 113 HG13 VAL 13 3HG1 VAL 13 11.138 -8.336 -6.354 114 HG21 VAL 13 3HG2 VAL 13 9.632 -10.305 -5.565 115 HG22 VAL 13 1HG2 VAL 13 8.433 -9.734 -6.728 116 HG23 VAL 13 2HG2 VAL 13 7.994 -9.927 -5.032 117 H HIS 14 HN HIS 14 8.366 -5.932 -3.696 118 HA HIS 14 HA HIS 14 10.427 -4.070 -4.254 119 HB2 HIS 14 2HB HIS 14 8.909 -2.321 -3.805 120 HB3 HIS 14 1HB HIS 14 7.949 -3.609 -4.514 121 HD1 HIS 14 1HD HIS 14 8.754 -2.233 -1.047 122 HD2 HIS 14 2HD HIS 14 5.712 -4.176 -3.108 123 HE1 HIS 14 1HE HIS 14 6.818 -2.334 0.548 124 HE2 HIS 14 2HE HIS 14 4.951 -3.399 -0.762 125 H GLY 15 HN GLY 15 9.377 -5.613 -1.339 126 HA2 GLY 15 2HA GLY 15 10.534 -3.842 0.533 127 HA3 GLY 15 1HA GLY 15 10.202 -5.549 0.804 128 H ALA 16 HN ALA 16 11.808 -6.812 -0.962 129 HA ALA 16 HA ALA 16 14.385 -6.578 0.217 130 HB1 ALA 16 1HB ALA 16 15.044 -8.341 -1.318 131 HB2 ALA 16 2HB ALA 16 13.570 -8.100 -2.257 132 HB3 ALA 16 3HB ALA 16 13.474 -8.708 -0.603 133 H ASP 17 HN ASP 17 12.915 -5.370 -2.695 134 HA ASP 17 HA ASP 17 15.242 -4.614 -4.107 135 HB2 ASP 17 2HB ASP 17 12.951 -4.791 -5.064 136 HB3 ASP 17 1HB ASP 17 12.503 -3.347 -4.180 137 H ALA 18 HN ALA 18 13.242 -2.971 -1.742 138 HA ALA 18 HA ALA 18 14.729 -0.495 -2.011 139 HB1 ALA 18 1HB ALA 18 13.165 0.400 -0.387 140 HB2 ALA 18 2HB ALA 18 12.512 -1.214 -0.105 141 HB3 ALA 18 3HB ALA 18 12.309 -0.442 -1.679 142 H TYR 19 HN TYR 19 14.667 -3.249 0.095 143 HA TYR 19 HA TYR 19 15.729 -2.225 2.446 144 HB2 TYR 19 2HB TYR 19 14.946 -4.666 1.626 145 HB3 TYR 19 1HB TYR 19 16.691 -4.888 1.558 146 HD1 TYR 19 1HD TYR 19 14.054 -3.589 3.853 147 HD2 TYR 19 2HD TYR 19 17.787 -5.602 3.488 148 HE1 TYR 19 1HE TYR 19 14.068 -3.989 6.276 149 HE2 TYR 19 2HE TYR 19 17.805 -6.009 5.912 150 HH TYR 19 HH TYR 19 15.065 -5.566 7.866 151 HA PRO 20 HA PRO 20 17.303 -2.911 4.051 152 HB2 PRO 20 2HB PRO 20 19.061 -1.455 5.461 153 HB3 PRO 20 1HB PRO 20 19.486 -3.029 4.780 154 HG2 PRO 20 2HG PRO 20 20.134 -0.289 3.779 155 HG3 PRO 20 1HG PRO 20 21.153 -1.739 3.818 156 HD2 PRO 20 2HD PRO 20 19.807 -0.836 1.587 157 HD3 PRO 20 1HD PRO 20 20.330 -2.511 1.837 158 H GLU 21 HN GLU 21 17.322 -0.109 2.232 159 HA GLU 21 HA GLU 21 16.489 1.787 4.193 160 HB2 GLU 21 2HB GLU 21 16.127 1.790 1.190 161 HB3 GLU 21 1HB GLU 21 15.899 3.177 2.248 162 HG2 GLU 21 2HG GLU 21 18.196 3.283 2.769 163 HG3 GLU 21 1HG GLU 21 18.503 1.700 2.054 164 H GLU 22 HN GLU 22 14.408 2.594 4.585 165 HA GLU 22 HA GLU 22 12.358 0.592 4.413 166 HB2 GLU 22 2HB GLU 22 10.959 2.336 5.605 167 HB3 GLU 22 1HB GLU 22 12.393 1.779 6.450 168 HG2 GLU 22 2HG GLU 22 12.576 4.239 4.786 169 HG3 GLU 22 1HG GLU 22 11.767 4.321 6.349 170 H GLY 23 HN GLY 23 12.272 0.524 2.071 171 HA2 GLY 23 2HA GLY 23 11.209 2.689 0.559 172 HA3 GLY 23 1HA GLY 23 11.245 1.000 0.064 173 H CYS 24 HN CYS 24 9.357 3.559 1.239 174 HA CYS 24 HA CYS 24 7.111 1.752 1.837 175 HB2 CYS 24 2HB CYS 24 7.529 4.603 2.756 176 HB3 CYS 24 1HB CYS 24 6.208 3.539 3.230 177 HG CYS 24 HG CYS 24 9.501 3.302 4.111 178 H GLY 25 HN GLY 25 4.929 3.030 1.532 179 HA2 GLY 25 2HA GLY 25 4.632 4.950 -0.461 180 HA3 GLY 25 1HA GLY 25 4.648 3.384 -1.260 181 H PHE 26 HN PHE 26 2.468 3.753 -1.917 182 HA PHE 26 HA PHE 26 0.513 3.552 0.275 183 HB2 PHE 26 2HB PHE 26 0.190 5.000 -2.360 184 HB3 PHE 26 1HB PHE 26 -1.072 4.809 -1.149 185 HD1 PHE 26 1HD PHE 26 -1.004 6.060 0.927 186 HD2 PHE 26 2HD PHE 26 2.004 6.559 -2.046 187 HE1 PHE 26 1HE PHE 26 -0.270 8.140 2.020 188 HE2 PHE 26 2HE PHE 26 2.746 8.636 -0.954 189 HZ PHE 26 HZ PHE 26 1.607 9.428 1.081 190 H LEU 27 HN LEU 27 -1.354 2.321 -0.099 191 HA LEU 27 HA LEU 27 -1.062 0.285 -2.194 192 HB2 LEU 27 2HB LEU 27 -2.810 0.367 0.270 193 HB3 LEU 27 1HB LEU 27 -2.791 -0.942 -0.894 194 HG LEU 27 HG LEU 27 -0.406 -0.111 0.754 195 HD11 LEU 27 1HD1 LEU 27 -2.349 -2.379 1.158 196 HD12 LEU 27 2HD1 LEU 27 -2.179 -0.955 2.184 197 HD13 LEU 27 3HD1 LEU 27 -0.861 -2.120 2.070 198 HD21 LEU 27 3HD2 LEU 27 -0.926 -2.551 -0.944 199 HD22 LEU 27 1HD2 LEU 27 0.511 -2.253 0.035 200 HD23 LEU 27 2HD2 LEU 27 0.159 -1.220 -1.349 201 H LEU 28 HN LEU 28 -2.332 0.376 -3.941 202 HA LEU 28 HA LEU 28 -4.582 2.262 -3.864 203 HB2 LEU 28 2HB LEU 28 -3.107 1.180 -6.264 204 HB3 LEU 28 1HB LEU 28 -4.356 2.410 -6.284 205 HG LEU 28 HG LEU 28 -1.616 2.690 -5.038 206 HD11 LEU 28 1HD1 LEU 28 -1.253 4.336 -6.808 207 HD12 LEU 28 2HD1 LEU 28 -2.836 3.956 -7.485 208 HD13 LEU 28 3HD1 LEU 28 -1.567 2.732 -7.468 209 HD21 LEU 28 3HD2 LEU 28 -3.354 3.914 -3.799 210 HD22 LEU 28 1HD2 LEU 28 -3.837 4.716 -5.291 211 HD23 LEU 28 2HD2 LEU 28 -2.231 4.999 -4.619 212 H GLY 29 HN GLY 29 -6.601 1.586 -4.203 213 HA2 GLY 29 2HA GLY 29 -7.319 -0.735 -5.646 214 HA3 GLY 29 1HA GLY 29 -7.293 -1.093 -3.923 215 H THR 30 HN THR 30 -9.560 -1.468 -4.062 216 HA THR 30 HA THR 30 -11.078 1.030 -3.895 217 HB THR 30 HB THR 30 -13.004 -0.392 -4.987 218 HG1 THR 30 1HG THR 30 -11.373 -1.447 -6.802 219 HG21 THR 30 3HG2 THR 30 -12.383 0.521 -7.197 220 HG22 THR 30 1HG2 THR 30 -10.783 0.903 -6.565 221 HG23 THR 30 2HG2 THR 30 -12.209 1.699 -5.896 222 H VAL 31 HN VAL 31 -12.809 1.015 -2.468 223 HA VAL 31 HA VAL 31 -12.974 -1.313 -0.697 224 HB VAL 31 HB VAL 31 -14.166 1.453 -0.355 225 HG11 VAL 31 1HG1 VAL 31 -15.484 -0.225 0.806 226 HG12 VAL 31 2HG1 VAL 31 -14.583 0.743 1.973 227 HG13 VAL 31 3HG1 VAL 31 -14.031 -0.881 1.561 228 HG21 VAL 31 3HG2 VAL 31 -11.741 1.503 -0.239 229 HG22 VAL 31 1HG2 VAL 31 -11.751 0.191 0.941 230 HG23 VAL 31 2HG2 VAL 31 -12.441 1.759 1.360 231 H THR 32 HN THR 32 -14.741 -2.605 -0.651 232 HA THR 32 HA THR 32 -16.573 -2.420 -2.840 233 HB THR 32 HB THR 32 -17.574 -4.465 -1.963 234 HG1 THR 32 1HG THR 32 -16.641 -5.339 0.034 235 HG21 THR 32 3HG2 THR 32 -14.561 -4.532 -1.740 236 HG22 THR 32 1HG2 THR 32 -15.480 -4.651 -3.240 237 HG23 THR 32 2HG2 THR 32 -15.612 -5.920 -2.022 238 H ASP 33 HN ASP 33 -18.994 -2.909 -2.290 239 HA ASP 33 HA ASP 33 -20.055 -0.636 -0.966 240 HB2 ASP 33 2HB ASP 33 -21.365 -3.181 -1.941 241 HB3 ASP 33 1HB ASP 33 -22.265 -1.832 -1.255 242 H ASP 34 HN ASP 34 -19.264 -3.852 0.052 243 HA ASP 34 HA ASP 34 -20.820 -3.651 2.483 244 HB2 ASP 34 2HB ASP 34 -19.129 -5.829 1.298 245 HB3 ASP 34 1HB ASP 34 -19.709 -5.923 2.959 246 H GLY 35 HN GLY 35 -17.727 -2.778 1.473 247 HA2 GLY 35 2HA GLY 35 -16.532 -1.287 2.941 248 HA3 GLY 35 1HA GLY 35 -17.048 -2.278 4.294 249 H ASP 36 HN ASP 36 -16.031 -4.066 1.564 250 HA ASP 36 HA ASP 36 -13.692 -5.009 2.961 251 HB2 ASP 36 2HB ASP 36 -14.499 -5.526 0.101 252 HB3 ASP 36 1HB ASP 36 -13.261 -6.391 0.992 253 H ASN 37 HN ASN 37 -11.617 -4.548 2.605 254 HA ASN 37 HA ASN 37 -11.001 -2.412 0.695 255 HB2 ASN 37 2HB ASN 37 -9.525 -3.404 3.140 256 HB3 ASN 37 1HB ASN 37 -8.784 -2.323 1.967 257 HD21 ASN 37 1HD2 ASN 37 -8.537 -0.676 3.468 258 HD22 ASN 37 2HD2 ASN 37 -9.879 0.255 4.045 259 H ARG 38 HN ARG 38 -10.418 -3.196 -1.227 260 HA ARG 38 HA ARG 38 -8.740 -5.611 -1.271 261 HB2 ARG 38 2HB ARG 38 -9.614 -6.168 -3.404 262 HB3 ARG 38 1HB ARG 38 -10.999 -5.711 -2.424 263 HG2 ARG 38 2HG ARG 38 -10.506 -3.351 -3.496 264 HG3 ARG 38 1HG ARG 38 -9.790 -4.352 -4.756 265 HD2 ARG 38 2HD ARG 38 -12.599 -4.686 -3.700 266 HD3 ARG 38 1HD ARG 38 -12.184 -3.780 -5.151 267 HE ARG 38 HE ARG 38 -11.108 -6.299 -5.492 268 HH11 ARG 38 1HH1 ARG 38 -14.285 -4.952 -4.958 269 HH12 ARG 38 2HH1 ARG 38 -15.115 -6.170 -5.880 270 HH21 ARG 38 1HH2 ARG 38 -12.197 -7.928 -6.726 271 HH22 ARG 38 2HH2 ARG 38 -13.922 -7.864 -6.867 272 H VAL 39 HN VAL 39 -6.822 -5.559 -2.253 273 HA VAL 39 HA VAL 39 -5.896 -2.936 -3.218 274 HB VAL 39 HB VAL 39 -4.244 -5.220 -2.111 275 HG11 VAL 39 1HG1 VAL 39 -3.452 -2.419 -2.919 276 HG12 VAL 39 2HG1 VAL 39 -3.006 -3.909 -3.750 277 HG13 VAL 39 3HG1 VAL 39 -2.399 -3.591 -2.124 278 HG21 VAL 39 3HG2 VAL 39 -3.886 -3.744 -0.182 279 HG22 VAL 39 1HG2 VAL 39 -5.589 -4.162 -0.377 280 HG23 VAL 39 2HG2 VAL 39 -5.007 -2.571 -0.874 281 H ALA 40 HN ALA 40 -5.506 -2.744 -5.310 282 HA ALA 40 HA ALA 40 -5.128 -5.205 -6.886 283 HB1 ALA 40 1HB ALA 40 -6.139 -4.029 -8.762 284 HB2 ALA 40 2HB ALA 40 -6.294 -2.574 -7.779 285 HB3 ALA 40 3HB ALA 40 -7.218 -4.017 -7.368 286 H ALA 41 HN ALA 41 -3.872 -2.004 -6.209 287 HA ALA 41 HA ALA 41 -1.601 -2.588 -7.978 288 HB1 ALA 41 1HB ALA 41 -1.576 -0.325 -8.830 289 HB2 ALA 41 2HB ALA 41 -2.986 0.085 -7.854 290 HB3 ALA 41 3HB ALA 41 -3.134 -1.077 -9.173 291 H LEU 42 HN LEU 42 0.348 -1.507 -7.432 292 HA LEU 42 HA LEU 42 0.426 -0.581 -4.635 293 HB2 LEU 42 2HB LEU 42 2.656 -1.904 -6.181 294 HB3 LEU 42 1HB LEU 42 2.656 -1.495 -4.477 295 HG LEU 42 HG LEU 42 0.929 -3.598 -5.783 296 HD11 LEU 42 1HD1 LEU 42 3.266 -4.244 -5.670 297 HD12 LEU 42 2HD1 LEU 42 2.304 -5.173 -4.518 298 HD13 LEU 42 3HD1 LEU 42 3.309 -3.837 -3.954 299 HD21 LEU 42 3HD2 LEU 42 0.312 -4.202 -3.490 300 HD22 LEU 42 1HD2 LEU 42 -0.202 -2.563 -3.897 301 HD23 LEU 42 2HD2 LEU 42 1.222 -2.815 -2.888 302 H HIS 43 HN HIS 43 1.757 1.221 -4.167 303 HA HIS 43 HA HIS 43 3.019 2.501 -6.488 304 HB2 HIS 43 2HB HIS 43 0.836 3.600 -6.043 305 HB3 HIS 43 1HB HIS 43 1.377 3.971 -4.411 306 HD1 HIS 43 1HD HIS 43 1.894 4.960 -7.995 307 HD2 HIS 43 2HD HIS 43 3.131 6.133 -4.195 308 HE1 HIS 43 1HE HIS 43 3.010 7.193 -8.303 309 HE2 HIS 43 2HE HIS 43 3.912 7.785 -6.027 310 H ARG 44 HN ARG 44 5.075 2.843 -6.124 311 HA ARG 44 HA ARG 44 6.109 2.911 -3.395 312 HB2 ARG 44 2HB ARG 44 7.479 2.827 -6.088 313 HB3 ARG 44 1HB ARG 44 8.349 2.987 -4.570 314 HG2 ARG 44 2HG ARG 44 7.406 0.835 -3.831 315 HG3 ARG 44 1HG ARG 44 6.609 0.672 -5.397 316 HD2 ARG 44 2HD ARG 44 9.589 0.954 -5.021 317 HD3 ARG 44 1HD ARG 44 8.754 -0.589 -5.206 318 HE ARG 44 HE ARG 44 7.972 0.855 -7.387 319 HH11 ARG 44 1HH1 ARG 44 11.079 -0.058 -6.037 320 HH12 ARG 44 2HH1 ARG 44 11.872 -0.120 -7.585 321 HH21 ARG 44 1HH2 ARG 44 9.019 0.774 -9.413 322 HH22 ARG 44 2HH2 ARG 44 10.703 0.367 -9.494 323 H ALA 45 HN ALA 45 7.044 4.698 -2.448 324 HA ALA 45 HA ALA 45 6.225 7.256 -3.232 325 HB1 ALA 45 1HB ALA 45 8.559 6.522 -1.467 326 HB2 ALA 45 2HB ALA 45 6.882 6.678 -0.945 327 HB3 ALA 45 3HB ALA 45 7.756 8.092 -1.535 328 H THR 46 HN THR 46 6.729 7.864 -5.267 329 HA THR 46 HA THR 46 9.524 8.461 -5.833 330 HB THR 46 HB THR 46 7.767 7.086 -7.883 331 HG1 THR 46 1HG THR 46 9.310 6.041 -5.856 332 HG21 THR 46 3HG2 THR 46 9.861 6.819 -9.122 333 HG22 THR 46 1HG2 THR 46 10.736 7.655 -7.837 334 HG23 THR 46 2HG2 THR 46 9.537 8.521 -8.795 335 H ASN 47 HN ASN 47 9.781 10.252 -7.175 336 HA ASN 47 HA ASN 47 7.527 12.008 -7.315 337 HB2 ASN 47 2HB ASN 47 9.255 13.499 -8.547 338 HB3 ASN 47 1HB ASN 47 9.478 13.167 -6.834 339 HD21 ASN 47 1HD2 ASN 47 11.110 11.769 -6.182 340 HD22 ASN 47 2HD2 ASN 47 12.452 11.384 -7.219 341 H ARG 48 HN ARG 48 6.016 11.649 -8.743 342 HA ARG 48 HA ARG 48 6.465 10.436 -11.285 343 HB2 ARG 48 2HB ARG 48 4.358 10.183 -9.997 344 HB3 ARG 48 1HB ARG 48 4.022 11.890 -10.240 345 HG2 ARG 48 2HG ARG 48 3.992 11.465 -12.694 346 HG3 ARG 48 1HG ARG 48 4.150 9.742 -12.347 347 HD2 ARG 48 2HD ARG 48 2.075 9.877 -10.994 348 HD3 ARG 48 1HD ARG 48 1.900 11.559 -11.485 349 HE ARG 48 HE ARG 48 2.102 9.687 -13.674 350 HH11 ARG 48 1HH1 ARG 48 -0.044 11.429 -11.521 351 HH12 ARG 48 2HH1 ARG 48 -1.455 11.172 -12.511 352 HH21 ARG 48 1HH2 ARG 48 0.239 9.381 -14.999 353 HH22 ARG 48 2HH2 ARG 48 -1.293 10.020 -14.470 354 H ARG 49 HN ARG 49 7.903 11.744 -12.431 355 HA ARG 49 HA ARG 49 7.049 14.447 -13.060 356 HB2 ARG 49 2HB ARG 49 9.131 14.540 -14.440 357 HB3 ARG 49 1HB ARG 49 9.404 14.230 -12.734 358 HG2 ARG 49 2HG ARG 49 9.761 11.865 -13.208 359 HG3 ARG 49 1HG ARG 49 9.446 12.156 -14.920 360 HD2 ARG 49 2HD ARG 49 11.356 13.688 -15.004 361 HD3 ARG 49 1HD ARG 49 11.674 13.377 -13.299 362 HE ARG 49 HE ARG 49 11.646 10.946 -14.735 363 HH11 ARG 49 1HH1 ARG 49 13.584 13.823 -14.268 364 HH12 ARG 49 2HH1 ARG 49 15.092 13.008 -14.572 365 HH21 ARG 49 1HH2 ARG 49 13.613 9.871 -15.167 366 HH22 ARG 49 2HH2 ARG 49 15.106 10.772 -15.123 367 H SER 50 HN SER 50 5.340 14.459 -14.312 368 HA SER 50 HA SER 50 5.194 12.617 -16.579 369 HB2 SER 50 2HB SER 50 3.339 12.820 -14.813 370 HB3 SER 50 1HB SER 50 2.976 14.385 -15.540 371 HG SER 50 HG SER 50 1.913 13.359 -17.013 372 H GLU 51 HN GLU 51 3.327 14.183 -18.084 373 HA GLU 51 HA GLU 51 5.198 15.867 -19.451 374 HB2 GLU 51 2HB GLU 51 3.452 16.231 -21.090 375 HB3 GLU 51 1HB GLU 51 3.560 14.525 -20.700 376 HG2 GLU 51 2HG GLU 51 1.513 16.369 -19.495 377 HG3 GLU 51 1HG GLU 51 1.246 15.442 -20.969 378 H GLN 52 HN GLN 52 5.127 18.075 -19.745 379 HA GLN 52 HA GLN 52 3.813 19.555 -17.598 380 HB2 GLN 52 2HB GLN 52 5.852 20.434 -19.658 381 HB3 GLN 52 1HB GLN 52 5.249 21.431 -18.342 382 HG2 GLN 52 2HG GLN 52 6.658 18.817 -17.889 383 HG3 GLN 52 1HG GLN 52 7.503 20.358 -17.996 384 HE21 GLN 52 1HE2 GLN 52 8.250 20.114 -15.881 385 HE22 GLN 52 2HE2 GLN 52 7.216 20.382 -14.515 386 H ARG 53 HN ARG 53 3.165 21.917 -18.414 387 HA ARG 53 HA ARG 53 1.712 23.234 -19.567 388 HB2 ARG 53 2HB ARG 53 2.360 21.271 -21.747 389 HB3 ARG 53 1HB ARG 53 1.156 22.527 -21.979 390 HG2 ARG 53 2HG ARG 53 2.831 24.238 -21.569 391 HG3 ARG 53 1HG ARG 53 4.048 22.988 -21.279 392 HD2 ARG 53 2HD ARG 53 3.954 22.246 -23.523 393 HD3 ARG 53 1HD ARG 53 2.487 23.165 -23.843 394 HE ARG 53 HE ARG 53 4.428 25.014 -23.142 395 HH11 ARG 53 1HH1 ARG 53 4.000 22.583 -25.615 396 HH12 ARG 53 2HH1 ARG 53 4.848 23.478 -26.843 397 HH21 ARG 53 1HH2 ARG 53 5.533 26.231 -24.759 398 HH22 ARG 53 2HH2 ARG 53 5.713 25.552 -26.350 399 H THR 54 HN THR 54 1.013 20.427 -18.310 400 HA THR 54 HA THR 54 -1.540 19.904 -19.574 401 HB THR 54 HB THR 54 -0.089 18.036 -18.828 402 HG1 THR 54 1HG THR 54 -1.776 16.827 -17.954 403 HG21 THR 54 3HG2 THR 54 0.088 17.507 -16.444 404 HG22 THR 54 1HG2 THR 54 -0.757 19.003 -16.045 405 HG23 THR 54 2HG2 THR 54 0.832 19.066 -16.808 406 H ARG 55 HN ARG 55 -0.653 22.260 -17.610 407 HA ARG 55 HA ARG 55 -1.656 23.617 -16.085 408 HB2 ARG 55 2HB ARG 55 -4.065 22.064 -17.035 409 HB3 ARG 55 1HB ARG 55 -4.196 23.318 -15.810 410 HG2 ARG 55 2HG ARG 55 -3.560 25.003 -17.315 411 HG3 ARG 55 1HG ARG 55 -2.958 23.836 -18.492 412 HD2 ARG 55 2HD ARG 55 -5.152 24.881 -19.078 413 HD3 ARG 55 1HD ARG 55 -5.165 23.121 -19.031 414 HE ARG 55 HE ARG 55 -6.281 23.292 -16.856 415 HH11 ARG 55 1HH1 ARG 55 -6.275 26.131 -18.919 416 HH12 ARG 55 2HH1 ARG 55 -7.699 26.809 -18.186 417 HH21 ARG 55 1HH2 ARG 55 -8.177 24.180 -15.931 418 HH22 ARG 55 2HH2 ARG 55 -8.778 25.703 -16.507 419 H ARG 56 HN ARG 56 -3.435 23.268 -14.069 420 HA ARG 56 HA ARG 56 -3.730 22.394 -12.002 421 HB2 ARG 56 2HB ARG 56 -3.326 19.904 -13.627 422 HB3 ARG 56 1HB ARG 56 -3.552 19.812 -11.884 423 HG2 ARG 56 2HG ARG 56 -5.465 21.113 -13.811 424 HG3 ARG 56 1HG ARG 56 -5.645 19.496 -13.122 425 HD2 ARG 56 2HD ARG 56 -5.842 20.368 -10.917 426 HD3 ARG 56 1HD ARG 56 -5.377 21.982 -11.452 427 HE ARG 56 HE ARG 56 -7.514 22.053 -12.677 428 HH11 ARG 56 1HH1 ARG 56 -7.141 19.705 -10.109 429 HH12 ARG 56 2HH1 ARG 56 -8.834 19.679 -9.714 430 HH21 ARG 56 1HH2 ARG 56 -9.725 22.018 -12.179 431 HH22 ARG 56 2HH2 ARG 56 -10.316 21.004 -10.895 432 H TYR 57 HN TYR 57 -1.499 23.618 -11.924 433 HA TYR 57 HA TYR 57 0.701 21.870 -11.234 434 HB2 TYR 57 2HB TYR 57 0.436 24.882 -11.223 435 HB3 TYR 57 1HB TYR 57 1.915 24.018 -10.806 436 HD1 TYR 57 2HD TYR 57 3.029 22.591 -12.548 437 HD2 TYR 57 1HD TYR 57 -0.166 25.234 -13.500 438 HE1 TYR 57 2HE TYR 57 3.635 22.460 -14.928 439 HE2 TYR 57 1HE TYR 57 0.432 25.105 -15.882 440 HH TYR 57 HH TYR 57 2.429 24.593 -17.256 441 H GLU 58 HN GLU 58 1.818 23.409 -9.098 442 HA GLU 58 HA GLU 58 1.886 23.337 -6.828 443 HB2 GLU 58 2HB GLU 58 -1.038 23.559 -7.282 444 HB3 GLU 58 1HB GLU 58 -0.545 22.919 -5.721 445 HG2 GLU 58 2HG GLU 58 0.510 25.498 -6.840 446 HG3 GLU 58 1HG GLU 58 -0.930 25.396 -5.826 447 H LEU 59 HN LEU 59 1.596 21.008 -8.763 448 HA LEU 59 HA LEU 59 0.603 18.806 -7.309 449 HB2 LEU 59 2HB LEU 59 2.019 17.481 -8.969 450 HB3 LEU 59 1HB LEU 59 0.736 18.481 -9.614 451 HG LEU 59 HG LEU 59 2.616 20.243 -9.973 452 HD11 LEU 59 1HD1 LEU 59 4.364 19.084 -8.741 453 HD12 LEU 59 2HD1 LEU 59 4.804 19.274 -10.437 454 HD13 LEU 59 3HD1 LEU 59 4.244 17.711 -9.841 455 HD21 LEU 59 3HD2 LEU 59 2.420 17.748 -11.649 456 HD22 LEU 59 1HD2 LEU 59 3.083 19.294 -12.177 457 HD23 LEU 59 2HD2 LEU 59 1.375 19.165 -11.756 458 H THR 60 HN THR 60 1.643 17.282 -6.081 459 HA THR 60 HA THR 60 4.365 17.981 -5.223 460 HB THR 60 HB THR 60 2.197 16.913 -3.403 461 HG1 THR 60 1HG THR 60 2.547 19.397 -4.377 462 HG21 THR 60 3HG2 THR 60 4.914 18.122 -2.852 463 HG22 THR 60 1HG2 THR 60 4.479 16.422 -2.680 464 HG23 THR 60 2HG2 THR 60 3.744 17.630 -1.626 465 H ALA 61 HN ALA 61 5.601 16.442 -6.034 466 HA ALA 61 HA ALA 61 4.615 13.788 -6.529 467 HB1 ALA 61 1HB ALA 61 7.384 14.929 -6.878 468 HB2 ALA 61 2HB ALA 61 6.115 14.917 -8.103 469 HB3 ALA 61 3HB ALA 61 6.799 13.397 -7.525 470 H ASP 62 HN ASP 62 6.026 11.900 -5.886 471 HA ASP 62 HA ASP 62 6.901 10.504 -4.336 472 HB2 ASP 62 2HB ASP 62 7.764 13.055 -2.962 473 HB3 ASP 62 1HB ASP 62 8.165 11.447 -2.374 474 H ASP 63 HN ASP 63 5.098 13.211 -2.985 475 HA ASP 63 HA ASP 63 4.311 11.693 -0.655 476 HB2 ASP 63 2HB ASP 63 4.920 14.212 -0.787 477 HB3 ASP 63 1HB ASP 63 3.283 14.424 -1.392 478 H TYR 64 HN TYR 64 1.766 12.698 -0.203 479 HA TYR 64 HA TYR 64 0.261 10.613 -1.293 480 HB2 TYR 64 2HB TYR 64 -0.326 11.491 0.841 481 HB3 TYR 64 1HB TYR 64 -0.523 13.116 0.196 482 HD1 TYR 64 1HD TYR 64 -2.017 9.727 0.268 483 HD2 TYR 64 2HD TYR 64 -2.592 13.825 -0.730 484 HE1 TYR 64 1HE TYR 64 -4.421 9.308 -0.057 485 HE2 TYR 64 2HE TYR 64 -4.991 13.416 -1.056 486 HH TYR 64 HH TYR 64 -6.426 11.384 -1.684 487 H ARG 65 HN ARG 65 0.378 14.043 -2.206 488 HA ARG 65 HA ARG 65 -1.958 14.163 -3.678 489 HB2 ARG 65 2HB ARG 65 0.615 15.681 -3.834 490 HB3 ARG 65 1HB ARG 65 -0.677 15.996 -4.982 491 HG2 ARG 65 2HG ARG 65 -2.201 16.465 -3.109 492 HG3 ARG 65 1HG ARG 65 -0.864 16.208 -1.988 493 HD2 ARG 65 2HD ARG 65 0.335 18.075 -2.896 494 HD3 ARG 65 1HD ARG 65 -0.853 18.268 -4.183 495 HE ARG 65 HE ARG 65 -2.332 18.526 -1.922 496 HH11 ARG 65 1HH1 ARG 65 0.605 20.084 -3.041 497 HH12 ARG 65 2HH1 ARG 65 0.259 21.592 -2.243 498 HH21 ARG 65 1HH2 ARG 65 -2.803 20.491 -0.910 499 HH22 ARG 65 2HH2 ARG 65 -1.689 21.824 -1.026 500 H ALA 66 HN ALA 66 1.203 13.016 -4.728 501 HA ALA 66 HA ALA 66 0.465 12.844 -7.486 502 HB1 ALA 66 1HB ALA 66 2.736 11.488 -6.033 503 HB2 ALA 66 2HB ALA 66 2.808 13.073 -6.805 504 HB3 ALA 66 3HB ALA 66 2.556 11.626 -7.782 505 H ALA 67 HN ALA 67 0.611 10.543 -4.808 506 HA ALA 67 HA ALA 67 -0.145 8.277 -6.354 507 HB1 ALA 67 1HB ALA 67 0.968 8.053 -4.188 508 HB2 ALA 67 2HB ALA 67 -0.570 7.191 -4.211 509 HB3 ALA 67 3HB ALA 67 -0.443 8.745 -3.387 510 H ASP 68 HN ASP 68 -1.869 10.743 -4.576 511 HA ASP 68 HA ASP 68 -4.459 9.705 -4.600 512 HB2 ASP 68 2HB ASP 68 -3.790 11.709 -3.346 513 HB3 ASP 68 1HB ASP 68 -3.557 12.585 -4.852 514 H ALA 69 HN ALA 69 -2.773 11.694 -7.008 515 HA ALA 69 HA ALA 69 -4.980 11.889 -8.787 516 HB1 ALA 69 1HB ALA 69 -3.378 12.784 -10.384 517 HB2 ALA 69 2HB ALA 69 -2.042 12.227 -9.377 518 HB3 ALA 69 3HB ALA 69 -3.121 13.492 -8.789 519 H ALA 70 HN ALA 70 -2.065 9.850 -8.809 520 HA ALA 70 HA ALA 70 -2.624 8.504 -11.214 521 HB1 ALA 70 1HB ALA 70 -0.968 6.870 -10.480 522 HB2 ALA 70 2HB ALA 70 -1.036 7.519 -8.843 523 HB3 ALA 70 3HB ALA 70 -0.409 8.514 -10.157 524 H ALA 71 HN ALA 71 -3.664 7.911 -7.918 525 HA ALA 71 HA ALA 71 -4.733 5.336 -8.288 526 HB1 ALA 71 1HB ALA 71 -4.370 6.320 -6.078 527 HB2 ALA 71 2HB ALA 71 -6.043 5.797 -6.276 528 HB3 ALA 71 3HB ALA 71 -5.633 7.508 -6.397 529 H GLN 72 HN GLN 72 -6.281 8.540 -8.465 530 HA GLN 72 HA GLN 72 -8.834 7.563 -9.173 531 HB2 GLN 72 2HB GLN 72 -7.606 10.273 -9.681 532 HB3 GLN 72 1HB GLN 72 -9.314 9.890 -9.855 533 HG2 GLN 72 2HG GLN 72 -9.359 9.290 -7.444 534 HG3 GLN 72 1HG GLN 72 -7.693 9.851 -7.318 535 HE21 GLN 72 1HE2 GLN 72 -10.099 10.819 -5.997 536 HE22 GLN 72 2HE2 GLN 72 -10.233 12.499 -6.410 537 H GLU 73 HN GLU 73 -6.051 8.574 -11.071 538 HA GLU 73 HA GLU 73 -7.201 8.500 -13.610 539 HB2 GLU 73 2HB GLU 73 -4.411 8.015 -12.608 540 HB3 GLU 73 1HB GLU 73 -4.799 7.992 -14.317 541 HG2 GLU 73 2HG GLU 73 -5.718 10.291 -14.058 542 HG3 GLU 73 1HG GLU 73 -5.100 10.289 -12.412 543 H GLN 74 HN GLN 74 -5.902 5.954 -11.600 544 HA GLN 74 HA GLN 74 -6.280 3.939 -13.635 545 HB2 GLN 74 2HB GLN 74 -5.315 3.882 -10.792 546 HB3 GLN 74 1HB GLN 74 -5.579 2.413 -11.716 547 HG2 GLN 74 2HG GLN 74 -3.924 3.003 -13.307 548 HG3 GLN 74 1HG GLN 74 -3.794 4.635 -12.654 549 HE21 GLN 74 1HE2 GLN 74 -3.822 3.829 -9.906 550 HE22 GLN 74 2HE2 GLN 74 -2.298 3.090 -9.587 551 H GLY 75 HN GLY 75 -8.350 5.486 -11.580 552 HA2 GLY 75 2HA GLY 75 -10.604 5.055 -11.227 553 HA3 GLY 75 1HA GLY 75 -10.386 3.465 -11.941 554 H LEU 76 HN LEU 76 -8.337 4.556 -9.374 555 HA LEU 76 HA LEU 76 -9.755 2.827 -7.460 556 HB2 LEU 76 2HB LEU 76 -6.763 3.108 -7.792 557 HB3 LEU 76 1HB LEU 76 -7.576 2.119 -6.599 558 HG LEU 76 HG LEU 76 -7.715 1.669 -9.581 559 HD11 LEU 76 1HD1 LEU 76 -6.263 -0.252 -9.149 560 HD12 LEU 76 2HD1 LEU 76 -6.123 0.234 -7.460 561 HD13 LEU 76 3HD1 LEU 76 -5.472 1.267 -8.731 562 HD21 LEU 76 3HD2 LEU 76 -8.666 -0.013 -7.262 563 HD22 LEU 76 1HD2 LEU 76 -8.703 -0.484 -8.961 564 HD23 LEU 76 2HD2 LEU 76 -9.690 0.867 -8.398 565 H ASP 77 HN ASP 77 -8.654 3.291 -5.169 566 HA ASP 77 HA ASP 77 -7.816 6.072 -4.935 567 HB2 ASP 77 2HB ASP 77 -9.328 6.531 -3.092 568 HB3 ASP 77 1HB ASP 77 -10.252 6.087 -4.517 569 H VAL 78 HN VAL 78 -7.278 6.417 -2.427 570 HA VAL 78 HA VAL 78 -5.243 4.421 -1.918 571 HB VAL 78 HB VAL 78 -5.879 6.887 -0.279 572 HG11 VAL 78 1HG1 VAL 78 -3.406 5.163 -0.432 573 HG12 VAL 78 2HG1 VAL 78 -4.543 5.240 0.914 574 HG13 VAL 78 3HG1 VAL 78 -3.564 6.649 0.507 575 HG21 VAL 78 3HG2 VAL 78 -3.889 6.550 -2.526 576 HG22 VAL 78 1HG2 VAL 78 -4.069 7.984 -1.512 577 HG23 VAL 78 2HG2 VAL 78 -5.374 7.497 -2.596 578 H VAL 79 HN VAL 79 -6.024 2.582 -1.075 579 HA VAL 79 HA VAL 79 -8.080 2.722 0.994 580 HB VAL 79 HB VAL 79 -8.212 0.260 0.757 581 HG11 VAL 79 1HG1 VAL 79 -9.699 1.648 -0.537 582 HG12 VAL 79 2HG1 VAL 79 -9.196 0.265 -1.509 583 HG13 VAL 79 3HG1 VAL 79 -8.477 1.852 -1.790 584 HG21 VAL 79 3HG2 VAL 79 -6.188 0.660 -1.449 585 HG22 VAL 79 1HG2 VAL 79 -7.062 -0.838 -1.115 586 HG23 VAL 79 2HG2 VAL 79 -5.922 -0.198 0.068 587 H GLY 80 HN GLY 80 -4.710 2.364 0.699 588 HA2 GLY 80 2HA GLY 80 -4.436 2.038 3.533 589 HA3 GLY 80 1HA GLY 80 -3.982 0.595 2.644 590 H VAL 81 HN VAL 81 -2.138 1.658 4.154 591 HA VAL 81 HA VAL 81 -0.211 2.746 2.218 592 HB VAL 81 HB VAL 81 -0.209 3.604 5.110 593 HG11 VAL 81 1HG1 VAL 81 1.230 5.409 4.310 594 HG12 VAL 81 2HG1 VAL 81 1.143 4.740 2.680 595 HG13 VAL 81 3HG1 VAL 81 1.907 3.815 3.974 596 HG21 VAL 81 3HG2 VAL 81 -2.295 4.419 4.155 597 HG22 VAL 81 1HG2 VAL 81 -1.412 5.127 2.804 598 HG23 VAL 81 2HG2 VAL 81 -1.177 5.755 4.435 599 H TYR 82 HN TYR 82 2.042 2.163 2.861 600 HA TYR 82 HA TYR 82 2.130 0.017 4.832 601 HB2 TYR 82 2HB TYR 82 3.411 -1.463 3.343 602 HB3 TYR 82 1HB TYR 82 1.784 -1.166 2.754 603 HD1 TYR 82 1HD TYR 82 5.360 -0.485 2.182 604 HD2 TYR 82 2HD TYR 82 1.406 -0.051 0.667 605 HE1 TYR 82 1HE TYR 82 6.275 0.115 -0.018 606 HE2 TYR 82 2HE TYR 82 2.313 0.558 -1.534 607 HH TYR 82 HH TYR 82 4.401 1.496 -2.471 608 H HIS 83 HN HIS 83 4.068 -0.334 5.822 609 HA HIS 83 HA HIS 83 6.218 1.600 5.215 610 HB2 HIS 83 2HB HIS 83 5.283 0.628 7.929 611 HB3 HIS 83 1HB HIS 83 6.761 1.539 7.668 612 HD1 HIS 83 1HD HIS 83 4.738 2.656 9.574 613 HD2 HIS 83 2HD HIS 83 4.751 3.559 5.506 614 HE1 HIS 83 1HE HIS 83 3.471 4.814 9.350 615 HE2 HIS 83 2HE HIS 83 3.715 5.467 6.932 616 H SER 84 HN SER 84 8.325 0.825 5.398 617 HA SER 84 HA SER 84 8.556 -2.092 5.698 618 HB2 SER 84 2HB SER 84 9.293 -1.105 3.511 619 HB3 SER 84 1HB SER 84 10.518 -0.188 4.387 620 HG SER 84 HG SER 84 11.696 -1.929 4.555 621 H HIS 85 HN HIS 85 10.031 -2.942 7.173 622 HA HIS 85 HA HIS 85 11.164 -0.962 9.039 623 HB2 HIS 85 2HB HIS 85 10.255 -3.811 9.418 624 HB3 HIS 85 1HB HIS 85 11.365 -3.059 10.554 625 HD1 HIS 85 1HD HIS 85 9.460 -3.437 12.341 626 HD2 HIS 85 2HD HIS 85 8.564 -0.704 9.337 627 HE1 HIS 85 1HE HIS 85 7.470 -2.137 13.177 628 HE2 HIS 85 2HE HIS 85 6.894 -0.536 11.321 629 HA PRO 86 HA PRO 86 15.138 -2.754 7.974 630 HB2 PRO 86 2HB PRO 86 16.655 -0.889 9.152 631 HB3 PRO 86 1HB PRO 86 15.725 -0.525 7.696 632 HG2 PRO 86 2HG PRO 86 15.252 0.312 10.489 633 HG3 PRO 86 1HG PRO 86 14.738 1.083 8.981 634 HD2 PRO 86 2HD PRO 86 13.216 -0.643 10.711 635 HD3 PRO 86 1HD PRO 86 12.687 0.148 9.215 636 H ASP 87 HN ASP 87 13.622 -2.702 10.903 637 HA ASP 87 HA ASP 87 15.601 -4.354 12.223 638 HB2 ASP 87 2HB ASP 87 16.336 -2.097 12.833 639 HB3 ASP 87 1HB ASP 87 14.714 -1.702 13.392 640 H HIS 88 HN HIS 88 14.673 -5.797 13.565 641 HA HIS 88 HA HIS 88 13.117 -7.024 14.649 642 HB2 HIS 88 2HB HIS 88 12.056 -4.266 15.075 643 HB3 HIS 88 1HB HIS 88 11.024 -5.633 15.487 644 HD1 HIS 88 1HD HIS 88 14.196 -3.909 16.492 645 HD2 HIS 88 2HD HIS 88 11.833 -7.108 17.715 646 HE1 HIS 88 1HE HIS 88 15.053 -4.561 18.764 647 HE2 HIS 88 2HE HIS 88 13.761 -6.637 19.371 648 HA PRO 89 HA PRO 89 10.191 -8.517 11.764 649 HB2 PRO 89 2HB PRO 89 8.230 -9.021 13.908 650 HB3 PRO 89 1HB PRO 89 9.045 -10.165 12.838 651 HG2 PRO 89 2HG PRO 89 9.685 -9.987 15.427 652 HG3 PRO 89 1HG PRO 89 10.918 -10.297 14.190 653 HD2 PRO 89 2HD PRO 89 10.251 -7.742 15.602 654 HD3 PRO 89 1HD PRO 89 11.841 -8.424 15.202 655 H ALA 90 HN ALA 90 7.593 -8.606 11.491 656 HA ALA 90 HA ALA 90 6.913 -5.854 10.958 657 HB1 ALA 90 1HB ALA 90 5.071 -6.768 9.662 658 HB2 ALA 90 2HB ALA 90 5.418 -8.381 10.283 659 HB3 ALA 90 3HB ALA 90 6.587 -7.567 9.244 660 H ARG 91 HN ARG 91 6.684 -5.233 13.180 661 HA ARG 91 HA ARG 91 3.887 -5.427 13.996 662 HB2 ARG 91 2HB ARG 91 6.225 -5.800 15.873 663 HB3 ARG 91 1HB ARG 91 4.575 -5.573 16.396 664 HG2 ARG 91 2HG ARG 91 5.384 -7.862 14.640 665 HG3 ARG 91 1HG ARG 91 5.517 -7.934 16.398 666 HD2 ARG 91 2HD ARG 91 3.139 -7.488 16.612 667 HD3 ARG 91 1HD ARG 91 2.990 -7.356 14.860 668 HE ARG 91 HE ARG 91 3.930 -9.799 15.021 669 HH11 ARG 91 1HH1 ARG 91 1.583 -8.284 17.132 670 HH12 ARG 91 2HH1 ARG 91 0.701 -9.751 17.421 671 HH21 ARG 91 1HH2 ARG 91 2.820 -11.739 15.432 672 HH22 ARG 91 2HH2 ARG 91 1.428 -11.736 16.485 673 HA PRO 92 HA PRO 92 4.358 -1.069 14.116 674 HB2 PRO 92 2HB PRO 92 2.776 -0.378 16.256 675 HB3 PRO 92 1HB PRO 92 2.165 -0.778 14.648 676 HG2 PRO 92 2HG PRO 92 2.338 -2.493 17.092 677 HG3 PRO 92 1HG PRO 92 1.039 -2.379 15.888 678 HD2 PRO 92 2HD PRO 92 2.810 -4.407 15.879 679 HD3 PRO 92 1HD PRO 92 2.148 -3.731 14.377 680 H SER 93 HN SER 93 6.051 0.050 14.738 681 HA SER 93 HA SER 93 7.171 -0.317 17.418 682 HB2 SER 93 2HB SER 93 8.669 -0.551 15.440 683 HB3 SER 93 1HB SER 93 8.331 1.125 15.016 684 HG SER 93 HG SER 93 9.893 0.070 17.091 685 H ALA 94 HN ALA 94 8.292 1.992 18.095 686 HA ALA 94 HA ALA 94 6.037 3.450 18.987 687 HB1 ALA 94 1HB ALA 94 7.621 4.879 20.130 688 HB2 ALA 94 2HB ALA 94 8.940 4.233 19.157 689 HB3 ALA 94 3HB ALA 94 8.098 3.189 20.301 690 H THR 95 HN THR 95 8.646 4.370 16.705 691 HA THR 95 HA THR 95 7.395 6.902 16.123 692 HB THR 95 HB THR 95 9.571 5.531 14.528 693 HG1 THR 95 1HG THR 95 11.032 6.360 15.964 694 HG21 THR 95 3HG2 THR 95 8.582 7.495 13.461 695 HG22 THR 95 1HG2 THR 95 10.231 7.840 13.982 696 HG23 THR 95 2HG2 THR 95 8.864 8.445 14.919 697 H ASP 96 HN ASP 96 7.546 3.713 14.742 698 HA ASP 96 HA ASP 96 6.373 4.171 12.248 699 HB2 ASP 96 2HB ASP 96 7.462 2.052 13.060 700 HB3 ASP 96 1HB ASP 96 6.010 1.728 13.996 701 H LEU 97 HN LEU 97 4.951 3.584 15.416 702 HA LEU 97 HA LEU 97 2.235 3.710 14.603 703 HB2 LEU 97 2HB LEU 97 3.006 2.706 16.724 704 HB3 LEU 97 1HB LEU 97 3.517 4.278 17.287 705 HG LEU 97 HG LEU 97 1.336 3.332 18.226 706 HD11 LEU 97 1HD1 LEU 97 1.977 5.637 18.566 707 HD12 LEU 97 2HD1 LEU 97 0.242 5.520 18.266 708 HD13 LEU 97 3HD1 LEU 97 1.325 6.075 16.989 709 HD21 LEU 97 3HD2 LEU 97 0.305 4.213 15.536 710 HD22 LEU 97 1HD2 LEU 97 -0.677 3.710 16.914 711 HD23 LEU 97 2HD2 LEU 97 0.387 2.551 16.117 712 H GLU 98 HN GLU 98 4.524 6.113 15.842 713 HA GLU 98 HA GLU 98 2.664 8.205 16.121 714 HB2 GLU 98 2HB GLU 98 5.664 8.207 15.873 715 HB3 GLU 98 1HB GLU 98 4.731 9.667 16.161 716 HG2 GLU 98 2HG GLU 98 3.793 8.586 18.200 717 HG3 GLU 98 1HG GLU 98 4.905 7.244 17.935 718 H GLU 99 HN GLU 99 4.423 7.060 13.331 719 HA GLU 99 HA GLU 99 3.863 9.433 11.789 720 HB2 GLU 99 2HB GLU 99 4.882 6.712 10.968 721 HB3 GLU 99 1HB GLU 99 4.648 8.046 9.847 722 HG2 GLU 99 2HG GLU 99 6.193 9.362 11.421 723 HG3 GLU 99 1HG GLU 99 6.631 7.781 12.068 724 H ALA 100 HN ALA 100 1.856 7.207 12.975 725 HA ALA 100 HA ALA 100 -0.026 7.602 10.755 726 HB1 ALA 100 1HB ALA 100 0.754 5.292 10.669 727 HB2 ALA 100 2HB ALA 100 -0.950 5.377 11.113 728 HB3 ALA 100 3HB ALA 100 0.265 5.060 12.351 729 H THR 101 HN THR 101 -0.740 9.413 12.022 730 HA THR 101 HA THR 101 -2.281 8.684 14.425 731 HB THR 101 HB THR 101 -0.516 10.412 14.677 732 HG1 THR 101 1HG THR 101 -1.806 11.070 16.221 733 HG21 THR 101 3HG2 THR 101 -0.893 12.662 13.777 734 HG22 THR 101 1HG2 THR 101 -2.284 12.057 12.877 735 HG23 THR 101 2HG2 THR 101 -0.665 11.473 12.496 736 H PHE 102 HN PHE 102 -2.630 8.995 11.292 737 HA PHE 102 HA PHE 102 -5.262 10.280 11.399 738 HB2 PHE 102 2HB PHE 102 -5.023 10.492 8.892 739 HB3 PHE 102 1HB PHE 102 -3.921 11.467 9.850 740 HD1 PHE 102 2HD PHE 102 -1.546 10.467 10.229 741 HD2 PHE 102 1HD PHE 102 -4.214 9.187 7.172 742 HE1 PHE 102 2HE PHE 102 0.354 9.555 8.959 743 HE2 PHE 102 1HE PHE 102 -2.320 8.277 5.894 744 HZ PHE 102 HZ PHE 102 -0.032 8.459 6.787 745 HA PRO 103 HA PRO 103 -6.300 5.836 11.078 746 HB2 PRO 103 2HB PRO 103 -8.783 6.107 12.154 747 HB3 PRO 103 1HB PRO 103 -7.318 5.949 13.130 748 HG2 PRO 103 2HG PRO 103 -8.854 8.410 12.395 749 HG3 PRO 103 1HG PRO 103 -8.130 7.967 13.951 750 HD2 PRO 103 2HD PRO 103 -6.964 9.709 12.244 751 HD3 PRO 103 1HD PRO 103 -6.024 8.641 13.302 752 H GLY 104 HN GLY 104 -7.442 4.760 9.541 753 HA2 GLY 104 2HA GLY 104 -9.784 5.121 8.354 754 HA3 GLY 104 1HA GLY 104 -8.846 6.380 7.563 755 H PHE 105 HN PHE 105 -6.394 5.076 7.337 756 HA PHE 105 HA PHE 105 -7.032 3.312 5.117 757 HB2 PHE 105 2HB PHE 105 -4.348 4.348 6.050 758 HB3 PHE 105 1HB PHE 105 -4.668 3.511 4.536 759 HD1 PHE 105 1HD PHE 105 -6.539 4.654 3.047 760 HD2 PHE 105 2HD PHE 105 -4.228 6.636 6.023 761 HE1 PHE 105 1HE PHE 105 -6.969 6.806 1.940 762 HE2 PHE 105 2HE PHE 105 -4.654 8.795 4.918 763 HZ PHE 105 HZ PHE 105 -6.027 8.878 2.871 764 H THR 106 HN THR 106 -5.881 1.286 4.806 765 HA THR 106 HA THR 106 -5.393 -0.161 7.291 766 HB THR 106 HB THR 106 -5.262 -1.208 4.453 767 HG1 THR 106 1HG THR 106 -7.475 -1.586 6.174 768 HG21 THR 106 3HG2 THR 106 -5.609 -2.607 7.112 769 HG22 THR 106 1HG2 THR 106 -4.168 -2.641 6.094 770 HG23 THR 106 2HG2 THR 106 -5.663 -3.389 5.532 771 H TYR 107 HN TYR 107 -3.376 -0.455 8.066 772 HA TYR 107 HA TYR 107 -1.173 0.484 6.368 773 HB2 TYR 107 2HB TYR 107 -1.391 0.297 9.379 774 HB3 TYR 107 1HB TYR 107 0.056 0.815 8.515 775 HD1 TYR 107 2HD TYR 107 0.068 2.947 7.282 776 HD2 TYR 107 1HD TYR 107 -3.283 1.743 9.606 777 HE1 TYR 107 2HE TYR 107 -0.793 5.248 7.215 778 HE2 TYR 107 1HE TYR 107 -4.163 4.039 9.543 779 HH TYR 107 HH TYR 107 -3.416 6.301 9.174 780 H VAL 108 HN VAL 108 -0.027 -1.018 5.458 781 HA VAL 108 HA VAL 108 0.185 -3.655 6.712 782 HB VAL 108 HB VAL 108 0.909 -2.778 3.906 783 HG11 VAL 108 1HG1 VAL 108 2.331 -4.619 4.644 784 HG12 VAL 108 2HG1 VAL 108 1.170 -5.177 3.438 785 HG13 VAL 108 3HG1 VAL 108 0.909 -5.533 5.144 786 HG21 VAL 108 3HG2 VAL 108 -1.407 -4.402 4.955 787 HG22 VAL 108 1HG2 VAL 108 -1.032 -4.142 3.251 788 HG23 VAL 108 2HG2 VAL 108 -1.486 -2.778 4.270 789 H ILE 109 HN ILE 109 1.952 -4.257 7.713 790 HA ILE 109 HA ILE 109 4.462 -2.805 7.198 791 HB ILE 109 HB ILE 109 3.704 -4.438 9.635 792 HG12 ILE 109 2HG1 ILE 109 3.971 -1.437 9.325 793 HG13 ILE 109 1HG1 ILE 109 2.448 -2.310 9.450 794 HG21 ILE 109 1HG2 ILE 109 5.760 -3.472 10.612 795 HG22 ILE 109 2HG2 ILE 109 6.139 -2.760 9.043 796 HG23 ILE 109 3HG2 ILE 109 6.083 -4.513 9.227 797 HD11 ILE 109 3HD1 ILE 109 3.098 -1.268 11.559 798 HD12 ILE 109 1HD1 ILE 109 4.580 -2.222 11.568 799 HD13 ILE 109 2HD1 ILE 109 3.013 -3.025 11.692 800 H VAL 110 HN VAL 110 6.063 -3.920 6.247 801 HA VAL 110 HA VAL 110 5.639 -6.798 5.858 802 HB VAL 110 HB VAL 110 5.745 -5.499 3.795 803 HG11 VAL 110 1HG1 VAL 110 7.111 -3.637 4.512 804 HG12 VAL 110 2HG1 VAL 110 7.829 -4.397 3.091 805 HG13 VAL 110 3HG1 VAL 110 8.509 -4.698 4.691 806 HG21 VAL 110 3HG2 VAL 110 7.506 -6.762 2.638 807 HG22 VAL 110 1HG2 VAL 110 6.556 -7.777 3.725 808 HG23 VAL 110 2HG2 VAL 110 8.168 -7.244 4.200 809 H SER 111 HN SER 111 7.032 -8.259 6.551 810 HA SER 111 HA SER 111 9.236 -7.356 8.223 811 HB2 SER 111 2HB SER 111 7.584 -9.077 9.018 812 HB3 SER 111 1HB SER 111 8.201 -10.169 7.781 813 HG SER 111 HG SER 111 9.363 -10.685 9.549 814 H VAL 112 HN VAL 112 11.028 -6.929 7.097 815 HA VAL 112 HA VAL 112 12.027 -9.036 5.296 816 HB VAL 112 HB VAL 112 12.605 -6.077 5.005 817 HG11 VAL 112 1HG1 VAL 112 14.414 -7.522 4.235 818 HG12 VAL 112 2HG1 VAL 112 13.619 -6.730 2.873 819 HG13 VAL 112 3HG1 VAL 112 13.276 -8.422 3.230 820 HG21 VAL 112 3HG2 VAL 112 10.818 -7.822 3.314 821 HG22 VAL 112 1HG2 VAL 112 11.212 -6.131 3.005 822 HG23 VAL 112 2HG2 VAL 112 10.270 -6.572 4.431 823 H ARG 113 HN ARG 113 13.858 -9.934 6.003 824 HA ARG 113 HA ARG 113 15.427 -8.391 7.961 825 HB2 ARG 113 2HB ARG 113 14.690 -11.304 7.957 826 HB3 ARG 113 1HB ARG 113 16.079 -10.713 8.858 827 HG2 ARG 113 2HG ARG 113 14.555 -9.129 10.036 828 HG3 ARG 113 1HG ARG 113 13.202 -9.912 9.223 829 HD2 ARG 113 2HD ARG 113 15.171 -11.471 10.862 830 HD3 ARG 113 1HD ARG 113 13.787 -10.670 11.599 831 HE ARG 113 HE ARG 113 12.349 -12.089 10.273 832 HH11 ARG 113 1HH1 ARG 113 15.726 -12.988 10.360 833 HH12 ARG 113 2HH1 ARG 113 15.421 -14.678 10.098 834 HH21 ARG 113 1HH2 ARG 113 11.924 -14.316 9.910 835 HH22 ARG 113 2HH2 ARG 113 13.263 -15.428 9.799 836 H ASP 114 HN ASP 114 16.911 -7.589 6.684 837 HA ASP 114 HA ASP 114 18.672 -7.391 5.277 838 HB2 ASP 114 2HB ASP 114 19.731 -8.444 7.244 839 HB3 ASP 114 1HB ASP 114 19.469 -10.024 6.514 840 H GLY 115 HN GLY 115 17.180 -7.696 3.471 841 HA2 GLY 115 2HA GLY 115 17.154 -8.371 1.254 842 HA3 GLY 115 1HA GLY 115 18.325 -9.616 1.650 843 H ALA 116 HN ALA 116 16.383 -10.453 3.891 844 HA ALA 116 HA ALA 116 14.923 -12.302 2.177 845 HB1 ALA 116 1HB ALA 116 16.357 -13.266 3.882 846 HB2 ALA 116 2HB ALA 116 14.667 -13.670 4.182 847 HB3 ALA 116 3HB ALA 116 15.458 -12.414 5.136 848 HA PRO 117 HA PRO 117 11.149 -10.106 3.302 849 HB2 PRO 117 2HB PRO 117 9.930 -11.537 1.111 850 HB3 PRO 117 1HB PRO 117 10.274 -9.811 1.232 851 HG2 PRO 117 2HG PRO 117 11.544 -11.498 -0.509 852 HG3 PRO 117 1HG PRO 117 12.263 -10.003 0.118 853 HD2 PRO 117 2HD PRO 117 12.697 -12.834 0.999 854 HD3 PRO 117 1HD PRO 117 13.879 -11.519 0.805 855 H GLU 118 HN GLU 118 10.241 -11.003 5.040 856 HA GLU 118 HA GLU 118 9.951 -13.887 5.185 857 HB2 GLU 118 2HB GLU 118 10.952 -12.776 7.082 858 HB3 GLU 118 1HB GLU 118 9.565 -11.711 7.239 859 HG2 GLU 118 2HG GLU 118 8.158 -13.604 7.822 860 HG3 GLU 118 1HG GLU 118 9.532 -14.691 7.638 861 H ALA 119 HN ALA 119 7.766 -11.358 6.421 862 HA ALA 119 HA ALA 119 5.524 -12.698 5.131 863 HB1 ALA 119 1HB ALA 119 4.315 -13.032 7.197 864 HB2 ALA 119 2HB ALA 119 5.659 -12.359 8.122 865 HB3 ALA 119 3HB ALA 119 5.859 -13.882 7.257 866 H LEU 120 HN LEU 120 3.531 -11.547 5.317 867 HA LEU 120 HA LEU 120 3.928 -8.654 5.582 868 HB2 LEU 120 2HB LEU 120 1.840 -10.283 4.132 869 HB3 LEU 120 1HB LEU 120 1.731 -8.549 4.327 870 HG LEU 120 HG LEU 120 3.896 -8.359 3.052 871 HD11 LEU 120 1HD1 LEU 120 4.570 -10.249 1.666 872 HD12 LEU 120 2HD1 LEU 120 3.357 -11.265 2.447 873 HD13 LEU 120 3HD1 LEU 120 4.715 -10.635 3.380 874 HD21 LEU 120 3HD2 LEU 120 1.551 -9.641 1.655 875 HD22 LEU 120 1HD2 LEU 120 2.829 -8.704 0.879 876 HD23 LEU 120 2HD2 LEU 120 1.735 -7.925 2.024 877 H THR 121 HN THR 121 2.893 -7.553 7.159 878 HA THR 121 HA THR 121 0.619 -8.895 8.467 879 HB THR 121 HB THR 121 1.149 -7.608 10.524 880 HG1 THR 121 1HG THR 121 3.088 -6.562 8.850 881 HG21 THR 121 3HG2 THR 121 3.036 -8.969 11.253 882 HG22 THR 121 1HG2 THR 121 3.430 -9.347 9.575 883 HG23 THR 121 2HG2 THR 121 1.924 -9.933 10.281 884 H ALA 122 HN ALA 122 -1.249 -7.815 8.350 885 HA ALA 122 HA ALA 122 -1.109 -4.991 7.534 886 HB1 ALA 122 1HB ALA 122 -3.391 -6.936 7.160 887 HB2 ALA 122 2HB ALA 122 -2.245 -6.457 5.908 888 HB3 ALA 122 3HB ALA 122 -3.346 -5.265 6.602 889 H TRP 123 HN TRP 123 -2.086 -3.486 8.695 890 HA TRP 123 HA TRP 123 -3.473 -4.353 11.134 891 HB2 TRP 123 2HB TRP 123 -1.485 -2.080 10.957 892 HB3 TRP 123 1HB TRP 123 -2.301 -2.654 12.401 893 HD1 TRP 123 1HD TRP 123 0.520 -3.613 9.978 894 HE1 TRP 123 1HE TRP 123 2.079 -5.286 11.176 895 HE3 TRP 123 3HE TRP 123 -2.288 -4.464 14.155 896 HZ2 TRP 123 2HZ TRP 123 2.115 -6.761 13.608 897 HZ3 TRP 123 3HZ TRP 123 -1.462 -6.035 15.843 898 HH2 TRP 123 2HH TRP 123 0.693 -7.165 15.576 899 H ALA 124 HN ALA 124 -5.198 -3.137 11.723 900 HA ALA 124 HA ALA 124 -5.895 -0.880 9.977 901 HB1 ALA 124 1HB ALA 124 -7.650 -2.488 11.838 902 HB2 ALA 124 2HB ALA 124 -7.570 -2.664 10.084 903 HB3 ALA 124 3HB ALA 124 -8.185 -1.170 10.796 904 H LEU 125 HN LEU 125 -5.809 1.127 10.782 905 HA LEU 125 HA LEU 125 -4.949 1.479 13.509 906 HB2 LEU 125 2HB LEU 125 -4.018 2.850 11.676 907 HB3 LEU 125 1HB LEU 125 -5.606 3.536 11.393 908 HG LEU 125 HG LEU 125 -5.575 4.602 13.588 909 HD11 LEU 125 1HD1 LEU 125 -3.561 4.552 14.975 910 HD12 LEU 125 2HD1 LEU 125 -2.830 3.383 13.874 911 HD13 LEU 125 3HD1 LEU 125 -4.264 2.943 14.802 912 HD21 LEU 125 3HD2 LEU 125 -3.038 5.109 12.044 913 HD22 LEU 125 1HD2 LEU 125 -3.807 6.217 13.181 914 HD23 LEU 125 2HD2 LEU 125 -4.620 5.792 11.675 915 H ALA 126 HN ALA 126 -6.256 1.649 15.141 916 HA ALA 126 HA ALA 126 -9.049 1.597 14.935 917 HB1 ALA 126 1HB ALA 126 -7.843 0.724 16.870 918 HB2 ALA 126 2HB ALA 126 -9.036 1.926 17.368 919 HB3 ALA 126 3HB ALA 126 -7.327 2.354 17.297 920 HA PRO 127 HA PRO 127 -10.289 5.836 14.391 921 HB2 PRO 127 2HB PRO 127 -12.254 5.297 16.563 922 HB3 PRO 127 1HB PRO 127 -12.521 5.928 14.933 923 HG2 PRO 127 2HG PRO 127 -13.170 3.419 15.538 924 HG3 PRO 127 1HG PRO 127 -12.460 3.821 13.965 925 HD2 PRO 127 2HD PRO 127 -11.192 2.541 16.347 926 HD3 PRO 127 1HD PRO 127 -10.938 2.215 14.621 927 H ASP 128 HN ASP 128 -9.654 4.509 17.538 928 HA ASP 128 HA ASP 128 -9.489 6.976 18.960 929 HB2 ASP 128 2HB ASP 128 -8.244 4.304 19.653 930 HB3 ASP 128 1HB ASP 128 -8.561 5.634 20.763 931 H ARG 129 HN ARG 129 -7.517 5.529 16.681 932 HA ARG 129 HA ARG 129 -5.344 5.590 16.055 933 HB2 ARG 129 2HB ARG 129 -4.414 7.824 15.796 934 HB3 ARG 129 1HB ARG 129 -6.110 7.786 15.350 935 HG2 ARG 129 2HG ARG 129 -6.716 8.874 17.423 936 HG3 ARG 129 1HG ARG 129 -5.038 8.828 17.967 937 HD2 ARG 129 2HD ARG 129 -4.372 10.274 16.146 938 HD3 ARG 129 1HD ARG 129 -6.008 10.254 15.496 939 HE ARG 129 HE ARG 129 -6.327 11.225 18.018 940 HH11 ARG 129 1HH1 ARG 129 -4.215 12.075 15.358 941 HH12 ARG 129 2HH1 ARG 129 -4.260 13.785 15.683 942 HH21 ARG 129 1HH2 ARG 129 -6.379 13.457 18.486 943 HH22 ARG 129 2HH2 ARG 129 -5.517 14.576 17.474 944 H SER 130 HN SER 130 -5.687 4.767 18.816 945 HA SER 130 HA SER 130 -3.243 5.796 20.051 946 HB2 SER 130 2HB SER 130 -5.478 5.651 21.303 947 HB3 SER 130 1HB SER 130 -5.219 3.908 21.326 948 HG SER 130 HG SER 130 -3.432 4.170 22.582 949 H GLU 131 HN GLU 131 -4.465 3.099 18.338 950 HA GLU 131 HA GLU 131 -1.978 1.674 18.608 951 HB2 GLU 131 2HB GLU 131 -2.861 -0.353 19.537 952 HB3 GLU 131 1HB GLU 131 -3.297 0.960 20.624 953 HG2 GLU 131 2HG GLU 131 -5.539 1.003 19.728 954 HG3 GLU 131 1HG GLU 131 -5.119 -0.227 18.542 955 H PHE 132 HN PHE 132 -2.092 -0.418 17.381 956 HA PHE 132 HA PHE 132 -3.886 -0.196 15.055 957 HB2 PHE 132 2HB PHE 132 -1.196 -1.535 15.398 958 HB3 PHE 132 1HB PHE 132 -2.247 -1.879 14.032 959 HD1 PHE 132 2HD PHE 132 -3.025 0.205 12.667 960 HD2 PHE 132 1HD PHE 132 0.378 0.124 15.218 961 HE1 PHE 132 2HE PHE 132 -2.061 2.100 11.436 962 HE2 PHE 132 1HE PHE 132 1.349 2.019 13.987 963 HZ PHE 132 HZ PHE 132 0.130 3.007 12.092 964 H HIS 133 HN HIS 133 -4.924 -2.105 14.312 965 HA HIS 133 HA HIS 133 -4.838 -4.375 16.191 966 HB2 HIS 133 2HB HIS 133 -7.237 -3.250 14.732 967 HB3 HIS 133 1HB HIS 133 -7.221 -4.854 15.445 968 HD1 HIS 133 1HD HIS 133 -7.750 -5.042 17.885 969 HD2 HIS 133 2HD HIS 133 -7.048 -1.111 16.691 970 HE1 HIS 133 1HE HIS 133 -8.345 -3.610 19.864 971 HE2 HIS 133 2HE HIS 133 -7.808 -1.253 19.167 972 H ARG 134 HN ARG 134 -4.692 -6.351 15.307 973 HA ARG 134 HA ARG 134 -3.433 -6.507 12.783 974 HB2 ARG 134 2HB ARG 134 -2.965 -8.043 14.636 975 HB3 ARG 134 1HB ARG 134 -4.582 -8.715 14.489 976 HG2 ARG 134 2HG ARG 134 -3.555 -10.259 13.242 977 HG3 ARG 134 1HG ARG 134 -3.673 -9.045 11.972 978 HD2 ARG 134 2HD ARG 134 -1.434 -8.301 12.395 979 HD3 ARG 134 1HD ARG 134 -1.308 -9.345 13.811 980 HE ARG 134 HE ARG 134 -1.050 -10.121 11.037 981 HH11 ARG 134 1HH1 ARG 134 -1.641 -11.206 14.320 982 HH12 ARG 134 2HH1 ARG 134 -1.124 -12.840 14.005 983 HH21 ARG 134 1HH2 ARG 134 -0.353 -12.237 10.621 984 HH22 ARG 134 2HH2 ARG 134 -0.385 -13.432 11.892 985 H GLU 135 HN GLU 135 -4.185 -6.868 10.838 986 HA GLU 135 HA GLU 135 -7.063 -7.338 10.491 987 HB2 GLU 135 2HB GLU 135 -5.298 -5.510 9.330 988 HB3 GLU 135 1HB GLU 135 -5.568 -6.708 8.076 989 HG2 GLU 135 2HG GLU 135 -7.941 -5.662 9.507 990 HG3 GLU 135 1HG GLU 135 -7.121 -4.587 8.378 991 H ASP 136 HN ASP 136 -7.540 -8.653 8.406 992 HA ASP 136 HA ASP 136 -5.800 -11.042 8.551 993 HB2 ASP 136 2HB ASP 136 -7.972 -11.320 9.742 994 HB3 ASP 136 1HB ASP 136 -8.805 -11.034 8.218 995 H ILE 137 HN ILE 137 -5.259 -12.051 6.719 996 HA ILE 137 HA ILE 137 -5.873 -10.682 4.217 997 HB ILE 137 HB ILE 137 -4.001 -13.013 4.678 998 HG12 ILE 137 2HG1 ILE 137 -3.309 -11.087 6.024 999 HG13 ILE 137 1HG1 ILE 137 -2.189 -11.364 4.700 1000 HG21 ILE 137 1HG2 ILE 137 -4.246 -11.059 2.398 1001 HG22 ILE 137 2HG2 ILE 137 -4.670 -12.772 2.367 1002 HG23 ILE 137 3HG2 ILE 137 -2.986 -12.283 2.560 1003 HD11 ILE 137 3HD1 ILE 137 -3.230 -9.541 3.443 1004 HD12 ILE 137 1HD1 ILE 137 -2.591 -9.006 4.998 1005 HD13 ILE 137 2HD1 ILE 137 -4.324 -9.254 4.796 1006 H VAL 138 HN VAL 138 -7.568 -11.322 3.079 1007 HA VAL 138 HA VAL 138 -8.262 -14.188 3.040 1008 HB VAL 138 HB VAL 138 -10.422 -12.205 2.603 1009 HG11 VAL 138 1HG1 VAL 138 -11.788 -13.938 3.660 1010 HG12 VAL 138 2HG1 VAL 138 -10.333 -14.894 3.949 1011 HG13 VAL 138 3HG1 VAL 138 -10.858 -14.561 2.297 1012 HG21 VAL 138 3HG2 VAL 138 -9.439 -12.910 5.369 1013 HG22 VAL 138 1HG2 VAL 138 -10.947 -12.072 5.006 1014 HG23 VAL 138 2HG2 VAL 138 -9.403 -11.310 4.625 1015 H ARG 139 HN ARG 139 -9.358 -14.865 1.079 1016 HA ARG 139 HA ARG 139 -8.204 -13.546 -1.239 1017 HB2 ARG 139 2HB ARG 139 -9.635 -16.181 -0.881 1018 HB3 ARG 139 1HB ARG 139 -9.047 -15.589 -2.425 1019 HG2 ARG 139 2HG ARG 139 -6.770 -15.619 -1.609 1020 HG3 ARG 139 1HG ARG 139 -7.330 -16.119 -0.011 1021 HD2 ARG 139 2HD ARG 139 -6.487 -18.029 -1.253 1022 HD3 ARG 139 1HD ARG 139 -8.221 -18.186 -0.978 1023 HE ARG 139 HE ARG 139 -7.866 -16.972 -3.470 1024 HH11 ARG 139 1HH1 ARG 139 -7.198 -20.047 -1.914 1025 HH12 ARG 139 2HH1 ARG 139 -7.337 -20.966 -3.387 1026 HH21 ARG 139 1HH2 ARG 139 -8.069 -18.187 -5.405 1027 HH22 ARG 139 2HH2 ARG 139 -7.808 -19.902 -5.369 1028 HA PRO 140 HA PRO 140 -12.073 -11.740 -2.483 1029 HB2 PRO 140 2HB PRO 140 -11.082 -11.664 -5.213 1030 HB3 PRO 140 1HB PRO 140 -11.328 -10.327 -4.090 1031 HG2 PRO 140 2HG PRO 140 -8.867 -11.175 -4.902 1032 HG3 PRO 140 1HG PRO 140 -9.165 -10.388 -3.343 1033 HD2 PRO 140 2HD PRO 140 -8.801 -13.290 -3.965 1034 HD3 PRO 140 1HD PRO 140 -8.218 -12.350 -2.575 1035 H ASP 141 HN ASP 141 -13.612 -13.328 -2.399 1036 HA ASP 141 HA ASP 141 -13.650 -15.556 -4.194 1037 HB2 ASP 141 2HB ASP 141 -14.634 -15.631 -1.911 1038 HB3 ASP 141 1HB ASP 141 -15.877 -14.499 -2.436 1039 HA PRO 142 HA PRO 142 -15.350 -13.406 -7.610 1040 HB2 PRO 142 2HB PRO 142 -16.063 -15.487 -9.173 1041 HB3 PRO 142 1HB PRO 142 -14.374 -15.068 -8.864 1042 HG2 PRO 142 2HG PRO 142 -16.071 -17.162 -7.552 1043 HG3 PRO 142 1HG PRO 142 -14.404 -17.290 -8.146 1044 HD2 PRO 142 2HD PRO 142 -14.994 -16.907 -5.535 1045 HD3 PRO 142 1HD PRO 142 -13.531 -16.249 -6.287 1046 H GLU 143 HN GLU 143 -17.226 -14.079 -5.362 1047 HA GLU 143 HA GLU 143 -19.660 -13.747 -6.985 1048 HB2 GLU 143 2HB GLU 143 -19.363 -14.902 -4.217 1049 HB3 GLU 143 1HB GLU 143 -20.911 -14.364 -4.858 1050 HG2 GLU 143 2HG GLU 143 -20.420 -15.939 -6.819 1051 HG3 GLU 143 1HG GLU 143 -19.194 -16.641 -5.763 1052 H ALA 144 HN ALA 144 -17.405 -12.243 -5.094 1053 HA ALA 144 HA ALA 144 -19.194 -10.120 -4.200 1054 HB1 ALA 144 1HB ALA 144 -16.182 -10.359 -3.994 1055 HB2 ALA 144 2HB ALA 144 -17.331 -10.794 -2.729 1056 HB3 ALA 144 3HB ALA 144 -17.177 -9.113 -3.239 1057 HA PRO 145 HA PRO 145 -19.184 -7.980 -8.046 1058 HB2 PRO 145 2HB PRO 145 -18.868 -5.428 -6.804 1059 HB3 PRO 145 1HB PRO 145 -20.345 -6.164 -7.424 1060 HG2 PRO 145 2HG PRO 145 -19.328 -6.027 -4.656 1061 HG3 PRO 145 1HG PRO 145 -20.990 -6.217 -5.237 1062 HD2 PRO 145 2HD PRO 145 -19.623 -8.240 -4.095 1063 HD3 PRO 145 1HD PRO 145 -20.805 -8.514 -5.392 1064 H LEU 146 HN LEU 146 -17.617 -7.648 -9.431 1065 HA LEU 146 HA LEU 146 -14.943 -7.166 -8.381 1066 HB2 LEU 146 2HB LEU 146 -14.281 -7.847 -10.793 1067 HB3 LEU 146 1HB LEU 146 -14.738 -9.073 -9.641 1068 HG LEU 146 HG LEU 146 -15.569 -9.351 -12.016 1069 HD11 LEU 146 1HD1 LEU 146 -17.590 -9.359 -9.783 1070 HD12 LEU 146 2HD1 LEU 146 -16.494 -10.664 -10.232 1071 HD13 LEU 146 3HD1 LEU 146 -17.780 -10.176 -11.334 1072 HD21 LEU 146 3HD2 LEU 146 -17.613 -8.155 -12.641 1073 HD22 LEU 146 1HD2 LEU 146 -16.227 -7.074 -12.491 1074 HD23 LEU 146 2HD2 LEU 146 -17.442 -7.133 -11.214 1075 H GLU 147 HN GLU 147 -13.534 -6.105 -10.292 1076 HA GLU 147 HA GLU 147 -14.336 -3.403 -10.330 1077 HB2 GLU 147 2HB GLU 147 -11.982 -4.057 -10.285 1078 HB3 GLU 147 1HB GLU 147 -12.152 -4.840 -11.851 1079 HG2 GLU 147 2HG GLU 147 -12.589 -2.699 -12.897 1080 HG3 GLU 147 1HG GLU 147 -12.490 -1.901 -11.329 1081 H HIS 148 HN HIS 148 -15.249 -2.184 -11.908 1082 HA HIS 148 HA HIS 148 -16.575 -3.544 -14.081 1083 HB2 HIS 148 2HB HIS 148 -17.618 -1.643 -12.843 1084 HB3 HIS 148 1HB HIS 148 -16.380 -0.576 -13.492 1085 HD1 HIS 148 1HD HIS 148 -16.984 0.602 -15.568 1086 HD2 HIS 148 2HD HIS 148 -19.268 -2.823 -15.006 1087 HE1 HIS 148 1HE HIS 148 -18.673 0.605 -17.431 1088 HE2 HIS 148 2HE HIS 148 -20.208 -1.320 -16.897 1089 H HIS 149 HN HIS 149 -14.562 -4.360 -14.972 1090 HA HIS 149 HA HIS 149 -13.224 -2.434 -16.740 1091 HB2 HIS 149 2HB HIS 149 -11.897 -2.860 -14.626 1092 HB3 HIS 149 1HB HIS 149 -11.780 -4.544 -15.115 1093 HD1 HIS 149 1HD HIS 149 -9.923 -1.520 -15.201 1094 HD2 HIS 149 2HD HIS 149 -10.453 -4.693 -17.841 1095 HE1 HIS 149 1HE HIS 149 -7.975 -1.421 -16.779 1096 HE2 HIS 149 2HE HIS 149 -8.180 -3.497 -18.189 1097 H HIS 150 HN HIS 150 -13.160 -3.165 -18.769 1098 HA HIS 150 HA HIS 150 -13.051 -6.061 -19.222 1099 HB2 HIS 150 2HB HIS 150 -15.080 -4.158 -20.326 1100 HB3 HIS 150 1HB HIS 150 -14.548 -5.512 -21.316 1101 HD1 HIS 150 1HD HIS 150 -17.283 -4.747 -19.383 1102 HD2 HIS 150 2HD HIS 150 -14.651 -7.974 -19.330 1103 HE1 HIS 150 1HE HIS 150 -18.533 -6.634 -18.279 1104 HE2 HIS 150 2HE HIS 150 -16.920 -8.574 -18.231 1105 H HIS 151 HN HIS 151 -10.998 -6.132 -19.901 1106 HA HIS 151 HA HIS 151 -10.467 -4.835 -22.476 1107 HB2 HIS 151 2HB HIS 151 -9.448 -3.509 -20.548 1108 HB3 HIS 151 1HB HIS 151 -8.398 -4.894 -20.278 1109 HD1 HIS 151 1HD HIS 151 -6.156 -4.213 -21.104 1110 HD2 HIS 151 2HD HIS 151 -9.197 -3.014 -23.673 1111 HE1 HIS 151 1HE HIS 151 -5.004 -3.149 -23.066 1112 HE2 HIS 151 2HE HIS 151 -6.869 -2.254 -24.504 1113 H HIS 152 HN HIS 152 -10.320 -6.553 -23.747 1114 HA HIS 152 HA HIS 152 -9.222 -9.054 -22.737 1115 HB2 HIS 152 2HB HIS 152 -9.978 -10.016 -24.885 1116 HB3 HIS 152 1HB HIS 152 -11.274 -9.194 -24.028 1117 HD1 HIS 152 1HD HIS 152 -8.870 -8.539 -26.908 1118 HD2 HIS 152 2HD HIS 152 -12.630 -7.392 -25.543 1119 HE1 HIS 152 1HE HIS 152 -9.847 -7.108 -28.729 1120 HE2 HIS 152 2HE HIS 152 -12.052 -6.298 -27.818 1121 H HIS 153 HN HIS 153 -7.455 -6.785 -23.153 1122 HA HIS 153 HA HIS 153 -5.596 -8.043 -25.043 1123 HB2 HIS 153 2HB HIS 153 -6.650 -5.986 -26.033 1124 HB3 HIS 153 1HB HIS 153 -5.949 -5.053 -24.718 1125 HD1 HIS 153 1HD HIS 153 -3.225 -5.114 -24.636 1126 HD2 HIS 153 2HD HIS 153 -5.035 -6.281 -28.192 1127 HE1 HIS 153 1HE HIS 153 -1.432 -4.957 -26.393 1128 HE2 HIS 153 2HE HIS 153 -2.603 -5.494 -28.562 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -10.293 -6.559 4.693 2 H2 MET 1 H2 MET 1 -9.065 -6.035 5.753 3 H3 MET 1 H3 MET 1 -9.187 -7.669 5.331 4 HA MET 1 HA MET 1 -8.706 -5.568 3.326 5 HB2 MET 1 2HB MET 1 -6.873 -5.487 4.943 6 HB3 MET 1 1HB MET 1 -6.666 -7.229 4.826 7 HG2 MET 1 2HG MET 1 -6.075 -6.971 2.451 8 HG3 MET 1 1HG MET 1 -6.204 -5.224 2.629 9 HE1 MET 1 2HE MET 1 -3.663 -6.688 1.467 10 HE2 MET 1 3HE MET 1 -2.338 -5.860 2.283 11 HE3 MET 1 1HE MET 1 -3.710 -4.937 1.669 12 H LYS 2 HN LYS 2 -9.437 -6.461 1.503 13 HA LYS 2 HA LYS 2 -8.887 -9.318 1.056 14 HB2 LYS 2 2HB LYS 2 -11.025 -7.498 0.040 15 HB3 LYS 2 1HB LYS 2 -10.536 -8.872 -0.938 16 HG2 LYS 2 2HG LYS 2 -12.388 -9.590 0.300 17 HG3 LYS 2 1HG LYS 2 -10.987 -10.313 1.079 18 HD2 LYS 2 2HD LYS 2 -11.064 -8.760 2.867 19 HD3 LYS 2 1HD LYS 2 -12.230 -7.739 2.024 20 HE2 LYS 2 2HE LYS 2 -13.892 -9.542 2.175 21 HE3 LYS 2 1HE LYS 2 -12.727 -10.533 3.051 22 HZ1 LYS 2 3HZ LYS 2 -14.509 -9.080 4.289 23 HZ2 LYS 2 1HZ LYS 2 -13.339 -7.867 4.112 24 HZ3 LYS 2 2HZ LYS 2 -12.959 -9.299 4.942 25 H THR 3 HN THR 3 -7.355 -9.846 -0.282 26 HA THR 3 HA THR 3 -6.940 -8.452 -2.751 27 HB THR 3 HB THR 3 -5.599 -7.053 -1.170 28 HG1 THR 3 1HG THR 3 -4.844 -6.994 -3.235 29 HG21 THR 3 3HG2 THR 3 -3.510 -7.964 -0.264 30 HG22 THR 3 1HG2 THR 3 -3.950 -9.565 -0.861 31 HG23 THR 3 2HG2 THR 3 -4.919 -8.795 0.396 32 H THR 4 HN THR 4 -4.893 -9.535 -3.868 33 HA THR 4 HA THR 4 -5.272 -12.422 -3.474 34 HB THR 4 HB THR 4 -4.380 -12.632 -5.792 35 HG1 THR 4 1HG THR 4 -4.313 -10.623 -7.019 36 HG21 THR 4 3HG2 THR 4 -6.371 -11.743 -6.929 37 HG22 THR 4 1HG2 THR 4 -6.766 -10.803 -5.490 38 HG23 THR 4 2HG2 THR 4 -6.791 -12.564 -5.427 39 HA PRO 5 HA PRO 5 -1.060 -13.093 -2.182 40 HB2 PRO 5 2HB PRO 5 -0.536 -15.354 -3.710 41 HB3 PRO 5 1HB PRO 5 -1.314 -15.350 -2.128 42 HG2 PRO 5 2HG PRO 5 -2.537 -15.505 -4.839 43 HG3 PRO 5 1HG PRO 5 -3.012 -16.332 -3.347 44 HD2 PRO 5 2HD PRO 5 -4.370 -14.215 -4.275 45 HD3 PRO 5 1HD PRO 5 -4.141 -14.480 -2.532 46 H ASP 6 HN ASP 6 -1.946 -13.092 -5.546 47 HA ASP 6 HA ASP 6 0.524 -12.796 -6.781 48 HB2 ASP 6 2HB ASP 6 -1.366 -13.166 -8.148 49 HB3 ASP 6 1HB ASP 6 -2.224 -11.800 -7.458 50 H ILE 7 HN ILE 7 -1.626 -10.325 -5.416 51 HA ILE 7 HA ILE 7 0.183 -8.162 -5.955 52 HB ILE 7 HB ILE 7 -2.155 -8.270 -4.033 53 HG12 ILE 7 2HG1 ILE 7 -2.869 -8.756 -6.317 54 HG13 ILE 7 1HG1 ILE 7 -3.424 -7.158 -5.830 55 HG21 ILE 7 1HG2 ILE 7 -2.146 -5.817 -4.240 56 HG22 ILE 7 2HG2 ILE 7 -0.671 -5.921 -5.201 57 HG23 ILE 7 3HG2 ILE 7 -0.662 -6.437 -3.515 58 HD11 ILE 7 3HD1 ILE 7 -1.628 -6.131 -7.111 59 HD12 ILE 7 1HD1 ILE 7 -2.613 -7.179 -8.131 60 HD13 ILE 7 2HD1 ILE 7 -1.032 -7.724 -7.573 61 H LEU 8 HN LEU 8 -0.563 -10.229 -3.209 62 HA LEU 8 HA LEU 8 0.811 -8.891 -1.196 63 HB2 LEU 8 2HB LEU 8 0.313 -11.833 -1.593 64 HB3 LEU 8 1HB LEU 8 1.010 -11.162 -0.130 65 HG LEU 8 HG LEU 8 -1.733 -10.489 -1.206 66 HD11 LEU 8 1HD1 LEU 8 -0.899 -12.221 1.120 67 HD12 LEU 8 2HD1 LEU 8 -1.609 -12.786 -0.394 68 HD13 LEU 8 3HD1 LEU 8 -2.554 -11.776 0.701 69 HD21 LEU 8 3HD2 LEU 8 -0.731 -8.651 0.027 70 HD22 LEU 8 1HD2 LEU 8 -0.347 -9.735 1.363 71 HD23 LEU 8 2HD2 LEU 8 -2.030 -9.390 0.966 72 H ASP 9 HN ASP 9 2.037 -11.415 -3.405 73 HA ASP 9 HA ASP 9 4.609 -11.528 -2.231 74 HB2 ASP 9 2HB ASP 9 3.568 -13.224 -3.826 75 HB3 ASP 9 1HB ASP 9 4.040 -12.136 -5.128 76 H GLN 10 HN GLN 10 3.261 -9.639 -4.871 77 HA GLN 10 HA GLN 10 5.575 -8.336 -5.722 78 HB2 GLN 10 2HB GLN 10 2.697 -7.439 -5.680 79 HB3 GLN 10 1HB GLN 10 3.976 -6.507 -6.445 80 HG2 GLN 10 2HG GLN 10 4.452 -8.394 -7.924 81 HG3 GLN 10 1HG GLN 10 3.152 -9.307 -7.165 82 HE21 GLN 10 1HE2 GLN 10 1.043 -8.817 -7.624 83 HE22 GLN 10 2HE2 GLN 10 0.581 -7.761 -8.915 84 H ILE 11 HN ILE 11 3.525 -7.745 -2.935 85 HA ILE 11 HA ILE 11 4.611 -5.240 -2.195 86 HB ILE 11 HB ILE 11 3.488 -7.377 -0.369 87 HG12 ILE 11 2HG1 ILE 11 2.110 -5.015 -1.673 88 HG13 ILE 11 1HG1 ILE 11 1.904 -6.698 -2.141 89 HG21 ILE 11 1HG2 ILE 11 4.808 -5.678 0.806 90 HG22 ILE 11 2HG2 ILE 11 3.094 -5.562 1.206 91 HG23 ILE 11 3HG2 ILE 11 3.819 -4.410 0.081 92 HD11 ILE 11 3HD1 ILE 11 1.156 -5.513 0.520 93 HD12 ILE 11 1HD1 ILE 11 0.940 -7.196 0.038 94 HD13 ILE 11 2HD1 ILE 11 0.047 -5.918 -0.789 95 H ARG 12 HN ARG 12 5.508 -8.575 -1.426 96 HA ARG 12 HA ARG 12 7.610 -7.979 0.359 97 HB2 ARG 12 2HB ARG 12 7.408 -10.369 -1.481 98 HB3 ARG 12 1HB ARG 12 8.385 -10.248 -0.027 99 HG2 ARG 12 2HG ARG 12 6.210 -9.908 1.230 100 HG3 ARG 12 1HG ARG 12 5.400 -10.425 -0.251 101 HD2 ARG 12 2HD ARG 12 7.352 -11.984 1.429 102 HD3 ARG 12 1HD ARG 12 5.648 -12.338 1.155 103 HE ARG 12 HE ARG 12 6.387 -12.654 -1.272 104 HH11 ARG 12 1HH1 ARG 12 8.439 -13.360 1.499 105 HH12 ARG 12 2HH1 ARG 12 9.367 -14.564 0.652 106 HH21 ARG 12 1HH2 ARG 12 7.607 -14.214 -2.367 107 HH22 ARG 12 2HH2 ARG 12 8.905 -15.034 -1.543 108 H VAL 13 HN VAL 13 7.507 -8.409 -3.139 109 HA VAL 13 HA VAL 13 10.231 -8.350 -3.703 110 HB VAL 13 HB VAL 13 7.987 -7.206 -5.383 111 HG11 VAL 13 1HG1 VAL 13 9.496 -7.556 -7.286 112 HG12 VAL 13 2HG1 VAL 13 10.780 -8.031 -6.175 113 HG13 VAL 13 3HG1 VAL 13 10.146 -6.386 -6.138 114 HG21 VAL 13 3HG2 VAL 13 8.036 -9.366 -6.537 115 HG22 VAL 13 1HG2 VAL 13 7.622 -9.545 -4.833 116 HG23 VAL 13 2HG2 VAL 13 9.246 -9.945 -5.392 117 H HIS 14 HN HIS 14 7.954 -5.647 -3.353 118 HA HIS 14 HA HIS 14 9.704 -3.589 -4.084 119 HB2 HIS 14 2HB HIS 14 7.260 -3.657 -2.335 120 HB3 HIS 14 1HB HIS 14 8.190 -2.173 -2.521 121 HD1 HIS 14 1HD HIS 14 5.852 -4.443 -4.346 122 HD2 HIS 14 2HD HIS 14 8.015 -0.966 -5.058 123 HE1 HIS 14 1HE HIS 14 4.917 -3.487 -6.473 124 HE2 HIS 14 2HE HIS 14 6.411 -1.533 -7.009 125 H GLY 15 HN GLY 15 9.206 -5.184 -0.984 126 HA2 GLY 15 2HA GLY 15 10.731 -3.377 0.577 127 HA3 GLY 15 1HA GLY 15 10.326 -5.030 1.016 128 H ALA 16 HN ALA 16 11.578 -6.488 -0.931 129 HA ALA 16 HA ALA 16 14.277 -6.425 0.012 130 HB1 ALA 16 1HB ALA 16 13.040 -8.083 -2.183 131 HB2 ALA 16 2HB ALA 16 13.133 -8.525 -0.478 132 HB3 ALA 16 3HB ALA 16 14.609 -8.366 -1.432 133 H ASP 17 HN ASP 17 12.632 -5.269 -2.817 134 HA ASP 17 HA ASP 17 14.934 -4.969 -4.479 135 HB2 ASP 17 2HB ASP 17 12.570 -5.135 -5.286 136 HB3 ASP 17 1HB ASP 17 12.292 -3.526 -4.652 137 H ALA 18 HN ALA 18 13.175 -2.914 -2.274 138 HA ALA 18 HA ALA 18 14.599 -0.538 -3.081 139 HB1 ALA 18 1HB ALA 18 12.229 -0.466 -2.467 140 HB2 ALA 18 2HB ALA 18 13.210 0.624 -1.488 141 HB3 ALA 18 3HB ALA 18 12.656 -0.911 -0.816 142 H TYR 19 HN TYR 19 14.857 -2.894 -0.518 143 HA TYR 19 HA TYR 19 15.998 -1.498 1.544 144 HB2 TYR 19 2HB TYR 19 15.473 -3.978 1.474 145 HB3 TYR 19 1HB TYR 19 17.018 -4.205 0.659 146 HD1 TYR 19 1HD TYR 19 15.402 -3.239 3.815 147 HD2 TYR 19 2HD TYR 19 19.101 -4.063 1.880 148 HE1 TYR 19 1HE TYR 19 16.528 -3.298 5.998 149 HE2 TYR 19 2HE TYR 19 20.233 -4.126 4.060 150 HH TYR 19 HH TYR 19 19.809 -3.095 6.379 151 HA PRO 20 HA PRO 20 17.372 -1.222 2.954 152 HB2 PRO 20 2HB PRO 20 19.101 0.687 3.894 153 HB3 PRO 20 1HB PRO 20 19.428 -1.046 3.889 154 HG2 PRO 20 2HG PRO 20 20.682 1.032 2.326 155 HG3 PRO 20 1HG PRO 20 21.103 -0.684 2.420 156 HD2 PRO 20 2HD PRO 20 19.562 0.749 0.376 157 HD3 PRO 20 1HD PRO 20 20.330 -0.848 0.294 158 H GLU 21 HN GLU 21 17.273 1.081 0.506 159 HA GLU 21 HA GLU 21 16.571 3.383 2.049 160 HB2 GLU 21 2HB GLU 21 16.122 4.475 -0.019 161 HB3 GLU 21 1HB GLU 21 17.525 3.448 -0.281 162 HG2 GLU 21 2HG GLU 21 16.022 1.751 -1.282 163 HG3 GLU 21 1HG GLU 21 14.696 2.902 -1.130 164 H GLU 22 HN GLU 22 14.455 4.499 1.818 165 HA GLU 22 HA GLU 22 12.354 2.716 2.572 166 HB2 GLU 22 2HB GLU 22 12.277 5.697 2.067 167 HB3 GLU 22 1HB GLU 22 10.979 4.759 2.790 168 HG2 GLU 22 2HG GLU 22 11.985 5.665 4.638 169 HG3 GLU 22 1HG GLU 22 12.776 4.095 4.538 170 H GLY 23 HN GLY 23 11.693 1.438 0.928 171 HA2 GLY 23 2HA GLY 23 10.763 2.744 -1.542 172 HA3 GLY 23 1HA GLY 23 11.121 1.031 -1.369 173 H CYS 24 HN CYS 24 9.350 2.773 1.035 174 HA CYS 24 HA CYS 24 7.144 0.960 0.873 175 HB2 CYS 24 2HB CYS 24 6.202 2.509 2.660 176 HB3 CYS 24 1HB CYS 24 7.730 1.719 3.040 177 HG CYS 24 HG CYS 24 7.839 4.825 1.683 178 H GLY 25 HN GLY 25 4.832 1.988 0.975 179 HA2 GLY 25 2HA GLY 25 4.384 4.359 -0.530 180 HA3 GLY 25 1HA GLY 25 4.220 2.941 -1.554 181 H PHE 26 HN PHE 26 2.035 3.506 -1.859 182 HA PHE 26 HA PHE 26 0.305 3.107 0.488 183 HB2 PHE 26 2HB PHE 26 -0.232 4.756 -1.994 184 HB3 PHE 26 1HB PHE 26 -1.350 4.535 -0.653 185 HD1 PHE 26 2HD PHE 26 -0.889 5.560 1.527 186 HD2 PHE 26 1HD PHE 26 1.598 6.284 -1.852 187 HE1 PHE 26 2HE PHE 26 0.085 7.511 2.665 188 HE2 PHE 26 1HE PHE 26 2.573 8.238 -0.720 189 HZ PHE 26 HZ PHE 26 1.817 8.853 1.542 190 H LEU 27 HN LEU 27 -1.718 2.072 0.101 191 HA LEU 27 HA LEU 27 -1.529 -0.010 -1.941 192 HB2 LEU 27 2HB LEU 27 -3.464 0.327 0.356 193 HB3 LEU 27 1HB LEU 27 -3.377 -1.065 -0.703 194 HG LEU 27 HG LEU 27 -1.158 -0.192 1.146 195 HD11 LEU 27 1HD1 LEU 27 -3.101 -0.894 2.419 196 HD12 LEU 27 2HD1 LEU 27 -1.827 -2.110 2.520 197 HD13 LEU 27 3HD1 LEU 27 -3.216 -2.370 1.464 198 HD21 LEU 27 3HD2 LEU 27 -0.371 -1.438 -0.785 199 HD22 LEU 27 1HD2 LEU 27 -1.562 -2.701 -0.478 200 HD23 LEU 27 2HD2 LEU 27 -0.257 -2.422 0.674 201 H LEU 28 HN LEU 28 -2.583 0.239 -3.805 202 HA LEU 28 HA LEU 28 -4.805 2.163 -3.883 203 HB2 LEU 28 2HB LEU 28 -3.150 1.062 -6.159 204 HB3 LEU 28 1HB LEU 28 -4.434 2.246 -6.308 205 HG LEU 28 HG LEU 28 -1.785 2.639 -4.915 206 HD11 LEU 28 1HD1 LEU 28 -1.637 2.675 -7.339 207 HD12 LEU 28 2HD1 LEU 28 -1.410 4.295 -6.677 208 HD13 LEU 28 3HD1 LEU 28 -2.949 3.850 -7.416 209 HD21 LEU 28 3HD2 LEU 28 -3.562 3.812 -3.730 210 HD22 LEU 28 1HD2 LEU 28 -4.096 4.546 -5.240 211 HD23 LEU 28 2HD2 LEU 28 -2.513 4.948 -4.577 212 H GLY 29 HN GLY 29 -6.805 1.527 -4.443 213 HA2 GLY 29 2HA GLY 29 -7.387 -0.770 -5.981 214 HA3 GLY 29 1HA GLY 29 -7.545 -1.154 -4.271 215 H THR 30 HN THR 30 -9.747 -1.466 -4.420 216 HA THR 30 HA THR 30 -11.290 1.019 -4.561 217 HB THR 30 HB THR 30 -13.168 -0.370 -5.598 218 HG1 THR 30 1HG THR 30 -12.750 -2.363 -6.159 219 HG21 THR 30 3HG2 THR 30 -10.712 0.154 -7.277 220 HG22 THR 30 1HG2 THR 30 -11.943 1.343 -6.853 221 HG23 THR 30 2HG2 THR 30 -12.359 -0.029 -7.879 222 H VAL 31 HN VAL 31 -13.187 1.024 -3.277 223 HA VAL 31 HA VAL 31 -13.147 -0.905 -1.085 224 HB VAL 31 HB VAL 31 -14.940 1.502 -1.450 225 HG11 VAL 31 1HG1 VAL 31 -14.350 -0.182 0.978 226 HG12 VAL 31 2HG1 VAL 31 -15.858 -0.163 0.065 227 HG13 VAL 31 3HG1 VAL 31 -15.349 1.271 0.955 228 HG21 VAL 31 3HG2 VAL 31 -12.393 1.242 0.141 229 HG22 VAL 31 1HG2 VAL 31 -13.467 2.640 0.138 230 HG23 VAL 31 2HG2 VAL 31 -12.607 2.187 -1.332 231 H THR 32 HN THR 32 -14.369 -2.656 -1.168 232 HA THR 32 HA THR 32 -16.230 -2.978 -3.340 233 HB THR 32 HB THR 32 -16.530 -5.279 -2.470 234 HG1 THR 32 1HG THR 32 -15.775 -5.845 -0.561 235 HG21 THR 32 3HG2 THR 32 -13.650 -4.404 -2.723 236 HG22 THR 32 1HG2 THR 32 -14.734 -4.802 -4.057 237 HG23 THR 32 2HG2 THR 32 -14.246 -6.053 -2.913 238 H ASP 33 HN ASP 33 -18.357 -4.166 -2.786 239 HA ASP 33 HA ASP 33 -20.004 -2.389 -1.336 240 HB2 ASP 33 2HB ASP 33 -20.708 -3.852 -3.260 241 HB3 ASP 33 1HB ASP 33 -20.681 -5.219 -2.154 242 H ASP 34 HN ASP 34 -18.093 -5.033 -0.382 243 HA ASP 34 HA ASP 34 -19.437 -5.853 1.969 244 HB2 ASP 34 2HB ASP 34 -16.442 -5.845 1.519 245 HB3 ASP 34 1HB ASP 34 -17.343 -6.867 2.632 246 H GLY 35 HN GLY 35 -17.405 -3.147 1.195 247 HA2 GLY 35 2HA GLY 35 -17.127 -1.214 2.518 248 HA3 GLY 35 1HA GLY 35 -17.672 -2.125 3.922 249 H ASP 36 HN ASP 36 -15.454 -3.788 2.010 250 HA ASP 36 HA ASP 36 -13.345 -3.350 3.999 251 HB2 ASP 36 2HB ASP 36 -14.251 -5.693 3.473 252 HB3 ASP 36 1HB ASP 36 -13.450 -5.544 1.918 253 H ASN 37 HN ASN 37 -11.070 -3.599 2.982 254 HA ASN 37 HA ASN 37 -10.959 -1.679 0.762 255 HB2 ASN 37 2HB ASN 37 -8.903 -2.364 2.883 256 HB3 ASN 37 1HB ASN 37 -8.635 -1.225 1.568 257 HD21 ASN 37 1HD2 ASN 37 -8.241 0.429 3.072 258 HD22 ASN 37 2HD2 ASN 37 -9.530 1.183 3.945 259 H ARG 38 HN ARG 38 -10.695 -2.668 -1.130 260 HA ARG 38 HA ARG 38 -9.211 -5.188 -1.235 261 HB2 ARG 38 2HB ARG 38 -11.473 -5.053 -2.281 262 HB3 ARG 38 1HB ARG 38 -10.845 -3.850 -3.399 263 HG2 ARG 38 2HG ARG 38 -9.185 -5.543 -4.172 264 HG3 ARG 38 1HG ARG 38 -10.021 -6.734 -3.175 265 HD2 ARG 38 2HD ARG 38 -10.835 -6.932 -5.415 266 HD3 ARG 38 1HD ARG 38 -12.110 -6.216 -4.430 267 HE ARG 38 HE ARG 38 -11.228 -4.019 -5.380 268 HH11 ARG 38 1HH1 ARG 38 -11.211 -7.064 -7.114 269 HH12 ARG 38 2HH1 ARG 38 -11.285 -6.325 -8.685 270 HH21 ARG 38 1HH2 ARG 38 -11.304 -3.032 -7.437 271 HH22 ARG 38 2HH2 ARG 38 -11.299 -4.023 -8.872 272 H VAL 39 HN VAL 39 -7.112 -4.977 -1.559 273 HA VAL 39 HA VAL 39 -6.022 -2.695 -2.990 274 HB VAL 39 HB VAL 39 -4.561 -5.068 -1.821 275 HG11 VAL 39 1HG1 VAL 39 -3.267 -3.855 -3.502 276 HG12 VAL 39 2HG1 VAL 39 -2.595 -3.610 -1.890 277 HG13 VAL 39 3HG1 VAL 39 -3.560 -2.341 -2.645 278 HG21 VAL 39 3HG2 VAL 39 -5.114 -2.366 -0.602 279 HG22 VAL 39 1HG2 VAL 39 -4.074 -3.611 0.091 280 HG23 VAL 39 2HG2 VAL 39 -5.806 -3.904 -0.085 281 H ALA 40 HN ALA 40 -5.579 -2.688 -5.091 282 HA ALA 40 HA ALA 40 -5.329 -5.285 -6.469 283 HB1 ALA 40 1HB ALA 40 -6.575 -2.767 -7.559 284 HB2 ALA 40 2HB ALA 40 -7.460 -4.182 -6.984 285 HB3 ALA 40 3HB ALA 40 -6.421 -4.308 -8.405 286 H ALA 41 HN ALA 41 -3.995 -2.155 -5.917 287 HA ALA 41 HA ALA 41 -1.803 -2.787 -7.762 288 HB1 ALA 41 1HB ALA 41 -3.188 -0.112 -7.653 289 HB2 ALA 41 2HB ALA 41 -3.301 -1.280 -8.969 290 HB3 ALA 41 3HB ALA 41 -1.759 -0.501 -8.612 291 H LEU 42 HN LEU 42 0.179 -1.697 -7.295 292 HA LEU 42 HA LEU 42 0.330 -0.719 -4.513 293 HB2 LEU 42 2HB LEU 42 2.389 -2.294 -6.063 294 HB3 LEU 42 1HB LEU 42 2.596 -1.681 -4.435 295 HG LEU 42 HG LEU 42 0.540 -3.736 -5.247 296 HD11 LEU 42 1HD1 LEU 42 2.775 -4.632 -5.464 297 HD12 LEU 42 2HD1 LEU 42 1.987 -5.317 -4.043 298 HD13 LEU 42 3HD1 LEU 42 3.194 -4.045 -3.855 299 HD21 LEU 42 3HD2 LEU 42 0.252 -4.046 -2.841 300 HD22 LEU 42 1HD2 LEU 42 -0.126 -2.391 -3.317 301 HD23 LEU 42 2HD2 LEU 42 1.410 -2.754 -2.530 302 H HIS 43 HN HIS 43 1.134 1.276 -4.265 303 HA HIS 43 HA HIS 43 2.713 2.400 -6.487 304 HB2 HIS 43 2HB HIS 43 0.491 3.406 -6.469 305 HB3 HIS 43 1HB HIS 43 0.648 3.785 -4.761 306 HD1 HIS 43 1HD HIS 43 1.832 4.882 -8.157 307 HD2 HIS 43 2HD HIS 43 2.072 6.100 -4.181 308 HE1 HIS 43 1HE HIS 43 2.769 7.220 -8.210 309 HE2 HIS 43 2HE HIS 43 3.096 7.843 -5.792 310 H ARG 44 HN ARG 44 4.722 2.879 -5.886 311 HA ARG 44 HA ARG 44 5.515 2.961 -3.142 312 HB2 ARG 44 2HB ARG 44 7.073 2.143 -4.811 313 HB3 ARG 44 1HB ARG 44 7.009 3.676 -5.672 314 HG2 ARG 44 2HG ARG 44 8.037 4.792 -3.751 315 HG3 ARG 44 1HG ARG 44 8.116 3.246 -2.905 316 HD2 ARG 44 2HD ARG 44 9.645 2.367 -4.517 317 HD3 ARG 44 1HD ARG 44 9.434 3.772 -5.562 318 HE ARG 44 HE ARG 44 10.344 4.946 -3.367 319 HH11 ARG 44 1HH1 ARG 44 11.464 2.039 -4.961 320 HH12 ARG 44 2HH1 ARG 44 13.119 2.250 -4.485 321 HH21 ARG 44 1HH2 ARG 44 12.510 5.236 -2.727 322 HH22 ARG 44 2HH2 ARG 44 13.723 4.086 -3.210 323 H ALA 45 HN ALA 45 5.963 4.689 -1.852 324 HA ALA 45 HA ALA 45 4.840 7.237 -2.563 325 HB1 ALA 45 1HB ALA 45 4.684 6.370 -0.276 326 HB2 ALA 45 2HB ALA 45 5.507 7.930 -0.323 327 HB3 ALA 45 3HB ALA 45 6.441 6.448 -0.130 328 H THR 46 HN THR 46 6.431 7.105 -4.481 329 HA THR 46 HA THR 46 8.463 9.094 -3.997 330 HB THR 46 HB THR 46 9.261 6.470 -5.291 331 HG1 THR 46 1HG THR 46 9.280 7.290 -2.646 332 HG21 THR 46 3HG2 THR 46 10.497 8.398 -6.126 333 HG22 THR 46 1HG2 THR 46 11.540 7.381 -5.133 334 HG23 THR 46 2HG2 THR 46 10.886 8.881 -4.475 335 H ASN 47 HN ASN 47 8.811 10.312 -5.827 336 HA ASN 47 HA ASN 47 6.906 10.222 -7.897 337 HB2 ASN 47 2HB ASN 47 8.198 11.993 -8.960 338 HB3 ASN 47 1HB ASN 47 8.068 12.291 -7.232 339 HD21 ASN 47 1HD2 ASN 47 9.881 12.156 -5.946 340 HD22 ASN 47 2HD2 ASN 47 11.484 12.112 -6.607 341 H ARG 48 HN ARG 48 7.066 9.661 -10.060 342 HA ARG 48 HA ARG 48 9.046 7.561 -10.571 343 HB2 ARG 48 2HB ARG 48 6.402 7.343 -10.737 344 HB3 ARG 48 1HB ARG 48 6.673 8.027 -12.331 345 HG2 ARG 48 2HG ARG 48 7.995 5.521 -11.304 346 HG3 ARG 48 1HG ARG 48 6.542 5.553 -12.298 347 HD2 ARG 48 2HD ARG 48 7.837 6.737 -14.053 348 HD3 ARG 48 1HD ARG 48 9.282 6.548 -13.060 349 HE ARG 48 HE ARG 48 7.960 4.055 -13.553 350 HH11 ARG 48 1HH1 ARG 48 10.226 6.372 -14.913 351 HH12 ARG 48 2HH1 ARG 48 10.958 5.203 -15.971 352 HH21 ARG 48 1HH2 ARG 48 8.941 2.545 -14.936 353 HH22 ARG 48 2HH2 ARG 48 10.228 3.051 -15.993 354 H ARG 49 HN ARG 49 10.790 8.423 -11.526 355 HA ARG 49 HA ARG 49 10.705 10.694 -13.233 356 HB2 ARG 49 2HB ARG 49 12.864 8.614 -12.846 357 HB3 ARG 49 1HB ARG 49 13.065 10.114 -13.743 358 HG2 ARG 49 2HG ARG 49 12.617 11.395 -11.728 359 HG3 ARG 49 1HG ARG 49 12.389 9.897 -10.820 360 HD2 ARG 49 2HD ARG 49 14.700 9.255 -11.322 361 HD3 ARG 49 1HD ARG 49 14.924 10.770 -12.199 362 HE ARG 49 HE ARG 49 14.367 11.847 -9.968 363 HH11 ARG 49 1HH1 ARG 49 15.906 8.723 -10.256 364 HH12 ARG 49 2HH1 ARG 49 16.715 8.827 -8.717 365 HH21 ARG 49 1HH2 ARG 49 15.431 12.013 -7.952 366 HH22 ARG 49 2HH2 ARG 49 16.475 10.725 -7.418 367 H SER 50 HN SER 50 9.573 10.563 -15.060 368 HA SER 50 HA SER 50 10.498 8.866 -17.173 369 HB2 SER 50 2HB SER 50 9.006 7.301 -15.974 370 HB3 SER 50 1HB SER 50 7.689 8.464 -16.097 371 HG SER 50 HG SER 50 7.762 8.229 -18.354 372 H GLU 51 HN GLU 51 9.511 9.420 -19.210 373 HA GLU 51 HA GLU 51 8.222 12.019 -19.289 374 HB2 GLU 51 2HB GLU 51 8.838 10.099 -21.554 375 HB3 GLU 51 1HB GLU 51 8.375 11.788 -21.714 376 HG2 GLU 51 2HG GLU 51 10.434 12.494 -20.661 377 HG3 GLU 51 1HG GLU 51 10.894 10.815 -20.384 378 H GLN 52 HN GLN 52 6.019 12.299 -19.791 379 HA GLN 52 HA GLN 52 4.384 10.200 -18.858 380 HB2 GLN 52 2HB GLN 52 2.478 11.636 -19.362 381 HB3 GLN 52 1HB GLN 52 3.744 12.521 -18.528 382 HG2 GLN 52 2HG GLN 52 4.398 13.629 -20.528 383 HG3 GLN 52 1HG GLN 52 3.356 12.595 -21.507 384 HE21 GLN 52 1HE2 GLN 52 3.476 15.267 -19.295 385 HE22 GLN 52 2HE2 GLN 52 1.855 15.807 -19.543 386 H ARG 53 HN ARG 53 3.267 8.661 -19.830 387 HA ARG 53 HA ARG 53 3.785 8.141 -22.619 388 HB2 ARG 53 2HB ARG 53 3.767 6.433 -20.707 389 HB3 ARG 53 1HB ARG 53 2.015 6.539 -20.774 390 HG2 ARG 53 2HG ARG 53 2.835 4.611 -22.004 391 HG3 ARG 53 1HG ARG 53 2.045 5.760 -23.084 392 HD2 ARG 53 2HD ARG 53 4.000 6.344 -24.118 393 HD3 ARG 53 1HD ARG 53 4.982 5.998 -22.695 394 HE ARG 53 HE ARG 53 4.452 3.566 -23.254 395 HH11 ARG 53 1HH1 ARG 53 4.613 6.052 -25.722 396 HH12 ARG 53 2HH1 ARG 53 5.271 4.982 -26.922 397 HH21 ARG 53 1HH2 ARG 53 5.338 2.174 -24.832 398 HH22 ARG 53 2HH2 ARG 53 5.689 2.784 -26.419 399 H THR 54 HN THR 54 2.535 10.308 -22.893 400 HA THR 54 HA THR 54 0.811 11.423 -23.813 401 HB THR 54 HB THR 54 -0.243 8.651 -24.313 402 HG1 THR 54 1HG THR 54 1.130 8.650 -25.911 403 HG21 THR 54 3HG2 THR 54 -2.042 10.313 -24.445 404 HG22 THR 54 1HG2 THR 54 -1.646 9.682 -26.043 405 HG23 THR 54 2HG2 THR 54 -1.072 11.277 -25.557 406 H ARG 55 HN ARG 55 -0.161 12.573 -22.294 407 HA ARG 55 HA ARG 55 -1.757 13.309 -20.883 408 HB2 ARG 55 2HB ARG 55 -3.264 10.826 -21.723 409 HB3 ARG 55 1HB ARG 55 -3.943 12.165 -20.806 410 HG2 ARG 55 2HG ARG 55 -2.827 12.332 -23.596 411 HG3 ARG 55 1HG ARG 55 -4.536 12.299 -23.164 412 HD2 ARG 55 2HD ARG 55 -4.441 14.419 -22.165 413 HD3 ARG 55 1HD ARG 55 -2.680 14.391 -22.075 414 HE ARG 55 HE ARG 55 -3.990 14.433 -24.703 415 HH11 ARG 55 1HH1 ARG 55 -2.111 16.070 -22.242 416 HH12 ARG 55 2HH1 ARG 55 -1.446 17.245 -23.341 417 HH21 ARG 55 1HH2 ARG 55 -3.136 15.978 -26.161 418 HH22 ARG 55 2HH2 ARG 55 -2.024 17.187 -25.579 419 H ARG 56 HN ARG 56 -0.240 12.986 -19.219 420 HA ARG 56 HA ARG 56 -1.350 11.346 -17.111 421 HB2 ARG 56 2HB ARG 56 0.228 9.762 -17.962 422 HB3 ARG 56 1HB ARG 56 1.473 10.993 -18.130 423 HG2 ARG 56 2HG ARG 56 1.713 11.167 -15.756 424 HG3 ARG 56 1HG ARG 56 0.327 10.109 -15.492 425 HD2 ARG 56 2HD ARG 56 1.493 8.222 -16.309 426 HD3 ARG 56 1HD ARG 56 2.785 9.220 -16.980 427 HE ARG 56 HE ARG 56 3.756 9.362 -14.896 428 HH11 ARG 56 1HH1 ARG 56 0.574 7.917 -14.612 429 HH12 ARG 56 2HH1 ARG 56 0.776 7.489 -12.951 430 HH21 ARG 56 1HH2 ARG 56 4.027 8.837 -12.714 431 HH22 ARG 56 2HH2 ARG 56 2.764 7.991 -11.866 432 H TYR 57 HN TYR 57 -1.035 12.246 -15.106 433 HA TYR 57 HA TYR 57 -0.340 15.012 -15.096 434 HB2 TYR 57 2HB TYR 57 -0.868 13.137 -12.781 435 HB3 TYR 57 1HB TYR 57 -0.757 14.890 -12.660 436 HD1 TYR 57 2HD TYR 57 -2.426 16.217 -14.213 437 HD2 TYR 57 1HD TYR 57 -2.936 12.163 -13.040 438 HE1 TYR 57 2HE TYR 57 -4.834 16.391 -14.677 439 HE2 TYR 57 1HE TYR 57 -5.345 12.325 -13.501 440 HH TYR 57 HH TYR 57 -6.718 14.934 -15.203 441 H GLU 58 HN GLU 58 1.150 12.145 -13.630 442 HA GLU 58 HA GLU 58 3.190 11.751 -12.709 443 HB2 GLU 58 2HB GLU 58 3.671 12.189 -15.209 444 HB3 GLU 58 1HB GLU 58 4.314 13.736 -14.677 445 HG2 GLU 58 2HG GLU 58 6.112 12.158 -14.917 446 HG3 GLU 58 1HG GLU 58 5.898 12.542 -13.208 447 H LEU 59 HN LEU 59 1.892 13.368 -11.115 448 HA LEU 59 HA LEU 59 3.108 15.901 -10.658 449 HB2 LEU 59 2HB LEU 59 0.750 14.888 -9.959 450 HB3 LEU 59 1HB LEU 59 1.627 14.457 -8.506 451 HG LEU 59 HG LEU 59 1.394 17.275 -9.573 452 HD11 LEU 59 1HD1 LEU 59 -0.783 16.404 -8.901 453 HD12 LEU 59 2HD1 LEU 59 -0.211 17.633 -7.773 454 HD13 LEU 59 3HD1 LEU 59 -0.117 15.925 -7.339 455 HD21 LEU 59 3HD2 LEU 59 3.379 16.898 -8.195 456 HD22 LEU 59 1HD2 LEU 59 2.369 16.219 -6.917 457 HD23 LEU 59 2HD2 LEU 59 2.208 17.919 -7.360 458 H THR 60 HN THR 60 5.236 15.867 -10.216 459 HA THR 60 HA THR 60 6.360 13.801 -8.541 460 HB THR 60 HB THR 60 8.524 15.128 -9.036 461 HG1 THR 60 1HG THR 60 8.184 16.945 -10.068 462 HG21 THR 60 3HG2 THR 60 8.699 14.120 -11.275 463 HG22 THR 60 1HG2 THR 60 6.957 13.846 -11.283 464 HG23 THR 60 2HG2 THR 60 7.977 13.008 -10.113 465 H ALA 61 HN ALA 61 4.983 14.662 -6.706 466 HA ALA 61 HA ALA 61 6.574 16.650 -5.218 467 HB1 ALA 61 1HB ALA 61 4.314 17.458 -5.715 468 HB2 ALA 61 2HB ALA 61 4.578 17.260 -3.983 469 HB3 ALA 61 3HB ALA 61 3.637 16.063 -4.875 470 H ASP 62 HN ASP 62 5.343 13.477 -5.350 471 HA ASP 62 HA ASP 62 5.740 11.616 -4.119 472 HB2 ASP 62 2HB ASP 62 7.626 13.404 -2.567 473 HB3 ASP 62 1HB ASP 62 7.514 11.659 -2.383 474 H ASP 63 HN ASP 63 3.833 13.899 -3.275 475 HA ASP 63 HA ASP 63 3.428 13.129 -0.475 476 HB2 ASP 63 2HB ASP 63 2.160 15.121 -0.218 477 HB3 ASP 63 1HB ASP 63 3.559 15.575 -1.186 478 H TYR 64 HN TYR 64 0.753 13.608 -0.165 479 HA TYR 64 HA TYR 64 -0.451 11.241 -1.027 480 HB2 TYR 64 2HB TYR 64 -1.390 12.376 0.869 481 HB3 TYR 64 1HB TYR 64 -1.699 13.828 -0.080 482 HD1 TYR 64 2HD TYR 64 -2.719 10.274 0.319 483 HD2 TYR 64 1HD TYR 64 -3.724 14.098 -1.256 484 HE1 TYR 64 2HE TYR 64 -4.965 9.446 -0.254 485 HE2 TYR 64 1HE TYR 64 -5.962 13.276 -1.838 486 HH TYR 64 HH TYR 64 -6.999 11.017 -2.372 487 H ARG 65 HN ARG 65 -0.482 14.472 -2.453 488 HA ARG 65 HA ARG 65 -2.545 14.139 -4.281 489 HB2 ARG 65 2HB ARG 65 -0.058 15.824 -4.348 490 HB3 ARG 65 1HB ARG 65 -1.260 15.879 -5.626 491 HG2 ARG 65 2HG ARG 65 -2.948 16.616 -4.076 492 HG3 ARG 65 1HG ARG 65 -1.823 16.438 -2.726 493 HD2 ARG 65 2HD ARG 65 -1.443 18.307 -5.062 494 HD3 ARG 65 1HD ARG 65 -2.067 18.780 -3.482 495 HE ARG 65 HE ARG 65 0.306 17.593 -2.891 496 HH11 ARG 65 1HH1 ARG 65 -0.575 20.078 -5.201 497 HH12 ARG 65 2HH1 ARG 65 0.895 20.984 -4.994 498 HH21 ARG 65 1HH2 ARG 65 2.245 18.786 -2.599 499 HH22 ARG 65 2HH2 ARG 65 2.486 20.256 -3.498 500 H ALA 66 HN ALA 66 0.856 13.247 -4.541 501 HA ALA 66 HA ALA 66 0.755 12.527 -7.282 502 HB1 ALA 66 1HB ALA 66 2.851 13.031 -6.095 503 HB2 ALA 66 2HB ALA 66 2.905 11.462 -6.899 504 HB3 ALA 66 3HB ALA 66 2.659 11.553 -5.155 505 H ALA 67 HN ALA 67 0.291 10.705 -4.294 506 HA ALA 67 HA ALA 67 -0.038 8.180 -5.570 507 HB1 ALA 67 1HB ALA 67 -1.034 9.119 -2.880 508 HB2 ALA 67 2HB ALA 67 0.531 8.370 -3.199 509 HB3 ALA 67 3HB ALA 67 -0.952 7.442 -3.425 510 H ASP 68 HN ASP 68 -2.184 10.767 -4.583 511 HA ASP 68 HA ASP 68 -4.646 9.476 -5.085 512 HB2 ASP 68 2HB ASP 68 -4.391 11.498 -3.686 513 HB3 ASP 68 1HB ASP 68 -3.981 12.429 -5.118 514 H ALA 69 HN ALA 69 -2.602 11.610 -7.049 515 HA ALA 69 HA ALA 69 -4.339 11.871 -9.242 516 HB1 ALA 69 1HB ALA 69 -2.383 12.597 -10.499 517 HB2 ALA 69 2HB ALA 69 -1.320 11.950 -9.250 518 HB3 ALA 69 3HB ALA 69 -2.382 13.310 -8.887 519 H ALA 70 HN ALA 70 -1.592 9.647 -8.790 520 HA ALA 70 HA ALA 70 -1.922 8.284 -11.239 521 HB1 ALA 70 1HB ALA 70 0.155 8.206 -9.945 522 HB2 ALA 70 2HB ALA 70 -0.453 6.585 -10.287 523 HB3 ALA 70 3HB ALA 70 -0.663 7.286 -8.682 524 H ALA 71 HN ALA 71 -3.302 7.760 -8.041 525 HA ALA 71 HA ALA 71 -4.502 5.263 -8.543 526 HB1 ALA 71 1HB ALA 71 -4.320 6.146 -6.292 527 HB2 ALA 71 2HB ALA 71 -6.014 5.836 -6.678 528 HB3 ALA 71 3HB ALA 71 -5.390 7.485 -6.702 529 H GLN 72 HN GLN 72 -5.741 8.579 -8.883 530 HA GLN 72 HA GLN 72 -8.270 7.798 -9.895 531 HB2 GLN 72 2HB GLN 72 -6.765 10.404 -9.998 532 HB3 GLN 72 1HB GLN 72 -8.390 10.213 -10.645 533 HG2 GLN 72 2HG GLN 72 -7.573 9.734 -7.784 534 HG3 GLN 72 1HG GLN 72 -8.397 11.168 -8.395 535 HE21 GLN 72 1HE2 GLN 72 -8.714 7.778 -7.643 536 HE22 GLN 72 2HE2 GLN 72 -10.437 7.730 -7.704 537 H GLU 73 HN GLU 73 -5.186 8.524 -11.442 538 HA GLU 73 HA GLU 73 -6.041 8.575 -14.101 539 HB2 GLU 73 2HB GLU 73 -3.445 7.689 -12.850 540 HB3 GLU 73 1HB GLU 73 -3.681 7.788 -14.581 541 HG2 GLU 73 2HG GLU 73 -4.254 10.197 -14.287 542 HG3 GLU 73 1HG GLU 73 -3.774 10.036 -12.599 543 H GLN 74 HN GLN 74 -5.216 5.922 -11.982 544 HA GLN 74 HA GLN 74 -5.586 3.922 -14.017 545 HB2 GLN 74 2HB GLN 74 -5.080 3.806 -11.052 546 HB3 GLN 74 1HB GLN 74 -5.292 2.367 -12.033 547 HG2 GLN 74 2HG GLN 74 -3.340 2.838 -13.303 548 HG3 GLN 74 1HG GLN 74 -3.196 4.446 -12.596 549 HE21 GLN 74 1HE2 GLN 74 -3.785 3.593 -9.908 550 HE22 GLN 74 2HE2 GLN 74 -2.402 2.733 -9.349 551 H GLY 75 HN GLY 75 -7.501 5.360 -11.477 552 HA2 GLY 75 2HA GLY 75 -9.905 5.304 -11.602 553 HA3 GLY 75 1HA GLY 75 -9.789 3.712 -12.342 554 H LEU 76 HN LEU 76 -7.835 4.554 -9.611 555 HA LEU 76 HA LEU 76 -9.517 2.891 -7.850 556 HB2 LEU 76 2HB LEU 76 -6.494 2.963 -7.938 557 HB3 LEU 76 1HB LEU 76 -7.476 1.977 -6.879 558 HG LEU 76 HG LEU 76 -7.359 1.690 -9.883 559 HD11 LEU 76 1HD1 LEU 76 -5.258 1.051 -8.838 560 HD12 LEU 76 2HD1 LEU 76 -6.124 -0.369 -9.426 561 HD13 LEU 76 3HD1 LEU 76 -6.121 0.013 -7.704 562 HD21 LEU 76 3HD2 LEU 76 -9.504 1.009 -8.924 563 HD22 LEU 76 1HD2 LEU 76 -8.663 -0.046 -7.788 564 HD23 LEU 76 2HD2 LEU 76 -8.591 -0.376 -9.519 565 H ASP 77 HN ASP 77 -8.685 3.256 -5.456 566 HA ASP 77 HA ASP 77 -7.670 5.987 -5.123 567 HB2 ASP 77 2HB ASP 77 -9.212 6.495 -3.361 568 HB3 ASP 77 1HB ASP 77 -10.144 5.981 -4.757 569 H VAL 78 HN VAL 78 -7.156 6.267 -2.627 570 HA VAL 78 HA VAL 78 -5.161 4.224 -2.131 571 HB VAL 78 HB VAL 78 -5.671 6.718 -0.504 572 HG11 VAL 78 1HG1 VAL 78 -4.291 5.086 0.625 573 HG12 VAL 78 2HG1 VAL 78 -3.297 6.453 0.116 574 HG13 VAL 78 3HG1 VAL 78 -3.251 4.941 -0.792 575 HG21 VAL 78 3HG2 VAL 78 -5.307 7.344 -2.838 576 HG22 VAL 78 1HG2 VAL 78 -3.833 6.375 -2.879 577 HG23 VAL 78 2HG2 VAL 78 -3.926 7.798 -1.840 578 H VAL 79 HN VAL 79 -5.899 2.442 -1.151 579 HA VAL 79 HA VAL 79 -7.966 2.722 0.912 580 HB VAL 79 HB VAL 79 -8.308 0.288 0.653 581 HG11 VAL 79 1HG1 VAL 79 -9.649 1.850 -0.644 582 HG12 VAL 79 2HG1 VAL 79 -9.340 0.377 -1.563 583 HG13 VAL 79 3HG1 VAL 79 -8.435 1.848 -1.924 584 HG21 VAL 79 3HG2 VAL 79 -6.270 0.527 -1.559 585 HG22 VAL 79 1HG2 VAL 79 -7.259 -0.892 -1.219 586 HG23 VAL 79 2HG2 VAL 79 -6.062 -0.350 -0.043 587 H GLY 80 HN GLY 80 -4.728 2.720 0.905 588 HA2 GLY 80 2HA GLY 80 -4.451 2.289 3.621 589 HA3 GLY 80 1HA GLY 80 -4.142 0.735 2.867 590 H VAL 81 HN VAL 81 -2.075 1.229 4.056 591 HA VAL 81 HA VAL 81 -0.176 2.429 2.163 592 HB VAL 81 HB VAL 81 0.220 2.820 5.108 593 HG11 VAL 81 1HG1 VAL 81 1.615 4.701 4.381 594 HG12 VAL 81 2HG1 VAL 81 1.253 4.295 2.704 595 HG13 VAL 81 3HG1 VAL 81 2.143 3.157 3.714 596 HG21 VAL 81 3HG2 VAL 81 -0.713 5.076 4.983 597 HG22 VAL 81 1HG2 VAL 81 -1.941 3.855 4.652 598 HG23 VAL 81 2HG2 VAL 81 -1.229 4.773 3.324 599 H TYR 82 HN TYR 82 1.916 1.480 2.299 600 HA TYR 82 HA TYR 82 2.210 -0.748 4.168 601 HB2 TYR 82 2HB TYR 82 2.965 -2.301 2.494 602 HB3 TYR 82 1HB TYR 82 1.393 -1.695 2.003 603 HD1 TYR 82 2HD TYR 82 1.204 -0.174 0.065 604 HD2 TYR 82 1HD TYR 82 4.937 -1.872 1.192 605 HE1 TYR 82 2HE TYR 82 2.128 0.406 -2.137 606 HE2 TYR 82 1HE TYR 82 5.868 -1.297 -1.009 607 HH TYR 82 HH TYR 82 4.323 0.818 -3.162 608 H HIS 83 HN HIS 83 4.250 -1.020 4.938 609 HA HIS 83 HA HIS 83 6.431 0.423 3.685 610 HB2 HIS 83 2HB HIS 83 7.018 1.611 5.810 611 HB3 HIS 83 1HB HIS 83 5.561 2.197 5.022 612 HD1 HIS 83 1HD HIS 83 3.315 1.810 6.251 613 HD2 HIS 83 2HD HIS 83 6.651 0.470 8.326 614 HE1 HIS 83 1HE HIS 83 2.531 1.418 8.606 615 HE2 HIS 83 2HE HIS 83 4.642 0.900 9.890 616 H SER 84 HN SER 84 8.370 -0.431 4.056 617 HA SER 84 HA SER 84 8.434 -2.881 5.670 618 HB2 SER 84 2HB SER 84 10.431 -2.107 3.550 619 HB3 SER 84 1HB SER 84 10.027 -3.718 4.143 620 HG SER 84 HG SER 84 8.387 -3.802 2.810 621 H HIS 85 HN HIS 85 9.889 -3.078 7.332 622 HA HIS 85 HA HIS 85 12.415 -1.799 7.231 623 HB2 HIS 85 2HB HIS 85 12.251 -0.466 9.322 624 HB3 HIS 85 1HB HIS 85 11.268 0.176 8.018 625 HD1 HIS 85 1HD HIS 85 10.312 -2.506 10.565 626 HD2 HIS 85 2HD HIS 85 9.207 1.312 9.350 627 HE1 HIS 85 1HE HIS 85 8.296 -1.911 11.947 628 HE2 HIS 85 2HE HIS 85 7.798 0.491 11.365 629 HA PRO 86 HA PRO 86 13.111 -5.100 10.187 630 HB2 PRO 86 2HB PRO 86 15.890 -4.571 10.209 631 HB3 PRO 86 1HB PRO 86 15.052 -5.756 9.206 632 HG2 PRO 86 2HG PRO 86 16.365 -3.459 8.292 633 HG3 PRO 86 1HG PRO 86 15.232 -4.452 7.363 634 HD2 PRO 86 2HD PRO 86 14.766 -1.878 8.800 635 HD3 PRO 86 1HD PRO 86 14.046 -2.477 7.290 636 H ASP 87 HN ASP 87 12.725 -4.789 12.319 637 HA ASP 87 HA ASP 87 14.181 -2.916 13.912 638 HB2 ASP 87 2HB ASP 87 12.711 -1.409 12.525 639 HB3 ASP 87 1HB ASP 87 11.316 -2.175 13.276 640 H HIS 88 HN HIS 88 10.947 -4.322 13.621 641 HA HIS 88 HA HIS 88 11.360 -5.805 16.098 642 HB2 HIS 88 2HB HIS 88 9.214 -3.764 15.624 643 HB3 HIS 88 1HB HIS 88 8.849 -5.176 16.605 644 HD1 HIS 88 1HD HIS 88 11.050 -2.101 16.571 645 HD2 HIS 88 2HD HIS 88 9.884 -5.136 19.169 646 HE1 HIS 88 1HE HIS 88 11.851 -1.397 18.843 647 HE2 HIS 88 2HE HIS 88 10.902 -3.112 20.422 648 HA PRO 89 HA PRO 89 9.785 -9.096 13.837 649 HB2 PRO 89 2HB PRO 89 8.297 -10.522 15.623 650 HB3 PRO 89 1HB PRO 89 10.062 -10.451 15.651 651 HG2 PRO 89 2HG PRO 89 8.073 -8.954 17.304 652 HG3 PRO 89 1HG PRO 89 9.618 -9.679 17.790 653 HD2 PRO 89 2HD PRO 89 9.317 -7.021 17.327 654 HD3 PRO 89 1HD PRO 89 10.841 -7.878 17.035 655 H ALA 90 HN ALA 90 8.468 -7.716 12.480 656 HA ALA 90 HA ALA 90 6.615 -7.361 11.240 657 HB1 ALA 90 1HB ALA 90 6.562 -9.780 11.164 658 HB2 ALA 90 2HB ALA 90 4.926 -9.121 11.180 659 HB3 ALA 90 3HB ALA 90 5.609 -9.826 12.647 660 H ARG 91 HN ARG 91 6.788 -6.272 14.049 661 HA ARG 91 HA ARG 91 3.988 -5.403 14.137 662 HB2 ARG 91 2HB ARG 91 4.102 -5.199 16.568 663 HB3 ARG 91 1HB ARG 91 4.428 -6.851 16.078 664 HG2 ARG 91 2HG ARG 91 6.078 -6.640 17.597 665 HG3 ARG 91 1HG ARG 91 6.936 -5.951 16.219 666 HD2 ARG 91 2HD ARG 91 7.275 -4.476 18.053 667 HD3 ARG 91 1HD ARG 91 6.131 -3.696 16.964 668 HE ARG 91 HE ARG 91 4.841 -5.192 19.050 669 HH11 ARG 91 1HH1 ARG 91 6.249 -2.085 18.200 670 HH12 ARG 91 2HH1 ARG 91 5.460 -1.236 19.499 671 HH21 ARG 91 1HH2 ARG 91 3.802 -4.052 20.742 672 HH22 ARG 91 2HH2 ARG 91 4.074 -2.345 20.922 673 HA PRO 92 HA PRO 92 5.342 -1.314 13.470 674 HB2 PRO 92 2HB PRO 92 3.936 0.062 15.429 675 HB3 PRO 92 1HB PRO 92 3.293 -0.416 13.856 676 HG2 PRO 92 2HG PRO 92 2.992 -1.752 16.512 677 HG3 PRO 92 1HG PRO 92 1.793 -1.535 15.221 678 HD2 PRO 92 2HD PRO 92 3.015 -3.880 15.596 679 HD3 PRO 92 1HD PRO 92 2.655 -3.284 13.961 680 H SER 93 HN SER 93 6.728 0.308 14.201 681 HA SER 93 HA SER 93 8.165 -0.331 16.671 682 HB2 SER 93 2HB SER 93 9.392 0.011 14.475 683 HB3 SER 93 1HB SER 93 8.901 1.704 14.551 684 HG SER 93 HG SER 93 10.885 0.388 15.893 685 H ALA 94 HN ALA 94 9.109 1.966 17.582 686 HA ALA 94 HA ALA 94 6.954 3.286 18.812 687 HB1 ALA 94 1HB ALA 94 9.216 3.261 19.758 688 HB2 ALA 94 2HB ALA 94 8.604 4.908 19.589 689 HB3 ALA 94 3HB ALA 94 9.779 4.279 18.434 690 H THR 95 HN THR 95 8.952 4.122 16.034 691 HA THR 95 HA THR 95 7.880 6.644 15.460 692 HB THR 95 HB THR 95 8.890 4.678 13.398 693 HG1 THR 95 1HG THR 95 10.948 5.136 14.047 694 HG21 THR 95 3HG2 THR 95 9.752 6.693 12.305 695 HG22 THR 95 1HG2 THR 95 9.100 7.686 13.608 696 HG23 THR 95 2HG2 THR 95 8.007 6.801 12.545 697 H ASP 96 HN ASP 96 6.880 3.394 14.455 698 HA ASP 96 HA ASP 96 4.903 4.118 12.601 699 HB2 ASP 96 2HB ASP 96 5.140 1.707 14.406 700 HB3 ASP 96 1HB ASP 96 3.855 1.883 13.219 701 H LEU 97 HN LEU 97 4.760 3.616 16.088 702 HA LEU 97 HA LEU 97 1.980 4.063 16.395 703 HB2 LEU 97 2HB LEU 97 3.779 3.057 18.013 704 HB3 LEU 97 1HB LEU 97 4.013 4.717 18.507 705 HG LEU 97 HG LEU 97 2.546 3.489 20.035 706 HD11 LEU 97 1HD1 LEU 97 2.219 5.868 19.897 707 HD12 LEU 97 2HD1 LEU 97 0.659 5.063 20.093 708 HD13 LEU 97 3HD1 LEU 97 1.145 5.671 18.509 709 HD21 LEU 97 3HD2 LEU 97 0.710 3.236 17.664 710 HD22 LEU 97 1HD2 LEU 97 0.306 2.810 19.328 711 HD23 LEU 97 2HD2 LEU 97 1.567 1.923 18.472 712 H GLU 98 HN GLU 98 4.818 6.136 16.620 713 HA GLU 98 HA GLU 98 3.596 8.450 17.599 714 HB2 GLU 98 2HB GLU 98 6.090 8.003 15.978 715 HB3 GLU 98 1HB GLU 98 5.629 9.593 16.556 716 HG2 GLU 98 2HG GLU 98 5.686 8.746 18.861 717 HG3 GLU 98 1HG GLU 98 6.213 7.177 18.248 718 H GLU 99 HN GLU 99 3.971 7.329 14.262 719 HA GLU 99 HA GLU 99 2.809 9.878 13.374 720 HB2 GLU 99 2HB GLU 99 4.618 7.945 11.937 721 HB3 GLU 99 1HB GLU 99 3.849 9.327 11.165 722 HG2 GLU 99 2HG GLU 99 4.978 10.837 12.696 723 HG3 GLU 99 1HG GLU 99 5.719 9.465 13.516 724 H ALA 100 HN ALA 100 1.462 7.257 14.226 725 HA ALA 100 HA ALA 100 -0.188 6.975 11.804 726 HB1 ALA 100 1HB ALA 100 -1.041 4.910 12.769 727 HB2 ALA 100 2HB ALA 100 -0.070 5.174 14.219 728 HB3 ALA 100 3HB ALA 100 0.720 4.879 12.670 729 H THR 101 HN THR 101 -1.702 8.537 11.881 730 HA THR 101 HA THR 101 -3.519 8.526 14.174 731 HB THR 101 HB THR 101 -2.623 11.154 13.018 732 HG1 THR 101 1HG THR 101 -1.272 9.488 14.778 733 HG21 THR 101 3HG2 THR 101 -4.703 11.109 14.340 734 HG22 THR 101 1HG2 THR 101 -3.440 12.038 15.146 735 HG23 THR 101 2HG2 THR 101 -3.816 10.405 15.692 736 H PHE 102 HN PHE 102 -3.489 7.687 11.240 737 HA PHE 102 HA PHE 102 -5.938 9.119 10.513 738 HB2 PHE 102 2HB PHE 102 -5.223 9.017 8.094 739 HB3 PHE 102 1HB PHE 102 -4.341 10.156 9.101 740 HD1 PHE 102 2HD PHE 102 -2.054 9.404 9.988 741 HD2 PHE 102 1HD PHE 102 -4.102 7.455 6.809 742 HE1 PHE 102 2HE PHE 102 0.068 8.426 9.228 743 HE2 PHE 102 1HE PHE 102 -1.981 6.476 6.040 744 HZ PHE 102 HZ PHE 102 0.108 6.962 7.250 745 HA PRO 103 HA PRO 103 -6.868 4.637 10.534 746 HB2 PRO 103 2HB PRO 103 -9.552 5.648 11.183 747 HB3 PRO 103 1HB PRO 103 -8.548 4.495 12.066 748 HG2 PRO 103 2HG PRO 103 -9.002 6.977 12.990 749 HG3 PRO 103 1HG PRO 103 -7.455 6.148 13.245 750 HD2 PRO 103 2HD PRO 103 -8.165 8.261 11.241 751 HD3 PRO 103 1HD PRO 103 -6.696 8.093 12.227 752 H GLY 104 HN GLY 104 -8.888 3.542 9.495 753 HA2 GLY 104 2HA GLY 104 -10.399 3.388 7.702 754 HA3 GLY 104 1HA GLY 104 -9.908 4.997 7.183 755 H PHE 105 HN PHE 105 -7.062 4.153 7.511 756 HA PHE 105 HA PHE 105 -6.772 2.731 4.969 757 HB2 PHE 105 2HB PHE 105 -4.807 4.368 6.590 758 HB3 PHE 105 1HB PHE 105 -4.393 3.507 5.113 759 HD1 PHE 105 1HD PHE 105 -6.352 6.305 6.504 760 HD2 PHE 105 2HD PHE 105 -4.940 4.376 2.982 761 HE1 PHE 105 1HE PHE 105 -7.018 8.262 5.168 762 HE2 PHE 105 2HE PHE 105 -5.603 6.329 1.643 763 HZ PHE 105 HZ PHE 105 -6.642 8.274 2.733 764 H THR 106 HN THR 106 -5.659 0.822 4.831 765 HA THR 106 HA THR 106 -5.145 -0.573 7.330 766 HB THR 106 HB THR 106 -4.893 -1.613 4.498 767 HG1 THR 106 1HG THR 106 -7.087 -2.180 6.176 768 HG21 THR 106 3HG2 THR 106 -5.209 -3.063 7.132 769 HG22 THR 106 1HG2 THR 106 -3.721 -2.955 6.189 770 HG23 THR 106 2HG2 THR 106 -5.117 -3.817 5.540 771 H TYR 107 HN TYR 107 -3.176 -0.728 8.187 772 HA TYR 107 HA TYR 107 -0.896 0.266 6.649 773 HB2 TYR 107 2HB TYR 107 -1.116 -0.432 9.587 774 HB3 TYR 107 1HB TYR 107 0.285 0.291 8.811 775 HD1 TYR 107 1HD TYR 107 -0.161 2.585 7.599 776 HD2 TYR 107 2HD TYR 107 -2.666 0.927 10.612 777 HE1 TYR 107 1HE TYR 107 -1.045 4.826 8.092 778 HE2 TYR 107 2HE TYR 107 -3.557 3.162 11.109 779 HH TYR 107 HH TYR 107 -3.270 5.753 9.142 780 H VAL 108 HN VAL 108 0.082 -1.270 5.459 781 HA VAL 108 HA VAL 108 0.304 -3.966 6.575 782 HB VAL 108 HB VAL 108 1.097 -2.959 3.829 783 HG11 VAL 108 1HG1 VAL 108 1.275 -5.331 3.237 784 HG12 VAL 108 2HG1 VAL 108 0.945 -5.773 4.911 785 HG13 VAL 108 3HG1 VAL 108 2.418 -4.893 4.506 786 HG21 VAL 108 3HG2 VAL 108 -0.891 -4.191 3.057 787 HG22 VAL 108 1HG2 VAL 108 -1.306 -2.871 4.149 788 HG23 VAL 108 2HG2 VAL 108 -1.312 -4.534 4.735 789 H ILE 109 HN ILE 109 1.968 -4.447 7.745 790 HA ILE 109 HA ILE 109 4.536 -3.104 7.222 791 HB ILE 109 HB ILE 109 3.580 -4.410 9.781 792 HG12 ILE 109 2HG1 ILE 109 4.021 -1.488 9.098 793 HG13 ILE 109 1HG1 ILE 109 2.458 -2.269 9.307 794 HG21 ILE 109 1HG2 ILE 109 5.640 -3.522 10.778 795 HG22 ILE 109 2HG2 ILE 109 6.142 -2.921 9.198 796 HG23 ILE 109 3HG2 ILE 109 5.991 -4.656 9.472 797 HD11 ILE 109 3HD1 ILE 109 4.551 -1.938 11.435 798 HD12 ILE 109 1HD1 ILE 109 2.980 -2.712 11.642 799 HD13 ILE 109 2HD1 ILE 109 3.074 -0.988 11.273 800 H VAL 110 HN VAL 110 5.952 -4.327 6.226 801 HA VAL 110 HA VAL 110 5.724 -7.242 6.496 802 HB VAL 110 HB VAL 110 5.360 -6.635 4.214 803 HG11 VAL 110 1HG1 VAL 110 7.909 -5.038 4.364 804 HG12 VAL 110 2HG1 VAL 110 6.271 -4.393 4.243 805 HG13 VAL 110 3HG1 VAL 110 6.957 -5.318 2.905 806 HG21 VAL 110 3HG2 VAL 110 6.737 -8.606 4.500 807 HG22 VAL 110 1HG2 VAL 110 8.195 -7.613 4.544 808 HG23 VAL 110 2HG2 VAL 110 7.246 -7.720 3.063 809 H SER 111 HN SER 111 7.361 -8.381 7.206 810 HA SER 111 HA SER 111 9.595 -6.991 8.373 811 HB2 SER 111 2HB SER 111 8.423 -8.861 9.522 812 HB3 SER 111 1HB SER 111 8.975 -9.954 8.255 813 HG SER 111 HG SER 111 10.436 -10.161 9.874 814 H VAL 112 HN VAL 112 11.165 -6.379 6.995 815 HA VAL 112 HA VAL 112 12.044 -8.308 4.948 816 HB VAL 112 HB VAL 112 12.384 -5.299 4.934 817 HG11 VAL 112 1HG1 VAL 112 13.249 -5.617 2.663 818 HG12 VAL 112 2HG1 VAL 112 13.132 -7.365 2.864 819 HG13 VAL 112 3HG1 VAL 112 14.251 -6.435 3.861 820 HG21 VAL 112 3HG2 VAL 112 10.830 -5.345 3.040 821 HG22 VAL 112 1HG2 VAL 112 10.080 -5.957 4.512 822 HG23 VAL 112 2HG2 VAL 112 10.613 -7.081 3.262 823 H ARG 113 HN ARG 113 13.887 -9.275 5.405 824 HA ARG 113 HA ARG 113 15.692 -7.931 7.304 825 HB2 ARG 113 2HB ARG 113 15.149 -10.855 6.795 826 HB3 ARG 113 1HB ARG 113 16.523 -10.291 7.738 827 HG2 ARG 113 2HG ARG 113 15.179 -9.469 9.447 828 HG3 ARG 113 1HG ARG 113 13.742 -9.427 8.423 829 HD2 ARG 113 2HD ARG 113 13.798 -11.265 10.137 830 HD3 ARG 113 1HD ARG 113 13.529 -11.788 8.475 831 HE ARG 113 HE ARG 113 16.289 -11.842 9.375 832 HH11 ARG 113 1HH1 ARG 113 13.279 -13.626 9.162 833 HH12 ARG 113 2HH1 ARG 113 14.057 -15.176 9.028 834 HH21 ARG 113 1HH2 ARG 113 17.320 -13.885 9.231 835 HH22 ARG 113 2HH2 ARG 113 16.354 -15.320 9.051 836 H ASP 114 HN ASP 114 16.765 -6.768 5.781 837 HA ASP 114 HA ASP 114 18.512 -6.264 4.445 838 HB2 ASP 114 2HB ASP 114 19.761 -7.912 5.793 839 HB3 ASP 114 1HB ASP 114 19.250 -9.181 4.688 840 H GLY 115 HN GLY 115 17.847 -9.578 3.322 841 HA2 GLY 115 2HA GLY 115 16.869 -8.399 0.800 842 HA3 GLY 115 1HA GLY 115 18.082 -9.672 0.775 843 H ALA 116 HN ALA 116 16.016 -10.119 3.349 844 HA ALA 116 HA ALA 116 14.490 -12.094 1.799 845 HB1 ALA 116 1HB ALA 116 14.449 -13.494 3.787 846 HB2 ALA 116 2HB ALA 116 15.369 -12.278 4.672 847 HB3 ALA 116 3HB ALA 116 16.104 -13.122 3.311 848 HA PRO 117 HA PRO 117 10.948 -9.789 3.407 849 HB2 PRO 117 2HB PRO 117 9.469 -11.353 1.443 850 HB3 PRO 117 1HB PRO 117 9.675 -9.604 1.538 851 HG2 PRO 117 2HG PRO 117 10.802 -11.112 -0.413 852 HG3 PRO 117 1HG PRO 117 11.539 -9.620 0.197 853 HD2 PRO 117 2HD PRO 117 12.202 -12.467 0.854 854 HD3 PRO 117 1HD PRO 117 13.293 -11.093 0.565 855 H GLU 118 HN GLU 118 10.625 -10.727 5.342 856 HA GLU 118 HA GLU 118 10.444 -13.556 5.676 857 HB2 GLU 118 2HB GLU 118 11.535 -12.087 7.307 858 HB3 GLU 118 1HB GLU 118 10.002 -11.303 7.638 859 HG2 GLU 118 2HG GLU 118 9.118 -13.347 8.565 860 HG3 GLU 118 1HG GLU 118 10.603 -14.203 8.148 861 H ALA 119 HN ALA 119 8.153 -11.034 6.759 862 HA ALA 119 HA ALA 119 5.947 -12.785 5.969 863 HB1 ALA 119 1HB ALA 119 6.503 -13.430 8.255 864 HB2 ALA 119 2HB ALA 119 4.914 -12.671 8.172 865 HB3 ALA 119 3HB ALA 119 6.295 -11.759 8.780 866 H LEU 120 HN LEU 120 4.034 -11.796 5.583 867 HA LEU 120 HA LEU 120 3.985 -8.859 5.597 868 HB2 LEU 120 2HB LEU 120 2.259 -10.921 4.220 869 HB3 LEU 120 1HB LEU 120 1.924 -9.203 4.185 870 HG LEU 120 HG LEU 120 4.503 -10.360 3.149 871 HD11 LEU 120 1HD1 LEU 120 1.983 -9.742 1.607 872 HD12 LEU 120 2HD1 LEU 120 2.622 -11.354 1.927 873 HD13 LEU 120 3HD1 LEU 120 3.534 -10.232 0.919 874 HD21 LEU 120 3HD2 LEU 120 4.519 -7.980 3.678 875 HD22 LEU 120 1HD2 LEU 120 3.082 -7.739 2.689 876 HD23 LEU 120 2HD2 LEU 120 4.597 -8.235 1.935 877 H THR 121 HN THR 121 2.917 -7.866 7.211 878 HA THR 121 HA THR 121 0.556 -9.226 8.310 879 HB THR 121 HB THR 121 1.087 -8.203 10.537 880 HG1 THR 121 1HG THR 121 3.155 -7.168 9.092 881 HG21 THR 121 3HG2 THR 121 1.518 -10.566 10.088 882 HG22 THR 121 1HG2 THR 121 2.746 -9.894 11.161 883 HG23 THR 121 2HG2 THR 121 3.114 -10.160 9.457 884 H ALA 122 HN ALA 122 -1.231 -8.004 8.465 885 HA ALA 122 HA ALA 122 -0.950 -5.173 7.696 886 HB1 ALA 122 1HB ALA 122 -2.162 -6.541 6.057 887 HB2 ALA 122 2HB ALA 122 -3.207 -5.320 6.783 888 HB3 ALA 122 3HB ALA 122 -3.321 -7.001 7.304 889 H TRP 123 HN TRP 123 -1.817 -3.634 8.898 890 HA TRP 123 HA TRP 123 -3.112 -4.464 11.409 891 HB2 TRP 123 2HB TRP 123 -1.109 -2.233 11.014 892 HB3 TRP 123 1HB TRP 123 -1.887 -2.665 12.532 893 HD1 TRP 123 1HD TRP 123 0.788 -3.905 10.074 894 HE1 TRP 123 1HE TRP 123 2.300 -5.590 11.319 895 HE3 TRP 123 3HE TRP 123 -1.889 -4.349 14.407 896 HZ2 TRP 123 2HZ TRP 123 2.336 -6.922 13.810 897 HZ3 TRP 123 3HZ TRP 123 -1.070 -5.872 16.151 898 HH2 TRP 123 2HH TRP 123 1.012 -7.122 15.865 899 H ALA 124 HN ALA 124 -4.818 -3.321 12.075 900 HA ALA 124 HA ALA 124 -5.581 -0.951 10.505 901 HB1 ALA 124 1HB ALA 124 -7.203 -2.784 10.386 902 HB2 ALA 124 2HB ALA 124 -7.879 -1.385 11.221 903 HB3 ALA 124 3HB ALA 124 -7.336 -2.787 12.145 904 H LEU 125 HN LEU 125 -5.510 0.955 11.529 905 HA LEU 125 HA LEU 125 -4.896 1.058 14.344 906 HB2 LEU 125 2HB LEU 125 -3.831 2.669 12.895 907 HB3 LEU 125 1HB LEU 125 -5.383 3.224 12.298 908 HG LEU 125 HG LEU 125 -5.902 4.061 14.592 909 HD11 LEU 125 1HD1 LEU 125 -3.012 3.396 15.115 910 HD12 LEU 125 2HD1 LEU 125 -4.410 2.616 15.854 911 HD13 LEU 125 3HD1 LEU 125 -4.073 4.315 16.183 912 HD21 LEU 125 3HD2 LEU 125 -4.439 6.017 14.450 913 HD22 LEU 125 1HD2 LEU 125 -5.082 5.564 12.871 914 HD23 LEU 125 2HD2 LEU 125 -3.416 5.164 13.294 915 H ALA 126 HN ALA 126 -6.363 1.021 15.871 916 HA ALA 126 HA ALA 126 -9.126 1.101 15.464 917 HB1 ALA 126 1HB ALA 126 -9.298 1.345 17.895 918 HB2 ALA 126 2HB ALA 126 -7.576 1.720 17.981 919 HB3 ALA 126 3HB ALA 126 -8.105 0.121 17.455 920 HA PRO 127 HA PRO 127 -9.830 5.424 14.672 921 HB2 PRO 127 2HB PRO 127 -12.456 4.853 15.948 922 HB3 PRO 127 1HB PRO 127 -12.106 5.578 14.376 923 HG2 PRO 127 2HG PRO 127 -12.982 3.073 14.538 924 HG3 PRO 127 1HG PRO 127 -11.730 3.521 13.363 925 HD2 PRO 127 2HD PRO 127 -11.454 2.088 15.975 926 HD3 PRO 127 1HD PRO 127 -10.606 1.809 14.439 927 H ASP 128 HN ASP 128 -10.457 3.883 17.727 928 HA ASP 128 HA ASP 128 -10.723 6.157 19.368 929 HB2 ASP 128 2HB ASP 128 -9.689 3.381 19.984 930 HB3 ASP 128 1HB ASP 128 -10.032 4.600 21.205 931 H ARG 129 HN ARG 129 -8.024 4.838 17.732 932 HA ARG 129 HA ARG 129 -5.807 5.308 17.682 933 HB2 ARG 129 2HB ARG 129 -6.911 7.818 18.916 934 HB3 ARG 129 1HB ARG 129 -5.182 7.624 18.649 935 HG2 ARG 129 2HG ARG 129 -5.457 7.486 16.314 936 HG3 ARG 129 1HG ARG 129 -7.204 7.272 16.457 937 HD2 ARG 129 2HD ARG 129 -5.828 9.750 17.440 938 HD3 ARG 129 1HD ARG 129 -6.323 9.576 15.757 939 HE ARG 129 HE ARG 129 -8.623 9.120 16.792 940 HH11 ARG 129 1HH1 ARG 129 -6.249 11.226 18.272 941 HH12 ARG 129 2HH1 ARG 129 -7.439 12.331 18.888 942 HH21 ARG 129 1HH2 ARG 129 -10.184 10.567 17.602 943 HH22 ARG 129 2HH2 ARG 129 -9.668 11.947 18.536 944 H SER 130 HN SER 130 -6.639 3.624 19.691 945 HA SER 130 HA SER 130 -5.025 4.360 22.021 946 HB2 SER 130 2HB SER 130 -7.319 3.663 22.512 947 HB3 SER 130 1HB SER 130 -7.065 2.150 21.646 948 HG SER 130 HG SER 130 -5.402 2.869 23.817 949 H GLU 131 HN GLU 131 -5.267 2.078 19.386 950 HA GLU 131 HA GLU 131 -2.618 1.116 19.728 951 HB2 GLU 131 2HB GLU 131 -3.125 -1.202 20.310 952 HB3 GLU 131 1HB GLU 131 -3.696 -0.121 21.575 953 HG2 GLU 131 2HG GLU 131 -5.970 -0.264 20.609 954 HG3 GLU 131 1HG GLU 131 -5.364 -1.445 19.447 955 H PHE 132 HN PHE 132 -2.349 -0.946 18.303 956 HA PHE 132 HA PHE 132 -3.959 -0.634 15.862 957 HB2 PHE 132 2HB PHE 132 -1.255 -1.923 16.306 958 HB3 PHE 132 1HB PHE 132 -2.133 -1.987 14.786 959 HD1 PHE 132 1HD PHE 132 -2.612 0.185 13.587 960 HD2 PHE 132 2HD PHE 132 0.114 -0.127 16.838 961 HE1 PHE 132 1HE PHE 132 -1.534 2.284 12.883 962 HE2 PHE 132 2HE PHE 132 1.189 1.971 16.146 963 HZ PHE 132 HZ PHE 132 0.369 3.179 14.168 964 H HIS 133 HN HIS 133 -4.829 -2.493 14.867 965 HA HIS 133 HA HIS 133 -4.706 -4.949 16.487 966 HB2 HIS 133 2HB HIS 133 -7.054 -3.851 14.942 967 HB3 HIS 133 1HB HIS 133 -6.979 -5.503 15.530 968 HD1 HIS 133 1HD HIS 133 -7.495 -5.908 17.977 969 HD2 HIS 133 2HD HIS 133 -7.352 -1.879 16.972 970 HE1 HIS 133 1HE HIS 133 -8.427 -4.683 19.966 971 HE2 HIS 133 2HE HIS 133 -8.572 -2.280 19.221 972 H ARG 134 HN ARG 134 -4.306 -6.791 15.414 973 HA ARG 134 HA ARG 134 -3.285 -6.480 12.715 974 HB2 ARG 134 2HB ARG 134 -1.975 -7.691 14.405 975 HB3 ARG 134 1HB ARG 134 -3.255 -8.889 14.527 976 HG2 ARG 134 2HG ARG 134 -2.461 -9.987 12.798 977 HG3 ARG 134 1HG ARG 134 -2.478 -8.543 11.789 978 HD2 ARG 134 2HD ARG 134 -0.244 -9.259 11.832 979 HD3 ARG 134 1HD ARG 134 -0.320 -7.901 12.948 980 HE ARG 134 HE ARG 134 -0.750 -10.250 14.404 981 HH11 ARG 134 1HH1 ARG 134 1.859 -8.691 12.644 982 HH12 ARG 134 2HH1 ARG 134 3.100 -9.408 13.616 983 HH21 ARG 134 1HH2 ARG 134 0.864 -11.182 15.666 984 HH22 ARG 134 2HH2 ARG 134 2.542 -10.844 15.335 985 H GLU 135 HN GLU 135 -4.321 -7.071 10.975 986 HA GLU 135 HA GLU 135 -6.798 -8.632 11.301 987 HB2 GLU 135 2HB GLU 135 -7.153 -6.295 10.534 988 HB3 GLU 135 1HB GLU 135 -6.150 -6.626 9.131 989 HG2 GLU 135 2HG GLU 135 -7.733 -8.231 8.308 990 HG3 GLU 135 1HG GLU 135 -8.699 -8.081 9.775 991 H ASP 136 HN ASP 136 -7.272 -10.185 9.737 992 HA ASP 136 HA ASP 136 -4.892 -11.438 8.658 993 HB2 ASP 136 2HB ASP 136 -7.774 -12.364 8.729 994 HB3 ASP 136 1HB ASP 136 -6.447 -13.306 8.058 995 H ILE 137 HN ILE 137 -4.451 -11.724 6.519 996 HA ILE 137 HA ILE 137 -5.815 -9.946 4.692 997 HB ILE 137 HB ILE 137 -3.495 -11.822 4.173 998 HG12 ILE 137 2HG1 ILE 137 -3.502 -8.839 4.709 999 HG13 ILE 137 1HG1 ILE 137 -3.000 -10.069 5.860 1000 HG21 ILE 137 1HG2 ILE 137 -3.139 -10.493 2.156 1001 HG22 ILE 137 2HG2 ILE 137 -4.558 -9.518 2.537 1002 HG23 ILE 137 3HG2 ILE 137 -4.741 -11.229 2.151 1003 HD11 ILE 137 3HD1 ILE 137 -1.094 -8.997 4.800 1004 HD12 ILE 137 1HD1 ILE 137 -1.686 -9.502 3.217 1005 HD13 ILE 137 2HD1 ILE 137 -1.172 -10.712 4.393 1006 H VAL 138 HN VAL 138 -7.536 -10.567 3.597 1007 HA VAL 138 HA VAL 138 -8.012 -13.452 3.261 1008 HB VAL 138 HB VAL 138 -10.219 -11.500 2.925 1009 HG11 VAL 138 1HG1 VAL 138 -10.643 -13.829 2.506 1010 HG12 VAL 138 2HG1 VAL 138 -11.531 -13.318 3.943 1011 HG13 VAL 138 3HG1 VAL 138 -10.048 -14.259 4.109 1012 HG21 VAL 138 3HG2 VAL 138 -10.709 -11.483 5.331 1013 HG22 VAL 138 1HG2 VAL 138 -9.172 -10.696 4.972 1014 HG23 VAL 138 2HG2 VAL 138 -9.192 -12.329 5.637 1015 H ARG 139 HN ARG 139 -9.112 -14.101 1.348 1016 HA ARG 139 HA ARG 139 -8.204 -12.555 -0.971 1017 HB2 ARG 139 2HB ARG 139 -8.668 -15.503 -0.537 1018 HB3 ARG 139 1HB ARG 139 -8.360 -14.800 -2.113 1019 HG2 ARG 139 2HG ARG 139 -6.166 -14.462 -1.693 1020 HG3 ARG 139 1HG ARG 139 -6.432 -14.148 0.023 1021 HD2 ARG 139 2HD ARG 139 -6.650 -16.867 -1.258 1022 HD3 ARG 139 1HD ARG 139 -5.195 -16.263 -0.466 1023 HE ARG 139 HE ARG 139 -7.739 -16.446 1.008 1024 HH11 ARG 139 1HH1 ARG 139 -4.383 -17.345 0.611 1025 HH12 ARG 139 2HH1 ARG 139 -4.253 -18.088 2.172 1026 HH21 ARG 139 1HH2 ARG 139 -7.579 -17.372 3.094 1027 HH22 ARG 139 2HH2 ARG 139 -6.064 -18.053 3.613 1028 HA PRO 140 HA PRO 140 -12.511 -11.886 -1.864 1029 HB2 PRO 140 2HB PRO 140 -12.175 -11.052 -4.447 1030 HB3 PRO 140 1HB PRO 140 -11.912 -10.016 -3.040 1031 HG2 PRO 140 2HG PRO 140 -9.919 -11.493 -4.709 1032 HG3 PRO 140 1HG PRO 140 -9.821 -9.859 -4.025 1033 HD2 PRO 140 2HD PRO 140 -8.559 -11.976 -2.910 1034 HD3 PRO 140 1HD PRO 140 -9.198 -10.631 -1.942 1035 H ASP 141 HN ASP 141 -14.092 -13.135 -2.682 1036 HA ASP 141 HA ASP 141 -13.505 -15.635 -3.883 1037 HB2 ASP 141 2HB ASP 141 -16.102 -14.129 -3.520 1038 HB3 ASP 141 1HB ASP 141 -16.019 -15.743 -4.215 1039 HA PRO 142 HA PRO 142 -13.685 -14.551 -8.194 1040 HB2 PRO 142 2HB PRO 142 -15.052 -17.042 -8.851 1041 HB3 PRO 142 1HB PRO 142 -13.391 -16.563 -9.211 1042 HG2 PRO 142 2HG PRO 142 -14.004 -18.505 -7.418 1043 HG3 PRO 142 1HG PRO 142 -12.566 -17.477 -7.277 1044 HD2 PRO 142 2HD PRO 142 -15.189 -17.274 -5.839 1045 HD3 PRO 142 1HD PRO 142 -13.541 -17.056 -5.212 1046 H GLU 143 HN GLU 143 -16.010 -14.166 -6.339 1047 HA GLU 143 HA GLU 143 -17.998 -13.485 -8.372 1048 HB2 GLU 143 2HB GLU 143 -18.738 -14.690 -5.719 1049 HB3 GLU 143 1HB GLU 143 -19.823 -14.294 -7.038 1050 HG2 GLU 143 2HG GLU 143 -18.837 -16.054 -8.396 1051 HG3 GLU 143 1HG GLU 143 -17.715 -16.442 -7.093 1052 H ALA 144 HN ALA 144 -16.985 -11.437 -8.008 1053 HA ALA 144 HA ALA 144 -17.172 -10.275 -5.345 1054 HB1 ALA 144 1HB ALA 144 -15.772 -8.495 -6.201 1055 HB2 ALA 144 2HB ALA 144 -15.926 -9.125 -7.840 1056 HB3 ALA 144 3HB ALA 144 -15.072 -10.061 -6.615 1057 HA PRO 145 HA PRO 145 -20.837 -7.898 -6.181 1058 HB2 PRO 145 2HB PRO 145 -19.629 -5.897 -4.384 1059 HB3 PRO 145 1HB PRO 145 -21.166 -6.750 -4.239 1060 HG2 PRO 145 2HG PRO 145 -19.077 -7.327 -2.655 1061 HG3 PRO 145 1HG PRO 145 -20.210 -8.575 -3.204 1062 HD2 PRO 145 2HD PRO 145 -17.451 -7.960 -4.167 1063 HD3 PRO 145 1HD PRO 145 -18.259 -9.529 -3.977 1064 H LEU 146 HN LEU 146 -21.325 -6.342 -7.641 1065 HA LEU 146 HA LEU 146 -19.053 -5.050 -8.922 1066 HB2 LEU 146 2HB LEU 146 -21.895 -5.373 -9.862 1067 HB3 LEU 146 1HB LEU 146 -20.588 -4.689 -10.794 1068 HG LEU 146 HG LEU 146 -20.743 -7.539 -9.847 1069 HD11 LEU 146 1HD1 LEU 146 -21.061 -6.365 -12.604 1070 HD12 LEU 146 2HD1 LEU 146 -22.349 -7.050 -11.614 1071 HD13 LEU 146 3HD1 LEU 146 -21.048 -8.083 -12.204 1072 HD21 LEU 146 3HD2 LEU 146 -18.774 -7.893 -11.246 1073 HD22 LEU 146 1HD2 LEU 146 -18.448 -6.736 -9.954 1074 HD23 LEU 146 2HD2 LEU 146 -18.717 -6.165 -11.603 1075 H GLU 147 HN GLU 147 -18.723 -2.954 -8.917 1076 HA GLU 147 HA GLU 147 -20.709 -1.158 -7.734 1077 HB2 GLU 147 2HB GLU 147 -18.023 -1.374 -7.360 1078 HB3 GLU 147 1HB GLU 147 -18.068 -0.154 -8.621 1079 HG2 GLU 147 2HG GLU 147 -19.658 0.080 -6.090 1080 HG3 GLU 147 1HG GLU 147 -18.001 0.646 -6.240 1081 H HIS 148 HN HIS 148 -21.034 0.953 -8.887 1082 HA HIS 148 HA HIS 148 -21.183 0.443 -11.778 1083 HB2 HIS 148 2HB HIS 148 -22.648 2.501 -10.107 1084 HB3 HIS 148 1HB HIS 148 -22.829 2.292 -11.845 1085 HD1 HIS 148 1HD HIS 148 -23.914 -0.047 -12.613 1086 HD2 HIS 148 2HD HIS 148 -24.238 0.892 -8.571 1087 HE1 HIS 148 1HE HIS 148 -25.730 -1.530 -11.715 1088 HE2 HIS 148 2HE HIS 148 -26.020 -0.835 -9.312 1089 H HIS 149 HN HIS 149 -21.397 3.677 -10.591 1090 HA HIS 149 HA HIS 149 -18.630 4.350 -11.039 1091 HB2 HIS 149 2HB HIS 149 -20.757 5.125 -13.026 1092 HB3 HIS 149 1HB HIS 149 -19.344 6.140 -12.773 1093 HD1 HIS 149 1HD HIS 149 -20.506 3.604 -14.935 1094 HD2 HIS 149 2HD HIS 149 -16.859 4.385 -13.096 1095 HE1 HIS 149 1HE HIS 149 -18.780 2.386 -16.299 1096 HE2 HIS 149 2HE HIS 149 -16.625 2.686 -15.028 1097 H HIS 150 HN HIS 150 -18.356 5.540 -9.256 1098 HA HIS 150 HA HIS 150 -20.462 7.385 -8.435 1099 HB2 HIS 150 2HB HIS 150 -17.986 6.334 -7.117 1100 HB3 HIS 150 1HB HIS 150 -18.750 7.801 -6.510 1101 HD1 HIS 150 1HD HIS 150 -19.188 4.095 -6.684 1102 HD2 HIS 150 2HD HIS 150 -21.282 7.429 -5.329 1103 HE1 HIS 150 1HE HIS 150 -21.032 3.201 -5.229 1104 HE2 HIS 150 2HE HIS 150 -22.409 5.213 -4.608 1105 H HIS 151 HN HIS 151 -16.939 7.577 -9.073 1106 HA HIS 151 HA HIS 151 -17.359 10.127 -10.369 1107 HB2 HIS 151 2HB HIS 151 -15.835 11.409 -8.991 1108 HB3 HIS 151 1HB HIS 151 -17.113 10.757 -7.978 1109 HD1 HIS 151 1HD HIS 151 -16.437 9.167 -6.105 1110 HD2 HIS 151 2HD HIS 151 -13.255 10.298 -8.532 1111 HE1 HIS 151 1HE HIS 151 -14.368 8.387 -4.916 1112 HE2 HIS 151 2HE HIS 151 -12.454 9.297 -6.279 1113 H HIS 152 HN HIS 152 -15.438 10.934 -11.433 1114 HA HIS 152 HA HIS 152 -13.368 8.875 -11.870 1115 HB2 HIS 152 2HB HIS 152 -14.326 10.978 -13.837 1116 HB3 HIS 152 1HB HIS 152 -13.040 9.816 -14.124 1117 HD1 HIS 152 1HD HIS 152 -13.937 7.186 -14.017 1118 HD2 HIS 152 2HD HIS 152 -16.721 10.190 -14.753 1119 HE1 HIS 152 1HE HIS 152 -15.898 6.046 -15.100 1120 HE2 HIS 152 2HE HIS 152 -17.440 7.927 -15.776 1121 H HIS 153 HN HIS 153 -11.375 10.222 -12.975 1122 HA HIS 153 HA HIS 153 -10.653 12.241 -11.048 1123 HB2 HIS 153 2HB HIS 153 -8.512 12.397 -12.272 1124 HB3 HIS 153 1HB HIS 153 -8.890 10.752 -11.796 1125 HD1 HIS 153 1HD HIS 153 -9.401 9.058 -13.688 1126 HD2 HIS 153 2HD HIS 153 -8.325 12.850 -15.017 1127 HE1 HIS 153 1HE HIS 153 -8.843 8.789 -16.123 1128 HE2 HIS 153 2HE HIS 153 -8.351 11.120 -16.943 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -11.294 -6.443 4.724 2 H2 MET 1 H2 MET 1 -10.379 -5.414 5.707 3 H3 MET 1 H3 MET 1 -10.031 -7.073 5.673 4 HA MET 1 HA MET 1 -9.751 -5.195 3.395 5 HB2 MET 1 2HB MET 1 -8.047 -4.768 5.066 6 HB3 MET 1 1HB MET 1 -7.687 -6.483 5.187 7 HG2 MET 1 2HG MET 1 -6.942 -6.460 2.832 8 HG3 MET 1 1HG MET 1 -7.211 -4.719 2.797 9 HE1 MET 1 2HE MET 1 -4.444 -6.267 2.081 10 HE2 MET 1 3HE MET 1 -3.282 -5.158 2.810 11 HE3 MET 1 1HE MET 1 -4.662 -4.524 1.914 12 H LYS 2 HN LYS 2 -10.096 -6.230 1.550 13 HA LYS 2 HA LYS 2 -9.292 -9.061 1.354 14 HB2 LYS 2 2HB LYS 2 -11.333 -7.447 -0.164 15 HB3 LYS 2 1HB LYS 2 -10.655 -8.913 -0.856 16 HG2 LYS 2 2HG LYS 2 -12.717 -9.491 0.161 17 HG3 LYS 2 1HG LYS 2 -11.432 -10.135 1.184 18 HD2 LYS 2 2HD LYS 2 -11.672 -8.170 2.662 19 HD3 LYS 2 1HD LYS 2 -13.017 -7.613 1.666 20 HE2 LYS 2 2HE LYS 2 -12.923 -10.241 3.142 21 HE3 LYS 2 1HE LYS 2 -13.743 -8.790 3.714 22 HZ1 LYS 2 3HZ LYS 2 -15.361 -10.167 2.705 23 HZ2 LYS 2 1HZ LYS 2 -14.416 -10.413 1.318 24 HZ3 LYS 2 2HZ LYS 2 -15.084 -8.890 1.628 25 H THR 3 HN THR 3 -7.746 -9.664 -0.092 26 HA THR 3 HA THR 3 -6.788 -7.758 -2.058 27 HB THR 3 HB THR 3 -5.590 -7.138 0.038 28 HG1 THR 3 1HG THR 3 -4.418 -6.632 -1.728 29 HG21 THR 3 3HG2 THR 3 -4.389 -9.901 -0.203 30 HG22 THR 3 1HG2 THR 3 -5.460 -9.343 1.083 31 HG23 THR 3 2HG2 THR 3 -3.853 -8.640 0.909 32 H THR 4 HN THR 4 -4.796 -8.773 -3.224 33 HA THR 4 HA THR 4 -5.483 -11.587 -3.727 34 HB THR 4 HB THR 4 -4.409 -11.222 -5.953 35 HG1 THR 4 1HG THR 4 -4.154 -8.911 -6.517 36 HG21 THR 4 3HG2 THR 4 -6.227 -9.873 -6.911 37 HG22 THR 4 1HG2 THR 4 -6.674 -9.333 -5.290 38 HG23 THR 4 2HG2 THR 4 -6.833 -11.032 -5.731 39 HA PRO 5 HA PRO 5 -1.452 -12.991 -2.434 40 HB2 PRO 5 2HB PRO 5 -0.974 -14.760 -4.529 41 HB3 PRO 5 1HB PRO 5 -1.857 -15.141 -3.051 42 HG2 PRO 5 2HG PRO 5 -2.900 -14.422 -5.747 43 HG3 PRO 5 1HG PRO 5 -3.539 -15.581 -4.568 44 HD2 PRO 5 2HD PRO 5 -4.661 -13.175 -4.932 45 HD3 PRO 5 1HD PRO 5 -4.584 -13.934 -3.329 46 H ASP 6 HN ASP 6 -2.077 -11.943 -5.689 47 HA ASP 6 HA ASP 6 0.520 -11.614 -6.646 48 HB2 ASP 6 2HB ASP 6 -1.366 -11.488 -8.134 49 HB3 ASP 6 1HB ASP 6 -2.010 -10.106 -7.262 50 H ILE 7 HN ILE 7 -1.570 -9.369 -4.854 51 HA ILE 7 HA ILE 7 0.200 -7.175 -4.848 52 HB ILE 7 HB ILE 7 -1.948 -7.954 -2.867 53 HG12 ILE 7 2HG1 ILE 7 -2.787 -7.517 -5.118 54 HG13 ILE 7 1HG1 ILE 7 -3.283 -6.233 -4.020 55 HG21 ILE 7 1HG2 ILE 7 -0.497 -5.322 -3.118 56 HG22 ILE 7 2HG2 ILE 7 -0.344 -6.472 -1.790 57 HG23 ILE 7 3HG2 ILE 7 -1.876 -5.644 -2.063 58 HD11 ILE 7 3HD1 ILE 7 -2.596 -5.353 -6.179 59 HD12 ILE 7 1HD1 ILE 7 -1.005 -6.090 -5.985 60 HD13 ILE 7 2HD1 ILE 7 -1.518 -4.800 -4.898 61 H LEU 8 HN LEU 8 -0.271 -9.828 -2.535 62 HA LEU 8 HA LEU 8 1.582 -8.937 -0.614 63 HB2 LEU 8 2HB LEU 8 0.639 -11.724 -1.266 64 HB3 LEU 8 1HB LEU 8 1.604 -11.320 0.139 65 HG LEU 8 HG LEU 8 -1.181 -10.313 -0.443 66 HD11 LEU 8 1HD1 LEU 8 -1.191 -12.630 0.202 67 HD12 LEU 8 2HD1 LEU 8 -1.753 -11.647 1.556 68 HD13 LEU 8 3HD1 LEU 8 -0.112 -12.293 1.556 69 HD21 LEU 8 3HD2 LEU 8 -1.064 -9.346 1.810 70 HD22 LEU 8 1HD2 LEU 8 0.133 -8.630 0.730 71 HD23 LEU 8 2HD2 LEU 8 0.627 -9.831 1.925 72 H ASP 9 HN ASP 9 1.959 -10.947 -3.477 73 HA ASP 9 HA ASP 9 4.659 -11.681 -2.994 74 HB2 ASP 9 2HB ASP 9 3.069 -12.783 -4.633 75 HB3 ASP 9 1HB ASP 9 3.323 -11.401 -5.694 76 H GLN 10 HN GLN 10 3.140 -9.063 -4.828 77 HA GLN 10 HA GLN 10 5.465 -7.797 -5.740 78 HB2 GLN 10 2HB GLN 10 2.753 -6.676 -5.037 79 HB3 GLN 10 1HB GLN 10 4.012 -5.737 -5.824 80 HG2 GLN 10 2HG GLN 10 3.998 -7.299 -7.699 81 HG3 GLN 10 1HG GLN 10 2.736 -8.238 -6.903 82 HE21 GLN 10 1HE2 GLN 10 0.673 -7.422 -6.782 83 HE22 GLN 10 2HE2 GLN 10 0.133 -6.112 -7.770 84 H ILE 11 HN ILE 11 3.869 -7.724 -2.624 85 HA ILE 11 HA ILE 11 5.217 -5.521 -1.520 86 HB ILE 11 HB ILE 11 4.137 -7.980 -0.142 87 HG12 ILE 11 2HG1 ILE 11 2.424 -6.657 -1.279 88 HG13 ILE 11 1HG1 ILE 11 2.267 -6.488 0.462 89 HG21 ILE 11 1HG2 ILE 11 5.819 -6.959 1.264 90 HG22 ILE 11 2HG2 ILE 11 4.215 -6.636 1.924 91 HG23 ILE 11 3HG2 ILE 11 5.080 -5.373 1.046 92 HD11 ILE 11 3HD1 ILE 11 3.383 -4.315 0.351 93 HD12 ILE 11 1HD1 ILE 11 1.928 -4.363 -0.645 94 HD13 ILE 11 2HD1 ILE 11 3.517 -4.485 -1.399 95 H ARG 12 HN ARG 12 6.071 -8.996 -1.512 96 HA ARG 12 HA ARG 12 8.469 -8.606 -0.051 97 HB2 ARG 12 2HB ARG 12 8.974 -10.850 -0.447 98 HB3 ARG 12 1HB ARG 12 7.221 -10.818 -0.469 99 HG2 ARG 12 2HG ARG 12 7.211 -10.911 -2.878 100 HG3 ARG 12 1HG ARG 12 8.973 -10.805 -2.919 101 HD2 ARG 12 2HD ARG 12 9.064 -12.916 -1.607 102 HD3 ARG 12 1HD ARG 12 7.314 -13.036 -1.759 103 HE ARG 12 HE ARG 12 8.206 -12.802 -4.333 104 HH11 ARG 12 1HH1 ARG 12 8.869 -14.970 -1.664 105 HH12 ARG 12 2HH1 ARG 12 9.244 -16.325 -2.689 106 HH21 ARG 12 1HH2 ARG 12 8.718 -14.562 -5.686 107 HH22 ARG 12 2HH2 ARG 12 9.190 -16.078 -4.981 108 H VAL 13 HN VAL 13 7.648 -8.369 -3.436 109 HA VAL 13 HA VAL 13 10.302 -8.288 -4.434 110 HB VAL 13 HB VAL 13 7.781 -7.124 -5.637 111 HG11 VAL 13 1HG1 VAL 13 10.468 -7.678 -6.891 112 HG12 VAL 13 2HG1 VAL 13 9.753 -6.091 -6.606 113 HG13 VAL 13 3HG1 VAL 13 9.015 -7.196 -7.766 114 HG21 VAL 13 3HG2 VAL 13 7.739 -9.157 -6.991 115 HG22 VAL 13 1HG2 VAL 13 7.653 -9.541 -5.272 116 HG23 VAL 13 2HG2 VAL 13 9.169 -9.754 -6.148 117 H HIS 14 HN HIS 14 7.981 -5.730 -3.526 118 HA HIS 14 HA HIS 14 9.626 -3.584 -4.309 119 HB2 HIS 14 2HB HIS 14 7.969 -2.216 -3.569 120 HB3 HIS 14 1HB HIS 14 7.055 -3.713 -3.464 121 HD1 HIS 14 1HD HIS 14 8.943 -1.267 -1.264 122 HD2 HIS 14 2HD HIS 14 6.184 -4.363 -0.933 123 HE1 HIS 14 1HE HIS 14 8.191 -1.247 1.131 124 HE2 HIS 14 2HE HIS 14 6.650 -3.221 1.341 125 H GLY 15 HN GLY 15 9.635 -5.555 -1.450 126 HA2 GLY 15 2HA GLY 15 11.117 -3.814 0.232 127 HA3 GLY 15 1HA GLY 15 10.992 -5.559 0.408 128 H ALA 16 HN ALA 16 12.134 -6.515 -1.842 129 HA ALA 16 HA ALA 16 14.910 -6.111 -1.310 130 HB1 ALA 16 1HB ALA 16 15.279 -7.795 -3.039 131 HB2 ALA 16 2HB ALA 16 13.580 -7.700 -3.502 132 HB3 ALA 16 3HB ALA 16 14.028 -8.311 -1.908 133 H ASP 17 HN ASP 17 12.661 -5.036 -3.767 134 HA ASP 17 HA ASP 17 14.607 -4.245 -5.690 135 HB2 ASP 17 2HB ASP 17 12.252 -4.734 -6.228 136 HB3 ASP 17 1HB ASP 17 11.759 -3.308 -5.340 137 H ALA 18 HN ALA 18 12.902 -2.572 -3.135 138 HA ALA 18 HA ALA 18 13.954 0.010 -3.935 139 HB1 ALA 18 1HB ALA 18 11.661 -0.186 -3.081 140 HB2 ALA 18 2HB ALA 18 12.645 0.911 -2.112 141 HB3 ALA 18 3HB ALA 18 12.300 -0.712 -1.523 142 H TYR 19 HN TYR 19 14.706 -2.464 -1.609 143 HA TYR 19 HA TYR 19 16.134 -0.944 0.260 144 HB2 TYR 19 2HB TYR 19 15.560 -3.664 -0.150 145 HB3 TYR 19 1HB TYR 19 17.318 -3.562 -0.110 146 HD1 TYR 19 1HD TYR 19 14.411 -2.142 1.760 147 HD2 TYR 19 2HD TYR 19 18.298 -3.854 1.964 148 HE1 TYR 19 1HE TYR 19 14.332 -2.020 4.214 149 HE2 TYR 19 2HE TYR 19 18.231 -3.729 4.413 150 HH TYR 19 HH TYR 19 15.408 -3.183 6.146 151 HA PRO 20 HA PRO 20 18.006 -1.298 1.520 152 HB2 PRO 20 2HB PRO 20 20.001 0.297 2.296 153 HB3 PRO 20 1HB PRO 20 20.309 -1.345 1.720 154 HG2 PRO 20 2HG PRO 20 20.624 1.259 0.285 155 HG3 PRO 20 1HG PRO 20 21.676 -0.167 0.263 156 HD2 PRO 20 2HD PRO 20 19.808 0.454 -1.681 157 HD3 PRO 20 1HD PRO 20 20.461 -1.169 -1.387 158 H GLU 21 HN GLU 21 17.519 1.203 -0.656 159 HA GLU 21 HA GLU 21 17.234 3.377 1.178 160 HB2 GLU 21 2HB GLU 21 16.307 3.038 -1.676 161 HB3 GLU 21 1HB GLU 21 16.143 4.530 -0.759 162 HG2 GLU 21 2HG GLU 21 18.606 4.544 -0.457 163 HG3 GLU 21 1HG GLU 21 18.699 3.154 -1.538 164 H GLU 22 HN GLU 22 15.194 4.560 1.479 165 HA GLU 22 HA GLU 22 13.213 2.766 2.513 166 HB2 GLU 22 2HB GLU 22 13.902 4.825 3.706 167 HB3 GLU 22 1HB GLU 22 13.213 5.791 2.407 168 HG2 GLU 22 2HG GLU 22 11.001 4.879 2.914 169 HG3 GLU 22 1HG GLU 22 11.699 3.928 4.225 170 H GLY 23 HN GLY 23 12.192 1.756 0.836 171 HA2 GLY 23 2HA GLY 23 10.697 3.501 -1.012 172 HA3 GLY 23 1HA GLY 23 11.241 1.879 -1.415 173 H CYS 24 HN CYS 24 9.103 3.680 0.737 174 HA CYS 24 HA CYS 24 7.448 1.342 1.203 175 HB2 CYS 24 2HB CYS 24 7.100 4.233 2.043 176 HB3 CYS 24 1HB CYS 24 6.083 2.895 2.570 177 HG CYS 24 HG CYS 24 8.879 3.987 3.872 178 H GLY 25 HN GLY 25 4.871 2.494 1.132 179 HA2 GLY 25 2HA GLY 25 4.367 3.952 -1.227 180 HA3 GLY 25 1HA GLY 25 4.207 2.238 -1.573 181 H PHE 26 HN PHE 26 2.021 3.303 -2.081 182 HA PHE 26 HA PHE 26 0.322 3.207 0.325 183 HB2 PHE 26 2HB PHE 26 -0.011 4.866 -2.184 184 HB3 PHE 26 1HB PHE 26 -1.230 4.724 -0.923 185 HD1 PHE 26 2HD PHE 26 2.149 5.980 -1.697 186 HD2 PHE 26 1HD PHE 26 -1.067 5.959 1.084 187 HE1 PHE 26 2HE PHE 26 3.190 7.853 -0.489 188 HE2 PHE 26 1HE PHE 26 -0.035 7.832 2.300 189 HZ PHE 26 HZ PHE 26 2.101 8.782 1.514 190 H LEU 27 HN LEU 27 -1.784 2.325 0.052 191 HA LEU 27 HA LEU 27 -1.853 0.183 -1.935 192 HB2 LEU 27 2HB LEU 27 -3.642 0.710 0.444 193 HB3 LEU 27 1HB LEU 27 -3.700 -0.710 -0.581 194 HG LEU 27 HG LEU 27 -1.335 0.047 1.136 195 HD11 LEU 27 1HD1 LEU 27 -3.499 -1.997 1.625 196 HD12 LEU 27 2HD1 LEU 27 -3.288 -0.486 2.507 197 HD13 LEU 27 3HD1 LEU 27 -2.063 -1.750 2.618 198 HD21 LEU 27 3HD2 LEU 27 -0.763 -1.309 -0.808 199 HD22 LEU 27 1HD2 LEU 27 -2.004 -2.482 -0.366 200 HD23 LEU 27 2HD2 LEU 27 -0.605 -2.242 0.681 201 H LEU 28 HN LEU 28 -2.960 0.480 -3.755 202 HA LEU 28 HA LEU 28 -5.068 2.528 -3.801 203 HB2 LEU 28 2HB LEU 28 -3.644 1.254 -6.138 204 HB3 LEU 28 1HB LEU 28 -4.742 2.618 -6.201 205 HG LEU 28 HG LEU 28 -2.000 2.594 -4.933 206 HD11 LEU 28 1HD1 LEU 28 -3.035 4.008 -7.384 207 HD12 LEU 28 2HD1 LEU 28 -1.976 2.599 -7.378 208 HD13 LEU 28 3HD1 LEU 28 -1.406 4.132 -6.718 209 HD21 LEU 28 3HD2 LEU 28 -3.479 4.038 -3.671 210 HD22 LEU 28 1HD2 LEU 28 -4.030 4.812 -5.156 211 HD23 LEU 28 2HD2 LEU 28 -2.361 5.012 -4.625 212 H GLY 29 HN GLY 29 -7.146 1.980 -4.280 213 HA2 GLY 29 2HA GLY 29 -7.919 -0.345 -5.665 214 HA3 GLY 29 1HA GLY 29 -7.957 -0.678 -3.942 215 H THR 30 HN THR 30 -10.194 -0.985 -4.075 216 HA THR 30 HA THR 30 -11.693 1.530 -4.007 217 HB THR 30 HB THR 30 -13.639 0.062 -5.013 218 HG1 THR 30 1HG THR 30 -11.452 -1.067 -6.413 219 HG21 THR 30 3HG2 THR 30 -11.439 1.233 -6.717 220 HG22 THR 30 1HG2 THR 30 -12.799 2.117 -6.022 221 HG23 THR 30 2HG2 THR 30 -13.082 0.888 -7.256 222 H VAL 31 HN VAL 31 -13.670 1.395 -2.772 223 HA VAL 31 HA VAL 31 -13.414 -0.498 -0.570 224 HB VAL 31 HB VAL 31 -15.418 1.735 -0.853 225 HG11 VAL 31 1HG1 VAL 31 -15.542 1.586 1.593 226 HG12 VAL 31 2HG1 VAL 31 -14.414 0.231 1.555 227 HG13 VAL 31 3HG1 VAL 31 -16.006 0.071 0.815 228 HG21 VAL 31 3HG2 VAL 31 -13.178 2.668 -1.008 229 HG22 VAL 31 1HG2 VAL 31 -12.699 1.795 0.446 230 HG23 VAL 31 2HG2 VAL 31 -13.904 3.079 0.547 231 H THR 32 HN THR 32 -14.283 -2.392 -0.923 232 HA THR 32 HA THR 32 -16.405 -2.847 -2.785 233 HB THR 32 HB THR 32 -16.265 -5.219 -1.817 234 HG1 THR 32 1HG THR 32 -14.981 -4.072 0.078 235 HG21 THR 32 3HG2 THR 32 -14.165 -5.687 -3.000 236 HG22 THR 32 1HG2 THR 32 -13.789 -3.965 -3.011 237 HG23 THR 32 2HG2 THR 32 -15.181 -4.569 -3.912 238 H ASP 33 HN ASP 33 -18.513 -2.913 -2.427 239 HA ASP 33 HA ASP 33 -20.555 -2.954 -1.412 240 HB2 ASP 33 2HB ASP 33 -19.620 -4.984 -0.279 241 HB3 ASP 33 1HB ASP 33 -19.127 -3.962 1.056 242 H ASP 34 HN ASP 34 -18.123 -1.025 -0.725 243 HA ASP 34 HA ASP 34 -17.806 0.998 0.261 244 HB2 ASP 34 2HB ASP 34 -20.139 1.371 -0.698 245 HB3 ASP 34 1HB ASP 34 -20.758 1.024 0.912 246 H GLY 35 HN GLY 35 -17.614 -1.489 1.642 247 HA2 GLY 35 2HA GLY 35 -17.856 -0.499 4.407 248 HA3 GLY 35 1HA GLY 35 -18.347 -2.134 3.997 249 H ASP 36 HN ASP 36 -16.344 -3.037 2.394 250 HA ASP 36 HA ASP 36 -14.025 -2.967 4.214 251 HB2 ASP 36 2HB ASP 36 -15.265 -5.167 3.793 252 HB3 ASP 36 1HB ASP 36 -14.603 -5.114 2.167 253 H ASN 37 HN ASN 37 -11.896 -3.346 3.083 254 HA ASN 37 HA ASN 37 -11.824 -1.541 0.753 255 HB2 ASN 37 2HB ASN 37 -9.827 -1.942 2.985 256 HB3 ASN 37 1HB ASN 37 -9.464 -1.033 1.525 257 HD21 ASN 37 1HD2 ASN 37 -9.096 0.835 2.739 258 HD22 ASN 37 2HD2 ASN 37 -10.393 1.745 3.427 259 H ARG 38 HN ARG 38 -11.263 -2.476 -1.105 260 HA ARG 38 HA ARG 38 -9.615 -4.903 -1.020 261 HB2 ARG 38 2HB ARG 38 -11.627 -5.174 -2.344 262 HB3 ARG 38 1HB ARG 38 -11.265 -3.715 -3.261 263 HG2 ARG 38 2HG ARG 38 -9.148 -4.862 -4.017 264 HG3 ARG 38 1HG ARG 38 -9.800 -6.336 -3.310 265 HD2 ARG 38 2HD ARG 38 -11.566 -6.425 -4.853 266 HD3 ARG 38 1HD ARG 38 -11.332 -4.745 -5.345 267 HE ARG 38 HE ARG 38 -8.985 -6.186 -5.890 268 HH11 ARG 38 1HH1 ARG 38 -12.300 -6.074 -7.016 269 HH12 ARG 38 2HH1 ARG 38 -11.874 -6.425 -8.664 270 HH21 ARG 38 1HH2 ARG 38 -8.443 -6.677 -8.065 271 HH22 ARG 38 2HH2 ARG 38 -9.702 -6.780 -9.255 272 H VAL 39 HN VAL 39 -7.523 -4.744 -1.411 273 HA VAL 39 HA VAL 39 -6.450 -2.380 -2.746 274 HB VAL 39 HB VAL 39 -4.978 -4.788 -1.643 275 HG11 VAL 39 1HG1 VAL 39 -3.964 -2.070 -2.485 276 HG12 VAL 39 2HG1 VAL 39 -3.707 -3.586 -3.347 277 HG13 VAL 39 3HG1 VAL 39 -2.995 -3.347 -1.751 278 HG21 VAL 39 3HG2 VAL 39 -6.178 -3.605 0.122 279 HG22 VAL 39 1HG2 VAL 39 -5.458 -2.078 -0.394 280 HG23 VAL 39 2HG2 VAL 39 -4.440 -3.355 0.274 281 H ALA 40 HN ALA 40 -6.071 -2.325 -4.868 282 HA ALA 40 HA ALA 40 -5.970 -4.892 -6.320 283 HB1 ALA 40 1HB ALA 40 -7.062 -2.255 -7.297 284 HB2 ALA 40 2HB ALA 40 -8.018 -3.648 -6.788 285 HB3 ALA 40 3HB ALA 40 -6.994 -3.756 -8.219 286 H ALA 41 HN ALA 41 -4.558 -1.714 -5.916 287 HA ALA 41 HA ALA 41 -2.359 -2.527 -7.687 288 HB1 ALA 41 1HB ALA 41 -3.798 -1.036 -8.971 289 HB2 ALA 41 2HB ALA 41 -2.246 -0.271 -8.632 290 HB3 ALA 41 3HB ALA 41 -3.676 0.187 -7.706 291 H LEU 42 HN LEU 42 -0.367 -1.316 -7.315 292 HA LEU 42 HA LEU 42 -0.190 -0.201 -4.596 293 HB2 LEU 42 2HB LEU 42 1.833 -1.978 -5.971 294 HB3 LEU 42 1HB LEU 42 2.038 -1.234 -4.398 295 HG LEU 42 HG LEU 42 -0.038 -3.314 -5.081 296 HD11 LEU 42 1HD1 LEU 42 1.332 -4.778 -3.649 297 HD12 LEU 42 2HD1 LEU 42 2.546 -3.503 -3.536 298 HD13 LEU 42 3HD1 LEU 42 2.194 -4.251 -5.094 299 HD21 LEU 42 3HD2 LEU 42 0.719 -2.073 -2.438 300 HD22 LEU 42 1HD2 LEU 42 -0.446 -3.375 -2.678 301 HD23 LEU 42 2HD2 LEU 42 -0.772 -1.770 -3.332 302 H HIS 43 HN HIS 43 0.962 1.671 -4.405 303 HA HIS 43 HA HIS 43 2.499 2.524 -6.776 304 HB2 HIS 43 2HB HIS 43 0.487 3.935 -6.394 305 HB3 HIS 43 1HB HIS 43 1.100 4.338 -4.793 306 HD1 HIS 43 1HD HIS 43 1.623 5.054 -8.423 307 HD2 HIS 43 2HD HIS 43 3.220 6.186 -4.757 308 HE1 HIS 43 1HE HIS 43 3.067 7.050 -8.908 309 HE2 HIS 43 2HE HIS 43 4.160 7.604 -6.705 310 H ARG 44 HN ARG 44 4.582 2.853 -6.477 311 HA ARG 44 HA ARG 44 5.683 2.448 -3.822 312 HB2 ARG 44 2HB ARG 44 7.326 3.042 -6.267 313 HB3 ARG 44 1HB ARG 44 7.730 2.038 -4.881 314 HG2 ARG 44 2HG ARG 44 6.038 0.391 -5.637 315 HG3 ARG 44 1HG ARG 44 5.779 1.374 -7.078 316 HD2 ARG 44 2HD ARG 44 8.403 1.132 -7.279 317 HD3 ARG 44 1HD ARG 44 8.108 -0.310 -6.310 318 HE ARG 44 HE ARG 44 7.145 0.193 -9.038 319 HH11 ARG 44 1HH1 ARG 44 7.418 -1.996 -6.314 320 HH12 ARG 44 2HH1 ARG 44 6.989 -3.397 -7.241 321 HH21 ARG 44 1HH2 ARG 44 6.587 -1.656 -10.244 322 HH22 ARG 44 2HH2 ARG 44 6.533 -3.214 -9.470 323 H ALA 45 HN ALA 45 6.701 3.967 -2.587 324 HA ALA 45 HA ALA 45 6.330 6.745 -3.322 325 HB1 ALA 45 1HB ALA 45 7.069 7.238 -1.067 326 HB2 ALA 45 2HB ALA 45 7.561 5.561 -0.836 327 HB3 ALA 45 3HB ALA 45 5.856 5.960 -1.040 328 H THR 46 HN THR 46 7.815 7.971 -4.257 329 HA THR 46 HA THR 46 10.583 7.839 -3.768 330 HB THR 46 HB THR 46 10.488 5.805 -5.080 331 HG1 THR 46 1HG THR 46 12.305 7.121 -5.468 332 HG21 THR 46 3HG2 THR 46 8.425 6.184 -6.307 333 HG22 THR 46 1HG2 THR 46 9.737 5.813 -7.427 334 HG23 THR 46 2HG2 THR 46 9.191 7.478 -7.227 335 H ASN 47 HN ASN 47 11.690 9.542 -4.820 336 HA ASN 47 HA ASN 47 9.910 11.697 -5.584 337 HB2 ASN 47 2HB ASN 47 11.764 13.171 -5.260 338 HB3 ASN 47 1HB ASN 47 11.799 12.004 -3.945 339 HD21 ASN 47 1HD2 ASN 47 13.425 13.254 -6.697 340 HD22 ASN 47 2HD2 ASN 47 14.881 12.332 -6.538 341 H ARG 48 HN ARG 48 9.719 12.587 -7.544 342 HA ARG 48 HA ARG 48 11.613 12.164 -9.662 343 HB2 ARG 48 2HB ARG 48 9.148 10.523 -9.479 344 HB3 ARG 48 1HB ARG 48 9.484 11.233 -11.051 345 HG2 ARG 48 2HG ARG 48 11.558 10.095 -11.219 346 HG3 ARG 48 1HG ARG 48 11.489 9.585 -9.532 347 HD2 ARG 48 2HD ARG 48 9.669 8.115 -9.967 348 HD3 ARG 48 1HD ARG 48 9.449 8.771 -11.586 349 HE ARG 48 HE ARG 48 11.503 7.691 -12.242 350 HH11 ARG 48 1HH1 ARG 48 10.309 6.770 -9.086 351 HH12 ARG 48 2HH1 ARG 48 11.063 5.205 -9.108 352 HH21 ARG 48 1HH2 ARG 48 12.462 5.612 -12.306 353 HH22 ARG 48 2HH2 ARG 48 12.258 4.530 -10.955 354 H ARG 49 HN ARG 49 11.631 14.027 -10.749 355 HA ARG 49 HA ARG 49 9.454 15.899 -10.609 356 HB2 ARG 49 2HB ARG 49 11.976 15.873 -12.284 357 HB3 ARG 49 1HB ARG 49 10.840 17.211 -12.237 358 HG2 ARG 49 2HG ARG 49 11.293 17.553 -9.876 359 HG3 ARG 49 1HG ARG 49 12.380 16.161 -9.871 360 HD2 ARG 49 2HD ARG 49 13.866 17.272 -11.427 361 HD3 ARG 49 1HD ARG 49 12.754 18.633 -11.561 362 HE ARG 49 HE ARG 49 13.281 18.618 -8.927 363 HH11 ARG 49 1HH1 ARG 49 15.426 18.351 -11.695 364 HH12 ARG 49 2HH1 ARG 49 16.720 19.227 -10.937 365 HH21 ARG 49 1HH2 ARG 49 15.018 19.755 -7.921 366 HH22 ARG 49 2HH2 ARG 49 16.498 19.994 -8.800 367 H SER 50 HN SER 50 7.617 15.169 -11.559 368 HA SER 50 HA SER 50 7.874 13.869 -14.180 369 HB2 SER 50 2HB SER 50 5.807 13.382 -12.030 370 HB3 SER 50 1HB SER 50 6.012 12.474 -13.521 371 HG SER 50 HG SER 50 7.861 12.657 -11.379 372 H GLU 51 HN GLU 51 7.457 16.747 -13.884 373 HA GLU 51 HA GLU 51 4.713 17.278 -14.486 374 HB2 GLU 51 2HB GLU 51 7.010 18.974 -15.454 375 HB3 GLU 51 1HB GLU 51 5.367 19.475 -15.081 376 HG2 GLU 51 2HG GLU 51 6.314 20.234 -13.204 377 HG3 GLU 51 1HG GLU 51 6.141 18.559 -12.674 378 H GLN 52 HN GLN 52 4.003 15.888 -16.035 379 HA GLN 52 HA GLN 52 5.276 16.101 -18.682 380 HB2 GLN 52 2HB GLN 52 5.695 13.941 -17.389 381 HB3 GLN 52 1HB GLN 52 3.985 13.600 -17.588 382 HG2 GLN 52 2HG GLN 52 4.207 13.456 -19.948 383 HG3 GLN 52 1HG GLN 52 5.855 14.081 -19.891 384 HE21 GLN 52 1HE2 GLN 52 3.812 11.326 -19.287 385 HE22 GLN 52 2HE2 GLN 52 5.085 10.165 -19.128 386 H ARG 53 HN ARG 53 2.781 17.187 -17.157 387 HA ARG 53 HA ARG 53 1.028 16.970 -19.481 388 HB2 ARG 53 2HB ARG 53 0.376 15.384 -17.486 389 HB3 ARG 53 1HB ARG 53 -0.222 16.868 -16.756 390 HG2 ARG 53 2HG ARG 53 -1.645 17.240 -18.726 391 HG3 ARG 53 1HG ARG 53 -1.077 15.715 -19.403 392 HD2 ARG 53 2HD ARG 53 -1.916 14.646 -17.237 393 HD3 ARG 53 1HD ARG 53 -2.766 16.167 -16.963 394 HE ARG 53 HE ARG 53 -3.197 14.650 -19.446 395 HH11 ARG 53 1HH1 ARG 53 -4.458 16.111 -16.528 396 HH12 ARG 53 2HH1 ARG 53 -6.117 15.772 -16.915 397 HH21 ARG 53 1HH2 ARG 53 -5.358 14.215 -19.979 398 HH22 ARG 53 2HH2 ARG 53 -6.634 14.711 -18.902 399 H THR 54 HN THR 54 -0.164 18.839 -19.874 400 HA THR 54 HA THR 54 0.972 21.216 -18.816 401 HB THR 54 HB THR 54 -0.993 22.201 -20.265 402 HG1 THR 54 1HG THR 54 -1.180 20.389 -22.020 403 HG21 THR 54 3HG2 THR 54 1.325 20.697 -21.476 404 HG22 THR 54 1HG2 THR 54 1.384 22.339 -20.831 405 HG23 THR 54 2HG2 THR 54 0.411 21.985 -22.259 406 H ARG 55 HN ARG 55 0.435 22.134 -16.986 407 HA ARG 55 HA ARG 55 -0.724 23.039 -15.279 408 HB2 ARG 55 2HB ARG 55 -3.026 22.624 -17.166 409 HB3 ARG 55 1HB ARG 55 -3.245 23.312 -15.560 410 HG2 ARG 55 2HG ARG 55 -1.638 25.089 -16.138 411 HG3 ARG 55 1HG ARG 55 -1.527 24.420 -17.768 412 HD2 ARG 55 2HD ARG 55 -3.842 24.873 -18.174 413 HD3 ARG 55 1HD ARG 55 -4.093 25.353 -16.496 414 HE ARG 55 HE ARG 55 -2.197 27.076 -17.298 415 HH11 ARG 55 1HH1 ARG 55 -5.263 26.129 -18.724 416 HH12 ARG 55 2HH1 ARG 55 -5.517 27.675 -19.481 417 HH21 ARG 55 1HH2 ARG 55 -2.543 29.094 -18.300 418 HH22 ARG 55 2HH2 ARG 55 -3.982 29.355 -19.240 419 H ARG 56 HN ARG 56 -2.839 22.559 -13.848 420 HA ARG 56 HA ARG 56 -3.880 21.168 -12.373 421 HB2 ARG 56 2HB ARG 56 -4.402 19.793 -14.437 422 HB3 ARG 56 1HB ARG 56 -2.964 18.849 -14.090 423 HG2 ARG 56 2HG ARG 56 -4.605 17.541 -13.180 424 HG3 ARG 56 1HG ARG 56 -4.097 18.480 -11.777 425 HD2 ARG 56 2HD ARG 56 -6.370 19.366 -13.521 426 HD3 ARG 56 1HD ARG 56 -6.612 18.202 -12.223 427 HE ARG 56 HE ARG 56 -5.311 20.674 -11.441 428 HH11 ARG 56 1HH1 ARG 56 -8.340 18.964 -11.841 429 HH12 ARG 56 2HH1 ARG 56 -9.193 19.919 -10.662 430 HH21 ARG 56 1HH2 ARG 56 -6.431 21.948 -9.891 431 HH22 ARG 56 2HH2 ARG 56 -8.109 21.630 -9.566 432 H TYR 57 HN TYR 57 -0.982 21.906 -12.422 433 HA TYR 57 HA TYR 57 0.067 19.773 -10.675 434 HB2 TYR 57 2HB TYR 57 2.309 20.272 -11.481 435 HB3 TYR 57 1HB TYR 57 1.265 19.892 -12.846 436 HD1 TYR 57 1HD TYR 57 0.605 21.642 -14.424 437 HD2 TYR 57 2HD TYR 57 3.216 22.499 -11.183 438 HE1 TYR 57 1HE TYR 57 1.221 23.768 -15.490 439 HE2 TYR 57 2HE TYR 57 3.844 24.626 -12.243 440 HH TYR 57 HH TYR 57 3.851 25.700 -14.393 441 H GLU 58 HN GLU 58 1.415 20.413 -8.943 442 HA GLU 58 HA GLU 58 1.423 23.295 -8.315 443 HB2 GLU 58 2HB GLU 58 1.094 20.932 -6.462 444 HB3 GLU 58 1HB GLU 58 1.557 22.525 -5.884 445 HG2 GLU 58 2HG GLU 58 -0.977 21.905 -7.380 446 HG3 GLU 58 1HG GLU 58 -0.838 22.047 -5.627 447 H LEU 59 HN LEU 59 2.991 20.624 -6.639 448 HA LEU 59 HA LEU 59 5.556 21.310 -7.883 449 HB2 LEU 59 2HB LEU 59 4.993 22.205 -5.391 450 HB3 LEU 59 1HB LEU 59 5.608 20.613 -4.997 451 HG LEU 59 HG LEU 59 7.341 22.363 -4.853 452 HD11 LEU 59 1HD1 LEU 59 9.060 21.239 -6.176 453 HD12 LEU 59 2HD1 LEU 59 7.806 20.372 -7.063 454 HD13 LEU 59 3HD1 LEU 59 8.023 20.085 -5.337 455 HD21 LEU 59 3HD2 LEU 59 8.189 23.411 -6.888 456 HD22 LEU 59 1HD2 LEU 59 6.508 23.854 -6.583 457 HD23 LEU 59 2HD2 LEU 59 6.895 22.655 -7.818 458 H THR 60 HN THR 60 6.749 19.543 -8.379 459 HA THR 60 HA THR 60 5.374 17.000 -8.166 460 HB THR 60 HB THR 60 6.217 17.741 -10.341 461 HG1 THR 60 1HG THR 60 7.499 15.432 -9.259 462 HG21 THR 60 3HG2 THR 60 8.159 19.011 -9.594 463 HG22 THR 60 1HG2 THR 60 8.619 17.817 -10.807 464 HG23 THR 60 2HG2 THR 60 8.960 17.518 -9.102 465 H ALA 61 HN ALA 61 6.558 17.996 -5.721 466 HA ALA 61 HA ALA 61 8.726 16.038 -5.315 467 HB1 ALA 61 1HB ALA 61 9.574 17.467 -3.545 468 HB2 ALA 61 2HB ALA 61 8.259 18.611 -3.819 469 HB3 ALA 61 3HB ALA 61 9.475 18.348 -5.069 470 H ASP 62 HN ASP 62 5.528 16.541 -4.677 471 HA ASP 62 HA ASP 62 5.576 15.555 -1.937 472 HB2 ASP 62 2HB ASP 62 3.952 17.325 -2.608 473 HB3 ASP 62 1HB ASP 62 3.179 16.163 -3.683 474 H ASP 63 HN ASP 63 5.402 13.496 -1.410 475 HA ASP 63 HA ASP 63 5.452 11.539 -3.505 476 HB2 ASP 63 2HB ASP 63 5.462 11.171 -0.503 477 HB3 ASP 63 1HB ASP 63 5.803 9.913 -1.686 478 H TYR 64 HN TYR 64 3.098 12.538 -1.072 479 HA TYR 64 HA TYR 64 1.403 10.276 -1.431 480 HB2 TYR 64 2HB TYR 64 1.151 11.490 0.629 481 HB3 TYR 64 1HB TYR 64 0.825 12.996 -0.233 482 HD1 TYR 64 2HD TYR 64 -0.525 9.581 0.370 483 HD2 TYR 64 1HD TYR 64 -1.373 13.573 -0.852 484 HE1 TYR 64 2HE TYR 64 -2.924 9.045 0.308 485 HE2 TYR 64 1HE TYR 64 -3.774 13.046 -0.922 486 HH TYR 64 HH TYR 64 -5.187 10.958 -1.235 487 H ARG 65 HN ARG 65 1.378 13.584 -2.718 488 HA ARG 65 HA ARG 65 -1.056 13.442 -4.055 489 HB2 ARG 65 2HB ARG 65 1.429 14.974 -4.803 490 HB3 ARG 65 1HB ARG 65 -0.164 15.253 -5.472 491 HG2 ARG 65 2HG ARG 65 -0.952 15.695 -3.117 492 HG3 ARG 65 1HG ARG 65 0.748 15.681 -2.646 493 HD2 ARG 65 2HD ARG 65 0.325 17.934 -2.992 494 HD3 ARG 65 1HD ARG 65 1.039 17.428 -4.525 495 HE ARG 65 HE ARG 65 -1.886 17.590 -4.160 496 HH11 ARG 65 1HH1 ARG 65 1.021 18.493 -5.877 497 HH12 ARG 65 2HH1 ARG 65 0.165 19.256 -7.176 498 HH21 ARG 65 1HH2 ARG 65 -3.013 18.608 -5.818 499 HH22 ARG 65 2HH2 ARG 65 -2.151 19.325 -7.154 500 H ALA 66 HN ALA 66 2.163 12.486 -5.118 501 HA ALA 66 HA ALA 66 1.459 11.760 -7.745 502 HB1 ALA 66 1HB ALA 66 3.783 12.076 -7.028 503 HB2 ALA 66 2HB ALA 66 3.545 10.500 -7.780 504 HB3 ALA 66 3HB ALA 66 3.666 10.629 -6.026 505 H ALA 67 HN ALA 67 1.342 9.993 -4.710 506 HA ALA 67 HA ALA 67 0.631 7.483 -5.845 507 HB1 ALA 67 1HB ALA 67 0.112 8.552 -3.071 508 HB2 ALA 67 2HB ALA 67 1.552 7.674 -3.586 509 HB3 ALA 67 3HB ALA 67 -0.017 6.866 -3.568 510 H ASP 68 HN ASP 68 -1.177 10.230 -4.605 511 HA ASP 68 HA ASP 68 -3.754 9.060 -4.814 512 HB2 ASP 68 2HB ASP 68 -3.123 11.062 -3.416 513 HB3 ASP 68 1HB ASP 68 -3.054 12.001 -4.902 514 H ALA 69 HN ALA 69 -1.772 11.020 -6.959 515 HA ALA 69 HA ALA 69 -3.650 11.408 -9.012 516 HB1 ALA 69 1HB ALA 69 -0.654 11.165 -9.249 517 HB2 ALA 69 2HB ALA 69 -1.538 12.643 -8.867 518 HB3 ALA 69 3HB ALA 69 -1.740 11.878 -10.443 519 H ALA 70 HN ALA 70 -1.324 8.811 -8.433 520 HA ALA 70 HA ALA 70 -1.781 7.352 -10.806 521 HB1 ALA 70 1HB ALA 70 0.166 6.997 -9.345 522 HB2 ALA 70 2HB ALA 70 -0.700 5.496 -9.671 523 HB3 ALA 70 3HB ALA 70 -0.891 6.306 -8.115 524 H ALA 71 HN ALA 71 -3.415 7.396 -7.700 525 HA ALA 71 HA ALA 71 -5.097 5.168 -8.140 526 HB1 ALA 71 1HB ALA 71 -6.484 6.086 -6.376 527 HB2 ALA 71 2HB ALA 71 -5.684 7.651 -6.523 528 HB3 ALA 71 3HB ALA 71 -4.785 6.252 -5.937 529 H GLN 72 HN GLN 72 -5.556 8.652 -8.712 530 HA GLN 72 HA GLN 72 -8.099 8.481 -9.876 531 HB2 GLN 72 2HB GLN 72 -5.874 10.491 -10.233 532 HB3 GLN 72 1HB GLN 72 -7.470 10.690 -10.945 533 HG2 GLN 72 2HG GLN 72 -6.934 10.391 -7.998 534 HG3 GLN 72 1HG GLN 72 -7.168 11.928 -8.831 535 HE21 GLN 72 1HE2 GLN 72 -8.728 10.698 -6.678 536 HE22 GLN 72 2HE2 GLN 72 -10.350 10.579 -7.282 537 H GLU 73 HN GLU 73 -4.873 8.177 -11.289 538 HA GLU 73 HA GLU 73 -5.476 8.050 -13.981 539 HB2 GLU 73 2HB GLU 73 -3.465 6.545 -12.323 540 HB3 GLU 73 1HB GLU 73 -3.536 6.397 -14.062 541 HG2 GLU 73 2HG GLU 73 -3.191 8.870 -14.202 542 HG3 GLU 73 1HG GLU 73 -2.891 8.848 -12.461 543 H GLN 74 HN GLN 74 -5.694 5.559 -11.529 544 HA GLN 74 HA GLN 74 -6.595 3.582 -13.473 545 HB2 GLN 74 2HB GLN 74 -5.676 3.478 -10.619 546 HB3 GLN 74 1HB GLN 74 -6.412 2.088 -11.391 547 HG2 GLN 74 2HG GLN 74 -4.669 1.955 -13.002 548 HG3 GLN 74 1HG GLN 74 -4.016 3.515 -12.507 549 HE21 GLN 74 1HE2 GLN 74 -4.303 3.012 -9.688 550 HE22 GLN 74 2HE2 GLN 74 -3.091 1.868 -9.260 551 H GLY 75 HN GLY 75 -8.103 5.912 -11.783 552 HA2 GLY 75 2HA GLY 75 -10.311 6.255 -11.215 553 HA3 GLY 75 1HA GLY 75 -10.677 4.704 -11.958 554 H LEU 76 HN LEU 76 -8.342 5.022 -9.414 555 HA LEU 76 HA LEU 76 -10.157 3.593 -7.577 556 HB2 LEU 76 2HB LEU 76 -7.144 3.420 -7.755 557 HB3 LEU 76 1HB LEU 76 -8.160 2.540 -6.633 558 HG LEU 76 HG LEU 76 -8.178 2.192 -9.630 559 HD11 LEU 76 1HD1 LEU 76 -7.124 0.035 -9.171 560 HD12 LEU 76 2HD1 LEU 76 -7.045 0.439 -7.456 561 HD13 LEU 76 3HD1 LEU 76 -6.114 1.374 -8.624 562 HD21 LEU 76 3HD2 LEU 76 -9.591 0.660 -7.449 563 HD22 LEU 76 1HD2 LEU 76 -9.574 0.234 -9.161 564 HD23 LEU 76 2HD2 LEU 76 -10.352 1.727 -8.629 565 H ASP 77 HN ASP 77 -8.992 3.803 -5.230 566 HA ASP 77 HA ASP 77 -7.837 6.456 -4.899 567 HB2 ASP 77 2HB ASP 77 -9.267 6.909 -2.909 568 HB3 ASP 77 1HB ASP 77 -10.148 6.913 -4.428 569 H VAL 78 HN VAL 78 -7.166 6.673 -2.450 570 HA VAL 78 HA VAL 78 -5.395 4.416 -2.043 571 HB VAL 78 HB VAL 78 -5.563 6.935 -0.382 572 HG11 VAL 78 1HG1 VAL 78 -3.212 6.414 0.128 573 HG12 VAL 78 2HG1 VAL 78 -3.362 4.919 -0.797 574 HG13 VAL 78 3HG1 VAL 78 -4.318 5.150 0.668 575 HG21 VAL 78 3HG2 VAL 78 -5.240 7.544 -2.726 576 HG22 VAL 78 1HG2 VAL 78 -3.879 6.428 -2.835 577 HG23 VAL 78 2HG2 VAL 78 -3.776 7.844 -1.788 578 H VAL 79 HN VAL 79 -6.197 2.732 -0.990 579 HA VAL 79 HA VAL 79 -8.244 3.139 1.059 580 HB VAL 79 HB VAL 79 -8.585 0.689 0.924 581 HG11 VAL 79 1HG1 VAL 79 -9.592 0.672 -1.313 582 HG12 VAL 79 2HG1 VAL 79 -8.703 2.141 -1.717 583 HG13 VAL 79 3HG1 VAL 79 -9.929 2.173 -0.449 584 HG21 VAL 79 3HG2 VAL 79 -6.347 0.003 0.273 585 HG22 VAL 79 1HG2 VAL 79 -6.521 0.828 -1.276 586 HG23 VAL 79 2HG2 VAL 79 -7.527 -0.573 -0.904 587 H GLY 80 HN GLY 80 -4.947 2.839 0.933 588 HA2 GLY 80 2HA GLY 80 -4.635 2.622 3.708 589 HA3 GLY 80 1HA GLY 80 -4.388 1.026 3.015 590 H VAL 81 HN VAL 81 -2.270 1.627 4.172 591 HA VAL 81 HA VAL 81 -0.408 2.587 2.118 592 HB VAL 81 HB VAL 81 0.017 3.386 4.980 593 HG11 VAL 81 1HG1 VAL 81 1.059 4.492 2.388 594 HG12 VAL 81 2HG1 VAL 81 1.939 3.471 3.526 595 HG13 VAL 81 3HG1 VAL 81 1.453 5.100 3.997 596 HG21 VAL 81 3HG2 VAL 81 -0.877 5.619 4.517 597 HG22 VAL 81 1HG2 VAL 81 -2.129 4.382 4.379 598 HG23 VAL 81 2HG2 VAL 81 -1.408 5.075 2.926 599 H TYR 82 HN TYR 82 1.726 1.730 2.392 600 HA TYR 82 HA TYR 82 2.017 -0.242 4.530 601 HB2 TYR 82 2HB TYR 82 3.077 -1.861 3.015 602 HB3 TYR 82 1HB TYR 82 1.406 -1.555 2.571 603 HD1 TYR 82 2HD TYR 82 4.907 -1.169 1.571 604 HD2 TYR 82 1HD TYR 82 0.861 -0.440 0.475 605 HE1 TYR 82 2HE TYR 82 5.618 -0.732 -0.740 606 HE2 TYR 82 1HE TYR 82 1.561 -0.010 -1.842 607 HH TYR 82 HH TYR 82 3.604 0.707 -3.044 608 H HIS 83 HN HIS 83 4.002 -0.350 5.435 609 HA HIS 83 HA HIS 83 6.164 1.182 4.241 610 HB2 HIS 83 2HB HIS 83 6.562 2.332 6.502 611 HB3 HIS 83 1HB HIS 83 5.280 2.959 5.481 612 HD1 HIS 83 1HD HIS 83 5.937 2.044 8.897 613 HD2 HIS 83 2HD HIS 83 2.621 1.888 6.382 614 HE1 HIS 83 1HE HIS 83 3.940 1.944 10.409 615 HE2 HIS 83 2HE HIS 83 1.962 1.715 8.875 616 H SER 84 HN SER 84 8.118 0.414 4.663 617 HA SER 84 HA SER 84 8.217 -2.004 6.326 618 HB2 SER 84 2HB SER 84 10.024 -1.164 4.043 619 HB3 SER 84 1HB SER 84 10.074 -2.707 4.898 620 HG SER 84 HG SER 84 7.932 -3.079 4.142 621 H HIS 85 HN HIS 85 9.450 -2.021 8.079 622 HA HIS 85 HA HIS 85 11.596 -0.026 8.285 623 HB2 HIS 85 2HB HIS 85 11.166 0.076 10.747 624 HB3 HIS 85 1HB HIS 85 9.866 0.741 9.772 625 HD1 HIS 85 1HD HIS 85 7.639 0.128 10.636 626 HD2 HIS 85 2HD HIS 85 10.470 -2.817 11.461 627 HE1 HIS 85 1HE HIS 85 6.412 -1.668 11.893 628 HE2 HIS 85 2HE HIS 85 8.173 -3.346 12.530 629 HA PRO 86 HA PRO 86 14.132 -3.542 9.226 630 HB2 PRO 86 2HB PRO 86 16.078 -1.765 10.443 631 HB3 PRO 86 1HB PRO 86 16.172 -2.610 8.898 632 HG2 PRO 86 2HG PRO 86 15.935 0.097 9.113 633 HG3 PRO 86 1HG PRO 86 15.345 -0.831 7.726 634 HD2 PRO 86 2HD PRO 86 13.820 0.264 10.057 635 HD3 PRO 86 1HD PRO 86 13.370 0.206 8.339 636 H ASP 87 HN ASP 87 14.983 -4.687 11.018 637 HA ASP 87 HA ASP 87 15.128 -5.432 13.144 638 HB2 ASP 87 2HB ASP 87 16.118 -3.248 13.700 639 HB3 ASP 87 1HB ASP 87 14.508 -2.585 13.960 640 H HIS 88 HN HIS 88 13.833 -6.148 14.875 641 HA HIS 88 HA HIS 88 11.952 -7.017 15.780 642 HB2 HIS 88 2HB HIS 88 10.515 -4.664 14.527 643 HB3 HIS 88 1HB HIS 88 9.839 -5.759 15.727 644 HD1 HIS 88 1HD HIS 88 11.119 -2.519 15.534 645 HD2 HIS 88 2HD HIS 88 11.752 -5.666 18.174 646 HE1 HIS 88 1HE HIS 88 11.977 -1.462 17.647 647 HE2 HIS 88 2HE HIS 88 12.401 -3.385 19.216 648 HA PRO 89 HA PRO 89 10.315 -9.428 12.422 649 HB2 PRO 89 2HB PRO 89 8.513 -10.763 14.234 650 HB3 PRO 89 1HB PRO 89 10.026 -11.365 13.557 651 HG2 PRO 89 2HG PRO 89 9.645 -10.775 16.210 652 HG3 PRO 89 1HG PRO 89 11.223 -10.782 15.406 653 HD2 PRO 89 2HD PRO 89 9.458 -8.471 16.109 654 HD3 PRO 89 1HD PRO 89 11.229 -8.605 16.176 655 H ALA 90 HN ALA 90 9.257 -7.431 11.642 656 HA ALA 90 HA ALA 90 7.480 -6.272 10.846 657 HB1 ALA 90 1HB ALA 90 6.708 -8.448 10.061 658 HB2 ALA 90 2HB ALA 90 5.350 -7.440 10.561 659 HB3 ALA 90 3HB ALA 90 5.920 -8.738 11.612 660 H ARG 91 HN ARG 91 4.736 -6.413 11.875 661 HA ARG 91 HA ARG 91 3.410 -5.440 13.406 662 HB2 ARG 91 2HB ARG 91 5.635 -6.322 15.230 663 HB3 ARG 91 1HB ARG 91 4.183 -5.533 15.809 664 HG2 ARG 91 2HG ARG 91 2.820 -7.335 14.907 665 HG3 ARG 91 1HG ARG 91 4.271 -8.125 14.287 666 HD2 ARG 91 2HD ARG 91 4.006 -7.458 17.193 667 HD3 ARG 91 1HD ARG 91 3.263 -8.914 16.535 668 HE ARG 91 HE ARG 91 5.563 -9.538 15.791 669 HH11 ARG 91 1HH1 ARG 91 5.179 -7.226 18.402 670 HH12 ARG 91 2HH1 ARG 91 6.615 -7.741 19.235 671 HH21 ARG 91 1HH2 ARG 91 7.444 -10.203 16.868 672 HH22 ARG 91 2HH2 ARG 91 7.928 -9.419 18.347 673 HA PRO 92 HA PRO 92 4.574 -1.190 13.541 674 HB2 PRO 92 2HB PRO 92 2.945 -0.334 15.585 675 HB3 PRO 92 1HB PRO 92 2.403 -0.584 13.923 676 HG2 PRO 92 2HG PRO 92 2.138 -2.379 16.296 677 HG3 PRO 92 1HG PRO 92 0.962 -2.032 15.014 678 HD2 PRO 92 2HD PRO 92 2.402 -4.306 15.042 679 HD3 PRO 92 1HD PRO 92 1.966 -3.494 13.524 680 H SER 93 HN SER 93 6.385 -0.419 14.353 681 HA SER 93 HA SER 93 7.309 -1.190 16.990 682 HB2 SER 93 2HB SER 93 8.602 0.628 14.936 683 HB3 SER 93 1HB SER 93 9.379 -0.057 16.366 684 HG SER 93 HG SER 93 8.244 -2.025 14.952 685 H ALA 94 HN ALA 94 8.486 0.891 18.141 686 HA ALA 94 HA ALA 94 6.273 2.162 19.304 687 HB1 ALA 94 1HB ALA 94 9.168 2.960 19.519 688 HB2 ALA 94 2HB ALA 94 8.369 1.728 20.496 689 HB3 ALA 94 3HB ALA 94 7.871 3.416 20.624 690 H THR 95 HN THR 95 8.773 3.522 17.129 691 HA THR 95 HA THR 95 7.442 6.081 17.059 692 HB THR 95 HB THR 95 9.638 5.097 15.224 693 HG1 THR 95 1HG THR 95 11.006 5.343 16.835 694 HG21 THR 95 3HG2 THR 95 8.840 7.868 16.127 695 HG22 THR 95 1HG2 THR 95 8.559 7.179 14.529 696 HG23 THR 95 2HG2 THR 95 10.206 7.483 15.081 697 H ASP 96 HN ASP 96 7.661 3.209 15.123 698 HA ASP 96 HA ASP 96 6.508 4.072 12.725 699 HB2 ASP 96 2HB ASP 96 7.699 1.904 13.137 700 HB3 ASP 96 1HB ASP 96 6.291 1.346 14.024 701 H LEU 97 HN LEU 97 5.074 2.761 15.680 702 HA LEU 97 HA LEU 97 2.367 2.849 14.812 703 HB2 LEU 97 2HB LEU 97 3.434 1.523 16.738 704 HB3 LEU 97 1HB LEU 97 3.332 3.003 17.664 705 HG LEU 97 HG LEU 97 0.890 1.770 16.417 706 HD11 LEU 97 1HD1 LEU 97 1.873 0.038 17.772 707 HD12 LEU 97 2HD1 LEU 97 0.466 0.707 18.600 708 HD13 LEU 97 3HD1 LEU 97 2.090 1.164 19.111 709 HD21 LEU 97 3HD2 LEU 97 1.272 3.578 18.800 710 HD22 LEU 97 1HD2 LEU 97 -0.268 2.970 18.193 711 HD23 LEU 97 2HD2 LEU 97 0.694 4.075 17.210 712 H GLU 98 HN GLU 98 4.459 5.072 16.583 713 HA GLU 98 HA GLU 98 2.530 6.847 17.522 714 HB2 GLU 98 2HB GLU 98 5.450 7.054 16.967 715 HB3 GLU 98 1HB GLU 98 4.551 8.505 17.387 716 HG2 GLU 98 2HG GLU 98 4.569 6.004 19.054 717 HG3 GLU 98 1HG GLU 98 5.664 7.360 19.295 718 H GLU 99 HN GLU 99 4.193 6.793 14.394 719 HA GLU 99 HA GLU 99 2.984 9.358 13.730 720 HB2 GLU 99 2HB GLU 99 5.064 7.688 12.335 721 HB3 GLU 99 1HB GLU 99 4.380 9.150 11.632 722 HG2 GLU 99 2HG GLU 99 5.099 10.342 13.737 723 HG3 GLU 99 1HG GLU 99 6.008 8.890 14.139 724 H ALA 100 HN ALA 100 1.814 6.376 13.686 725 HA ALA 100 HA ALA 100 0.525 6.503 11.088 726 HB1 ALA 100 1HB ALA 100 -0.696 4.500 11.828 727 HB2 ALA 100 2HB ALA 100 0.046 4.647 13.421 728 HB3 ALA 100 3HB ALA 100 1.048 4.308 12.010 729 H THR 101 HN THR 101 -0.328 8.655 11.437 730 HA THR 101 HA THR 101 -2.403 8.858 13.505 731 HB THR 101 HB THR 101 -1.393 11.249 12.044 732 HG1 THR 101 1HG THR 101 0.080 9.734 13.959 733 HG21 THR 101 3HG2 THR 101 -3.141 11.439 13.782 734 HG22 THR 101 1HG2 THR 101 -1.669 12.306 14.219 735 HG23 THR 101 2HG2 THR 101 -2.025 10.745 14.956 736 H PHE 102 HN PHE 102 -2.649 7.752 10.641 737 HA PHE 102 HA PHE 102 -4.787 9.580 9.757 738 HB2 PHE 102 2HB PHE 102 -2.930 7.925 8.041 739 HB3 PHE 102 1HB PHE 102 -4.328 8.806 7.433 740 HD1 PHE 102 2HD PHE 102 -4.366 11.282 7.547 741 HD2 PHE 102 1HD PHE 102 -0.887 9.027 8.510 742 HE1 PHE 102 2HE PHE 102 -2.991 13.308 7.312 743 HE2 PHE 102 1HE PHE 102 0.492 11.050 8.280 744 HZ PHE 102 HZ PHE 102 -0.562 13.195 7.679 745 HA PRO 103 HA PRO 103 -6.914 5.624 10.761 746 HB2 PRO 103 2HB PRO 103 -9.170 7.481 11.134 747 HB3 PRO 103 1HB PRO 103 -8.515 6.273 12.243 748 HG2 PRO 103 2HG PRO 103 -8.178 8.900 12.672 749 HG3 PRO 103 1HG PRO 103 -6.922 7.717 13.086 750 HD2 PRO 103 2HD PRO 103 -7.099 9.537 10.711 751 HD3 PRO 103 1HD PRO 103 -5.692 9.132 11.718 752 H GLY 104 HN GLY 104 -8.643 4.569 9.666 753 HA2 GLY 104 2HA GLY 104 -10.297 4.427 7.960 754 HA3 GLY 104 1HA GLY 104 -9.663 5.915 7.266 755 H PHE 105 HN PHE 105 -6.890 4.968 7.535 756 HA PHE 105 HA PHE 105 -6.817 3.413 5.077 757 HB2 PHE 105 2HB PHE 105 -4.642 4.801 6.655 758 HB3 PHE 105 1HB PHE 105 -4.352 3.880 5.184 759 HD1 PHE 105 1HD PHE 105 -5.174 4.688 3.036 760 HD2 PHE 105 2HD PHE 105 -5.591 6.997 6.581 761 HE1 PHE 105 1HE PHE 105 -5.612 6.688 1.675 762 HE2 PHE 105 2HE PHE 105 -6.028 9.005 5.228 763 HZ PHE 105 HZ PHE 105 -6.039 8.851 2.768 764 H THR 106 HN THR 106 -5.914 1.403 4.880 765 HA THR 106 HA THR 106 -5.502 -0.092 7.350 766 HB THR 106 HB THR 106 -5.403 -1.150 4.519 767 HG1 THR 106 1HG THR 106 -7.471 -0.037 5.589 768 HG21 THR 106 3HG2 THR 106 -4.481 -2.638 6.226 769 HG22 THR 106 1HG2 THR 106 -6.000 -3.277 5.598 770 HG23 THR 106 2HG2 THR 106 -5.961 -2.484 7.174 771 H TYR 107 HN TYR 107 -3.524 -0.808 8.026 772 HA TYR 107 HA TYR 107 -1.246 0.199 6.463 773 HB2 TYR 107 2HB TYR 107 -1.566 -0.248 9.429 774 HB3 TYR 107 1HB TYR 107 -0.021 0.105 8.669 775 HD1 TYR 107 2HD TYR 107 0.129 2.291 7.298 776 HD2 TYR 107 1HD TYR 107 -2.958 1.496 10.122 777 HE1 TYR 107 2HE TYR 107 -0.322 4.703 7.478 778 HE2 TYR 107 1HE TYR 107 -3.412 3.904 10.312 779 HH TYR 107 HH TYR 107 -2.360 6.152 8.140 780 H VAL 108 HN VAL 108 -0.109 -1.269 5.443 781 HA VAL 108 HA VAL 108 0.042 -3.999 6.499 782 HB VAL 108 HB VAL 108 1.122 -2.885 3.893 783 HG11 VAL 108 1HG1 VAL 108 2.371 -4.836 4.641 784 HG12 VAL 108 2HG1 VAL 108 1.374 -5.237 3.244 785 HG13 VAL 108 3HG1 VAL 108 0.867 -5.732 4.858 786 HG21 VAL 108 3HG2 VAL 108 -1.318 -2.827 3.960 787 HG22 VAL 108 1HG2 VAL 108 -1.352 -4.529 4.424 788 HG23 VAL 108 2HG2 VAL 108 -0.745 -4.059 2.836 789 H ILE 109 HN ILE 109 1.659 -4.604 7.701 790 HA ILE 109 HA ILE 109 4.095 -2.948 7.748 791 HB ILE 109 HB ILE 109 3.048 -4.778 9.917 792 HG12 ILE 109 2HG1 ILE 109 1.582 -2.834 9.651 793 HG13 ILE 109 1HG1 ILE 109 2.496 -2.715 11.151 794 HG21 ILE 109 1HG2 ILE 109 5.321 -2.800 9.916 795 HG22 ILE 109 2HG2 ILE 109 5.462 -4.557 9.944 796 HG23 ILE 109 3HG2 ILE 109 4.754 -3.706 11.318 797 HD11 ILE 109 3HD1 ILE 109 2.350 -0.575 10.004 798 HD12 ILE 109 1HD1 ILE 109 3.135 -1.277 8.590 799 HD13 ILE 109 2HD1 ILE 109 4.020 -1.137 10.109 800 H VAL 110 HN VAL 110 5.779 -3.867 6.807 801 HA VAL 110 HA VAL 110 6.151 -6.759 7.107 802 HB VAL 110 HB VAL 110 5.320 -6.510 4.866 803 HG11 VAL 110 1HG1 VAL 110 5.715 -4.140 4.529 804 HG12 VAL 110 2HG1 VAL 110 6.397 -5.073 3.196 805 HG13 VAL 110 3HG1 VAL 110 7.453 -4.422 4.450 806 HG21 VAL 110 3HG2 VAL 110 7.143 -8.095 5.147 807 HG22 VAL 110 1HG2 VAL 110 8.315 -6.823 4.799 808 HG23 VAL 110 2HG2 VAL 110 7.191 -7.352 3.547 809 H SER 111 HN SER 111 8.084 -7.312 7.788 810 HA SER 111 HA SER 111 10.013 -5.193 8.238 811 HB2 SER 111 2HB SER 111 9.378 -6.794 10.054 812 HB3 SER 111 1HB SER 111 10.127 -8.084 9.119 813 HG SER 111 HG SER 111 11.310 -6.520 10.840 814 H VAL 112 HN VAL 112 11.295 -4.776 6.558 815 HA VAL 112 HA VAL 112 12.395 -7.026 5.013 816 HB VAL 112 HB VAL 112 12.433 -4.087 4.283 817 HG11 VAL 112 1HG1 VAL 112 14.229 -5.348 3.274 818 HG12 VAL 112 2HG1 VAL 112 13.034 -4.922 2.048 819 HG13 VAL 112 3HG1 VAL 112 13.090 -6.563 2.694 820 HG21 VAL 112 3HG2 VAL 112 10.658 -4.593 2.696 821 HG22 VAL 112 1HG2 VAL 112 10.143 -4.947 4.344 822 HG23 VAL 112 2HG2 VAL 112 10.607 -6.263 3.265 823 H ARG 113 HN ARG 113 14.386 -7.614 5.533 824 HA ARG 113 HA ARG 113 16.116 -5.656 6.891 825 HB2 ARG 113 2HB ARG 113 15.654 -8.562 7.593 826 HB3 ARG 113 1HB ARG 113 16.835 -7.513 8.361 827 HG2 ARG 113 2HG ARG 113 15.247 -6.280 9.470 828 HG3 ARG 113 1HG ARG 113 13.987 -6.661 8.298 829 HD2 ARG 113 2HD ARG 113 13.486 -7.805 10.331 830 HD3 ARG 113 1HD ARG 113 13.994 -8.995 9.137 831 HE ARG 113 HE ARG 113 16.112 -8.062 10.859 832 HH11 ARG 113 1HH1 ARG 113 13.525 -10.378 10.449 833 HH12 ARG 113 2HH1 ARG 113 14.210 -11.544 11.528 834 HH21 ARG 113 1HH2 ARG 113 17.025 -9.596 12.311 835 HH22 ARG 113 2HH2 ARG 113 16.196 -11.097 12.595 836 H ASP 114 HN ASP 114 17.934 -5.340 5.845 837 HA ASP 114 HA ASP 114 19.854 -5.696 4.673 838 HB2 ASP 114 2HB ASP 114 20.118 -7.711 6.038 839 HB3 ASP 114 1HB ASP 114 19.130 -8.613 4.898 840 H GLY 115 HN GLY 115 16.842 -6.774 3.615 841 HA2 GLY 115 2HA GLY 115 16.513 -5.951 1.193 842 HA3 GLY 115 1HA GLY 115 17.729 -7.177 0.845 843 H ALA 116 HN ALA 116 16.343 -8.552 3.316 844 HA ALA 116 HA ALA 116 14.382 -9.968 1.646 845 HB1 ALA 116 1HB ALA 116 15.857 -10.964 4.083 846 HB2 ALA 116 2HB ALA 116 16.273 -11.329 2.407 847 HB3 ALA 116 3HB ALA 116 14.746 -11.898 3.079 848 HA PRO 117 HA PRO 117 11.307 -8.465 4.577 849 HB2 PRO 117 2HB PRO 117 9.351 -9.635 2.792 850 HB3 PRO 117 1HB PRO 117 9.664 -7.928 3.112 851 HG2 PRO 117 2HG PRO 117 10.190 -9.146 0.722 852 HG3 PRO 117 1HG PRO 117 11.055 -7.714 1.313 853 HD2 PRO 117 2HD PRO 117 11.882 -10.594 1.365 854 HD3 PRO 117 1HD PRO 117 12.853 -9.149 1.009 855 H GLU 118 HN GLU 118 11.149 -9.709 6.347 856 HA GLU 118 HA GLU 118 11.010 -12.582 6.100 857 HB2 GLU 118 2HB GLU 118 12.442 -11.551 7.810 858 HB3 GLU 118 1HB GLU 118 11.023 -10.845 8.571 859 HG2 GLU 118 2HG GLU 118 10.165 -13.048 9.086 860 HG3 GLU 118 1HG GLU 118 11.529 -13.795 8.259 861 H ALA 119 HN ALA 119 9.108 -10.314 8.073 862 HA ALA 119 HA ALA 119 6.847 -12.165 7.796 863 HB1 ALA 119 1HB ALA 119 7.693 -11.932 10.075 864 HB2 ALA 119 2HB ALA 119 6.046 -11.317 9.926 865 HB3 ALA 119 3HB ALA 119 7.401 -10.194 10.004 866 H LEU 120 HN LEU 120 5.097 -11.526 6.804 867 HA LEU 120 HA LEU 120 4.666 -8.658 6.326 868 HB2 LEU 120 2HB LEU 120 3.623 -11.074 4.840 869 HB3 LEU 120 1HB LEU 120 3.084 -9.437 4.534 870 HG LEU 120 HG LEU 120 5.522 -8.897 3.986 871 HD11 LEU 120 1HD1 LEU 120 6.905 -10.763 3.246 872 HD12 LEU 120 2HD1 LEU 120 5.689 -11.903 3.818 873 HD13 LEU 120 3HD1 LEU 120 6.547 -10.879 4.969 874 HD21 LEU 120 3HD2 LEU 120 5.290 -9.723 1.702 875 HD22 LEU 120 1HD2 LEU 120 3.768 -9.065 2.307 876 HD23 LEU 120 2HD2 LEU 120 4.004 -10.811 2.220 877 H THR 121 HN THR 121 2.999 -7.706 7.356 878 HA THR 121 HA THR 121 0.830 -9.394 8.379 879 HB THR 121 HB THR 121 0.935 -8.110 10.555 880 HG1 THR 121 1HG THR 121 3.106 -7.015 9.251 881 HG21 THR 121 3HG2 THR 121 3.316 -9.858 9.929 882 HG22 THR 121 1HG2 THR 121 1.715 -10.431 10.389 883 HG23 THR 121 2HG2 THR 121 2.683 -9.503 11.537 884 H ALA 122 HN ALA 122 -1.159 -8.399 8.329 885 HA ALA 122 HA ALA 122 -1.180 -5.596 7.431 886 HB1 ALA 122 1HB ALA 122 -2.137 -7.162 5.803 887 HB2 ALA 122 2HB ALA 122 -3.367 -6.067 6.435 888 HB3 ALA 122 3HB ALA 122 -3.283 -7.728 7.020 889 H TRP 123 HN TRP 123 -2.286 -4.104 8.564 890 HA TRP 123 HA TRP 123 -3.740 -5.015 10.951 891 HB2 TRP 123 2HB TRP 123 -1.693 -2.790 10.899 892 HB3 TRP 123 1HB TRP 123 -2.608 -3.331 12.301 893 HD1 TRP 123 1HD TRP 123 0.266 -4.434 10.000 894 HE1 TRP 123 1HE TRP 123 1.678 -6.191 11.258 895 HE3 TRP 123 3HE TRP 123 -2.697 -5.051 14.110 896 HZ2 TRP 123 2HZ TRP 123 1.538 -7.643 13.681 897 HZ3 TRP 123 3HZ TRP 123 -2.007 -6.648 15.840 898 HH2 TRP 123 2HH TRP 123 0.069 -7.913 15.636 899 H ALA 124 HN ALA 124 -5.513 -3.847 11.447 900 HA ALA 124 HA ALA 124 -6.014 -1.428 9.861 901 HB1 ALA 124 1HB ALA 124 -7.740 -3.146 9.688 902 HB2 ALA 124 2HB ALA 124 -8.366 -1.703 10.486 903 HB3 ALA 124 3HB ALA 124 -7.948 -3.129 11.439 904 H LEU 125 HN LEU 125 -6.180 0.509 10.838 905 HA LEU 125 HA LEU 125 -5.229 0.670 13.572 906 HB2 LEU 125 2HB LEU 125 -4.254 2.107 11.870 907 HB3 LEU 125 1HB LEU 125 -5.829 2.771 11.485 908 HG LEU 125 HG LEU 125 -5.924 3.755 13.770 909 HD11 LEU 125 1HD1 LEU 125 -4.411 2.237 14.905 910 HD12 LEU 125 2HD1 LEU 125 -3.857 3.904 15.066 911 HD13 LEU 125 3HD1 LEU 125 -3.065 2.820 13.924 912 HD21 LEU 125 3HD2 LEU 125 -5.222 5.089 11.862 913 HD22 LEU 125 1HD2 LEU 125 -3.555 4.553 12.083 914 HD23 LEU 125 2HD2 LEU 125 -4.330 5.553 13.311 915 H ALA 126 HN ALA 126 -6.368 1.376 15.311 916 HA ALA 126 HA ALA 126 -9.204 1.484 15.231 917 HB1 ALA 126 1HB ALA 126 -9.037 2.183 17.568 918 HB2 ALA 126 2HB ALA 126 -7.304 2.448 17.369 919 HB3 ALA 126 3HB ALA 126 -7.969 0.819 17.240 920 HA PRO 127 HA PRO 127 -9.990 5.622 13.808 921 HB2 PRO 127 2HB PRO 127 -11.988 5.676 16.020 922 HB3 PRO 127 1HB PRO 127 -12.196 6.059 14.309 923 HG2 PRO 127 2HG PRO 127 -13.088 3.754 15.295 924 HG3 PRO 127 1HG PRO 127 -12.339 3.823 13.687 925 HD2 PRO 127 2HD PRO 127 -11.227 2.802 16.260 926 HD3 PRO 127 1HD PRO 127 -10.967 2.218 14.604 927 H ASP 128 HN ASP 128 -9.885 5.100 17.322 928 HA ASP 128 HA ASP 128 -9.101 7.857 17.791 929 HB2 ASP 128 2HB ASP 128 -9.381 5.545 19.725 930 HB3 ASP 128 1HB ASP 128 -9.093 7.222 20.176 931 H ARG 129 HN ARG 129 -7.506 5.278 16.668 932 HA ARG 129 HA ARG 129 -5.344 4.620 16.519 933 HB2 ARG 129 2HB ARG 129 -5.052 7.458 17.434 934 HB3 ARG 129 1HB ARG 129 -3.626 6.435 17.302 935 HG2 ARG 129 2HG ARG 129 -3.655 6.458 15.055 936 HG3 ARG 129 1HG ARG 129 -5.416 6.409 14.971 937 HD2 ARG 129 2HD ARG 129 -3.940 8.866 15.860 938 HD3 ARG 129 1HD ARG 129 -4.245 8.528 14.156 939 HE ARG 129 HE ARG 129 -6.698 8.318 15.086 940 HH11 ARG 129 1HH1 ARG 129 -4.267 10.654 16.018 941 HH12 ARG 129 2HH1 ARG 129 -5.404 11.946 16.240 942 HH21 ARG 129 1HH2 ARG 129 -8.212 10.004 15.399 943 HH22 ARG 129 2HH2 ARG 129 -7.656 11.566 15.926 944 H SER 130 HN SER 130 -6.898 4.071 18.908 945 HA SER 130 HA SER 130 -5.320 4.139 21.226 946 HB2 SER 130 2HB SER 130 -7.245 1.912 20.588 947 HB3 SER 130 1HB SER 130 -6.924 2.680 22.143 948 HG SER 130 HG SER 130 -8.777 3.618 21.537 949 H GLU 131 HN GLU 131 -5.646 1.748 18.638 950 HA GLU 131 HA GLU 131 -3.036 0.708 19.102 951 HB2 GLU 131 2HB GLU 131 -3.972 -1.679 19.463 952 HB3 GLU 131 1HB GLU 131 -3.873 -0.594 20.840 953 HG2 GLU 131 2HG GLU 131 -5.943 -1.604 21.065 954 HG3 GLU 131 1HG GLU 131 -6.313 -0.041 20.351 955 H PHE 132 HN PHE 132 -3.003 -1.556 17.847 956 HA PHE 132 HA PHE 132 -4.409 -1.160 15.293 957 HB2 PHE 132 2HB PHE 132 -1.694 -2.337 15.892 958 HB3 PHE 132 1HB PHE 132 -2.542 -2.692 14.393 959 HD1 PHE 132 1HD PHE 132 -0.934 -0.039 16.378 960 HD2 PHE 132 2HD PHE 132 -2.670 -1.106 12.640 961 HE1 PHE 132 1HE PHE 132 -0.013 2.006 15.366 962 HE2 PHE 132 2HE PHE 132 -1.751 0.935 11.627 963 HZ PHE 132 HZ PHE 132 -0.419 2.493 12.990 964 H HIS 133 HN HIS 133 -5.424 -2.961 14.397 965 HA HIS 133 HA HIS 133 -5.492 -5.311 16.150 966 HB2 HIS 133 2HB HIS 133 -7.922 -5.548 15.069 967 HB3 HIS 133 1HB HIS 133 -7.632 -4.683 16.568 968 HD1 HIS 133 1HD HIS 133 -8.967 -4.269 13.172 969 HD2 HIS 133 2HD HIS 133 -7.646 -1.827 16.272 970 HE1 HIS 133 1HE HIS 133 -9.909 -1.990 12.694 971 HE2 HIS 133 2HE HIS 133 -9.296 -0.607 14.702 972 H ARG 134 HN ARG 134 -5.018 -7.132 15.287 973 HA ARG 134 HA ARG 134 -4.000 -7.190 12.628 974 HB2 ARG 134 2HB ARG 134 -2.811 -8.373 14.332 975 HB3 ARG 134 1HB ARG 134 -4.247 -9.274 14.793 976 HG2 ARG 134 2HG ARG 134 -2.854 -10.743 13.573 977 HG3 ARG 134 1HG ARG 134 -4.213 -10.327 12.537 978 HD2 ARG 134 2HD ARG 134 -2.685 -8.519 11.571 979 HD3 ARG 134 1HD ARG 134 -1.371 -9.379 12.374 980 HE ARG 134 HE ARG 134 -3.035 -10.398 10.175 981 HH11 ARG 134 1HH1 ARG 134 -0.278 -10.804 12.320 982 HH12 ARG 134 2HH1 ARG 134 0.449 -12.043 11.334 983 HH21 ARG 134 1HH2 ARG 134 -2.072 -12.050 8.918 984 HH22 ARG 134 2HH2 ARG 134 -0.560 -12.743 9.419 985 H GLU 135 HN GLU 135 -4.777 -8.146 10.859 986 HA GLU 135 HA GLU 135 -7.209 -9.773 11.075 987 HB2 GLU 135 2HB GLU 135 -7.604 -7.389 10.225 988 HB3 GLU 135 1HB GLU 135 -6.712 -7.862 8.791 989 HG2 GLU 135 2HG GLU 135 -8.348 -9.615 8.356 990 HG3 GLU 135 1HG GLU 135 -9.233 -9.153 9.808 991 H ASP 136 HN ASP 136 -7.418 -11.302 9.284 992 HA ASP 136 HA ASP 136 -4.746 -12.183 8.452 993 HB2 ASP 136 2HB ASP 136 -6.432 -13.710 9.690 994 HB3 ASP 136 1HB ASP 136 -7.247 -13.822 8.133 995 H ILE 137 HN ILE 137 -4.700 -13.299 6.240 996 HA ILE 137 HA ILE 137 -5.549 -11.245 4.385 997 HB ILE 137 HB ILE 137 -3.823 -13.688 3.946 998 HG12 ILE 137 2HG1 ILE 137 -2.776 -12.028 5.409 999 HG13 ILE 137 1HG1 ILE 137 -1.968 -12.064 3.841 1000 HG21 ILE 137 1HG2 ILE 137 -4.357 -11.375 2.086 1001 HG22 ILE 137 2HG2 ILE 137 -4.985 -13.011 1.898 1002 HG23 ILE 137 3HG2 ILE 137 -3.251 -12.717 1.793 1003 HD11 ILE 137 3HD1 ILE 137 -3.165 -10.046 3.182 1004 HD12 ILE 137 1HD1 ILE 137 -2.252 -9.789 4.669 1005 HD13 ILE 137 2HD1 ILE 137 -4.000 -10.024 4.736 1006 H VAL 138 HN VAL 138 -7.495 -11.374 3.532 1007 HA VAL 138 HA VAL 138 -8.440 -14.002 2.633 1008 HB VAL 138 HB VAL 138 -10.736 -12.976 2.632 1009 HG11 VAL 138 1HG1 VAL 138 -9.281 -13.204 5.265 1010 HG12 VAL 138 2HG1 VAL 138 -10.095 -14.499 4.386 1011 HG13 VAL 138 3HG1 VAL 138 -11.036 -13.183 5.085 1012 HG21 VAL 138 3HG2 VAL 138 -9.364 -10.808 4.213 1013 HG22 VAL 138 1HG2 VAL 138 -11.109 -11.000 4.037 1014 HG23 VAL 138 2HG2 VAL 138 -10.113 -10.633 2.627 1015 H ARG 139 HN ARG 139 -9.159 -14.228 0.583 1016 HA ARG 139 HA ARG 139 -8.248 -12.244 -1.321 1017 HB2 ARG 139 2HB ARG 139 -9.484 -14.986 -1.672 1018 HB3 ARG 139 1HB ARG 139 -8.832 -13.999 -2.968 1019 HG2 ARG 139 2HG ARG 139 -6.619 -14.163 -2.068 1020 HG3 ARG 139 1HG ARG 139 -7.220 -14.982 -0.627 1021 HD2 ARG 139 2HD ARG 139 -7.404 -16.049 -3.442 1022 HD3 ARG 139 1HD ARG 139 -6.191 -16.528 -2.255 1023 HE ARG 139 HE ARG 139 -8.897 -16.872 -1.337 1024 HH11 ARG 139 1HH1 ARG 139 -6.305 -18.334 -3.174 1025 HH12 ARG 139 2HH1 ARG 139 -6.835 -19.960 -2.880 1026 HH21 ARG 139 1HH2 ARG 139 -9.608 -18.987 -0.939 1027 HH22 ARG 139 2HH2 ARG 139 -8.709 -20.340 -1.578 1028 HA PRO 140 HA PRO 140 -12.208 -10.425 -2.263 1029 HB2 PRO 140 2HB PRO 140 -11.684 -11.127 -5.106 1030 HB3 PRO 140 1HB PRO 140 -12.072 -9.561 -4.386 1031 HG2 PRO 140 2HG PRO 140 -9.593 -10.135 -5.208 1032 HG3 PRO 140 1HG PRO 140 -9.885 -9.162 -3.755 1033 HD2 PRO 140 2HD PRO 140 -9.042 -12.016 -3.987 1034 HD3 PRO 140 1HD PRO 140 -8.585 -10.798 -2.782 1035 H ASP 141 HN ASP 141 -13.920 -11.580 -1.678 1036 HA ASP 141 HA ASP 141 -14.479 -14.221 -2.019 1037 HB2 ASP 141 2HB ASP 141 -16.525 -11.983 -2.042 1038 HB3 ASP 141 1HB ASP 141 -16.843 -13.666 -1.640 1039 HA PRO 142 HA PRO 142 -14.351 -15.722 -5.990 1040 HB2 PRO 142 2HB PRO 142 -17.328 -15.970 -5.720 1041 HB3 PRO 142 1HB PRO 142 -16.169 -17.114 -6.406 1042 HG2 PRO 142 2HG PRO 142 -17.082 -17.168 -3.785 1043 HG3 PRO 142 1HG PRO 142 -15.590 -17.931 -4.360 1044 HD2 PRO 142 2HD PRO 142 -15.804 -15.788 -2.514 1045 HD3 PRO 142 1HD PRO 142 -14.316 -16.398 -3.267 1046 H GLU 143 HN GLU 143 -13.921 -13.314 -6.433 1047 HA GLU 143 HA GLU 143 -14.126 -11.478 -7.748 1048 HB2 GLU 143 2HB GLU 143 -15.284 -13.608 -9.517 1049 HB3 GLU 143 1HB GLU 143 -14.959 -11.970 -10.058 1050 HG2 GLU 143 2HG GLU 143 -12.568 -12.394 -9.203 1051 HG3 GLU 143 1HG GLU 143 -13.029 -14.097 -9.228 1052 H ALA 144 HN ALA 144 -16.258 -11.737 -5.927 1053 HA ALA 144 HA ALA 144 -18.719 -11.081 -7.237 1054 HB1 ALA 144 1HB ALA 144 -17.965 -10.762 -4.333 1055 HB2 ALA 144 2HB ALA 144 -18.679 -12.200 -5.062 1056 HB3 ALA 144 3HB ALA 144 -19.593 -10.696 -5.011 1057 HA PRO 145 HA PRO 145 -17.636 -6.731 -7.485 1058 HB2 PRO 145 2HB PRO 145 -19.313 -6.109 -9.463 1059 HB3 PRO 145 1HB PRO 145 -17.866 -7.077 -9.767 1060 HG2 PRO 145 2HG PRO 145 -20.710 -7.923 -9.590 1061 HG3 PRO 145 1HG PRO 145 -19.402 -8.576 -10.592 1062 HD2 PRO 145 2HD PRO 145 -20.344 -9.622 -8.140 1063 HD3 PRO 145 1HD PRO 145 -18.882 -10.120 -9.013 1064 H LEU 146 HN LEU 146 -19.324 -4.747 -7.837 1065 HA LEU 146 HA LEU 146 -21.106 -4.888 -5.576 1066 HB2 LEU 146 2HB LEU 146 -20.682 -2.667 -7.548 1067 HB3 LEU 146 1HB LEU 146 -21.614 -2.543 -6.084 1068 HG LEU 146 HG LEU 146 -19.410 -3.120 -4.875 1069 HD11 LEU 146 1HD1 LEU 146 -18.134 -3.803 -6.826 1070 HD12 LEU 146 2HD1 LEU 146 -17.382 -2.412 -6.045 1071 HD13 LEU 146 3HD1 LEU 146 -18.316 -2.195 -7.525 1072 HD21 LEU 146 3HD2 LEU 146 -18.756 -0.763 -4.841 1073 HD22 LEU 146 1HD2 LEU 146 -20.507 -0.953 -4.747 1074 HD23 LEU 146 2HD2 LEU 146 -19.754 -0.468 -6.266 1075 H GLU 147 HN GLU 147 -22.850 -5.999 -5.905 1076 HA GLU 147 HA GLU 147 -24.182 -6.455 -8.319 1077 HB2 GLU 147 2HB GLU 147 -24.335 -7.862 -6.277 1078 HB3 GLU 147 1HB GLU 147 -25.253 -6.592 -5.490 1079 HG2 GLU 147 2HG GLU 147 -26.208 -7.837 -8.032 1080 HG3 GLU 147 1HG GLU 147 -26.483 -8.599 -6.470 1081 H HIS 148 HN HIS 148 -25.170 -4.411 -5.565 1082 HA HIS 148 HA HIS 148 -26.746 -2.755 -7.378 1083 HB2 HIS 148 2HB HIS 148 -26.687 -3.190 -4.458 1084 HB3 HIS 148 1HB HIS 148 -26.962 -1.523 -4.953 1085 HD1 HIS 148 1HD HIS 148 -28.493 -4.976 -5.264 1086 HD2 HIS 148 2HD HIS 148 -29.457 -0.987 -5.970 1087 HE1 HIS 148 1HE HIS 148 -30.962 -4.942 -5.735 1088 HE2 HIS 148 2HE HIS 148 -31.461 -2.565 -6.396 1089 H HIS 149 HN HIS 149 -25.420 -1.550 -8.561 1090 HA HIS 149 HA HIS 149 -22.948 -0.503 -7.449 1091 HB2 HIS 149 2HB HIS 149 -23.213 -1.580 -9.749 1092 HB3 HIS 149 1HB HIS 149 -24.050 -0.114 -10.239 1093 HD1 HIS 149 1HD HIS 149 -22.613 1.963 -10.705 1094 HD2 HIS 149 2HD HIS 149 -20.423 -1.309 -9.377 1095 HE1 HIS 149 1HE HIS 149 -20.210 2.531 -11.157 1096 HE2 HIS 149 2HE HIS 149 -18.943 0.432 -10.599 1097 H HIS 150 HN HIS 150 -25.638 0.549 -6.616 1098 HA HIS 150 HA HIS 150 -25.864 3.137 -7.876 1099 HB2 HIS 150 2HB HIS 150 -27.821 1.697 -7.108 1100 HB3 HIS 150 1HB HIS 150 -27.406 2.174 -5.466 1101 HD1 HIS 150 1HD HIS 150 -28.466 3.755 -8.760 1102 HD2 HIS 150 2HD HIS 150 -28.486 4.549 -4.674 1103 HE1 HIS 150 1HE HIS 150 -29.742 5.905 -8.491 1104 HE2 HIS 150 2HE HIS 150 -29.735 6.380 -6.011 1105 H HIS 151 HN HIS 151 -23.435 2.480 -6.302 1106 HA HIS 151 HA HIS 151 -23.524 4.737 -4.414 1107 HB2 HIS 151 2HB HIS 151 -22.501 2.564 -3.640 1108 HB3 HIS 151 1HB HIS 151 -21.268 2.763 -4.877 1109 HD1 HIS 151 1HD HIS 151 -22.517 4.480 -1.730 1110 HD2 HIS 151 2HD HIS 151 -19.109 4.235 -4.101 1111 HE1 HIS 151 1HE HIS 151 -20.748 5.771 -0.506 1112 HE2 HIS 151 2HE HIS 151 -18.644 5.367 -1.823 1113 H HIS 152 HN HIS 152 -23.260 4.210 -7.520 1114 HA HIS 152 HA HIS 152 -21.902 6.669 -8.077 1115 HB2 HIS 152 2HB HIS 152 -20.439 4.200 -8.271 1116 HB3 HIS 152 1HB HIS 152 -20.681 4.856 -9.885 1117 HD1 HIS 152 1HD HIS 152 -18.404 5.011 -7.154 1118 HD2 HIS 152 2HD HIS 152 -19.823 7.743 -9.942 1119 HE1 HIS 152 1HE HIS 152 -16.736 6.886 -7.170 1120 HE2 HIS 152 2HE HIS 152 -17.469 8.369 -9.071 1121 H HIS 153 HN HIS 153 -22.442 7.411 -10.194 1122 HA HIS 153 HA HIS 153 -24.436 5.734 -11.568 1123 HB2 HIS 153 2HB HIS 153 -25.413 7.690 -10.325 1124 HB3 HIS 153 1HB HIS 153 -24.492 8.754 -11.379 1125 HD1 HIS 153 1HD HIS 153 -27.173 6.070 -11.650 1126 HD2 HIS 153 2HD HIS 153 -25.806 9.448 -13.664 1127 HE1 HIS 153 1HE HIS 153 -28.822 6.472 -13.504 1128 HE2 HIS 153 2HE HIS 153 -28.051 8.588 -14.631 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -10.525 -6.063 4.009 2 H2 MET 1 H2 MET 1 -9.657 -4.948 4.933 3 H3 MET 1 H3 MET 1 -9.289 -6.591 5.043 4 HA MET 1 HA MET 1 -8.950 -4.903 2.635 5 HB2 MET 1 2HB MET 1 -7.279 -4.281 4.231 6 HB3 MET 1 1HB MET 1 -6.966 -5.958 4.657 7 HG2 MET 1 2HG MET 1 -6.161 -6.302 2.308 8 HG3 MET 1 1HG MET 1 -6.282 -4.559 2.086 9 HE1 MET 1 2HE MET 1 -3.639 -6.562 1.804 10 HE2 MET 1 3HE MET 1 -2.410 -5.434 2.375 11 HE3 MET 1 1HE MET 1 -3.687 -4.876 1.293 12 H LYS 2 HN LYS 2 -9.462 -6.175 0.956 13 HA LYS 2 HA LYS 2 -8.523 -8.965 0.978 14 HB2 LYS 2 2HB LYS 2 -10.501 -7.526 -0.792 15 HB3 LYS 2 1HB LYS 2 -9.856 -9.106 -1.205 16 HG2 LYS 2 2HG LYS 2 -11.883 -9.590 -0.211 17 HG3 LYS 2 1HG LYS 2 -10.731 -9.829 1.101 18 HD2 LYS 2 2HD LYS 2 -11.255 -7.653 2.007 19 HD3 LYS 2 1HD LYS 2 -12.324 -7.307 0.649 20 HE2 LYS 2 2HE LYS 2 -13.700 -9.275 1.341 21 HE3 LYS 2 1HE LYS 2 -12.684 -9.415 2.774 22 HZ1 LYS 2 3HZ LYS 2 -14.407 -7.115 2.031 23 HZ2 LYS 2 1HZ LYS 2 -13.332 -7.122 3.349 24 HZ3 LYS 2 2HZ LYS 2 -14.647 -8.194 3.314 25 H THR 3 HN THR 3 -6.925 -9.645 -0.335 26 HA THR 3 HA THR 3 -6.222 -8.191 -2.717 27 HB THR 3 HB THR 3 -4.981 -6.949 -0.939 28 HG1 THR 3 1HG THR 3 -3.945 -6.758 -2.824 29 HG21 THR 3 3HG2 THR 3 -4.543 -8.795 0.594 30 HG22 THR 3 1HG2 THR 3 -3.034 -8.019 0.107 31 HG23 THR 3 2HG2 THR 3 -3.503 -9.564 -0.607 32 H THR 4 HN THR 4 -4.144 -9.330 -3.690 33 HA THR 4 HA THR 4 -4.628 -12.217 -3.362 34 HB THR 4 HB THR 4 -3.926 -12.456 -5.729 35 HG1 THR 4 1HG THR 4 -3.782 -10.535 -6.992 36 HG21 THR 4 3HG2 THR 4 -6.303 -12.290 -5.159 37 HG22 THR 4 1HG2 THR 4 -5.973 -11.543 -6.721 38 HG23 THR 4 2HG2 THR 4 -6.217 -10.534 -5.295 39 HA PRO 5 HA PRO 5 -0.430 -13.008 -2.281 40 HB2 PRO 5 2HB PRO 5 0.086 -15.166 -3.953 41 HB3 PRO 5 1HB PRO 5 -0.694 -15.260 -2.374 42 HG2 PRO 5 2HG PRO 5 -1.919 -15.228 -5.092 43 HG3 PRO 5 1HG PRO 5 -2.394 -16.153 -3.656 44 HD2 PRO 5 2HD PRO 5 -3.751 -13.977 -4.423 45 HD3 PRO 5 1HD PRO 5 -3.503 -14.359 -2.706 46 H ASP 6 HN ASP 6 -1.272 -12.790 -5.666 47 HA ASP 6 HA ASP 6 1.276 -12.520 -6.793 48 HB2 ASP 6 2HB ASP 6 -0.981 -12.804 -7.978 49 HB3 ASP 6 1HB ASP 6 -1.155 -11.064 -7.789 50 H ILE 7 HN ILE 7 -0.961 -10.111 -5.484 51 HA ILE 7 HA ILE 7 0.711 -7.856 -5.953 52 HB ILE 7 HB ILE 7 -1.488 -8.223 -3.898 53 HG12 ILE 7 2HG1 ILE 7 -2.275 -8.547 -6.200 54 HG13 ILE 7 1HG1 ILE 7 -2.921 -7.059 -5.515 55 HG21 ILE 7 1HG2 ILE 7 -0.032 -6.366 -3.307 56 HG22 ILE 7 2HG2 ILE 7 -1.601 -5.773 -3.855 57 HG23 ILE 7 3HG2 ILE 7 -0.206 -5.696 -4.931 58 HD11 ILE 7 3HD1 ILE 7 -2.228 -6.808 -7.850 59 HD12 ILE 7 1HD1 ILE 7 -0.575 -7.218 -7.396 60 HD13 ILE 7 2HD1 ILE 7 -1.325 -5.749 -6.768 61 H LEU 8 HN LEU 8 0.198 -9.985 -3.177 62 HA LEU 8 HA LEU 8 1.776 -8.701 -1.279 63 HB2 LEU 8 2HB LEU 8 1.417 -11.678 -1.655 64 HB3 LEU 8 1HB LEU 8 1.977 -10.892 -0.194 65 HG LEU 8 HG LEU 8 -0.773 -10.552 -1.393 66 HD11 LEU 8 1HD1 LEU 8 0.100 -12.067 1.063 67 HD12 LEU 8 2HD1 LEU 8 -0.327 -12.808 -0.479 68 HD13 LEU 8 3HD1 LEU 8 -1.542 -11.921 0.436 69 HD21 LEU 8 3HD2 LEU 8 -1.286 -9.413 0.706 70 HD22 LEU 8 1HD2 LEU 8 0.004 -8.583 -0.167 71 HD23 LEU 8 2HD2 LEU 8 0.392 -9.600 1.221 72 H ASP 9 HN ASP 9 2.692 -11.041 -3.761 73 HA ASP 9 HA ASP 9 5.391 -11.296 -2.938 74 HB2 ASP 9 2HB ASP 9 4.124 -12.899 -4.417 75 HB3 ASP 9 1HB ASP 9 4.310 -11.734 -5.724 76 H GLN 10 HN GLN 10 3.785 -9.290 -5.365 77 HA GLN 10 HA GLN 10 6.026 -7.970 -6.378 78 HB2 GLN 10 2HB GLN 10 3.172 -7.051 -6.034 79 HB3 GLN 10 1HB GLN 10 4.384 -6.118 -6.900 80 HG2 GLN 10 2HG GLN 10 4.684 -7.949 -8.471 81 HG3 GLN 10 1HG GLN 10 3.495 -8.906 -7.595 82 HE21 GLN 10 1HE2 GLN 10 1.341 -8.448 -7.810 83 HE22 GLN 10 2HE2 GLN 10 0.726 -7.378 -9.019 84 H ILE 11 HN ILE 11 4.234 -7.456 -3.406 85 HA ILE 11 HA ILE 11 5.504 -4.997 -2.713 86 HB ILE 11 HB ILE 11 4.189 -7.040 -0.911 87 HG12 ILE 11 2HG1 ILE 11 3.087 -4.483 -2.106 88 HG13 ILE 11 1HG1 ILE 11 2.684 -6.109 -2.647 89 HG21 ILE 11 1HG2 ILE 11 5.679 -5.576 0.342 90 HG22 ILE 11 2HG2 ILE 11 3.997 -5.187 0.699 91 HG23 ILE 11 3HG2 ILE 11 4.926 -4.157 -0.387 92 HD11 ILE 11 3HD1 ILE 11 2.109 -4.971 0.079 93 HD12 ILE 11 1HD1 ILE 11 1.678 -6.585 -0.483 94 HD13 ILE 11 2HD1 ILE 11 0.943 -5.166 -1.229 95 H ARG 12 HN ARG 12 6.058 -8.389 -1.772 96 HA ARG 12 HA ARG 12 8.146 -7.785 0.034 97 HB2 ARG 12 2HB ARG 12 8.591 -10.176 0.106 98 HB3 ARG 12 1HB ARG 12 6.865 -9.862 0.198 99 HG2 ARG 12 2HG ARG 12 6.563 -10.521 -2.084 100 HG3 ARG 12 1HG ARG 12 8.306 -10.658 -2.319 101 HD2 ARG 12 2HD ARG 12 7.325 -12.853 -2.034 102 HD3 ARG 12 1HD ARG 12 8.373 -12.473 -0.670 103 HE ARG 12 HE ARG 12 6.249 -11.904 0.535 104 HH11 ARG 12 1HH1 ARG 12 6.234 -14.097 -2.176 105 HH12 ARG 12 2HH1 ARG 12 4.919 -15.062 -1.571 106 HH21 ARG 12 1HH2 ARG 12 4.517 -13.170 1.361 107 HH22 ARG 12 2HH2 ARG 12 3.947 -14.540 0.459 108 H VAL 13 HN VAL 13 8.171 -8.612 -3.405 109 HA VAL 13 HA VAL 13 10.946 -9.098 -3.609 110 HB VAL 13 HB VAL 13 8.987 -8.149 -5.713 111 HG11 VAL 13 1HG1 VAL 13 11.259 -7.533 -6.360 112 HG12 VAL 13 2HG1 VAL 13 10.665 -8.855 -7.363 113 HG13 VAL 13 3HG1 VAL 13 11.805 -9.185 -6.057 114 HG21 VAL 13 3HG2 VAL 13 8.483 -10.352 -4.798 115 HG22 VAL 13 1HG2 VAL 13 10.138 -10.877 -5.114 116 HG23 VAL 13 2HG2 VAL 13 9.064 -10.488 -6.458 117 H HIS 14 HN HIS 14 9.041 -6.151 -4.225 118 HA HIS 14 HA HIS 14 11.301 -4.553 -4.840 119 HB2 HIS 14 2HB HIS 14 8.915 -4.014 -5.460 120 HB3 HIS 14 1HB HIS 14 8.654 -3.555 -3.779 121 HD1 HIS 14 1HD HIS 14 9.298 -1.209 -3.132 122 HD2 HIS 14 2HD HIS 14 10.859 -2.331 -6.820 123 HE1 HIS 14 1HE HIS 14 10.318 0.876 -4.105 124 HE2 HIS 14 2HE HIS 14 11.334 0.162 -6.293 125 H GLY 15 HN GLY 15 9.751 -5.480 -1.865 126 HA2 GLY 15 2HA GLY 15 10.865 -3.481 -0.187 127 HA3 GLY 15 1HA GLY 15 10.238 -5.037 0.335 128 H ALA 16 HN ALA 16 11.942 -6.747 -1.042 129 HA ALA 16 HA ALA 16 14.278 -6.650 0.606 130 HB1 ALA 16 1HB ALA 16 13.225 -8.766 -0.056 131 HB2 ALA 16 2HB ALA 16 14.919 -8.702 -0.541 132 HB3 ALA 16 3HB ALA 16 13.650 -8.445 -1.738 133 H ASP 17 HN ASP 17 13.526 -5.933 -2.726 134 HA ASP 17 HA ASP 17 16.124 -5.524 -3.718 135 HB2 ASP 17 2HB ASP 17 14.082 -5.710 -5.106 136 HB3 ASP 17 1HB ASP 17 13.558 -4.147 -4.515 137 H ALA 18 HN ALA 18 13.881 -3.474 -2.027 138 HA ALA 18 HA ALA 18 15.812 -1.258 -2.053 139 HB1 ALA 18 1HB ALA 18 13.923 0.179 -1.515 140 HB2 ALA 18 2HB ALA 18 12.862 -1.228 -1.440 141 HB3 ALA 18 3HB ALA 18 13.604 -0.764 -2.973 142 H TYR 19 HN TYR 19 16.500 -3.246 -0.336 143 HA TYR 19 HA TYR 19 15.569 -2.532 2.330 144 HB2 TYR 19 2HB TYR 19 15.965 -4.931 1.675 145 HB3 TYR 19 1HB TYR 19 17.675 -4.559 1.499 146 HD1 TYR 19 1HD TYR 19 14.915 -4.505 4.003 147 HD2 TYR 19 2HD TYR 19 19.106 -4.796 3.329 148 HE1 TYR 19 1HE TYR 19 15.258 -5.002 6.385 149 HE2 TYR 19 2HE TYR 19 19.460 -5.286 5.709 150 HH TYR 19 HH TYR 19 18.346 -4.981 7.853 151 HA PRO 20 HA PRO 20 16.320 -2.487 4.360 152 HB2 PRO 20 2HB PRO 20 16.694 -0.664 6.274 153 HB3 PRO 20 1HB PRO 20 17.893 -1.923 5.955 154 HG2 PRO 20 2HG PRO 20 17.903 0.953 5.156 155 HG3 PRO 20 1HG PRO 20 19.246 -0.063 5.712 156 HD2 PRO 20 2HD PRO 20 18.687 0.547 3.059 157 HD3 PRO 20 1HD PRO 20 19.674 -0.823 3.605 158 H GLU 21 HN GLU 21 16.324 0.508 2.688 159 HA GLU 21 HA GLU 21 13.510 0.700 2.763 160 HB2 GLU 21 2HB GLU 21 13.396 2.978 3.833 161 HB3 GLU 21 1HB GLU 21 13.658 1.624 4.913 162 HG2 GLU 21 2HG GLU 21 16.017 2.168 5.062 163 HG3 GLU 21 1HG GLU 21 15.803 3.480 3.904 164 H GLU 22 HN GLU 22 13.165 1.185 0.810 165 HA GLU 22 HA GLU 22 13.775 3.748 -0.273 166 HB2 GLU 22 2HB GLU 22 15.335 1.390 -1.225 167 HB3 GLU 22 1HB GLU 22 14.742 2.509 -2.440 168 HG2 GLU 22 2HG GLU 22 16.556 3.156 -0.134 169 HG3 GLU 22 1HG GLU 22 17.003 3.057 -1.835 170 H GLY 23 HN GLY 23 11.695 1.403 0.196 171 HA2 GLY 23 2HA GLY 23 10.335 1.768 -2.361 172 HA3 GLY 23 1HA GLY 23 10.776 0.129 -1.918 173 H CYS 24 HN CYS 24 9.621 2.635 0.283 174 HA CYS 24 HA CYS 24 7.354 0.987 1.016 175 HB2 CYS 24 2HB CYS 24 6.868 2.969 2.544 176 HB3 CYS 24 1HB CYS 24 8.386 2.125 2.838 177 HG CYS 24 HG CYS 24 7.882 5.240 1.578 178 H GLY 25 HN GLY 25 5.225 2.596 1.332 179 HA2 GLY 25 2HA GLY 25 4.688 4.673 -0.348 180 HA3 GLY 25 1HA GLY 25 4.518 3.267 -1.384 181 H PHE 26 HN PHE 26 2.331 3.980 -1.647 182 HA PHE 26 HA PHE 26 0.608 3.502 0.693 183 HB2 PHE 26 2HB PHE 26 0.059 5.205 -1.748 184 HB3 PHE 26 1HB PHE 26 -1.043 4.966 -0.398 185 HD1 PHE 26 1HD PHE 26 -0.612 6.003 1.757 186 HD2 PHE 26 2HD PHE 26 1.965 6.656 -1.568 187 HE1 PHE 26 1HE PHE 26 0.379 7.937 2.912 188 HE2 PHE 26 2HE PHE 26 2.964 8.591 -0.419 189 HZ PHE 26 HZ PHE 26 2.170 9.234 1.824 190 H LEU 27 HN LEU 27 -1.495 2.583 0.251 191 HA LEU 27 HA LEU 27 -1.380 0.567 -1.878 192 HB2 LEU 27 2HB LEU 27 -3.131 0.758 0.576 193 HB3 LEU 27 1HB LEU 27 -3.188 -0.542 -0.598 194 HG LEU 27 HG LEU 27 -0.768 0.112 1.082 195 HD11 LEU 27 1HD1 LEU 27 -2.630 -0.619 2.482 196 HD12 LEU 27 2HD1 LEU 27 -1.366 -1.846 2.404 197 HD13 LEU 27 3HD1 LEU 27 -2.846 -2.041 1.462 198 HD21 LEU 27 3HD2 LEU 27 0.043 -2.052 0.342 199 HD22 LEU 27 1HD2 LEU 27 -0.295 -1.025 -1.049 200 HD23 LEU 27 2HD2 LEU 27 -1.424 -2.305 -0.604 201 H LEU 28 HN LEU 28 -2.530 0.919 -3.660 202 HA LEU 28 HA LEU 28 -4.786 2.797 -3.518 203 HB2 LEU 28 2HB LEU 28 -3.200 1.855 -5.910 204 HB3 LEU 28 1HB LEU 28 -4.524 3.005 -5.960 205 HG LEU 28 HG LEU 28 -1.882 3.425 -4.557 206 HD11 LEU 28 1HD1 LEU 28 -2.980 4.613 -7.100 207 HD12 LEU 28 2HD1 LEU 28 -1.641 3.473 -6.968 208 HD13 LEU 28 3HD1 LEU 28 -1.483 5.098 -6.302 209 HD21 LEU 28 3HD2 LEU 28 -3.724 4.562 -3.430 210 HD22 LEU 28 1HD2 LEU 28 -4.208 5.303 -4.955 211 HD23 LEU 28 2HD2 LEU 28 -2.654 5.714 -4.228 212 H GLY 29 HN GLY 29 -6.820 2.147 -4.027 213 HA2 GLY 29 2HA GLY 29 -7.427 -0.176 -5.517 214 HA3 GLY 29 1HA GLY 29 -7.461 -0.556 -3.803 215 H THR 30 HN THR 30 -9.697 -1.003 -4.105 216 HA THR 30 HA THR 30 -11.346 1.411 -3.937 217 HB THR 30 HB THR 30 -13.106 -0.198 -5.143 218 HG1 THR 30 1HG THR 30 -11.235 -0.879 -6.939 219 HG21 THR 30 3HG2 THR 30 -12.590 0.956 -7.256 220 HG22 THR 30 1HG2 THR 30 -11.052 1.489 -6.574 221 HG23 THR 30 2HG2 THR 30 -12.570 2.054 -5.876 222 H VAL 31 HN VAL 31 -13.401 1.041 -2.862 223 HA VAL 31 HA VAL 31 -13.223 -1.042 -0.833 224 HB VAL 31 HB VAL 31 -15.431 0.981 -1.226 225 HG11 VAL 31 1HG1 VAL 31 -16.039 -0.855 0.216 226 HG12 VAL 31 2HG1 VAL 31 -15.827 0.610 1.175 227 HG13 VAL 31 3HG1 VAL 31 -14.572 -0.630 1.167 228 HG21 VAL 31 3HG2 VAL 31 -13.293 2.147 -1.006 229 HG22 VAL 31 1HG2 VAL 31 -12.954 1.249 0.473 230 HG23 VAL 31 2HG2 VAL 31 -14.300 2.386 0.421 231 H THR 32 HN THR 32 -13.982 -3.011 -1.329 232 HA THR 32 HA THR 32 -15.455 -3.208 -3.838 233 HB THR 32 HB THR 32 -13.378 -4.427 -3.804 234 HG1 THR 32 1HG THR 32 -15.452 -5.399 -4.699 235 HG21 THR 32 3HG2 THR 32 -12.967 -6.293 -2.285 236 HG22 THR 32 1HG2 THR 32 -14.486 -5.961 -1.454 237 HG23 THR 32 2HG2 THR 32 -13.172 -4.785 -1.393 238 H ASP 33 HN ASP 33 -15.594 -4.405 -0.551 239 HA ASP 33 HA ASP 33 -18.150 -5.667 -0.810 240 HB2 ASP 33 2HB ASP 33 -16.899 -4.544 1.706 241 HB3 ASP 33 1HB ASP 33 -18.113 -5.804 1.592 242 H ASP 34 HN ASP 34 -17.106 -2.570 -0.874 243 HA ASP 34 HA ASP 34 -17.962 -0.489 -0.697 244 HB2 ASP 34 2HB ASP 34 -20.020 -1.599 -1.749 245 HB3 ASP 34 1HB ASP 34 -20.672 -1.678 -0.116 246 H GLY 35 HN GLY 35 -17.449 -2.572 1.533 247 HA2 GLY 35 2HA GLY 35 -17.895 -0.653 3.711 248 HA3 GLY 35 1HA GLY 35 -18.288 -2.353 3.942 249 H ASP 36 HN ASP 36 -15.919 -3.090 2.197 250 HA ASP 36 HA ASP 36 -13.744 -2.375 4.025 251 HB2 ASP 36 2HB ASP 36 -14.521 -4.599 4.672 252 HB3 ASP 36 1HB ASP 36 -14.365 -5.159 3.012 253 H ASN 37 HN ASN 37 -11.608 -2.683 3.069 254 HA ASN 37 HA ASN 37 -11.770 -1.662 0.338 255 HB2 ASN 37 2HB ASN 37 -9.624 -0.660 0.726 256 HB3 ASN 37 1HB ASN 37 -10.641 -0.335 2.126 257 HD21 ASN 37 1HD2 ASN 37 -10.161 -1.340 4.103 258 HD22 ASN 37 2HD2 ASN 37 -8.620 -2.084 4.389 259 H ARG 38 HN ARG 38 -10.569 -2.394 -1.358 260 HA ARG 38 HA ARG 38 -9.033 -4.877 -0.955 261 HB2 ARG 38 2HB ARG 38 -9.578 -5.608 -3.130 262 HB3 ARG 38 1HB ARG 38 -11.095 -4.989 -2.485 263 HG2 ARG 38 2HG ARG 38 -10.737 -2.900 -3.675 264 HG3 ARG 38 1HG ARG 38 -9.227 -3.515 -4.319 265 HD2 ARG 38 2HD ARG 38 -11.815 -4.956 -4.781 266 HD3 ARG 38 1HD ARG 38 -11.303 -3.631 -5.824 267 HE ARG 38 HE ARG 38 -9.473 -5.888 -5.399 268 HH11 ARG 38 1HH1 ARG 38 -11.588 -4.060 -7.523 269 HH12 ARG 38 2HH1 ARG 38 -10.978 -4.807 -8.969 270 HH21 ARG 38 1HH2 ARG 38 -8.674 -6.853 -7.311 271 HH22 ARG 38 2HH2 ARG 38 -9.343 -6.398 -8.851 272 H VAL 39 HN VAL 39 -7.040 -4.996 -1.908 273 HA VAL 39 HA VAL 39 -5.900 -2.444 -2.819 274 HB VAL 39 HB VAL 39 -4.471 -4.913 -1.802 275 HG11 VAL 39 1HG1 VAL 39 -3.121 -3.723 -3.432 276 HG12 VAL 39 2HG1 VAL 39 -2.463 -3.487 -1.814 277 HG13 VAL 39 3HG1 VAL 39 -3.397 -2.203 -2.581 278 HG21 VAL 39 3HG2 VAL 39 -5.635 -3.789 -0.006 279 HG22 VAL 39 1HG2 VAL 39 -4.969 -2.234 -0.507 280 HG23 VAL 39 2HG2 VAL 39 -3.904 -3.482 0.133 281 H ALA 40 HN ALA 40 -5.558 -2.228 -4.927 282 HA ALA 40 HA ALA 40 -5.330 -4.680 -6.553 283 HB1 ALA 40 1HB ALA 40 -6.730 -2.113 -7.291 284 HB2 ALA 40 2HB ALA 40 -7.515 -3.625 -6.833 285 HB3 ALA 40 3HB ALA 40 -6.570 -3.539 -8.321 286 H ALA 41 HN ALA 41 -4.266 -1.371 -6.047 287 HA ALA 41 HA ALA 41 -2.177 -1.824 -8.068 288 HB1 ALA 41 1HB ALA 41 -3.589 0.778 -7.508 289 HB2 ALA 41 2HB ALA 41 -3.840 -0.249 -8.920 290 HB3 ALA 41 3HB ALA 41 -2.280 0.537 -8.662 291 H LEU 42 HN LEU 42 -0.149 -1.470 -7.442 292 HA LEU 42 HA LEU 42 0.302 -0.385 -4.755 293 HB2 LEU 42 2HB LEU 42 2.141 -1.872 -6.635 294 HB3 LEU 42 1HB LEU 42 2.592 -1.300 -5.041 295 HG LEU 42 HG LEU 42 0.456 -3.359 -5.604 296 HD11 LEU 42 1HD1 LEU 42 2.687 -4.183 -6.113 297 HD12 LEU 42 2HD1 LEU 42 2.043 -4.953 -4.663 298 HD13 LEU 42 3HD1 LEU 42 3.250 -3.674 -4.521 299 HD21 LEU 42 3HD2 LEU 42 1.641 -2.394 -3.000 300 HD22 LEU 42 1HD2 LEU 42 0.487 -3.716 -3.181 301 HD23 LEU 42 2HD2 LEU 42 0.009 -2.067 -3.581 302 H HIS 43 HN HIS 43 1.762 1.301 -4.394 303 HA HIS 43 HA HIS 43 3.068 2.512 -6.688 304 HB2 HIS 43 2HB HIS 43 0.719 3.660 -5.464 305 HB3 HIS 43 1HB HIS 43 2.105 4.726 -5.249 306 HD1 HIS 43 1HD HIS 43 0.839 2.655 -8.196 307 HD2 HIS 43 2HD HIS 43 2.193 6.481 -7.293 308 HE1 HIS 43 1HE HIS 43 0.760 3.932 -10.364 309 HE2 HIS 43 2HE HIS 43 1.830 6.152 -9.835 310 H ARG 44 HN ARG 44 4.968 3.466 -6.186 311 HA ARG 44 HA ARG 44 5.948 2.888 -3.507 312 HB2 ARG 44 2HB ARG 44 7.568 3.857 -5.860 313 HB3 ARG 44 1HB ARG 44 8.146 3.023 -4.425 314 HG2 ARG 44 2HG ARG 44 6.470 1.856 -6.637 315 HG3 ARG 44 1HG ARG 44 8.168 1.521 -6.306 316 HD2 ARG 44 2HD ARG 44 7.522 0.556 -4.126 317 HD3 ARG 44 1HD ARG 44 5.828 0.846 -4.523 318 HE ARG 44 HE ARG 44 7.177 -0.697 -6.530 319 HH11 ARG 44 1HH1 ARG 44 5.492 -0.865 -3.451 320 HH12 ARG 44 2HH1 ARG 44 5.125 -2.555 -3.608 321 HH21 ARG 44 1HH2 ARG 44 6.690 -2.924 -6.737 322 HH22 ARG 44 2HH2 ARG 44 5.814 -3.729 -5.468 323 H ALA 45 HN ALA 45 6.677 4.408 -2.104 324 HA ALA 45 HA ALA 45 5.696 7.046 -2.335 325 HB1 ALA 45 1HB ALA 45 6.875 7.476 -0.250 326 HB2 ALA 45 2HB ALA 45 7.765 5.964 -0.428 327 HB3 ALA 45 3HB ALA 45 6.020 5.935 -0.178 328 H THR 46 HN THR 46 6.476 8.671 -3.425 329 HA THR 46 HA THR 46 9.251 9.304 -3.488 330 HB THR 46 HB THR 46 9.172 7.594 -5.277 331 HG1 THR 46 1HG THR 46 10.729 8.991 -5.756 332 HG21 THR 46 3HG2 THR 46 7.297 9.507 -6.674 333 HG22 THR 46 1HG2 THR 46 6.853 7.935 -6.008 334 HG23 THR 46 2HG2 THR 46 7.981 8.033 -7.359 335 H ASN 47 HN ASN 47 9.612 11.402 -4.325 336 HA ASN 47 HA ASN 47 7.480 13.032 -5.290 337 HB2 ASN 47 2HB ASN 47 6.722 12.779 -2.953 338 HB3 ASN 47 1HB ASN 47 8.272 13.400 -2.390 339 HD21 ASN 47 1HD2 ASN 47 6.408 14.566 -5.139 340 HD22 ASN 47 2HD2 ASN 47 6.072 16.125 -4.472 341 H ARG 48 HN ARG 48 10.484 12.979 -3.423 342 HA ARG 48 HA ARG 48 12.416 14.138 -3.570 343 HB2 ARG 48 2HB ARG 48 11.477 14.700 -6.391 344 HB3 ARG 48 1HB ARG 48 13.112 14.959 -5.793 345 HG2 ARG 48 2HG ARG 48 13.420 12.615 -5.418 346 HG3 ARG 48 1HG ARG 48 11.729 12.286 -5.798 347 HD2 ARG 48 2HD ARG 48 12.143 13.141 -8.089 348 HD3 ARG 48 1HD ARG 48 13.853 13.295 -7.681 349 HE ARG 48 HE ARG 48 13.668 10.788 -7.193 350 HH11 ARG 48 1HH1 ARG 48 11.724 12.437 -9.599 351 HH12 ARG 48 2HH1 ARG 48 11.618 11.043 -10.639 352 HH21 ARG 48 1HH2 ARG 48 13.514 8.953 -8.573 353 HH22 ARG 48 2HH2 ARG 48 12.617 9.092 -10.063 354 H ARG 49 HN ARG 49 9.887 15.365 -2.763 355 HA ARG 49 HA ARG 49 9.360 17.243 -1.652 356 HB2 ARG 49 2HB ARG 49 12.057 18.168 -2.613 357 HB3 ARG 49 1HB ARG 49 10.987 19.210 -1.689 358 HG2 ARG 49 2HG ARG 49 12.379 18.316 -0.069 359 HG3 ARG 49 1HG ARG 49 10.949 17.286 0.027 360 HD2 ARG 49 2HD ARG 49 12.155 15.729 -1.574 361 HD3 ARG 49 1HD ARG 49 13.602 16.681 -1.242 362 HE ARG 49 HE ARG 49 12.113 15.467 0.978 363 HH11 ARG 49 1HH1 ARG 49 15.049 15.775 -0.902 364 HH12 ARG 49 2HH1 ARG 49 15.978 14.742 0.139 365 HH21 ARG 49 1HH2 ARG 49 13.334 14.074 2.334 366 HH22 ARG 49 2HH2 ARG 49 15.001 13.749 1.938 367 H SER 50 HN SER 50 10.603 17.945 -4.927 368 HA SER 50 HA SER 50 9.910 19.430 -6.522 369 HB2 SER 50 2HB SER 50 7.827 18.105 -6.426 370 HB3 SER 50 1HB SER 50 7.236 19.119 -5.110 371 HG SER 50 HG SER 50 7.393 20.906 -6.612 372 H GLU 51 HN GLU 51 11.130 20.388 -4.221 373 HA GLU 51 HA GLU 51 9.760 22.308 -2.736 374 HB2 GLU 51 2HB GLU 51 11.900 21.140 -2.143 375 HB3 GLU 51 1HB GLU 51 12.729 22.210 -3.262 376 HG2 GLU 51 2HG GLU 51 12.085 24.133 -1.936 377 HG3 GLU 51 1HG GLU 51 11.194 23.090 -0.827 378 H GLN 52 HN GLN 52 12.076 22.813 -5.394 379 HA GLN 52 HA GLN 52 11.148 25.583 -5.562 380 HB2 GLN 52 2HB GLN 52 13.092 25.996 -6.992 381 HB3 GLN 52 1HB GLN 52 13.568 25.302 -5.450 382 HG2 GLN 52 2HG GLN 52 13.945 23.169 -6.452 383 HG3 GLN 52 1HG GLN 52 13.267 23.715 -7.986 384 HE21 GLN 52 1HE2 GLN 52 15.987 23.849 -5.842 385 HE22 GLN 52 2HE2 GLN 52 17.086 24.597 -6.949 386 H ARG 53 HN ARG 53 10.322 26.459 -7.438 387 HA ARG 53 HA ARG 53 9.883 24.840 -9.777 388 HB2 ARG 53 2HB ARG 53 8.123 24.001 -8.287 389 HB3 ARG 53 1HB ARG 53 7.560 25.642 -8.007 390 HG2 ARG 53 2HG ARG 53 6.860 25.848 -10.295 391 HG3 ARG 53 1HG ARG 53 7.553 24.273 -10.685 392 HD2 ARG 53 2HD ARG 53 5.953 23.147 -9.325 393 HD3 ARG 53 1HD ARG 53 5.379 24.668 -8.638 394 HE ARG 53 HE ARG 53 4.656 25.190 -11.005 395 HH11 ARG 53 1HH1 ARG 53 4.800 21.923 -9.756 396 HH12 ARG 53 2HH1 ARG 53 3.587 21.322 -10.839 397 HH21 ARG 53 1HH2 ARG 53 3.049 24.412 -12.415 398 HH22 ARG 53 2HH2 ARG 53 2.597 22.733 -12.358 399 H THR 54 HN THR 54 9.414 26.111 -11.566 400 HA THR 54 HA THR 54 10.189 28.822 -11.339 401 HB THR 54 HB THR 54 8.901 27.500 -13.731 402 HG1 THR 54 1HG THR 54 11.550 27.449 -12.695 403 HG21 THR 54 3HG2 THR 54 10.798 29.841 -13.493 404 HG22 THR 54 1HG2 THR 54 9.081 29.937 -13.890 405 HG23 THR 54 2HG2 THR 54 10.200 29.148 -15.002 406 H ARG 55 HN ARG 55 7.077 27.555 -12.615 407 HA ARG 55 HA ARG 55 5.802 30.012 -11.597 408 HB2 ARG 55 2HB ARG 55 4.618 28.052 -13.565 409 HB3 ARG 55 1HB ARG 55 4.033 29.660 -13.173 410 HG2 ARG 55 2HG ARG 55 6.043 30.622 -14.213 411 HG3 ARG 55 1HG ARG 55 6.564 28.993 -14.657 412 HD2 ARG 55 2HD ARG 55 4.341 28.748 -15.834 413 HD3 ARG 55 1HD ARG 55 4.124 30.481 -15.593 414 HE ARG 55 HE ARG 55 6.325 29.289 -17.157 415 HH11 ARG 55 1HH1 ARG 55 4.055 31.881 -16.526 416 HH12 ARG 55 2HH1 ARG 55 4.467 32.756 -17.970 417 HH21 ARG 55 1HH2 ARG 55 6.816 30.407 -19.087 418 HH22 ARG 55 2HH2 ARG 55 5.993 31.900 -19.441 419 H ARG 56 HN ARG 56 4.053 29.857 -10.226 420 HA ARG 56 HA ARG 56 2.581 28.974 -8.732 421 HB2 ARG 56 2HB ARG 56 1.879 27.560 -10.666 422 HB3 ARG 56 1HB ARG 56 3.033 26.341 -10.153 423 HG2 ARG 56 2HG ARG 56 1.800 26.053 -8.066 424 HG3 ARG 56 1HG ARG 56 0.646 27.289 -8.583 425 HD2 ARG 56 2HD ARG 56 0.141 25.916 -10.580 426 HD3 ARG 56 1HD ARG 56 1.209 24.663 -9.955 427 HE ARG 56 HE ARG 56 -0.625 25.130 -7.952 428 HH11 ARG 56 1HH1 ARG 56 -0.781 24.242 -11.339 429 HH12 ARG 56 2HH1 ARG 56 -2.179 23.225 -11.154 430 HH21 ARG 56 1HH2 ARG 56 -2.504 23.827 -7.695 431 HH22 ARG 56 2HH2 ARG 56 -3.152 22.976 -9.069 432 H TYR 57 HN TYR 57 2.798 28.262 -6.644 433 HA TYR 57 HA TYR 57 5.437 27.150 -5.986 434 HB2 TYR 57 2HB TYR 57 4.846 29.347 -5.000 435 HB3 TYR 57 1HB TYR 57 3.475 28.596 -4.193 436 HD1 TYR 57 1HD TYR 57 7.187 28.525 -4.401 437 HD2 TYR 57 2HD TYR 57 3.740 27.581 -2.097 438 HE1 TYR 57 1HE TYR 57 8.625 27.991 -2.481 439 HE2 TYR 57 2HE TYR 57 5.169 27.043 -0.170 440 HH TYR 57 HH TYR 57 7.484 26.375 0.293 441 H GLU 58 HN GLU 58 2.002 26.701 -5.514 442 HA GLU 58 HA GLU 58 0.738 24.965 -4.804 443 HB2 GLU 58 2HB GLU 58 3.308 23.410 -5.144 444 HB3 GLU 58 1HB GLU 58 1.769 22.675 -4.724 445 HG2 GLU 58 2HG GLU 58 0.860 23.662 -6.861 446 HG3 GLU 58 1HG GLU 58 2.528 24.053 -7.281 447 H LEU 59 HN LEU 59 1.116 22.907 -3.139 448 HA LEU 59 HA LEU 59 2.743 23.262 -0.906 449 HB2 LEU 59 2HB LEU 59 0.933 23.824 0.779 450 HB3 LEU 59 1HB LEU 59 1.519 25.145 -0.206 451 HG LEU 59 HG LEU 59 -0.562 24.648 -1.684 452 HD11 LEU 59 1HD1 LEU 59 -1.417 23.415 0.929 453 HD12 LEU 59 2HD1 LEU 59 -1.213 22.568 -0.605 454 HD13 LEU 59 3HD1 LEU 59 -2.473 23.791 -0.433 455 HD21 LEU 59 3HD2 LEU 59 -1.892 26.166 -0.304 456 HD22 LEU 59 1HD2 LEU 59 -0.213 26.690 -0.421 457 HD23 LEU 59 2HD2 LEU 59 -0.790 25.898 1.049 458 H THR 60 HN THR 60 -0.211 22.061 -2.305 459 HA THR 60 HA THR 60 0.005 19.586 -0.799 460 HB THR 60 HB THR 60 -1.981 19.023 -2.453 461 HG1 THR 60 1HG THR 60 -3.093 21.248 -2.656 462 HG21 THR 60 3HG2 THR 60 -2.189 19.198 -0.019 463 HG22 THR 60 1HG2 THR 60 -3.552 19.974 -0.824 464 HG23 THR 60 2HG2 THR 60 -2.254 20.956 -0.147 465 H ALA 61 HN ALA 61 2.219 19.474 -1.868 466 HA ALA 61 HA ALA 61 1.976 17.957 -4.394 467 HB1 ALA 61 1HB ALA 61 3.193 20.059 -4.730 468 HB2 ALA 61 2HB ALA 61 4.269 18.675 -4.921 469 HB3 ALA 61 3HB ALA 61 4.309 19.622 -3.436 470 H ASP 62 HN ASP 62 1.864 17.272 -1.483 471 HA ASP 62 HA ASP 62 4.229 15.987 -0.642 472 HB2 ASP 62 2HB ASP 62 2.313 16.761 0.798 473 HB3 ASP 62 1HB ASP 62 1.385 15.390 0.206 474 H ASP 63 HN ASP 63 4.379 13.621 -0.181 475 HA ASP 63 HA ASP 63 4.275 12.014 -2.442 476 HB2 ASP 63 2HB ASP 63 4.060 11.025 0.411 477 HB3 ASP 63 1HB ASP 63 4.674 10.127 -0.970 478 H TYR 64 HN TYR 64 1.946 12.487 0.134 479 HA TYR 64 HA TYR 64 0.087 10.504 -0.428 480 HB2 TYR 64 2HB TYR 64 0.102 12.105 1.535 481 HB3 TYR 64 1HB TYR 64 -0.583 13.319 0.464 482 HD1 TYR 64 2HD TYR 64 -2.893 13.002 -0.434 483 HD2 TYR 64 1HD TYR 64 -1.234 10.379 2.475 484 HE1 TYR 64 2HE TYR 64 -5.149 12.184 0.106 485 HE2 TYR 64 1HE TYR 64 -3.484 9.556 3.022 486 HH TYR 64 HH TYR 64 -6.133 10.000 1.106 487 H ARG 65 HN ARG 65 0.447 13.720 -1.851 488 HA ARG 65 HA ARG 65 -1.923 13.684 -3.393 489 HB2 ARG 65 2HB ARG 65 0.382 15.421 -3.083 490 HB3 ARG 65 1HB ARG 65 -0.198 15.362 -4.742 491 HG2 ARG 65 2HG ARG 65 -2.266 15.674 -2.676 492 HG3 ARG 65 1HG ARG 65 -1.156 17.026 -2.872 493 HD2 ARG 65 2HD ARG 65 -2.932 17.497 -4.328 494 HD3 ARG 65 1HD ARG 65 -1.654 16.871 -5.363 495 HE ARG 65 HE ARG 65 -3.763 15.054 -4.437 496 HH11 ARG 65 1HH1 ARG 65 -2.139 16.724 -7.067 497 HH12 ARG 65 2HH1 ARG 65 -3.064 15.920 -8.296 498 HH21 ARG 65 1HH2 ARG 65 -4.971 14.011 -6.042 499 HH22 ARG 65 2HH2 ARG 65 -4.688 14.384 -7.725 500 H ALA 66 HN ALA 66 1.359 12.587 -4.059 501 HA ALA 66 HA ALA 66 1.017 12.260 -6.851 502 HB1 ALA 66 1HB ALA 66 3.225 12.326 -5.798 503 HB2 ALA 66 2HB ALA 66 3.016 10.862 -6.756 504 HB3 ALA 66 3HB ALA 66 2.892 10.791 -4.999 505 H ALA 67 HN ALA 67 0.650 10.006 -4.136 506 HA ALA 67 HA ALA 67 -0.231 7.827 -5.735 507 HB1 ALA 67 1HB ALA 67 0.654 7.529 -3.461 508 HB2 ALA 67 2HB ALA 67 -0.949 6.816 -3.640 509 HB3 ALA 67 3HB ALA 67 -0.758 8.361 -2.809 510 H ASP 68 HN ASP 68 -1.813 10.492 -4.112 511 HA ASP 68 HA ASP 68 -4.489 9.691 -4.469 512 HB2 ASP 68 2HB ASP 68 -3.850 11.472 -2.932 513 HB3 ASP 68 1HB ASP 68 -3.284 12.461 -4.267 514 H ALA 69 HN ALA 69 -2.346 11.706 -6.459 515 HA ALA 69 HA ALA 69 -4.140 12.301 -8.520 516 HB1 ALA 69 1HB ALA 69 -1.160 11.859 -8.731 517 HB2 ALA 69 2HB ALA 69 -1.957 13.375 -8.306 518 HB3 ALA 69 3HB ALA 69 -2.173 12.689 -9.917 519 H ALA 70 HN ALA 70 -1.892 9.586 -8.181 520 HA ALA 70 HA ALA 70 -2.572 8.267 -10.566 521 HB1 ALA 70 1HB ALA 70 -1.561 6.283 -9.555 522 HB2 ALA 70 2HB ALA 70 -1.583 7.076 -7.977 523 HB3 ALA 70 3HB ALA 70 -0.578 7.721 -9.275 524 H ALA 71 HN ALA 71 -4.026 8.233 -7.364 525 HA ALA 71 HA ALA 71 -5.713 6.013 -7.713 526 HB1 ALA 71 1HB ALA 71 -5.280 7.052 -5.530 527 HB2 ALA 71 2HB ALA 71 -7.007 6.906 -5.858 528 HB3 ALA 71 3HB ALA 71 -6.204 8.467 -6.032 529 H GLN 72 HN GLN 72 -6.385 9.499 -8.194 530 HA GLN 72 HA GLN 72 -9.001 9.086 -9.185 531 HB2 GLN 72 2HB GLN 72 -7.091 11.385 -9.255 532 HB3 GLN 72 1HB GLN 72 -8.509 11.429 -10.292 533 HG2 GLN 72 2HG GLN 72 -9.021 12.591 -8.282 534 HG3 GLN 72 1HG GLN 72 -9.921 11.077 -8.286 535 HE21 GLN 72 1HE2 GLN 72 -7.379 12.898 -6.810 536 HE22 GLN 72 2HE2 GLN 72 -7.144 11.863 -5.440 537 H GLU 73 HN GLU 73 -5.865 9.235 -10.774 538 HA GLU 73 HA GLU 73 -6.727 9.203 -13.424 539 HB2 GLU 73 2HB GLU 73 -4.270 8.247 -12.033 540 HB3 GLU 73 1HB GLU 73 -4.481 8.019 -13.763 541 HG2 GLU 73 2HG GLU 73 -4.794 10.697 -12.473 542 HG3 GLU 73 1HG GLU 73 -3.238 10.078 -12.987 543 H GLN 74 HN GLN 74 -6.189 6.583 -11.154 544 HA GLN 74 HA GLN 74 -6.716 4.543 -13.119 545 HB2 GLN 74 2HB GLN 74 -6.241 4.467 -10.147 546 HB3 GLN 74 1HB GLN 74 -6.502 3.031 -11.115 547 HG2 GLN 74 2HG GLN 74 -4.503 3.370 -12.331 548 HG3 GLN 74 1HG GLN 74 -4.303 4.995 -11.678 549 HE21 GLN 74 1HE2 GLN 74 -5.008 4.210 -8.966 550 HE22 GLN 74 2HE2 GLN 74 -3.665 3.324 -8.353 551 H GLY 75 HN GLY 75 -8.539 6.343 -10.808 552 HA2 GLY 75 2HA GLY 75 -10.882 6.333 -10.574 553 HA3 GLY 75 1HA GLY 75 -10.940 4.786 -11.412 554 H LEU 76 HN LEU 76 -8.761 5.500 -8.802 555 HA LEU 76 HA LEU 76 -10.195 3.592 -7.072 556 HB2 LEU 76 2HB LEU 76 -7.206 3.919 -7.356 557 HB3 LEU 76 1HB LEU 76 -8.026 2.771 -6.322 558 HG LEU 76 HG LEU 76 -8.019 2.751 -9.342 559 HD11 LEU 76 1HD1 LEU 76 -6.745 0.671 -9.067 560 HD12 LEU 76 2HD1 LEU 76 -6.721 0.922 -7.323 561 HD13 LEU 76 3HD1 LEU 76 -5.894 2.058 -8.388 562 HD21 LEU 76 3HD2 LEU 76 -10.142 1.939 -8.473 563 HD22 LEU 76 1HD2 LEU 76 -9.293 0.841 -7.387 564 HD23 LEU 76 2HD2 LEU 76 -9.188 0.611 -9.132 565 H ASP 77 HN ASP 77 -8.959 3.797 -4.764 566 HA ASP 77 HA ASP 77 -8.187 6.567 -4.265 567 HB2 ASP 77 2HB ASP 77 -9.533 6.742 -2.269 568 HB3 ASP 77 1HB ASP 77 -10.579 6.378 -3.628 569 H VAL 78 HN VAL 78 -7.304 6.706 -1.923 570 HA VAL 78 HA VAL 78 -5.289 4.624 -1.736 571 HB VAL 78 HB VAL 78 -5.597 7.059 0.031 572 HG11 VAL 78 1HG1 VAL 78 -3.209 6.735 0.458 573 HG12 VAL 78 2HG1 VAL 78 -3.218 5.299 -0.567 574 HG13 VAL 78 3HG1 VAL 78 -4.147 5.319 0.933 575 HG21 VAL 78 3HG2 VAL 78 -4.022 6.763 -2.523 576 HG22 VAL 78 1HG2 VAL 78 -3.947 8.144 -1.427 577 HG23 VAL 78 2HG2 VAL 78 -5.444 7.776 -2.283 578 H VAL 79 HN VAL 79 -5.805 2.828 -0.677 579 HA VAL 79 HA VAL 79 -7.879 2.937 1.375 580 HB VAL 79 HB VAL 79 -7.946 0.488 1.198 581 HG11 VAL 79 1HG1 VAL 79 -8.091 1.946 -1.439 582 HG12 VAL 79 2HG1 VAL 79 -9.384 1.791 -0.247 583 HG13 VAL 79 3HG1 VAL 79 -8.807 0.365 -1.114 584 HG21 VAL 79 3HG2 VAL 79 -5.820 0.840 -0.916 585 HG22 VAL 79 1HG2 VAL 79 -6.667 -0.662 -0.550 586 HG23 VAL 79 2HG2 VAL 79 -5.604 0.066 0.654 587 H GLY 80 HN GLY 80 -4.519 2.907 1.225 588 HA2 GLY 80 2HA GLY 80 -4.177 2.902 3.977 589 HA3 GLY 80 1HA GLY 80 -3.945 1.245 3.447 590 H VAL 81 HN VAL 81 -1.828 1.701 4.429 591 HA VAL 81 HA VAL 81 0.063 2.719 2.421 592 HB VAL 81 HB VAL 81 0.512 3.249 5.346 593 HG11 VAL 81 1HG1 VAL 81 1.632 4.493 2.850 594 HG12 VAL 81 2HG1 VAL 81 2.459 3.381 3.941 595 HG13 VAL 81 3HG1 VAL 81 2.020 4.998 4.494 596 HG21 VAL 81 3HG2 VAL 81 -0.266 5.561 5.032 597 HG22 VAL 81 1HG2 VAL 81 -1.570 4.390 4.837 598 HG23 VAL 81 2HG2 VAL 81 -0.833 5.135 3.420 599 H TYR 82 HN TYR 82 2.212 1.754 2.681 600 HA TYR 82 HA TYR 82 2.262 -0.496 4.551 601 HB2 TYR 82 2HB TYR 82 3.342 -1.957 2.896 602 HB3 TYR 82 1HB TYR 82 1.718 -1.496 2.420 603 HD1 TYR 82 2HD TYR 82 1.354 -0.040 0.490 604 HD2 TYR 82 1HD TYR 82 5.274 -1.251 1.618 605 HE1 TYR 82 2HE TYR 82 2.195 0.638 -1.717 606 HE2 TYR 82 1HE TYR 82 6.122 -0.577 -0.590 607 HH TYR 82 HH TYR 82 4.313 1.318 -2.755 608 H HIS 83 HN HIS 83 4.124 -0.910 5.547 609 HA HIS 83 HA HIS 83 6.367 0.918 4.973 610 HB2 HIS 83 2HB HIS 83 5.281 -0.026 7.630 611 HB3 HIS 83 1HB HIS 83 6.883 0.675 7.464 612 HD1 HIS 83 1HD HIS 83 5.255 2.187 9.322 613 HD2 HIS 83 2HD HIS 83 4.961 2.839 5.214 614 HE1 HIS 83 1HE HIS 83 4.273 4.489 9.061 615 HE2 HIS 83 2HE HIS 83 4.348 4.954 6.585 616 H SER 84 HN SER 84 8.469 0.113 5.328 617 HA SER 84 HA SER 84 8.637 -2.816 5.247 618 HB2 SER 84 2HB SER 84 10.988 -2.286 4.356 619 HB3 SER 84 1HB SER 84 9.632 -1.890 3.298 620 HG SER 84 HG SER 84 11.312 -0.185 4.774 621 H HIS 85 HN HIS 85 9.642 -3.895 6.857 622 HA HIS 85 HA HIS 85 11.082 -2.295 8.868 623 HB2 HIS 85 2HB HIS 85 8.878 -4.206 9.151 624 HB3 HIS 85 1HB HIS 85 10.225 -4.510 10.239 625 HD1 HIS 85 1HD HIS 85 9.684 -3.567 12.430 626 HD2 HIS 85 2HD HIS 85 8.379 -1.096 9.342 627 HE1 HIS 85 1HE HIS 85 8.608 -1.578 13.552 628 HE2 HIS 85 2HE HIS 85 7.806 -0.099 11.676 629 HA PRO 86 HA PRO 86 14.484 -5.000 8.172 630 HB2 PRO 86 2HB PRO 86 15.507 -4.389 10.813 631 HB3 PRO 86 1HB PRO 86 16.067 -3.805 9.248 632 HG2 PRO 86 2HG PRO 86 14.858 -2.207 11.085 633 HG3 PRO 86 1HG PRO 86 14.767 -1.918 9.338 634 HD2 PRO 86 2HD PRO 86 12.759 -3.203 11.153 635 HD3 PRO 86 1HD PRO 86 12.502 -2.030 9.841 636 H ASP 87 HN ASP 87 15.996 -6.292 10.013 637 HA ASP 87 HA ASP 87 14.986 -8.795 10.242 638 HB2 ASP 87 2HB ASP 87 17.345 -8.218 10.497 639 HB3 ASP 87 1HB ASP 87 17.007 -7.418 12.024 640 H HIS 88 HN HIS 88 14.467 -10.063 12.105 641 HA HIS 88 HA HIS 88 13.009 -10.697 13.717 642 HB2 HIS 88 2HB HIS 88 13.536 -7.897 14.649 643 HB3 HIS 88 1HB HIS 88 12.300 -8.873 15.427 644 HD1 HIS 88 1HD HIS 88 15.976 -8.452 15.158 645 HD2 HIS 88 2HD HIS 88 13.278 -11.123 16.846 646 HE1 HIS 88 1HE HIS 88 17.316 -9.835 16.763 647 HE2 HIS 88 2HE HIS 88 15.705 -11.559 17.639 648 HA PRO 89 HA PRO 89 9.002 -10.191 12.169 649 HB2 PRO 89 2HB PRO 89 7.430 -10.182 14.441 650 HB3 PRO 89 1HB PRO 89 8.081 -11.630 13.669 651 HG2 PRO 89 2HG PRO 89 9.083 -10.137 16.049 652 HG3 PRO 89 1HG PRO 89 9.053 -11.882 15.742 653 HD2 PRO 89 2HD PRO 89 11.305 -10.425 15.513 654 HD3 PRO 89 1HD PRO 89 10.979 -11.818 14.469 655 H ALA 90 HN ALA 90 8.033 -8.520 11.328 656 HA ALA 90 HA ALA 90 8.491 -5.915 12.397 657 HB1 ALA 90 1HB ALA 90 7.417 -5.109 10.388 658 HB2 ALA 90 2HB ALA 90 6.841 -6.735 10.019 659 HB3 ALA 90 3HB ALA 90 8.570 -6.385 9.998 660 H ARG 91 HN ARG 91 7.356 -5.748 14.322 661 HA ARG 91 HA ARG 91 4.489 -5.246 13.882 662 HB2 ARG 91 2HB ARG 91 6.055 -5.655 16.426 663 HB3 ARG 91 1HB ARG 91 4.435 -4.988 16.422 664 HG2 ARG 91 2HG ARG 91 3.582 -7.039 15.433 665 HG3 ARG 91 1HG ARG 91 5.217 -7.707 15.385 666 HD2 ARG 91 2HD ARG 91 5.357 -7.649 17.794 667 HD3 ARG 91 1HD ARG 91 3.797 -6.837 17.900 668 HE ARG 91 HE ARG 91 2.917 -8.973 16.828 669 HH11 ARG 91 1HH1 ARG 91 5.673 -8.882 18.977 670 HH12 ARG 91 2HH1 ARG 91 5.467 -10.516 19.532 671 HH21 ARG 91 1HH2 ARG 91 2.587 -11.102 17.600 672 HH22 ARG 91 2HH2 ARG 91 3.694 -11.769 18.772 673 HA PRO 92 HA PRO 92 5.244 -1.013 13.415 674 HB2 PRO 92 2HB PRO 92 3.258 0.101 15.004 675 HB3 PRO 92 1HB PRO 92 3.043 -0.466 13.345 676 HG2 PRO 92 2HG PRO 92 2.416 -1.845 15.920 677 HG3 PRO 92 1HG PRO 92 1.500 -1.833 14.401 678 HD2 PRO 92 2HD PRO 92 2.988 -3.939 15.110 679 HD3 PRO 92 1HD PRO 92 2.882 -3.416 13.413 680 H SER 93 HN SER 93 6.774 0.237 14.212 681 HA SER 93 HA SER 93 7.521 0.113 16.991 682 HB2 SER 93 2HB SER 93 8.567 1.908 14.781 683 HB3 SER 93 1HB SER 93 9.349 1.590 16.330 684 HG SER 93 HG SER 93 9.188 -0.740 15.548 685 H ALA 94 HN ALA 94 8.122 2.501 17.889 686 HA ALA 94 HA ALA 94 5.668 3.712 18.518 687 HB1 ALA 94 1HB ALA 94 6.988 5.479 19.562 688 HB2 ALA 94 2HB ALA 94 8.438 4.886 18.751 689 HB3 ALA 94 3HB ALA 94 7.631 3.886 19.959 690 H THR 95 HN THR 95 8.237 4.734 16.281 691 HA THR 95 HA THR 95 6.997 7.102 15.430 692 HB THR 95 HB THR 95 8.993 5.387 13.942 693 HG1 THR 95 1HG THR 95 9.183 7.442 15.902 694 HG21 THR 95 3HG2 THR 95 9.554 7.455 12.738 695 HG22 THR 95 1HG2 THR 95 8.254 8.298 13.581 696 HG23 THR 95 2HG2 THR 95 7.876 6.993 12.458 697 H ASP 96 HN ASP 96 6.613 3.770 14.314 698 HA ASP 96 HA ASP 96 5.143 4.250 11.981 699 HB2 ASP 96 2HB ASP 96 5.114 1.997 13.973 700 HB3 ASP 96 1HB ASP 96 3.918 2.042 12.687 701 H LEU 97 HN LEU 97 4.091 3.999 15.342 702 HA LEU 97 HA LEU 97 1.344 4.540 14.834 703 HB2 LEU 97 2HB LEU 97 2.473 3.457 16.894 704 HB3 LEU 97 1HB LEU 97 2.787 5.096 17.417 705 HG LEU 97 HG LEU 97 0.813 4.077 18.491 706 HD11 LEU 97 1HD1 LEU 97 0.166 6.437 16.745 707 HD12 LEU 97 2HD1 LEU 97 0.942 6.491 18.326 708 HD13 LEU 97 3HD1 LEU 97 -0.727 5.942 18.182 709 HD21 LEU 97 3HD2 LEU 97 -0.412 4.170 15.744 710 HD22 LEU 97 1HD2 LEU 97 -1.229 3.716 17.240 711 HD23 LEU 97 2HD2 LEU 97 0.071 2.708 16.603 712 H GLU 98 HN GLU 98 4.122 6.513 15.773 713 HA GLU 98 HA GLU 98 2.868 8.862 16.490 714 HB2 GLU 98 2HB GLU 98 5.514 8.543 15.076 715 HB3 GLU 98 1HB GLU 98 4.965 10.031 15.829 716 HG2 GLU 98 2HG GLU 98 4.839 8.800 17.989 717 HG3 GLU 98 1HG GLU 98 5.591 7.424 17.182 718 H GLU 99 HN GLU 99 3.689 7.770 13.236 719 HA GLU 99 HA GLU 99 2.716 10.314 12.158 720 HB2 GLU 99 2HB GLU 99 4.181 8.095 10.731 721 HB3 GLU 99 1HB GLU 99 3.849 9.705 10.110 722 HG2 GLU 99 2HG GLU 99 5.607 9.063 12.469 723 HG3 GLU 99 1HG GLU 99 6.161 9.464 10.849 724 H ALA 100 HN ALA 100 1.333 7.564 13.020 725 HA ALA 100 HA ALA 100 -0.149 6.974 10.598 726 HB1 ALA 100 1HB ALA 100 -1.251 5.248 11.920 727 HB2 ALA 100 2HB ALA 100 -0.468 5.854 13.380 728 HB3 ALA 100 3HB ALA 100 0.501 5.145 12.088 729 H THR 101 HN THR 101 -0.803 9.357 10.684 730 HA THR 101 HA THR 101 -3.094 9.832 12.450 731 HB THR 101 HB THR 101 -2.040 11.858 10.521 732 HG1 THR 101 1HG THR 101 -0.755 10.850 12.831 733 HG21 THR 101 3HG2 THR 101 -4.020 12.368 11.899 734 HG22 THR 101 1HG2 THR 101 -2.656 13.410 12.307 735 HG23 THR 101 2HG2 THR 101 -3.075 12.053 13.354 736 H PHE 102 HN PHE 102 -3.116 8.000 10.121 737 HA PHE 102 HA PHE 102 -5.091 9.356 8.413 738 HB2 PHE 102 2HB PHE 102 -3.427 6.909 7.779 739 HB3 PHE 102 1HB PHE 102 -4.549 7.711 6.685 740 HD1 PHE 102 1HD PHE 102 -4.044 10.055 5.935 741 HD2 PHE 102 2HD PHE 102 -1.214 7.643 8.004 742 HE1 PHE 102 1HE PHE 102 -2.226 11.513 5.140 743 HE2 PHE 102 2HE PHE 102 0.609 9.098 7.220 744 HZ PHE 102 HZ PHE 102 0.105 11.035 5.784 745 HA PRO 103 HA PRO 103 -7.591 6.325 10.794 746 HB2 PRO 103 2HB PRO 103 -9.742 8.268 10.470 747 HB3 PRO 103 1HB PRO 103 -9.014 7.652 11.955 748 HG2 PRO 103 2HG PRO 103 -8.673 10.203 11.113 749 HG3 PRO 103 1HG PRO 103 -7.441 9.323 12.034 750 HD2 PRO 103 2HD PRO 103 -7.593 9.833 9.083 751 HD3 PRO 103 1HD PRO 103 -6.188 9.916 10.170 752 H GLY 104 HN GLY 104 -8.448 4.692 9.688 753 HA2 GLY 104 2HA GLY 104 -10.211 3.791 8.348 754 HA3 GLY 104 1HA GLY 104 -10.246 5.298 7.444 755 H PHE 105 HN PHE 105 -7.111 4.224 8.075 756 HA PHE 105 HA PHE 105 -6.898 3.116 5.359 757 HB2 PHE 105 2HB PHE 105 -4.916 4.656 7.038 758 HB3 PHE 105 1HB PHE 105 -4.448 3.771 5.592 759 HD1 PHE 105 1HD PHE 105 -6.948 6.326 6.679 760 HD2 PHE 105 2HD PHE 105 -4.357 4.923 3.610 761 HE1 PHE 105 1HE PHE 105 -7.517 8.284 5.309 762 HE2 PHE 105 2HE PHE 105 -4.924 6.882 2.235 763 HZ PHE 105 HZ PHE 105 -6.505 8.564 3.085 764 H THR 106 HN THR 106 -5.679 1.266 5.027 765 HA THR 106 HA THR 106 -5.225 -0.375 7.404 766 HB THR 106 HB THR 106 -5.033 -1.203 4.497 767 HG1 THR 106 1HG THR 106 -7.146 -0.483 4.964 768 HG21 THR 106 3HG2 THR 106 -5.378 -2.805 7.039 769 HG22 THR 106 1HG2 THR 106 -3.915 -2.722 6.054 770 HG23 THR 106 2HG2 THR 106 -5.378 -3.465 5.404 771 H TYR 107 HN TYR 107 -3.225 -0.859 8.131 772 HA TYR 107 HA TYR 107 -0.963 0.224 6.594 773 HB2 TYR 107 2HB TYR 107 -1.229 -0.326 9.556 774 HB3 TYR 107 1HB TYR 107 0.246 0.232 8.772 775 HD1 TYR 107 1HD TYR 107 -3.281 1.175 9.470 776 HD2 TYR 107 2HD TYR 107 0.609 2.524 8.379 777 HE1 TYR 107 1HE TYR 107 -4.008 3.502 9.770 778 HE2 TYR 107 2HE TYR 107 -0.117 4.857 8.674 779 HH TYR 107 HH TYR 107 -3.095 5.660 10.185 780 H VAL 108 HN VAL 108 0.050 -1.302 5.471 781 HA VAL 108 HA VAL 108 0.281 -4.003 6.598 782 HB VAL 108 HB VAL 108 0.978 -3.023 3.824 783 HG11 VAL 108 1HG1 VAL 108 1.109 -5.399 3.245 784 HG12 VAL 108 2HG1 VAL 108 0.811 -5.826 4.931 785 HG13 VAL 108 3HG1 VAL 108 2.289 -4.971 4.484 786 HG21 VAL 108 3HG2 VAL 108 -1.419 -2.911 4.277 787 HG22 VAL 108 1HG2 VAL 108 -1.405 -4.603 4.778 788 HG23 VAL 108 2HG2 VAL 108 -1.042 -4.174 3.105 789 H ILE 109 HN ILE 109 2.089 -4.629 7.530 790 HA ILE 109 HA ILE 109 4.566 -3.159 6.904 791 HB ILE 109 HB ILE 109 3.871 -4.421 9.565 792 HG12 ILE 109 2HG1 ILE 109 3.949 -1.498 8.774 793 HG13 ILE 109 1HG1 ILE 109 2.488 -2.425 9.087 794 HG21 ILE 109 1HG2 ILE 109 6.174 -2.655 8.738 795 HG22 ILE 109 2HG2 ILE 109 6.260 -4.386 9.056 796 HG23 ILE 109 3HG2 ILE 109 5.872 -3.270 10.364 797 HD11 ILE 109 3HD1 ILE 109 4.648 -1.802 11.084 798 HD12 ILE 109 1HD1 ILE 109 3.187 -2.738 11.405 799 HD13 ILE 109 2HD1 ILE 109 3.067 -1.029 10.980 800 H VAL 110 HN VAL 110 6.075 -4.372 5.996 801 HA VAL 110 HA VAL 110 5.789 -7.297 6.150 802 HB VAL 110 HB VAL 110 5.661 -6.413 3.880 803 HG11 VAL 110 1HG1 VAL 110 6.912 -4.359 4.139 804 HG12 VAL 110 2HG1 VAL 110 7.600 -5.320 2.829 805 HG13 VAL 110 3HG1 VAL 110 8.400 -5.270 4.399 806 HG21 VAL 110 3HG2 VAL 110 8.280 -7.836 4.344 807 HG22 VAL 110 1HG2 VAL 110 7.387 -7.771 2.826 808 HG23 VAL 110 2HG2 VAL 110 6.699 -8.607 4.218 809 H SER 111 HN SER 111 7.283 -8.543 6.942 810 HA SER 111 HA SER 111 9.524 -7.372 8.341 811 HB2 SER 111 2HB SER 111 8.572 -10.231 8.075 812 HB3 SER 111 1HB SER 111 9.751 -9.641 9.247 813 HG SER 111 HG SER 111 7.246 -8.411 9.167 814 H VAL 112 HN VAL 112 11.264 -6.907 7.042 815 HA VAL 112 HA VAL 112 12.082 -8.997 5.125 816 HB VAL 112 HB VAL 112 12.830 -6.068 5.048 817 HG11 VAL 112 1HG1 VAL 112 13.638 -6.600 2.782 818 HG12 VAL 112 2HG1 VAL 112 13.264 -8.301 3.067 819 HG13 VAL 112 3HG1 VAL 112 14.502 -7.496 4.032 820 HG21 VAL 112 3HG2 VAL 112 11.316 -5.890 3.128 821 HG22 VAL 112 1HG2 VAL 112 10.449 -6.348 4.596 822 HG23 VAL 112 2HG2 VAL 112 10.816 -7.565 3.373 823 H ARG 113 HN ARG 113 13.708 -10.163 5.851 824 HA ARG 113 HA ARG 113 15.544 -8.987 7.803 825 HB2 ARG 113 2HB ARG 113 14.517 -11.082 8.477 826 HB3 ARG 113 1HB ARG 113 15.065 -11.862 6.999 827 HG2 ARG 113 2HG ARG 113 17.368 -10.817 8.184 828 HG3 ARG 113 1HG ARG 113 16.429 -11.527 9.500 829 HD2 ARG 113 2HD ARG 113 16.475 -13.647 8.562 830 HD3 ARG 113 1HD ARG 113 16.817 -13.028 6.946 831 HE ARG 113 HE ARG 113 18.798 -12.995 9.133 832 HH11 ARG 113 1HH1 ARG 113 17.892 -13.505 5.803 833 HH12 ARG 113 2HH1 ARG 113 19.506 -13.858 5.265 834 HH21 ARG 113 1HH2 ARG 113 20.944 -13.458 8.446 835 HH22 ARG 113 2HH2 ARG 113 21.238 -13.849 6.779 836 H ASP 114 HN ASP 114 16.784 -7.760 6.415 837 HA ASP 114 HA ASP 114 18.597 -7.287 5.133 838 HB2 ASP 114 2HB ASP 114 19.551 -8.893 6.848 839 HB3 ASP 114 1HB ASP 114 19.430 -10.139 5.618 840 H GLY 115 HN GLY 115 16.217 -8.402 3.807 841 HA2 GLY 115 2HA GLY 115 16.149 -8.320 1.359 842 HA3 GLY 115 1HA GLY 115 17.559 -9.366 1.360 843 H ALA 116 HN ALA 116 15.927 -10.645 3.775 844 HA ALA 116 HA ALA 116 14.376 -12.423 2.022 845 HB1 ALA 116 1HB ALA 116 15.419 -12.935 4.806 846 HB2 ALA 116 2HB ALA 116 16.143 -13.520 3.309 847 HB3 ALA 116 3HB ALA 116 14.547 -14.089 3.797 848 HA PRO 117 HA PRO 117 10.930 -10.365 4.154 849 HB2 PRO 117 2HB PRO 117 9.309 -11.201 1.916 850 HB3 PRO 117 1HB PRO 117 9.785 -9.566 2.374 851 HG2 PRO 117 2HG PRO 117 10.678 -10.840 0.121 852 HG3 PRO 117 1HG PRO 117 11.566 -9.548 0.947 853 HD2 PRO 117 2HD PRO 117 11.974 -12.510 1.068 854 HD3 PRO 117 1HD PRO 117 13.179 -11.205 1.032 855 H GLU 118 HN GLU 118 10.249 -11.621 5.780 856 HA GLU 118 HA GLU 118 9.645 -14.425 5.255 857 HB2 GLU 118 2HB GLU 118 11.160 -13.864 7.112 858 HB3 GLU 118 1HB GLU 118 9.876 -12.946 7.880 859 HG2 GLU 118 2HG GLU 118 8.565 -14.950 8.173 860 HG3 GLU 118 1HG GLU 118 9.768 -15.894 7.299 861 H ALA 119 HN ALA 119 8.160 -11.947 7.327 862 HA ALA 119 HA ALA 119 5.561 -13.180 6.741 863 HB1 ALA 119 1HB ALA 119 4.852 -12.525 8.978 864 HB2 ALA 119 2HB ALA 119 6.435 -11.804 9.276 865 HB3 ALA 119 3HB ALA 119 6.290 -13.547 9.045 866 H LEU 120 HN LEU 120 3.875 -11.926 6.233 867 HA LEU 120 HA LEU 120 4.315 -9.011 6.105 868 HB2 LEU 120 2HB LEU 120 2.570 -10.785 4.388 869 HB3 LEU 120 1HB LEU 120 2.484 -9.036 4.368 870 HG LEU 120 HG LEU 120 4.971 -9.098 3.722 871 HD11 LEU 120 1HD1 LEU 120 5.392 -11.443 4.260 872 HD12 LEU 120 2HD1 LEU 120 5.712 -11.109 2.558 873 HD13 LEU 120 3HD1 LEU 120 4.229 -11.938 3.030 874 HD21 LEU 120 3HD2 LEU 120 3.169 -8.443 2.216 875 HD22 LEU 120 1HD2 LEU 120 2.888 -10.137 1.807 876 HD23 LEU 120 2HD2 LEU 120 4.410 -9.363 1.364 877 H THR 121 HN THR 121 3.070 -7.825 7.438 878 HA THR 121 HA THR 121 0.746 -9.184 8.632 879 HB THR 121 HB THR 121 1.197 -7.888 10.718 880 HG1 THR 121 1HG THR 121 3.222 -6.876 9.118 881 HG21 THR 121 3HG2 THR 121 3.059 -9.275 11.490 882 HG22 THR 121 1HG2 THR 121 3.457 -9.679 9.821 883 HG23 THR 121 2HG2 THR 121 1.928 -10.214 10.516 884 H ALA 122 HN ALA 122 -1.140 -8.084 8.681 885 HA ALA 122 HA ALA 122 -1.082 -5.314 7.710 886 HB1 ALA 122 1HB ALA 122 -2.290 -6.861 6.236 887 HB2 ALA 122 2HB ALA 122 -3.385 -5.677 6.952 888 HB3 ALA 122 3HB ALA 122 -3.339 -7.326 7.574 889 H TRP 123 HN TRP 123 -2.088 -3.749 8.812 890 HA TRP 123 HA TRP 123 -3.238 -4.470 11.419 891 HB2 TRP 123 2HB TRP 123 -1.234 -2.271 10.890 892 HB3 TRP 123 1HB TRP 123 -2.002 -2.611 12.434 893 HD1 TRP 123 1HD TRP 123 0.689 -3.977 10.056 894 HE1 TRP 123 1HE TRP 123 2.198 -5.593 11.398 895 HE3 TRP 123 3HE TRP 123 -2.035 -4.223 14.368 896 HZ2 TRP 123 2HZ TRP 123 2.222 -6.800 13.967 897 HZ3 TRP 123 3HZ TRP 123 -1.235 -5.642 16.200 898 HH2 TRP 123 2HH TRP 123 0.852 -6.905 16.006 899 H ALA 124 HN ALA 124 -4.961 -3.317 12.023 900 HA ALA 124 HA ALA 124 -5.837 -1.120 10.269 901 HB1 ALA 124 1HB ALA 124 -7.434 -2.959 10.529 902 HB2 ALA 124 2HB ALA 124 -8.062 -1.468 11.231 903 HB3 ALA 124 3HB ALA 124 -7.414 -2.732 12.276 904 H LEU 125 HN LEU 125 -6.000 0.915 11.040 905 HA LEU 125 HA LEU 125 -4.778 1.457 13.592 906 HB2 LEU 125 2HB LEU 125 -4.238 2.852 11.673 907 HB3 LEU 125 1HB LEU 125 -5.922 3.297 11.491 908 HG LEU 125 HG LEU 125 -5.814 4.406 13.726 909 HD11 LEU 125 1HD1 LEU 125 -3.618 4.902 14.671 910 HD12 LEU 125 2HD1 LEU 125 -2.855 3.891 13.446 911 HD13 LEU 125 3HD1 LEU 125 -3.923 3.163 14.646 912 HD21 LEU 125 3HD2 LEU 125 -5.602 5.682 11.655 913 HD22 LEU 125 1HD2 LEU 125 -3.862 5.393 11.646 914 HD23 LEU 125 2HD2 LEU 125 -4.589 6.365 12.926 915 H ALA 126 HN ALA 126 -5.769 1.938 15.441 916 HA ALA 126 HA ALA 126 -8.569 1.738 15.757 917 HB1 ALA 126 1HB ALA 126 -6.523 2.948 17.624 918 HB2 ALA 126 2HB ALA 126 -7.012 1.255 17.586 919 HB3 ALA 126 3HB ALA 126 -8.172 2.497 18.057 920 HA PRO 127 HA PRO 127 -10.114 5.636 14.425 921 HB2 PRO 127 2HB PRO 127 -11.699 5.615 16.949 922 HB3 PRO 127 1HB PRO 127 -12.242 5.834 15.281 923 HG2 PRO 127 2HG PRO 127 -12.641 3.527 16.537 924 HG3 PRO 127 1HG PRO 127 -12.184 3.559 14.825 925 HD2 PRO 127 2HD PRO 127 -10.531 2.898 17.218 926 HD3 PRO 127 1HD PRO 127 -10.481 2.208 15.583 927 H ASP 128 HN ASP 128 -9.296 5.396 17.867 928 HA ASP 128 HA ASP 128 -8.852 8.273 18.017 929 HB2 ASP 128 2HB ASP 128 -8.684 6.140 20.160 930 HB3 ASP 128 1HB ASP 128 -8.512 7.870 20.436 931 H ARG 129 HN ARG 129 -7.096 6.004 16.725 932 HA ARG 129 HA ARG 129 -4.900 5.572 16.373 933 HB2 ARG 129 2HB ARG 129 -4.734 8.356 17.499 934 HB3 ARG 129 1HB ARG 129 -3.281 7.464 17.073 935 HG2 ARG 129 2HG ARG 129 -3.518 8.031 14.950 936 HG3 ARG 129 1HG ARG 129 -5.127 7.307 14.902 937 HD2 ARG 129 2HD ARG 129 -4.572 10.071 15.966 938 HD3 ARG 129 1HD ARG 129 -5.016 9.746 14.291 939 HE ARG 129 HE ARG 129 -7.057 8.619 15.423 940 HH11 ARG 129 1HH1 ARG 129 -5.450 11.535 16.512 941 HH12 ARG 129 2HH1 ARG 129 -6.894 12.214 17.197 942 HH21 ARG 129 1HH2 ARG 129 -8.950 9.512 16.325 943 HH22 ARG 129 2HH2 ARG 129 -8.873 11.055 17.131 944 H SER 130 HN SER 130 -6.235 4.870 18.918 945 HA SER 130 HA SER 130 -4.489 5.060 21.096 946 HB2 SER 130 2HB SER 130 -6.302 2.701 20.690 947 HB3 SER 130 1HB SER 130 -5.969 3.608 22.168 948 HG SER 130 HG SER 130 -7.386 5.116 21.600 949 H GLU 131 HN GLU 131 -4.743 2.726 18.478 950 HA GLU 131 HA GLU 131 -2.121 1.720 18.820 951 HB2 GLU 131 2HB GLU 131 -2.640 -0.541 19.565 952 HB3 GLU 131 1HB GLU 131 -3.188 0.618 20.769 953 HG2 GLU 131 2HG GLU 131 -5.467 0.398 19.999 954 HG3 GLU 131 1HG GLU 131 -4.952 -0.667 18.694 955 H PHE 132 HN PHE 132 -2.043 -0.540 17.579 956 HA PHE 132 HA PHE 132 -3.756 -0.331 15.204 957 HB2 PHE 132 2HB PHE 132 -1.060 -1.628 15.626 958 HB3 PHE 132 1HB PHE 132 -2.052 -1.952 14.210 959 HD1 PHE 132 2HD PHE 132 -2.779 0.096 12.822 960 HD2 PHE 132 1HD PHE 132 0.427 0.128 15.614 961 HE1 PHE 132 2HE PHE 132 -1.816 2.054 11.688 962 HE2 PHE 132 1HE PHE 132 1.395 2.089 14.487 963 HZ PHE 132 HZ PHE 132 0.275 3.052 12.518 964 H HIS 133 HN HIS 133 -4.671 -2.317 14.383 965 HA HIS 133 HA HIS 133 -4.840 -4.438 16.419 966 HB2 HIS 133 2HB HIS 133 -6.976 -3.261 14.681 967 HB3 HIS 133 1HB HIS 133 -7.102 -4.933 15.185 968 HD1 HIS 133 1HD HIS 133 -8.259 -5.323 17.327 969 HD2 HIS 133 2HD HIS 133 -6.824 -1.423 17.029 970 HE1 HIS 133 1HE HIS 133 -9.076 -4.138 19.385 971 HE2 HIS 133 2HE HIS 133 -8.014 -1.860 19.296 972 H ARG 134 HN ARG 134 -4.660 -6.461 15.775 973 HA ARG 134 HA ARG 134 -3.121 -6.769 13.363 974 HB2 ARG 134 2HB ARG 134 -2.311 -7.757 15.414 975 HB3 ARG 134 1HB ARG 134 -3.789 -8.688 15.590 976 HG2 ARG 134 2HG ARG 134 -2.027 -10.109 14.805 977 HG3 ARG 134 1HG ARG 134 -3.230 -9.917 13.543 978 HD2 ARG 134 2HD ARG 134 -1.834 -8.662 12.213 979 HD3 ARG 134 1HD ARG 134 -0.866 -8.106 13.579 980 HE ARG 134 HE ARG 134 0.395 -10.038 13.469 981 HH11 ARG 134 1HH1 ARG 134 -2.265 -10.255 11.199 982 HH12 ARG 134 2HH1 ARG 134 -1.679 -11.719 10.466 983 HH21 ARG 134 1HH2 ARG 134 1.177 -11.921 12.483 984 HH22 ARG 134 2HH2 ARG 134 0.302 -12.633 11.163 985 H GLU 135 HN GLU 135 -3.649 -7.785 11.593 986 HA GLU 135 HA GLU 135 -5.960 -9.543 11.485 987 HB2 GLU 135 2HB GLU 135 -6.830 -7.282 10.958 988 HB3 GLU 135 1HB GLU 135 -5.655 -7.142 9.659 989 HG2 GLU 135 2HG GLU 135 -6.720 -8.848 8.405 990 HG3 GLU 135 1HG GLU 135 -7.751 -9.292 9.767 991 H ASP 136 HN ASP 136 -5.934 -10.860 9.538 992 HA ASP 136 HA ASP 136 -3.218 -11.083 8.442 993 HB2 ASP 136 2HB ASP 136 -5.374 -13.175 8.774 994 HB3 ASP 136 1HB ASP 136 -3.887 -13.447 7.870 995 H ILE 137 HN ILE 137 -3.295 -12.200 6.177 996 HA ILE 137 HA ILE 137 -4.720 -10.274 4.567 997 HB ILE 137 HB ILE 137 -2.775 -12.430 3.742 998 HG12 ILE 137 2HG1 ILE 137 -1.732 -10.741 5.181 999 HG13 ILE 137 1HG1 ILE 137 -1.152 -10.596 3.526 1000 HG21 ILE 137 1HG2 ILE 137 -3.962 -10.147 2.184 1001 HG22 ILE 137 2HG2 ILE 137 -4.163 -11.873 1.881 1002 HG23 ILE 137 3HG2 ILE 137 -2.589 -11.112 1.647 1003 HD11 ILE 137 3HD1 ILE 137 -1.567 -8.423 4.526 1004 HD12 ILE 137 1HD1 ILE 137 -3.248 -8.870 4.814 1005 HD13 ILE 137 2HD1 ILE 137 -2.648 -8.713 3.163 1006 H VAL 138 HN VAL 138 -6.653 -10.635 3.760 1007 HA VAL 138 HA VAL 138 -7.458 -13.406 3.225 1008 HB VAL 138 HB VAL 138 -9.807 -12.496 3.195 1009 HG11 VAL 138 1HG1 VAL 138 -10.013 -12.457 5.640 1010 HG12 VAL 138 2HG1 VAL 138 -8.265 -12.270 5.780 1011 HG13 VAL 138 3HG1 VAL 138 -8.943 -13.748 5.096 1012 HG21 VAL 138 3HG2 VAL 138 -9.277 -10.140 2.871 1013 HG22 VAL 138 1HG2 VAL 138 -8.502 -10.090 4.455 1014 HG23 VAL 138 2HG2 VAL 138 -10.237 -10.382 4.330 1015 H ARG 139 HN ARG 139 -8.370 -13.934 1.288 1016 HA ARG 139 HA ARG 139 -7.635 -12.203 -0.928 1017 HB2 ARG 139 2HB ARG 139 -8.420 -15.099 -0.671 1018 HB3 ARG 139 1HB ARG 139 -8.279 -14.313 -2.235 1019 HG2 ARG 139 2HG ARG 139 -6.010 -14.167 -2.117 1020 HG3 ARG 139 1HG ARG 139 -6.001 -14.073 -0.356 1021 HD2 ARG 139 2HD ARG 139 -6.771 -16.580 -1.820 1022 HD3 ARG 139 1HD ARG 139 -5.095 -16.204 -1.420 1023 HE ARG 139 HE ARG 139 -6.344 -15.939 0.958 1024 HH11 ARG 139 1HH1 ARG 139 -6.400 -18.483 -1.440 1025 HH12 ARG 139 2HH1 ARG 139 -6.589 -19.758 -0.276 1026 HH21 ARG 139 1HH2 ARG 139 -6.554 -17.592 2.499 1027 HH22 ARG 139 2HH2 ARG 139 -6.636 -19.250 1.974 1028 HA PRO 140 HA PRO 140 -11.774 -10.970 -1.840 1029 HB2 PRO 140 2HB PRO 140 -11.812 -11.051 -4.568 1030 HB3 PRO 140 1HB PRO 140 -11.077 -9.763 -3.615 1031 HG2 PRO 140 2HG PRO 140 -9.786 -12.073 -4.989 1032 HG3 PRO 140 1HG PRO 140 -9.211 -10.406 -4.821 1033 HD2 PRO 140 2HD PRO 140 -8.280 -12.474 -3.315 1034 HD3 PRO 140 1HD PRO 140 -8.325 -10.795 -2.743 1035 H ASP 141 HN ASP 141 -12.652 -12.823 -0.917 1036 HA ASP 141 HA ASP 141 -14.029 -14.545 -2.851 1037 HB2 ASP 141 2HB ASP 141 -12.419 -15.435 -0.470 1038 HB3 ASP 141 1HB ASP 141 -13.789 -16.389 -1.016 1039 HA PRO 142 HA PRO 142 -16.879 -12.697 0.255 1040 HB2 PRO 142 2HB PRO 142 -18.599 -11.824 -1.843 1041 HB3 PRO 142 1HB PRO 142 -17.531 -10.835 -0.849 1042 HG2 PRO 142 2HG PRO 142 -17.228 -11.283 -3.570 1043 HG3 PRO 142 1HG PRO 142 -15.958 -10.709 -2.477 1044 HD2 PRO 142 2HD PRO 142 -16.450 -13.459 -3.536 1045 HD3 PRO 142 1HD PRO 142 -14.913 -12.629 -3.210 1046 H GLU 143 HN GLU 143 -16.824 -15.423 -0.527 1047 HA GLU 143 HA GLU 143 -19.653 -16.020 -1.085 1048 HB2 GLU 143 2HB GLU 143 -17.213 -17.770 -1.399 1049 HB3 GLU 143 1HB GLU 143 -18.862 -18.243 -1.783 1050 HG2 GLU 143 2HG GLU 143 -18.974 -16.570 -3.521 1051 HG3 GLU 143 1HG GLU 143 -17.366 -15.986 -3.094 1052 H ALA 144 HN ALA 144 -17.365 -15.960 1.355 1053 HA ALA 144 HA ALA 144 -18.310 -18.195 2.891 1054 HB1 ALA 144 1HB ALA 144 -16.010 -17.373 3.124 1055 HB2 ALA 144 2HB ALA 144 -16.874 -17.326 4.661 1056 HB3 ALA 144 3HB ALA 144 -16.623 -15.840 3.748 1057 HA PRO 145 HA PRO 145 -21.932 -16.391 4.667 1058 HB2 PRO 145 2HB PRO 145 -21.193 -17.917 7.096 1059 HB3 PRO 145 1HB PRO 145 -22.674 -17.979 6.135 1060 HG2 PRO 145 2HG PRO 145 -20.860 -19.948 6.041 1061 HG3 PRO 145 1HG PRO 145 -21.780 -19.458 4.607 1062 HD2 PRO 145 2HD PRO 145 -18.946 -18.872 5.332 1063 HD3 PRO 145 1HD PRO 145 -19.667 -19.187 3.742 1064 H LEU 146 HN LEU 146 -22.528 -14.812 6.131 1065 HA LEU 146 HA LEU 146 -20.507 -13.056 7.015 1066 HB2 LEU 146 2HB LEU 146 -23.420 -13.185 7.801 1067 HB3 LEU 146 1HB LEU 146 -22.350 -11.839 8.119 1068 HG LEU 146 HG LEU 146 -23.199 -12.800 5.397 1069 HD11 LEU 146 1HD1 LEU 146 -24.397 -10.660 5.287 1070 HD12 LEU 146 2HD1 LEU 146 -23.943 -10.332 6.960 1071 HD13 LEU 146 3HD1 LEU 146 -25.002 -11.692 6.584 1072 HD21 LEU 146 3HD2 LEU 146 -21.484 -10.450 6.195 1073 HD22 LEU 146 1HD2 LEU 146 -22.055 -10.803 4.563 1074 HD23 LEU 146 2HD2 LEU 146 -20.934 -11.904 5.364 1075 H GLU 147 HN GLU 147 -19.940 -12.457 9.147 1076 HA GLU 147 HA GLU 147 -19.234 -14.603 10.767 1077 HB2 GLU 147 2HB GLU 147 -18.050 -12.438 10.700 1078 HB3 GLU 147 1HB GLU 147 -19.420 -11.679 11.500 1079 HG2 GLU 147 2HG GLU 147 -19.058 -13.173 13.430 1080 HG3 GLU 147 1HG GLU 147 -17.611 -13.791 12.638 1081 H HIS 148 HN HIS 148 -21.515 -11.978 11.575 1082 HA HIS 148 HA HIS 148 -23.126 -11.813 13.165 1083 HB2 HIS 148 2HB HIS 148 -23.593 -14.554 12.046 1084 HB3 HIS 148 1HB HIS 148 -24.545 -14.006 13.423 1085 HD1 HIS 148 1HD HIS 148 -24.627 -14.065 9.849 1086 HD2 HIS 148 2HD HIS 148 -25.813 -11.363 12.782 1087 HE1 HIS 148 1HE HIS 148 -26.301 -12.552 8.744 1088 HE2 HIS 148 2HE HIS 148 -27.149 -11.063 10.594 1089 H HIS 149 HN HIS 149 -21.396 -11.570 14.725 1090 HA HIS 149 HA HIS 149 -20.411 -13.709 16.278 1091 HB2 HIS 149 2HB HIS 149 -19.895 -10.992 16.061 1092 HB3 HIS 149 1HB HIS 149 -20.553 -11.152 17.684 1093 HD1 HIS 149 1HD HIS 149 -17.531 -11.652 15.704 1094 HD2 HIS 149 2HD HIS 149 -19.016 -12.978 19.361 1095 HE1 HIS 149 1HE HIS 149 -15.542 -12.566 16.954 1096 HE2 HIS 149 2HE HIS 149 -16.474 -13.449 19.129 1097 H HIS 150 HN HIS 150 -21.892 -15.022 17.197 1098 HA HIS 150 HA HIS 150 -24.140 -13.847 18.653 1099 HB2 HIS 150 2HB HIS 150 -23.539 -16.634 17.691 1100 HB3 HIS 150 1HB HIS 150 -24.813 -16.326 18.862 1101 HD1 HIS 150 1HD HIS 150 -24.289 -16.618 15.328 1102 HD2 HIS 150 2HD HIS 150 -26.748 -14.318 17.775 1103 HE1 HIS 150 1HE HIS 150 -26.159 -15.814 13.851 1104 HE2 HIS 150 2HE HIS 150 -27.527 -14.274 15.308 1105 H HIS 151 HN HIS 151 -21.033 -14.950 19.283 1106 HA HIS 151 HA HIS 151 -21.753 -15.339 22.112 1107 HB2 HIS 151 2HB HIS 151 -19.792 -16.793 20.409 1108 HB3 HIS 151 1HB HIS 151 -19.362 -16.505 22.091 1109 HD1 HIS 151 1HD HIS 151 -21.294 -18.748 19.954 1110 HD2 HIS 151 2HD HIS 151 -21.301 -17.626 23.963 1111 HE1 HIS 151 1HE HIS 151 -22.625 -20.517 21.157 1112 HE2 HIS 151 2HE HIS 151 -22.732 -19.744 23.554 1113 H HIS 152 HN HIS 152 -21.476 -13.364 22.918 1114 HA HIS 152 HA HIS 152 -19.146 -11.764 22.386 1115 HB2 HIS 152 2HB HIS 152 -21.241 -10.685 22.993 1116 HB3 HIS 152 1HB HIS 152 -21.305 -11.577 24.506 1117 HD1 HIS 152 1HD HIS 152 -19.879 -8.539 22.934 1118 HD2 HIS 152 2HD HIS 152 -19.472 -10.662 26.493 1119 HE1 HIS 152 1HE HIS 152 -18.698 -6.987 24.527 1120 HE2 HIS 152 2HE HIS 152 -18.597 -8.238 26.715 1121 H HIS 153 HN HIS 153 -20.091 -14.233 24.606 1122 HA HIS 153 HA HIS 153 -17.550 -13.918 26.062 1123 HB2 HIS 153 2HB HIS 153 -19.596 -13.637 27.453 1124 HB3 HIS 153 1HB HIS 153 -20.088 -15.268 27.011 1125 HD1 HIS 153 1HD HIS 153 -18.993 -17.208 28.237 1126 HD2 HIS 153 2HD HIS 153 -17.381 -13.501 29.221 1127 HE1 HIS 153 1HE HIS 153 -17.553 -17.606 30.262 1128 HE2 HIS 153 2HE HIS 153 -16.778 -15.314 30.965 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -8.649 -8.530 5.189 2 H2 MET 1 H2 MET 1 -10.155 -7.811 4.889 3 H3 MET 1 H3 MET 1 -8.999 -7.005 5.837 4 HA MET 1 HA MET 1 -9.207 -6.123 3.557 5 HB2 MET 1 2HB MET 1 -7.175 -5.709 4.766 6 HB3 MET 1 1HB MET 1 -6.595 -7.345 4.492 7 HG2 MET 1 2HG MET 1 -6.436 -6.842 2.079 8 HG3 MET 1 1HG MET 1 -6.913 -5.182 2.425 9 HE1 MET 1 2HE MET 1 -4.202 -6.264 0.911 10 HE2 MET 1 3HE MET 1 -3.019 -5.118 1.541 11 HE3 MET 1 1HE MET 1 -4.613 -4.555 1.037 12 H LYS 2 HN LYS 2 -9.480 -6.559 1.472 13 HA LYS 2 HA LYS 2 -9.031 -9.300 0.526 14 HB2 LYS 2 2HB LYS 2 -10.957 -7.186 -0.105 15 HB3 LYS 2 1HB LYS 2 -10.276 -7.958 -1.528 16 HG2 LYS 2 2HG LYS 2 -12.264 -9.111 -1.010 17 HG3 LYS 2 1HG LYS 2 -10.940 -10.160 -0.522 18 HD2 LYS 2 2HD LYS 2 -11.316 -9.780 1.747 19 HD3 LYS 2 1HD LYS 2 -12.237 -8.306 1.437 20 HE2 LYS 2 2HE LYS 2 -13.687 -10.159 2.129 21 HE3 LYS 2 1HE LYS 2 -14.059 -9.596 0.502 22 HZ1 LYS 2 3HZ LYS 2 -12.994 -12.155 1.385 23 HZ2 LYS 2 1HZ LYS 2 -12.352 -11.541 -0.061 24 HZ3 LYS 2 2HZ LYS 2 -14.021 -11.791 0.081 25 H THR 3 HN THR 3 -7.290 -9.711 -0.626 26 HA THR 3 HA THR 3 -6.484 -7.938 -2.737 27 HB THR 3 HB THR 3 -5.298 -7.003 -0.718 28 HG1 THR 3 1HG THR 3 -4.414 -6.638 -2.762 29 HG21 THR 3 3HG2 THR 3 -3.356 -8.223 0.135 30 HG22 THR 3 1HG2 THR 3 -3.786 -9.609 -0.868 31 HG23 THR 3 2HG2 THR 3 -4.851 -9.107 0.445 32 H THR 4 HN THR 4 -4.546 -8.945 -3.932 33 HA THR 4 HA THR 4 -5.104 -11.818 -4.095 34 HB THR 4 HB THR 4 -3.892 -11.588 -6.329 35 HG1 THR 4 1HG THR 4 -3.928 -9.364 -7.120 36 HG21 THR 4 3HG2 THR 4 -5.864 -10.650 -7.452 37 HG22 THR 4 1HG2 THR 4 -6.445 -10.032 -5.906 38 HG23 THR 4 2HG2 THR 4 -6.322 -11.771 -6.170 39 HA PRO 5 HA PRO 5 -1.103 -13.182 -2.735 40 HB2 PRO 5 2HB PRO 5 -0.599 -14.954 -4.847 41 HB3 PRO 5 1HB PRO 5 -1.409 -15.342 -3.331 42 HG2 PRO 5 2HG PRO 5 -2.569 -14.735 -5.998 43 HG3 PRO 5 1HG PRO 5 -3.152 -15.837 -4.739 44 HD2 PRO 5 2HD PRO 5 -4.312 -13.457 -5.184 45 HD3 PRO 5 1HD PRO 5 -4.182 -14.142 -3.552 46 H ASP 6 HN ASP 6 -1.586 -12.274 -6.107 47 HA ASP 6 HA ASP 6 1.099 -11.875 -6.820 48 HB2 ASP 6 2HB ASP 6 -0.643 -11.918 -8.506 49 HB3 ASP 6 1HB ASP 6 -1.376 -10.479 -7.816 50 H ILE 7 HN ILE 7 -1.294 -9.616 -5.475 51 HA ILE 7 HA ILE 7 0.419 -7.381 -5.349 52 HB ILE 7 HB ILE 7 -1.995 -8.053 -3.659 53 HG12 ILE 7 2HG1 ILE 7 -2.501 -7.838 -6.038 54 HG13 ILE 7 1HG1 ILE 7 -3.169 -6.475 -5.142 55 HG21 ILE 7 1HG2 ILE 7 -0.554 -6.431 -2.524 56 HG22 ILE 7 2HG2 ILE 7 -2.073 -5.703 -3.046 57 HG23 ILE 7 3HG2 ILE 7 -0.592 -5.402 -3.956 58 HD11 ILE 7 3HD1 ILE 7 -1.261 -5.105 -5.867 59 HD12 ILE 7 1HD1 ILE 7 -2.200 -5.730 -7.222 60 HD13 ILE 7 2HD1 ILE 7 -0.656 -6.473 -6.803 61 H LEU 8 HN LEU 8 -0.379 -9.894 -2.975 62 HA LEU 8 HA LEU 8 1.175 -8.977 -0.844 63 HB2 LEU 8 2HB LEU 8 0.532 -11.810 -1.660 64 HB3 LEU 8 1HB LEU 8 1.227 -11.358 -0.115 65 HG LEU 8 HG LEU 8 -1.488 -10.487 -1.114 66 HD11 LEU 8 1HD1 LEU 8 -0.732 -12.533 0.968 67 HD12 LEU 8 2HD1 LEU 8 -1.402 -12.878 -0.627 68 HD13 LEU 8 3HD1 LEU 8 -2.370 -12.015 0.567 69 HD21 LEU 8 3HD2 LEU 8 -0.151 -10.132 1.567 70 HD22 LEU 8 1HD2 LEU 8 -1.805 -9.669 1.166 71 HD23 LEU 8 2HD2 LEU 8 -0.448 -8.861 0.381 72 H ASP 9 HN ASP 9 2.042 -11.012 -3.598 73 HA ASP 9 HA ASP 9 4.709 -11.512 -2.793 74 HB2 ASP 9 2HB ASP 9 3.440 -12.804 -4.525 75 HB3 ASP 9 1HB ASP 9 3.636 -11.438 -5.616 76 H GLN 10 HN GLN 10 3.243 -9.083 -4.923 77 HA GLN 10 HA GLN 10 5.547 -7.729 -5.687 78 HB2 GLN 10 2HB GLN 10 2.725 -6.788 -5.263 79 HB3 GLN 10 1HB GLN 10 3.990 -5.680 -5.774 80 HG2 GLN 10 2HG GLN 10 4.423 -7.265 -7.685 81 HG3 GLN 10 1HG GLN 10 2.929 -8.077 -7.226 82 HE21 GLN 10 1HE2 GLN 10 0.975 -7.117 -7.659 83 HE22 GLN 10 2HE2 GLN 10 0.817 -5.670 -8.593 84 H ILE 11 HN ILE 11 3.664 -7.442 -2.719 85 HA ILE 11 HA ILE 11 4.929 -5.205 -1.612 86 HB ILE 11 HB ILE 11 3.852 -7.646 -0.182 87 HG12 ILE 11 2HG1 ILE 11 2.581 -4.950 -0.718 88 HG13 ILE 11 1HG1 ILE 11 2.205 -6.432 -1.587 89 HG21 ILE 11 1HG2 ILE 11 3.724 -6.220 1.805 90 HG22 ILE 11 2HG2 ILE 11 4.488 -4.906 0.911 91 HG23 ILE 11 3HG2 ILE 11 5.388 -6.386 1.241 92 HD11 ILE 11 3HD1 ILE 11 1.371 -7.428 0.484 93 HD12 ILE 11 1HD1 ILE 11 0.516 -5.940 0.076 94 HD13 ILE 11 2HD1 ILE 11 1.742 -5.933 1.344 95 H ARG 12 HN ARG 12 5.768 -8.639 -1.397 96 HA ARG 12 HA ARG 12 8.054 -8.309 0.226 97 HB2 ARG 12 2HB ARG 12 7.362 -10.516 -1.721 98 HB3 ARG 12 1HB ARG 12 8.659 -10.595 -0.536 99 HG2 ARG 12 2HG ARG 12 6.980 -10.335 1.259 100 HG3 ARG 12 1HG ARG 12 5.710 -10.382 0.033 101 HD2 ARG 12 2HD ARG 12 7.727 -12.569 0.541 102 HD3 ARG 12 1HD ARG 12 6.065 -12.564 1.129 103 HE ARG 12 HE ARG 12 6.614 -12.444 -1.757 104 HH11 ARG 12 1HH1 ARG 12 5.319 -14.137 1.016 105 HH12 ARG 12 2HH1 ARG 12 4.393 -15.259 0.059 106 HH21 ARG 12 1HH2 ARG 12 5.431 -13.928 -3.026 107 HH22 ARG 12 2HH2 ARG 12 4.463 -15.144 -2.232 108 H VAL 13 HN VAL 13 7.664 -8.570 -3.289 109 HA VAL 13 HA VAL 13 10.446 -8.512 -3.843 110 HB VAL 13 HB VAL 13 8.134 -7.849 -5.672 111 HG11 VAL 13 1HG1 VAL 13 9.700 -8.378 -7.492 112 HG12 VAL 13 2HG1 VAL 13 10.999 -8.550 -6.314 113 HG13 VAL 13 3HG1 VAL 13 10.227 -6.982 -6.552 114 HG21 VAL 13 3HG2 VAL 13 9.620 -10.439 -5.241 115 HG22 VAL 13 1HG2 VAL 13 8.376 -10.156 -6.459 116 HG23 VAL 13 2HG2 VAL 13 7.962 -10.094 -4.747 117 H HIS 14 HN HIS 14 7.924 -5.983 -3.978 118 HA HIS 14 HA HIS 14 9.667 -3.991 -4.995 119 HB2 HIS 14 2HB HIS 14 6.962 -4.147 -4.667 120 HB3 HIS 14 1HB HIS 14 7.401 -3.015 -3.392 121 HD1 HIS 14 1HD HIS 14 6.542 -3.106 -6.862 122 HD2 HIS 14 2HD HIS 14 9.132 -0.828 -4.533 123 HE1 HIS 14 1HE HIS 14 7.021 -1.031 -8.202 124 HE2 HIS 14 2HE HIS 14 8.807 0.171 -6.896 125 H GLY 15 HN GLY 15 8.937 -5.089 -1.756 126 HA2 GLY 15 2HA GLY 15 10.105 -2.962 -0.316 127 HA3 GLY 15 1HA GLY 15 9.963 -4.623 0.246 128 H ALA 16 HN ALA 16 11.484 -5.942 -1.629 129 HA ALA 16 HA ALA 16 14.143 -5.369 -0.753 130 HB1 ALA 16 1HB ALA 16 14.779 -7.258 -2.164 131 HB2 ALA 16 2HB ALA 16 13.172 -7.271 -2.888 132 HB3 ALA 16 3HB ALA 16 13.372 -7.660 -1.179 133 H ASP 17 HN ASP 17 12.234 -4.675 -3.555 134 HA ASP 17 HA ASP 17 14.218 -3.909 -5.384 135 HB2 ASP 17 2HB ASP 17 11.843 -4.281 -5.942 136 HB3 ASP 17 1HB ASP 17 11.416 -2.827 -5.064 137 H ALA 18 HN ALA 18 12.572 -2.176 -2.849 138 HA ALA 18 HA ALA 18 13.550 0.408 -3.468 139 HB1 ALA 18 1HB ALA 18 11.555 0.034 -2.102 140 HB2 ALA 18 2HB ALA 18 12.738 1.044 -1.273 141 HB3 ALA 18 3HB ALA 18 12.564 -0.652 -0.827 142 H TYR 19 HN TYR 19 14.756 -2.176 -1.399 143 HA TYR 19 HA TYR 19 16.727 -0.596 -0.086 144 HB2 TYR 19 2HB TYR 19 16.475 -3.600 -0.390 145 HB3 TYR 19 1HB TYR 19 17.625 -2.798 0.674 146 HD1 TYR 19 1HD TYR 19 15.605 -0.544 1.455 147 HD2 TYR 19 2HD TYR 19 15.376 -4.792 1.401 148 HE1 TYR 19 1HE TYR 19 13.902 -0.466 3.225 149 HE2 TYR 19 2HE TYR 19 13.667 -4.723 3.167 150 HH TYR 19 HH TYR 19 12.955 -3.188 4.983 151 HA PRO 20 HA PRO 20 18.922 -1.424 0.819 152 HB2 PRO 20 2HB PRO 20 21.219 0.270 0.325 153 HB3 PRO 20 1HB PRO 20 21.173 -1.367 0.978 154 HG2 PRO 20 2HG PRO 20 22.202 -0.754 -1.469 155 HG3 PRO 20 1HG PRO 20 21.491 -2.329 -1.073 156 HD2 PRO 20 2HD PRO 20 20.283 -0.021 -2.552 157 HD3 PRO 20 1HD PRO 20 20.177 -1.761 -2.895 158 H GLU 21 HN GLU 21 18.154 0.972 -1.398 159 HA GLU 21 HA GLU 21 18.336 3.258 0.322 160 HB2 GLU 21 2HB GLU 21 16.622 2.851 -2.135 161 HB3 GLU 21 1HB GLU 21 17.002 4.389 -1.376 162 HG2 GLU 21 2HG GLU 21 19.381 4.026 -1.902 163 HG3 GLU 21 1HG GLU 21 18.939 2.543 -2.747 164 H GLU 22 HN GLU 22 15.944 4.507 0.321 165 HA GLU 22 HA GLU 22 14.029 2.587 1.426 166 HB2 GLU 22 2HB GLU 22 13.528 4.308 3.249 167 HB3 GLU 22 1HB GLU 22 14.982 3.343 3.418 168 HG2 GLU 22 2HG GLU 22 15.668 5.464 4.017 169 HG3 GLU 22 1HG GLU 22 16.190 5.326 2.341 170 H GLY 23 HN GLY 23 11.978 4.193 2.135 171 HA2 GLY 23 2HA GLY 23 10.651 6.008 1.138 172 HA3 GLY 23 1HA GLY 23 11.336 5.544 -0.412 173 H CYS 24 HN CYS 24 9.017 4.802 2.039 174 HA CYS 24 HA CYS 24 8.096 2.352 0.844 175 HB2 CYS 24 2HB CYS 24 6.907 4.065 3.036 176 HB3 CYS 24 1HB CYS 24 6.328 2.469 2.578 177 HG CYS 24 HG CYS 24 9.296 1.730 3.086 178 H GLY 25 HN GLY 25 5.289 2.658 1.084 179 HA2 GLY 25 2HA GLY 25 4.552 4.817 -0.722 180 HA3 GLY 25 1HA GLY 25 4.448 3.199 -1.398 181 H PHE 26 HN PHE 26 2.165 4.018 -1.618 182 HA PHE 26 HA PHE 26 0.640 3.605 0.868 183 HB2 PHE 26 2HB PHE 26 -0.096 5.246 -1.569 184 HB3 PHE 26 1HB PHE 26 -1.139 4.985 -0.176 185 HD1 PHE 26 2HD PHE 26 -0.676 6.065 1.944 186 HD2 PHE 26 1HD PHE 26 1.769 6.755 -1.467 187 HE1 PHE 26 2HE PHE 26 0.288 8.043 3.042 188 HE2 PHE 26 1HE PHE 26 2.740 8.735 -0.379 189 HZ PHE 26 HZ PHE 26 1.998 9.381 1.883 190 H LEU 27 HN LEU 27 -1.517 2.654 0.579 191 HA LEU 27 HA LEU 27 -1.437 0.493 -1.396 192 HB2 LEU 27 2HB LEU 27 -3.294 0.951 0.948 193 HB3 LEU 27 1HB LEU 27 -3.304 -0.459 -0.092 194 HG LEU 27 HG LEU 27 -0.992 0.336 1.678 195 HD11 LEU 27 1HD1 LEU 27 -1.708 -1.525 3.092 196 HD12 LEU 27 2HD1 LEU 27 -3.124 -1.761 2.066 197 HD13 LEU 27 3HD1 LEU 27 -2.948 -0.273 2.997 198 HD21 LEU 27 3HD2 LEU 27 -0.344 -0.972 -0.285 199 HD22 LEU 27 1HD2 LEU 27 -1.554 -2.188 0.124 200 HD23 LEU 27 2HD2 LEU 27 -0.180 -1.916 1.196 201 H LEU 28 HN LEU 28 -2.594 0.637 -3.216 202 HA LEU 28 HA LEU 28 -4.701 2.684 -3.341 203 HB2 LEU 28 2HB LEU 28 -3.310 1.283 -5.621 204 HB3 LEU 28 1HB LEU 28 -4.409 2.643 -5.747 205 HG LEU 28 HG LEU 28 -1.654 2.681 -4.510 206 HD11 LEU 28 1HD1 LEU 28 -2.737 3.935 -7.029 207 HD12 LEU 28 2HD1 LEU 28 -1.600 2.588 -6.934 208 HD13 LEU 28 3HD1 LEU 28 -1.124 4.189 -6.367 209 HD21 LEU 28 3HD2 LEU 28 -1.995 5.095 -4.279 210 HD22 LEU 28 1HD2 LEU 28 -3.146 4.179 -3.307 211 HD23 LEU 28 2HD2 LEU 28 -3.661 4.908 -4.826 212 H GLY 29 HN GLY 29 -6.772 2.121 -3.656 213 HA2 GLY 29 2HA GLY 29 -7.691 -0.116 -5.040 214 HA3 GLY 29 1HA GLY 29 -7.542 -0.584 -3.353 215 H THR 30 HN THR 30 -9.690 -0.800 -2.927 216 HA THR 30 HA THR 30 -11.230 1.702 -2.876 217 HB THR 30 HB THR 30 -13.270 0.153 -3.429 218 HG1 THR 30 1HG THR 30 -11.037 -1.265 -4.460 219 HG21 THR 30 3HG2 THR 30 -13.037 0.683 -5.816 220 HG22 THR 30 1HG2 THR 30 -11.334 1.064 -5.561 221 HG23 THR 30 2HG2 THR 30 -12.581 2.052 -4.802 222 H VAL 31 HN VAL 31 -12.829 1.824 -1.266 223 HA VAL 31 HA VAL 31 -12.424 0.030 0.995 224 HB VAL 31 HB VAL 31 -14.200 2.470 0.776 225 HG11 VAL 31 1HG1 VAL 31 -14.224 2.411 3.224 226 HG12 VAL 31 2HG1 VAL 31 -13.260 0.936 3.200 227 HG13 VAL 31 3HG1 VAL 31 -14.896 0.927 2.544 228 HG21 VAL 31 3HG2 VAL 31 -11.859 3.059 0.459 229 HG22 VAL 31 1HG2 VAL 31 -11.430 2.193 1.934 230 HG23 VAL 31 2HG2 VAL 31 -12.441 3.635 2.021 231 H THR 32 HN THR 32 -13.744 -1.641 1.397 232 HA THR 32 HA THR 32 -16.255 -1.736 -0.118 233 HB THR 32 HB THR 32 -14.930 -3.403 -1.045 234 HG1 THR 32 1HG THR 32 -16.845 -4.394 -0.702 235 HG21 THR 32 3HG2 THR 32 -14.172 -4.286 1.739 236 HG22 THR 32 1HG2 THR 32 -13.125 -3.455 0.588 237 HG23 THR 32 2HG2 THR 32 -13.690 -5.090 0.245 238 H ASP 33 HN ASP 33 -17.935 -1.477 1.040 239 HA ASP 33 HA ASP 33 -19.630 -1.893 2.469 240 HB2 ASP 33 2HB ASP 33 -19.258 -4.170 1.615 241 HB3 ASP 33 1HB ASP 33 -18.143 -4.480 2.939 242 H ASP 34 HN ASP 34 -17.346 -3.725 4.421 243 HA ASP 34 HA ASP 34 -18.205 -2.228 6.753 244 HB2 ASP 34 2HB ASP 34 -18.229 -4.611 6.967 245 HB3 ASP 34 1HB ASP 34 -16.573 -4.741 6.390 246 H GLY 35 HN GLY 35 -15.542 -2.308 4.620 247 HA2 GLY 35 2HA GLY 35 -13.830 -0.594 4.772 248 HA3 GLY 35 1HA GLY 35 -13.951 -0.706 6.526 249 H ASP 36 HN ASP 36 -14.077 -3.606 4.741 250 HA ASP 36 HA ASP 36 -11.760 -4.728 5.900 251 HB2 ASP 36 2HB ASP 36 -13.727 -6.018 5.097 252 HB3 ASP 36 1HB ASP 36 -13.297 -5.612 3.441 253 H ASN 37 HN ASN 37 -12.439 -3.241 2.844 254 HA ASN 37 HA ASN 37 -11.247 -2.025 1.431 255 HB2 ASN 37 2HB ASN 37 -8.998 -2.568 3.352 256 HB3 ASN 37 1HB ASN 37 -8.842 -1.597 1.903 257 HD21 ASN 37 1HD2 ASN 37 -8.470 -0.739 4.619 258 HD22 ASN 37 2HD2 ASN 37 -9.636 0.508 4.904 259 H ARG 38 HN ARG 38 -10.604 -2.453 -0.505 260 HA ARG 38 HA ARG 38 -9.367 -5.083 -1.027 261 HB2 ARG 38 2HB ARG 38 -11.683 -4.773 -1.903 262 HB3 ARG 38 1HB ARG 38 -11.116 -3.404 -2.845 263 HG2 ARG 38 2HG ARG 38 -9.550 -4.965 -4.017 264 HG3 ARG 38 1HG ARG 38 -10.358 -6.295 -3.182 265 HD2 ARG 38 2HD ARG 38 -12.511 -5.523 -4.159 266 HD3 ARG 38 1HD ARG 38 -11.617 -4.317 -5.082 267 HE ARG 38 HE ARG 38 -11.285 -7.232 -5.412 268 HH11 ARG 38 1HH1 ARG 38 -11.354 -3.987 -6.738 269 HH12 ARG 38 2HH1 ARG 38 -11.150 -4.516 -8.381 270 HH21 ARG 38 1HH2 ARG 38 -11.016 -7.926 -7.592 271 HH22 ARG 38 2HH2 ARG 38 -10.917 -6.733 -8.854 272 H VAL 39 HN VAL 39 -7.247 -4.742 -1.317 273 HA VAL 39 HA VAL 39 -6.363 -2.315 -2.717 274 HB VAL 39 HB VAL 39 -4.738 -4.336 -1.155 275 HG11 VAL 39 1HG1 VAL 39 -2.917 -2.702 -1.326 276 HG12 VAL 39 2HG1 VAL 39 -3.927 -1.695 -2.364 277 HG13 VAL 39 3HG1 VAL 39 -3.419 -3.292 -2.911 278 HG21 VAL 39 3HG2 VAL 39 -5.609 -1.537 -0.445 279 HG22 VAL 39 1HG2 VAL 39 -4.528 -2.550 0.514 280 HG23 VAL 39 2HG2 VAL 39 -6.209 -3.030 0.277 281 H ALA 40 HN ALA 40 -6.005 -2.457 -4.815 282 HA ALA 40 HA ALA 40 -5.228 -5.084 -5.909 283 HB1 ALA 40 1HB ALA 40 -7.530 -4.508 -6.475 284 HB2 ALA 40 2HB ALA 40 -6.511 -4.544 -7.915 285 HB3 ALA 40 3HB ALA 40 -6.979 -3.000 -7.202 286 H ALA 41 HN ALA 41 -3.987 -2.142 -5.300 287 HA ALA 41 HA ALA 41 -2.047 -2.414 -7.446 288 HB1 ALA 41 1HB ALA 41 -3.540 0.171 -7.031 289 HB2 ALA 41 2HB ALA 41 -3.740 -0.925 -8.398 290 HB3 ALA 41 3HB ALA 41 -2.204 -0.094 -8.149 291 H LEU 42 HN LEU 42 -0.043 -1.751 -6.916 292 HA LEU 42 HA LEU 42 0.296 -0.393 -4.317 293 HB2 LEU 42 2HB LEU 42 2.116 -2.420 -5.629 294 HB3 LEU 42 1HB LEU 42 2.472 -1.561 -4.144 295 HG LEU 42 HG LEU 42 0.206 -3.519 -4.521 296 HD11 LEU 42 1HD1 LEU 42 2.361 -4.624 -4.552 297 HD12 LEU 42 2HD1 LEU 42 1.532 -4.951 -3.031 298 HD13 LEU 42 3HD1 LEU 42 2.842 -3.772 -3.084 299 HD21 LEU 42 3HD2 LEU 42 -0.336 -1.793 -2.890 300 HD22 LEU 42 1HD2 LEU 42 1.198 -2.073 -2.066 301 HD23 LEU 42 2HD2 LEU 42 -0.035 -3.334 -2.084 302 H HIS 43 HN HIS 43 1.587 1.398 -4.274 303 HA HIS 43 HA HIS 43 3.301 1.911 -6.578 304 HB2 HIS 43 2HB HIS 43 1.013 3.037 -6.876 305 HB3 HIS 43 1HB HIS 43 1.487 4.091 -5.547 306 HD1 HIS 43 1HD HIS 43 2.517 3.173 -9.066 307 HD2 HIS 43 2HD HIS 43 3.153 6.170 -6.246 308 HE1 HIS 43 1HE HIS 43 3.771 4.993 -10.276 309 HE2 HIS 43 2HE HIS 43 4.076 6.836 -8.578 310 H ARG 44 HN ARG 44 5.180 2.824 -6.057 311 HA ARG 44 HA ARG 44 5.806 3.223 -3.273 312 HB2 ARG 44 2HB ARG 44 7.376 2.155 -4.875 313 HB3 ARG 44 1HB ARG 44 7.495 3.681 -5.739 314 HG2 ARG 44 2HG ARG 44 8.474 4.732 -3.783 315 HG3 ARG 44 1HG ARG 44 8.331 3.216 -2.885 316 HD2 ARG 44 2HD ARG 44 9.794 2.129 -4.539 317 HD3 ARG 44 1HD ARG 44 9.961 3.667 -5.383 318 HE ARG 44 HE ARG 44 10.704 4.000 -2.690 319 HH11 ARG 44 1HH1 ARG 44 11.824 2.425 -5.610 320 HH12 ARG 44 2HH1 ARG 44 13.502 2.531 -5.182 321 HH21 ARG 44 1HH2 ARG 44 12.931 4.156 -2.124 322 HH22 ARG 44 2HH2 ARG 44 14.126 3.507 -3.212 323 H ALA 45 HN ALA 45 6.183 5.153 -2.230 324 HA ALA 45 HA ALA 45 4.986 7.483 -3.343 325 HB1 ALA 45 1HB ALA 45 4.923 6.972 -0.941 326 HB2 ALA 45 2HB ALA 45 5.589 8.570 -1.271 327 HB3 ALA 45 3HB ALA 45 6.664 7.236 -0.854 328 H THR 46 HN THR 46 6.043 8.113 -5.144 329 HA THR 46 HA THR 46 8.332 9.774 -4.739 330 HB THR 46 HB THR 46 9.482 7.640 -5.124 331 HG1 THR 46 1HG THR 46 10.867 8.819 -6.186 332 HG21 THR 46 3HG2 THR 46 9.280 6.471 -7.275 333 HG22 THR 46 1HG2 THR 46 7.992 7.580 -7.750 334 HG23 THR 46 2HG2 THR 46 7.752 6.476 -6.396 335 H ASN 47 HN ASN 47 8.685 11.166 -6.604 336 HA ASN 47 HA ASN 47 6.168 11.450 -8.069 337 HB2 ASN 47 2HB ASN 47 6.967 13.849 -8.418 338 HB3 ASN 47 1HB ASN 47 6.501 13.387 -6.787 339 HD21 ASN 47 1HD2 ASN 47 8.129 13.104 -5.214 340 HD22 ASN 47 2HD2 ASN 47 9.702 13.802 -5.417 341 H ARG 48 HN ARG 48 9.320 12.837 -8.945 342 HA ARG 48 HA ARG 48 10.470 12.872 -10.892 343 HB2 ARG 48 2HB ARG 48 9.403 10.083 -10.916 344 HB3 ARG 48 1HB ARG 48 10.219 10.702 -12.344 345 HG2 ARG 48 2HG ARG 48 12.178 11.246 -10.921 346 HG3 ARG 48 1HG ARG 48 11.358 10.456 -9.571 347 HD2 ARG 48 2HD ARG 48 11.462 8.353 -10.593 348 HD3 ARG 48 1HD ARG 48 11.807 9.044 -12.179 349 HE ARG 48 HE ARG 48 13.868 9.699 -10.345 350 HH11 ARG 48 1HH1 ARG 48 12.588 6.982 -12.132 351 HH12 ARG 48 2HH1 ARG 48 14.126 6.202 -12.320 352 HH21 ARG 48 1HH2 ARG 48 15.902 8.710 -10.607 353 HH22 ARG 48 2HH2 ARG 48 16.030 7.185 -11.440 354 H ARG 49 HN ARG 49 9.745 14.421 -12.186 355 HA ARG 49 HA ARG 49 7.646 13.738 -14.097 356 HB2 ARG 49 2HB ARG 49 6.473 15.889 -13.663 357 HB3 ARG 49 1HB ARG 49 6.384 14.744 -12.335 358 HG2 ARG 49 2HG ARG 49 8.300 15.999 -11.279 359 HG3 ARG 49 1HG ARG 49 8.059 17.229 -12.522 360 HD2 ARG 49 2HD ARG 49 5.750 17.534 -11.784 361 HD3 ARG 49 1HD ARG 49 5.972 16.288 -10.554 362 HE ARG 49 HE ARG 49 7.573 18.773 -10.556 363 HH11 ARG 49 1HH1 ARG 49 5.516 16.466 -8.903 364 HH12 ARG 49 2HH1 ARG 49 5.652 17.257 -7.367 365 HH21 ARG 49 1HH2 ARG 49 7.728 19.812 -8.552 366 HH22 ARG 49 2HH2 ARG 49 6.896 19.166 -7.165 367 H SER 50 HN SER 50 10.572 15.288 -13.410 368 HA SER 50 HA SER 50 11.931 16.733 -14.458 369 HB2 SER 50 2HB SER 50 10.694 15.493 -16.916 370 HB3 SER 50 1HB SER 50 12.281 16.232 -16.764 371 HG SER 50 HG SER 50 12.620 14.576 -15.045 372 H GLU 51 HN GLU 51 11.092 18.694 -13.855 373 HA GLU 51 HA GLU 51 9.050 19.897 -15.595 374 HB2 GLU 51 2HB GLU 51 8.620 21.409 -13.670 375 HB3 GLU 51 1HB GLU 51 8.347 19.712 -13.291 376 HG2 GLU 51 2HG GLU 51 10.566 19.614 -12.236 377 HG3 GLU 51 1HG GLU 51 10.777 21.333 -12.564 378 H GLN 52 HN GLN 52 9.193 22.335 -15.708 379 HA GLN 52 HA GLN 52 11.680 23.610 -15.188 380 HB2 GLN 52 2HB GLN 52 12.123 24.318 -17.528 381 HB3 GLN 52 1HB GLN 52 12.374 22.601 -17.255 382 HG2 GLN 52 2HG GLN 52 10.303 22.065 -18.333 383 HG3 GLN 52 1HG GLN 52 9.877 23.773 -18.455 384 HE21 GLN 52 1HE2 GLN 52 11.924 21.233 -19.681 385 HE22 GLN 52 2HE2 GLN 52 12.432 22.064 -21.108 386 H ARG 53 HN ARG 53 8.601 23.695 -16.825 387 HA ARG 53 HA ARG 53 7.926 26.150 -15.448 388 HB2 ARG 53 2HB ARG 53 7.665 26.015 -18.461 389 HB3 ARG 53 1HB ARG 53 7.115 27.325 -17.436 390 HG2 ARG 53 2HG ARG 53 9.516 27.711 -16.821 391 HG3 ARG 53 1HG ARG 53 9.944 26.538 -18.071 392 HD2 ARG 53 2HD ARG 53 8.644 29.223 -18.372 393 HD3 ARG 53 1HD ARG 53 10.098 28.604 -19.152 394 HE ARG 53 HE ARG 53 7.798 27.082 -19.878 395 HH11 ARG 53 1HH1 ARG 53 9.517 30.056 -20.561 396 HH12 ARG 53 2HH1 ARG 53 8.779 30.266 -22.126 397 HH21 ARG 53 1HH2 ARG 53 6.832 27.357 -21.910 398 HH22 ARG 53 2HH2 ARG 53 7.233 28.738 -22.888 399 H THR 54 HN THR 54 6.450 24.775 -18.353 400 HA THR 54 HA THR 54 3.998 24.387 -16.791 401 HB THR 54 HB THR 54 4.249 24.744 -19.779 402 HG1 THR 54 1HG THR 54 3.803 26.638 -17.689 403 HG21 THR 54 3HG2 THR 54 2.181 23.665 -19.055 404 HG22 THR 54 1HG2 THR 54 1.860 25.299 -19.639 405 HG23 THR 54 2HG2 THR 54 1.891 24.971 -17.906 406 H ARG 55 HN ARG 55 4.090 22.307 -16.148 407 HA ARG 55 HA ARG 55 3.715 20.322 -18.278 408 HB2 ARG 55 2HB ARG 55 5.398 19.935 -15.787 409 HB3 ARG 55 1HB ARG 55 4.895 18.632 -16.849 410 HG2 ARG 55 2HG ARG 55 6.655 20.947 -17.632 411 HG3 ARG 55 1HG ARG 55 7.204 19.313 -17.255 412 HD2 ARG 55 2HD ARG 55 5.356 20.084 -19.513 413 HD3 ARG 55 1HD ARG 55 7.067 19.688 -19.670 414 HE ARG 55 HE ARG 55 6.020 17.484 -18.467 415 HH11 ARG 55 1HH1 ARG 55 5.277 19.271 -21.390 416 HH12 ARG 55 2HH1 ARG 55 4.606 17.898 -22.214 417 HH21 ARG 55 1HH2 ARG 55 5.147 15.666 -19.545 418 HH22 ARG 55 2HH2 ARG 55 4.537 15.838 -21.168 419 H ARG 56 HN ARG 56 1.864 21.866 -16.781 420 HA ARG 56 HA ARG 56 0.144 21.858 -15.307 421 HB2 ARG 56 2HB ARG 56 0.336 18.861 -15.680 422 HB3 ARG 56 1HB ARG 56 -0.988 19.682 -14.868 423 HG2 ARG 56 2HG ARG 56 -1.530 20.849 -16.950 424 HG3 ARG 56 1HG ARG 56 -0.211 19.998 -17.758 425 HD2 ARG 56 2HD ARG 56 -2.627 18.729 -16.474 426 HD3 ARG 56 1HD ARG 56 -2.355 18.923 -18.204 427 HE ARG 56 HE ARG 56 -0.183 17.526 -17.350 428 HH11 ARG 56 1HH1 ARG 56 -3.631 17.060 -17.039 429 HH12 ARG 56 2HH1 ARG 56 -3.537 15.326 -17.040 430 HH21 ARG 56 1HH2 ARG 56 -0.029 15.257 -17.359 431 HH22 ARG 56 2HH2 ARG 56 -1.477 14.293 -17.248 432 H TYR 57 HN TYR 57 1.518 22.716 -13.702 433 HA TYR 57 HA TYR 57 3.139 20.991 -12.112 434 HB2 TYR 57 2HB TYR 57 3.742 22.990 -10.847 435 HB3 TYR 57 1HB TYR 57 3.855 23.286 -12.575 436 HD1 TYR 57 2HD TYR 57 2.164 24.714 -13.694 437 HD2 TYR 57 1HD TYR 57 2.227 24.228 -9.465 438 HE1 TYR 57 2HE TYR 57 0.750 26.710 -13.446 439 HE2 TYR 57 1HE TYR 57 0.817 26.227 -9.210 440 HH TYR 57 HH TYR 57 0.260 28.256 -10.452 441 H GLU 58 HN GLU 58 2.892 20.297 -10.091 442 HA GLU 58 HA GLU 58 0.348 20.860 -8.726 443 HB2 GLU 58 2HB GLU 58 1.826 18.224 -8.941 444 HB3 GLU 58 1HB GLU 58 0.500 18.509 -7.819 445 HG2 GLU 58 2HG GLU 58 -1.029 18.878 -9.634 446 HG3 GLU 58 1HG GLU 58 0.283 18.805 -10.805 447 H LEU 59 HN LEU 59 0.724 21.945 -6.945 448 HA LEU 59 HA LEU 59 3.247 22.781 -6.191 449 HB2 LEU 59 2HB LEU 59 1.119 23.930 -5.664 450 HB3 LEU 59 1HB LEU 59 0.785 22.706 -4.454 451 HG LEU 59 HG LEU 59 2.819 23.415 -3.218 452 HD11 LEU 59 1HD1 LEU 59 4.077 24.326 -5.098 453 HD12 LEU 59 2HD1 LEU 59 3.899 25.519 -3.810 454 HD13 LEU 59 3HD1 LEU 59 2.900 25.631 -5.260 455 HD21 LEU 59 3HD2 LEU 59 0.833 25.615 -3.778 456 HD22 LEU 59 1HD2 LEU 59 1.879 25.497 -2.363 457 HD23 LEU 59 2HD2 LEU 59 0.616 24.296 -2.629 458 H THR 60 HN THR 60 1.189 20.609 -4.228 459 HA THR 60 HA THR 60 3.663 19.619 -2.995 460 HB THR 60 HB THR 60 0.877 19.222 -1.905 461 HG1 THR 60 1HG THR 60 2.738 21.338 -1.376 462 HG21 THR 60 3HG2 THR 60 3.604 19.179 -0.595 463 HG22 THR 60 1HG2 THR 60 2.647 17.758 -1.019 464 HG23 THR 60 2HG2 THR 60 2.063 18.880 0.208 465 H ALA 61 HN ALA 61 3.897 18.334 -5.007 466 HA ALA 61 HA ALA 61 2.350 15.834 -4.787 467 HB1 ALA 61 1HB ALA 61 3.605 16.956 -7.292 468 HB2 ALA 61 2HB ALA 61 1.890 17.039 -6.889 469 HB3 ALA 61 3HB ALA 61 2.658 15.474 -7.156 470 H ASP 62 HN ASP 62 3.922 15.178 -3.211 471 HA ASP 62 HA ASP 62 6.579 14.580 -4.342 472 HB2 ASP 62 2HB ASP 62 6.233 16.111 -2.232 473 HB3 ASP 62 1HB ASP 62 6.022 14.576 -1.393 474 H ASP 63 HN ASP 63 4.328 13.353 -1.870 475 HA ASP 63 HA ASP 63 5.063 10.607 -2.667 476 HB2 ASP 63 2HB ASP 63 4.025 11.561 0.013 477 HB3 ASP 63 1HB ASP 63 4.460 9.906 -0.394 478 H TYR 64 HN TYR 64 2.422 12.233 -0.933 479 HA TYR 64 HA TYR 64 0.547 10.224 -1.457 480 HB2 TYR 64 2HB TYR 64 0.326 11.818 0.397 481 HB3 TYR 64 1HB TYR 64 0.053 13.122 -0.753 482 HD1 TYR 64 2HD TYR 64 -1.371 9.917 0.482 483 HD2 TYR 64 1HD TYR 64 -2.116 13.578 -1.560 484 HE1 TYR 64 2HE TYR 64 -3.785 9.450 0.528 485 HE2 TYR 64 1HE TYR 64 -4.531 13.118 -1.520 486 HH TYR 64 HH TYR 64 -6.044 11.219 -1.337 487 H ARG 65 HN ARG 65 0.889 13.435 -2.971 488 HA ARG 65 HA ARG 65 -1.286 13.219 -4.681 489 HB2 ARG 65 2HB ARG 65 0.876 15.026 -4.252 490 HB3 ARG 65 1HB ARG 65 0.645 14.792 -5.982 491 HG2 ARG 65 2HG ARG 65 -1.627 15.401 -4.120 492 HG3 ARG 65 1HG ARG 65 -0.674 16.646 -4.914 493 HD2 ARG 65 2HD ARG 65 -1.376 15.991 -7.048 494 HD3 ARG 65 1HD ARG 65 -1.923 14.420 -6.471 495 HE ARG 65 HE ARG 65 -3.543 16.142 -5.164 496 HH11 ARG 65 1HH1 ARG 65 -2.610 15.926 -8.531 497 HH12 ARG 65 2HH1 ARG 65 -4.210 16.279 -9.127 498 HH21 ARG 65 1HH2 ARG 65 -5.629 16.657 -5.945 499 HH22 ARG 65 2HH2 ARG 65 -5.924 16.698 -7.653 500 H ALA 66 HN ALA 66 2.015 12.065 -5.137 501 HA ALA 66 HA ALA 66 1.710 11.458 -7.899 502 HB1 ALA 66 1HB ALA 66 3.902 11.720 -6.812 503 HB2 ALA 66 2HB ALA 66 3.756 10.181 -7.662 504 HB3 ALA 66 3HB ALA 66 3.612 10.236 -5.904 505 H ALA 67 HN ALA 67 1.257 9.599 -4.925 506 HA ALA 67 HA ALA 67 0.484 7.189 -6.225 507 HB1 ALA 67 1HB ALA 67 -0.201 8.161 -3.454 508 HB2 ALA 67 2HB ALA 67 1.232 7.231 -3.894 509 HB3 ALA 67 3HB ALA 67 -0.370 6.508 -4.046 510 H ASP 68 HN ASP 68 -1.203 10.034 -5.069 511 HA ASP 68 HA ASP 68 -3.853 9.240 -5.442 512 HB2 ASP 68 2HB ASP 68 -3.265 11.271 -4.244 513 HB3 ASP 68 1HB ASP 68 -2.581 11.970 -5.707 514 H ALA 69 HN ALA 69 -1.656 10.926 -7.667 515 HA ALA 69 HA ALA 69 -3.372 11.156 -9.841 516 HB1 ALA 69 1HB ALA 69 -1.181 12.260 -9.682 517 HB2 ALA 69 2HB ALA 69 -1.378 11.404 -11.210 518 HB3 ALA 69 3HB ALA 69 -0.387 10.705 -9.928 519 H ALA 70 HN ALA 70 -1.017 8.565 -9.174 520 HA ALA 70 HA ALA 70 -1.710 6.937 -11.360 521 HB1 ALA 70 1HB ALA 70 -0.567 5.140 -10.167 522 HB2 ALA 70 2HB ALA 70 -0.607 6.086 -8.678 523 HB3 ALA 70 3HB ALA 70 0.342 6.648 -10.053 524 H ALA 71 HN ALA 71 -2.998 7.096 -8.060 525 HA ALA 71 HA ALA 71 -4.669 4.844 -8.180 526 HB1 ALA 71 1HB ALA 71 -4.138 6.079 -6.112 527 HB2 ALA 71 2HB ALA 71 -5.869 5.820 -6.323 528 HB3 ALA 71 3HB ALA 71 -5.166 7.403 -6.661 529 H GLN 72 HN GLN 72 -5.373 8.256 -8.913 530 HA GLN 72 HA GLN 72 -8.039 7.833 -9.709 531 HB2 GLN 72 2HB GLN 72 -6.218 10.024 -9.566 532 HB3 GLN 72 1HB GLN 72 -6.965 10.032 -11.159 533 HG2 GLN 72 2HG GLN 72 -8.239 11.388 -9.617 534 HG3 GLN 72 1HG GLN 72 -9.175 9.984 -10.130 535 HE21 GLN 72 1HE2 GLN 72 -10.513 10.010 -8.362 536 HE22 GLN 72 2HE2 GLN 72 -9.979 9.619 -6.762 537 H GLU 73 HN GLU 73 -4.993 7.689 -11.483 538 HA GLU 73 HA GLU 73 -5.993 7.435 -14.056 539 HB2 GLU 73 2HB GLU 73 -3.536 6.428 -12.695 540 HB3 GLU 73 1HB GLU 73 -3.834 6.136 -14.402 541 HG2 GLU 73 2HG GLU 73 -3.740 8.825 -13.082 542 HG3 GLU 73 1HG GLU 73 -2.469 8.104 -14.047 543 H GLN 74 HN GLN 74 -5.396 4.948 -11.625 544 HA GLN 74 HA GLN 74 -6.343 2.843 -13.316 545 HB2 GLN 74 2HB GLN 74 -5.447 3.039 -10.484 546 HB3 GLN 74 1HB GLN 74 -6.431 1.657 -10.941 547 HG2 GLN 74 2HG GLN 74 -4.150 1.037 -11.106 548 HG3 GLN 74 1HG GLN 74 -4.795 1.158 -12.738 549 HE21 GLN 74 1HE2 GLN 74 -2.585 2.452 -10.425 550 HE22 GLN 74 2HE2 GLN 74 -1.750 3.515 -11.503 551 H GLY 75 HN GLY 75 -7.724 4.840 -10.779 552 HA2 GLY 75 2HA GLY 75 -10.113 5.332 -10.890 553 HA3 GLY 75 1HA GLY 75 -10.367 3.664 -11.390 554 H LEU 76 HN LEU 76 -8.128 4.551 -8.883 555 HA LEU 76 HA LEU 76 -9.904 3.362 -6.860 556 HB2 LEU 76 2HB LEU 76 -6.918 2.966 -7.124 557 HB3 LEU 76 1HB LEU 76 -7.946 2.257 -5.899 558 HG LEU 76 HG LEU 76 -8.154 1.659 -8.849 559 HD11 LEU 76 1HD1 LEU 76 -6.038 0.853 -7.955 560 HD12 LEU 76 2HD1 LEU 76 -7.129 -0.490 -8.295 561 HD13 LEU 76 3HD1 LEU 76 -6.889 0.051 -6.635 562 HD21 LEU 76 3HD2 LEU 76 -9.408 0.325 -6.454 563 HD22 LEU 76 1HD2 LEU 76 -9.561 -0.196 -8.133 564 HD23 LEU 76 2HD2 LEU 76 -10.245 1.348 -7.623 565 H ASP 77 HN ASP 77 -8.821 3.842 -4.574 566 HA ASP 77 HA ASP 77 -7.467 6.439 -4.608 567 HB2 ASP 77 2HB ASP 77 -8.802 7.283 -2.768 568 HB3 ASP 77 1HB ASP 77 -9.857 6.855 -4.104 569 H VAL 78 HN VAL 78 -6.694 6.913 -2.240 570 HA VAL 78 HA VAL 78 -4.977 4.694 -1.578 571 HB VAL 78 HB VAL 78 -5.218 7.374 -0.195 572 HG11 VAL 78 1HG1 VAL 78 -4.135 5.663 1.166 573 HG12 VAL 78 2HG1 VAL 78 -2.980 6.894 0.653 574 HG13 VAL 78 3HG1 VAL 78 -3.009 5.323 -0.149 575 HG21 VAL 78 3HG2 VAL 78 -3.360 6.499 -2.403 576 HG22 VAL 78 1HG2 VAL 78 -3.250 8.022 -1.522 577 HG23 VAL 78 2HG2 VAL 78 -4.655 7.689 -2.534 578 H VAL 79 HN VAL 79 -5.822 3.076 -0.460 579 HA VAL 79 HA VAL 79 -7.841 3.655 1.592 580 HB VAL 79 HB VAL 79 -8.359 1.235 1.518 581 HG11 VAL 79 1HG1 VAL 79 -9.586 2.828 0.114 582 HG12 VAL 79 2HG1 VAL 79 -9.444 1.252 -0.664 583 HG13 VAL 79 3HG1 VAL 79 -8.411 2.586 -1.179 584 HG21 VAL 79 3HG2 VAL 79 -7.426 -0.163 -0.254 585 HG22 VAL 79 1HG2 VAL 79 -6.154 0.412 0.823 586 HG23 VAL 79 2HG2 VAL 79 -6.378 1.161 -0.759 587 H GLY 80 HN GLY 80 -4.586 3.202 1.421 588 HA2 GLY 80 2HA GLY 80 -4.290 2.955 4.199 589 HA3 GLY 80 1HA GLY 80 -4.062 1.367 3.479 590 H VAL 81 HN VAL 81 -1.951 1.840 4.606 591 HA VAL 81 HA VAL 81 -0.073 2.885 2.598 592 HB VAL 81 HB VAL 81 0.434 3.397 5.511 593 HG11 VAL 81 1HG1 VAL 81 1.463 4.695 2.998 594 HG12 VAL 81 2HG1 VAL 81 2.333 3.554 4.025 595 HG13 VAL 81 3HG1 VAL 81 1.915 5.152 4.641 596 HG21 VAL 81 3HG2 VAL 81 -1.675 4.521 5.063 597 HG22 VAL 81 1HG2 VAL 81 -0.974 5.300 3.646 598 HG23 VAL 81 2HG2 VAL 81 -0.374 5.698 5.256 599 H TYR 82 HN TYR 82 2.064 1.929 2.814 600 HA TYR 82 HA TYR 82 2.190 -0.323 4.681 601 HB2 TYR 82 2HB TYR 82 3.246 -1.765 3.004 602 HB3 TYR 82 1HB TYR 82 1.622 -1.305 2.521 603 HD1 TYR 82 2HD TYR 82 5.209 -0.869 1.825 604 HD2 TYR 82 1HD TYR 82 1.249 0.005 0.538 605 HE1 TYR 82 2HE TYR 82 6.084 -0.149 -0.358 606 HE2 TYR 82 1HE TYR 82 2.112 0.718 -1.647 607 HH TYR 82 HH TYR 82 4.178 1.540 -2.631 608 H HIS 83 HN HIS 83 4.102 -0.634 5.664 609 HA HIS 83 HA HIS 83 6.368 1.015 4.775 610 HB2 HIS 83 2HB HIS 83 5.227 0.823 7.561 611 HB3 HIS 83 1HB HIS 83 6.904 1.280 7.284 612 HD1 HIS 83 1HD HIS 83 7.362 3.677 6.681 613 HD2 HIS 83 2HD HIS 83 3.315 2.711 6.487 614 HE1 HIS 83 1HE HIS 83 6.154 5.858 6.329 615 HE2 HIS 83 2HE HIS 83 3.705 5.269 6.311 616 H SER 84 HN SER 84 8.248 -0.029 4.710 617 HA SER 84 HA SER 84 8.338 -2.740 5.822 618 HB2 SER 84 2HB SER 84 10.218 -3.070 4.190 619 HB3 SER 84 1HB SER 84 8.666 -2.713 3.426 620 HG SER 84 HG SER 84 11.001 -1.250 3.484 621 H HIS 85 HN HIS 85 9.974 -3.322 7.227 622 HA HIS 85 HA HIS 85 11.708 -1.130 8.136 623 HB2 HIS 85 2HB HIS 85 11.195 -3.844 9.394 624 HB3 HIS 85 1HB HIS 85 12.193 -2.574 10.082 625 HD1 HIS 85 1HD HIS 85 9.621 -3.876 11.422 626 HD2 HIS 85 2HD HIS 85 9.804 -0.191 9.486 627 HE1 HIS 85 1HE HIS 85 7.719 -2.515 12.359 628 HE2 HIS 85 2HE HIS 85 7.920 -0.249 11.273 629 HA PRO 86 HA PRO 86 15.081 -3.458 6.311 630 HB2 PRO 86 2HB PRO 86 16.900 -1.496 6.422 631 HB3 PRO 86 1HB PRO 86 15.510 -1.408 5.336 632 HG2 PRO 86 2HG PRO 86 16.058 0.109 7.797 633 HG3 PRO 86 1HG PRO 86 14.967 0.498 6.461 634 HD2 PRO 86 2HD PRO 86 14.344 -0.722 9.019 635 HD3 PRO 86 1HD PRO 86 13.227 -0.186 7.746 636 H ASP 87 HN ASP 87 14.781 -2.663 9.510 637 HA ASP 87 HA ASP 87 17.408 -3.781 10.207 638 HB2 ASP 87 2HB ASP 87 17.577 -1.402 10.539 639 HB3 ASP 87 1HB ASP 87 16.060 -1.370 11.426 640 H HIS 88 HN HIS 88 14.468 -2.702 11.893 641 HA HIS 88 HA HIS 88 14.593 -5.025 13.623 642 HB2 HIS 88 2HB HIS 88 13.137 -2.456 13.604 643 HB3 HIS 88 1HB HIS 88 12.265 -3.815 14.308 644 HD1 HIS 88 1HD HIS 88 15.733 -2.230 14.664 645 HD2 HIS 88 2HD HIS 88 12.838 -4.204 16.904 646 HE1 HIS 88 1HE HIS 88 16.569 -2.199 17.034 647 HE2 HIS 88 2HE HIS 88 14.887 -3.547 18.343 648 HA PRO 89 HA PRO 89 11.974 -7.689 11.457 649 HB2 PRO 89 2HB PRO 89 10.488 -8.878 13.384 650 HB3 PRO 89 1HB PRO 89 12.222 -9.155 13.199 651 HG2 PRO 89 2HG PRO 89 10.789 -7.333 15.093 652 HG3 PRO 89 1HG PRO 89 12.147 -8.430 15.408 653 HD2 PRO 89 2HD PRO 89 12.482 -5.776 15.039 654 HD3 PRO 89 1HD PRO 89 13.696 -6.965 14.536 655 H ALA 90 HN ALA 90 9.500 -8.666 11.844 656 HA ALA 90 HA ALA 90 7.875 -6.674 10.639 657 HB1 ALA 90 1HB ALA 90 7.733 -9.052 10.057 658 HB2 ALA 90 2HB ALA 90 6.167 -8.404 10.552 659 HB3 ALA 90 3HB ALA 90 7.102 -9.401 11.666 660 H ARG 91 HN ARG 91 5.380 -6.974 11.562 661 HA ARG 91 HA ARG 91 3.876 -6.035 12.924 662 HB2 ARG 91 2HB ARG 91 5.871 -6.858 15.017 663 HB3 ARG 91 1HB ARG 91 4.379 -6.036 15.413 664 HG2 ARG 91 2HG ARG 91 3.832 -8.249 15.735 665 HG3 ARG 91 1HG ARG 91 3.245 -7.947 14.101 666 HD2 ARG 91 2HD ARG 91 4.394 -10.055 14.135 667 HD3 ARG 91 1HD ARG 91 5.360 -8.896 13.222 668 HE ARG 91 HE ARG 91 6.795 -8.691 15.195 669 HH11 ARG 91 1HH1 ARG 91 4.646 -11.449 15.008 670 HH12 ARG 91 2HH1 ARG 91 5.573 -12.413 16.124 671 HH21 ARG 91 1HH2 ARG 91 8.022 -9.937 16.647 672 HH22 ARG 91 2HH2 ARG 91 7.519 -11.557 17.048 673 HA PRO 92 HA PRO 92 5.049 -1.810 13.061 674 HB2 PRO 92 2HB PRO 92 2.914 -0.770 14.369 675 HB3 PRO 92 1HB PRO 92 2.827 -1.343 12.699 676 HG2 PRO 92 2HG PRO 92 1.964 -2.697 15.218 677 HG3 PRO 92 1HG PRO 92 1.159 -2.647 13.638 678 HD2 PRO 92 2HD PRO 92 2.626 -4.773 14.510 679 HD3 PRO 92 1HD PRO 92 2.438 -4.355 12.796 680 H SER 93 HN SER 93 6.263 -0.546 14.328 681 HA SER 93 HA SER 93 6.587 -1.310 17.120 682 HB2 SER 93 2HB SER 93 8.555 0.183 17.048 683 HB3 SER 93 1HB SER 93 8.599 -0.985 15.727 684 HG SER 93 HG SER 93 7.811 0.648 14.334 685 H ALA 94 HN ALA 94 7.122 0.791 18.544 686 HA ALA 94 HA ALA 94 4.780 2.255 18.925 687 HB1 ALA 94 1HB ALA 94 6.105 3.700 20.386 688 HB2 ALA 94 2HB ALA 94 7.592 3.030 19.712 689 HB3 ALA 94 3HB ALA 94 6.505 2.002 20.646 690 H THR 95 HN THR 95 7.696 3.025 17.081 691 HA THR 95 HA THR 95 7.014 5.677 16.389 692 HB THR 95 HB THR 95 8.669 3.824 14.669 693 HG1 THR 95 1HG THR 95 9.490 5.211 17.041 694 HG21 THR 95 3HG2 THR 95 9.953 5.865 14.226 695 HG22 THR 95 1HG2 THR 95 8.887 6.773 15.298 696 HG23 THR 95 2HG2 THR 95 8.254 6.083 13.805 697 H ASP 96 HN ASP 96 6.267 2.551 14.922 698 HA ASP 96 HA ASP 96 5.100 3.572 12.544 699 HB2 ASP 96 2HB ASP 96 4.683 0.958 14.007 700 HB3 ASP 96 1HB ASP 96 3.916 1.337 12.470 701 H LEU 97 HN LEU 97 3.821 2.746 15.729 702 HA LEU 97 HA LEU 97 1.110 3.324 15.228 703 HB2 LEU 97 2HB LEU 97 2.059 2.133 17.223 704 HB3 LEU 97 1HB LEU 97 2.640 3.671 17.814 705 HG LEU 97 HG LEU 97 0.524 2.757 18.864 706 HD11 LEU 97 1HD1 LEU 97 -0.566 4.938 19.003 707 HD12 LEU 97 2HD1 LEU 97 0.413 5.506 17.651 708 HD13 LEU 97 3HD1 LEU 97 1.185 5.062 19.171 709 HD21 LEU 97 3HD2 LEU 97 -0.644 3.607 16.222 710 HD22 LEU 97 1HD2 LEU 97 -1.575 3.202 17.666 711 HD23 LEU 97 2HD2 LEU 97 -0.592 1.968 16.875 712 H GLU 98 HN GLU 98 3.814 5.327 16.280 713 HA GLU 98 HA GLU 98 2.497 7.737 16.723 714 HB2 GLU 98 2HB GLU 98 5.263 7.221 15.630 715 HB3 GLU 98 1HB GLU 98 4.700 8.795 16.154 716 HG2 GLU 98 2HG GLU 98 4.310 7.841 18.411 717 HG3 GLU 98 1HG GLU 98 5.047 6.341 17.846 718 H GLU 99 HN GLU 99 3.676 6.343 13.703 719 HA GLU 99 HA GLU 99 3.042 8.666 12.138 720 HB2 GLU 99 2HB GLU 99 3.898 5.860 11.462 721 HB3 GLU 99 1HB GLU 99 3.451 7.015 10.214 722 HG2 GLU 99 2HG GLU 99 5.636 7.430 12.241 723 HG3 GLU 99 1HG GLU 99 5.878 6.871 10.587 724 H ALA 100 HN ALA 100 1.272 6.010 13.323 725 HA ALA 100 HA ALA 100 -0.648 5.919 11.177 726 HB1 ALA 100 1HB ALA 100 -1.822 4.296 12.552 727 HB2 ALA 100 2HB ALA 100 -0.753 4.655 13.908 728 HB3 ALA 100 3HB ALA 100 -0.104 3.907 12.450 729 H THR 101 HN THR 101 -1.563 7.937 11.018 730 HA THR 101 HA THR 101 -3.301 8.695 13.272 731 HB THR 101 HB THR 101 -2.225 10.696 11.299 732 HG1 THR 101 1HG THR 101 -0.399 9.793 12.284 733 HG21 THR 101 3HG2 THR 101 -4.141 11.351 12.700 734 HG22 THR 101 1HG2 THR 101 -2.695 12.278 13.103 735 HG23 THR 101 2HG2 THR 101 -3.212 10.951 14.145 736 H PHE 102 HN PHE 102 -3.551 7.064 10.698 737 HA PHE 102 HA PHE 102 -5.930 8.446 9.649 738 HB2 PHE 102 2HB PHE 102 -4.119 6.484 8.225 739 HB3 PHE 102 1HB PHE 102 -5.594 7.169 7.553 740 HD1 PHE 102 1HD PHE 102 -5.707 9.648 7.160 741 HD2 PHE 102 2HD PHE 102 -2.080 7.630 8.103 742 HE1 PHE 102 1HE PHE 102 -4.425 11.548 6.270 743 HE2 PHE 102 2HE PHE 102 -0.790 9.530 7.217 744 HZ PHE 102 HZ PHE 102 -1.963 11.490 6.298 745 HA PRO 103 HA PRO 103 -7.350 4.805 12.035 746 HB2 PRO 103 2HB PRO 103 -9.852 6.324 12.205 747 HB3 PRO 103 1HB PRO 103 -8.820 5.709 13.499 748 HG2 PRO 103 2HG PRO 103 -8.995 8.334 12.953 749 HG3 PRO 103 1HG PRO 103 -7.485 7.589 13.509 750 HD2 PRO 103 2HD PRO 103 -8.305 8.364 10.731 751 HD3 PRO 103 1HD PRO 103 -6.739 8.582 11.543 752 H GLY 104 HN GLY 104 -8.349 6.098 9.083 753 HA2 GLY 104 2HA GLY 104 -10.256 3.874 8.695 754 HA3 GLY 104 1HA GLY 104 -10.328 5.397 7.822 755 H PHE 105 HN PHE 105 -7.222 4.047 8.382 756 HA PHE 105 HA PHE 105 -7.111 3.123 5.583 757 HB2 PHE 105 2HB PHE 105 -5.112 4.683 7.210 758 HB3 PHE 105 1HB PHE 105 -4.611 3.742 5.810 759 HD1 PHE 105 1HD PHE 105 -7.390 6.144 6.578 760 HD2 PHE 105 2HD PHE 105 -4.248 5.002 3.948 761 HE1 PHE 105 1HE PHE 105 -7.931 8.045 5.111 762 HE2 PHE 105 2HE PHE 105 -4.784 6.899 2.478 763 HZ PHE 105 HZ PHE 105 -6.629 8.425 3.057 764 H THR 106 HN THR 106 -5.851 1.299 5.138 765 HA THR 106 HA THR 106 -5.394 -0.451 7.428 766 HB THR 106 HB THR 106 -5.167 -1.071 4.470 767 HG1 THR 106 1HG THR 106 -7.282 -2.009 6.060 768 HG21 THR 106 3HG2 THR 106 -5.362 -2.907 6.861 769 HG22 THR 106 1HG2 THR 106 -3.913 -2.621 5.898 770 HG23 THR 106 2HG2 THR 106 -5.313 -3.408 5.171 771 H TYR 107 HN TYR 107 -3.398 -0.918 8.187 772 HA TYR 107 HA TYR 107 -1.124 0.279 6.760 773 HB2 TYR 107 2HB TYR 107 -1.552 -0.339 9.682 774 HB3 TYR 107 1HB TYR 107 0.023 0.084 9.019 775 HD1 TYR 107 1HD TYR 107 0.468 2.339 8.220 776 HD2 TYR 107 2HD TYR 107 -3.301 1.329 9.922 777 HE1 TYR 107 1HE TYR 107 -0.049 4.727 8.474 778 HE2 TYR 107 2HE TYR 107 -3.827 3.719 10.181 779 HH TYR 107 HH TYR 107 -2.019 6.162 8.672 780 H VAL 108 HN VAL 108 0.009 -1.105 5.623 781 HA VAL 108 HA VAL 108 0.220 -3.882 6.521 782 HB VAL 108 HB VAL 108 1.087 -2.603 3.919 783 HG11 VAL 108 1HG1 VAL 108 1.468 -4.914 3.142 784 HG12 VAL 108 2HG1 VAL 108 1.163 -5.498 4.778 785 HG13 VAL 108 3HG1 VAL 108 2.552 -4.460 4.456 786 HG21 VAL 108 3HG2 VAL 108 -1.193 -4.477 4.543 787 HG22 VAL 108 1HG2 VAL 108 -0.750 -3.889 2.940 788 HG23 VAL 108 2HG2 VAL 108 -1.334 -2.760 4.162 789 H ILE 109 HN ILE 109 1.895 -4.494 7.670 790 HA ILE 109 HA ILE 109 4.372 -2.916 7.508 791 HB ILE 109 HB ILE 109 3.385 -4.665 9.768 792 HG12 ILE 109 2HG1 ILE 109 2.149 -2.556 9.627 793 HG13 ILE 109 1HG1 ILE 109 3.205 -2.557 11.038 794 HG21 ILE 109 1HG2 ILE 109 5.873 -2.965 9.617 795 HG22 ILE 109 2HG2 ILE 109 5.819 -4.727 9.559 796 HG23 ILE 109 3HG2 ILE 109 5.315 -3.878 11.019 797 HD11 ILE 109 3HD1 ILE 109 3.775 -1.194 8.417 798 HD12 ILE 109 1HD1 ILE 109 4.810 -1.177 9.844 799 HD13 ILE 109 2HD1 ILE 109 3.223 -0.409 9.898 800 H VAL 110 HN VAL 110 5.965 -3.859 6.459 801 HA VAL 110 HA VAL 110 6.098 -6.795 6.462 802 HB VAL 110 HB VAL 110 5.350 -6.212 4.273 803 HG11 VAL 110 1HG1 VAL 110 5.864 -3.852 4.260 804 HG12 VAL 110 2HG1 VAL 110 6.553 -4.614 2.827 805 HG13 VAL 110 3HG1 VAL 110 7.593 -4.194 4.189 806 HG21 VAL 110 3HG2 VAL 110 8.325 -6.692 4.165 807 HG22 VAL 110 1HG2 VAL 110 7.186 -6.971 2.850 808 HG23 VAL 110 2HG2 VAL 110 7.074 -7.925 4.330 809 H SER 111 HN SER 111 7.944 -7.667 7.002 810 HA SER 111 HA SER 111 10.238 -5.909 7.442 811 HB2 SER 111 2HB SER 111 9.400 -7.364 9.304 812 HB3 SER 111 1HB SER 111 9.836 -8.770 8.336 813 HG SER 111 HG SER 111 11.637 -8.476 9.487 814 H VAL 112 HN VAL 112 11.444 -5.752 5.638 815 HA VAL 112 HA VAL 112 12.020 -8.242 4.183 816 HB VAL 112 HB VAL 112 12.483 -5.420 3.195 817 HG11 VAL 112 1HG1 VAL 112 13.952 -7.063 2.182 818 HG12 VAL 112 2HG1 VAL 112 12.753 -6.512 1.011 819 HG13 VAL 112 3HG1 VAL 112 12.572 -8.085 1.786 820 HG21 VAL 112 3HG2 VAL 112 10.094 -5.812 3.452 821 HG22 VAL 112 1HG2 VAL 112 10.227 -7.315 2.543 822 HG23 VAL 112 2HG2 VAL 112 10.534 -5.773 1.744 823 H ARG 113 HN ARG 113 13.923 -9.121 4.606 824 HA ARG 113 HA ARG 113 15.849 -7.506 6.109 825 HB2 ARG 113 2HB ARG 113 14.929 -9.757 6.918 826 HB3 ARG 113 1HB ARG 113 15.913 -10.490 5.664 827 HG2 ARG 113 2HG ARG 113 17.916 -9.827 6.695 828 HG3 ARG 113 1HG ARG 113 17.083 -8.692 7.759 829 HD2 ARG 113 2HD ARG 113 16.754 -11.692 7.826 830 HD3 ARG 113 1HD ARG 113 17.789 -10.766 8.911 831 HE ARG 113 HE ARG 113 14.876 -10.321 8.793 832 HH11 ARG 113 1HH1 ARG 113 17.798 -11.011 10.592 833 HH12 ARG 113 2HH1 ARG 113 17.042 -10.813 12.145 834 HH21 ARG 113 1HH2 ARG 113 13.851 -10.108 10.833 835 HH22 ARG 113 2HH2 ARG 113 14.803 -10.309 12.287 836 H ASP 114 HN ASP 114 16.056 -6.510 3.862 837 HA ASP 114 HA ASP 114 17.205 -6.100 1.960 838 HB2 ASP 114 2HB ASP 114 19.099 -6.042 3.497 839 HB3 ASP 114 1HB ASP 114 19.321 -7.779 3.317 840 H GLY 115 HN GLY 115 15.709 -7.285 0.688 841 HA2 GLY 115 2HA GLY 115 15.516 -8.618 -1.222 842 HA3 GLY 115 1HA GLY 115 17.004 -9.435 -0.771 843 H ALA 116 HN ALA 116 16.038 -9.991 1.957 844 HA ALA 116 HA ALA 116 14.381 -12.296 1.250 845 HB1 ALA 116 1HB ALA 116 16.538 -12.767 2.306 846 HB2 ALA 116 2HB ALA 116 15.187 -13.317 3.298 847 HB3 ALA 116 3HB ALA 116 16.041 -11.831 3.716 848 HA PRO 117 HA PRO 117 11.106 -10.007 3.351 849 HB2 PRO 117 2HB PRO 117 9.425 -12.145 2.251 850 HB3 PRO 117 1HB PRO 117 9.336 -10.402 1.980 851 HG2 PRO 117 2HG PRO 117 10.156 -12.095 0.055 852 HG3 PRO 117 1HG PRO 117 10.832 -10.464 0.220 853 HD2 PRO 117 2HD PRO 117 11.972 -13.089 1.119 854 HD3 PRO 117 1HD PRO 117 12.782 -11.729 0.309 855 H GLU 118 HN GLU 118 11.235 -10.383 5.469 856 HA GLU 118 HA GLU 118 11.370 -12.963 6.666 857 HB2 GLU 118 2HB GLU 118 12.361 -10.979 7.699 858 HB3 GLU 118 1HB GLU 118 10.776 -10.236 7.830 859 HG2 GLU 118 2HG GLU 118 10.129 -12.175 9.311 860 HG3 GLU 118 1HG GLU 118 11.844 -12.597 9.342 861 H ALA 119 HN ALA 119 8.934 -10.433 7.175 862 HA ALA 119 HA ALA 119 6.776 -12.286 6.681 863 HB1 ALA 119 1HB ALA 119 7.125 -11.060 9.414 864 HB2 ALA 119 2HB ALA 119 7.342 -12.766 9.019 865 HB3 ALA 119 3HB ALA 119 5.749 -12.019 8.875 866 H LEU 120 HN LEU 120 5.105 -11.243 5.826 867 HA LEU 120 HA LEU 120 4.860 -8.376 6.380 868 HB2 LEU 120 2HB LEU 120 4.032 -7.936 4.194 869 HB3 LEU 120 1HB LEU 120 5.549 -8.779 4.042 870 HG LEU 120 HG LEU 120 4.212 -9.597 2.322 871 HD11 LEU 120 1HD1 LEU 120 5.350 -11.389 3.512 872 HD12 LEU 120 2HD1 LEU 120 3.850 -11.938 2.766 873 HD13 LEU 120 3HD1 LEU 120 3.913 -11.643 4.503 874 HD21 LEU 120 3HD2 LEU 120 2.076 -8.719 3.011 875 HD22 LEU 120 1HD2 LEU 120 1.949 -9.947 4.271 876 HD23 LEU 120 2HD2 LEU 120 1.926 -10.421 2.572 877 H THR 121 HN THR 121 2.891 -7.601 6.926 878 HA THR 121 HA THR 121 0.573 -9.364 6.813 879 HB THR 121 HB THR 121 1.302 -8.125 9.459 880 HG1 THR 121 1HG THR 121 2.213 -10.516 8.298 881 HG21 THR 121 3HG2 THR 121 -0.233 -9.843 10.320 882 HG22 THR 121 1HG2 THR 121 -0.502 -10.415 8.675 883 HG23 THR 121 2HG2 THR 121 -1.024 -8.795 9.143 884 H ALA 122 HN ALA 122 -1.392 -8.221 7.250 885 HA ALA 122 HA ALA 122 -1.129 -5.310 6.964 886 HB1 ALA 122 1HB ALA 122 -3.416 -7.109 6.141 887 HB2 ALA 122 2HB ALA 122 -2.241 -6.358 5.060 888 HB3 ALA 122 3HB ALA 122 -3.372 -5.355 5.966 889 H TRP 123 HN TRP 123 -2.052 -4.023 8.418 890 HA TRP 123 HA TRP 123 -3.369 -5.365 10.679 891 HB2 TRP 123 2HB TRP 123 -1.476 -3.009 10.748 892 HB3 TRP 123 1HB TRP 123 -2.266 -3.735 12.144 893 HD1 TRP 123 1HD TRP 123 0.486 -4.463 9.560 894 HE1 TRP 123 1HE TRP 123 2.015 -6.300 10.526 895 HE3 TRP 123 3HE TRP 123 -2.210 -5.645 13.733 896 HZ2 TRP 123 2HZ TRP 123 2.059 -8.028 12.767 897 HZ3 TRP 123 3HZ TRP 123 -1.379 -7.401 15.226 898 HH2 TRP 123 2HH TRP 123 0.717 -8.569 14.752 899 H ALA 124 HN ALA 124 -5.034 -4.326 11.681 900 HA ALA 124 HA ALA 124 -6.120 -1.991 10.267 901 HB1 ALA 124 1HB ALA 124 -7.620 -3.922 10.382 902 HB2 ALA 124 2HB ALA 124 -8.261 -2.571 11.319 903 HB3 ALA 124 3HB ALA 124 -7.489 -3.927 12.141 904 H LEU 125 HN LEU 125 -6.077 -0.086 11.239 905 HA LEU 125 HA LEU 125 -4.967 0.127 13.890 906 HB2 LEU 125 2HB LEU 125 -4.290 1.715 12.155 907 HB3 LEU 125 1HB LEU 125 -5.949 2.247 11.966 908 HG LEU 125 HG LEU 125 -5.893 3.089 14.312 909 HD11 LEU 125 1HD1 LEU 125 -4.129 1.648 15.178 910 HD12 LEU 125 2HD1 LEU 125 -3.727 3.350 15.415 911 HD13 LEU 125 3HD1 LEU 125 -2.958 2.434 14.119 912 HD21 LEU 125 3HD2 LEU 125 -3.797 4.197 12.452 913 HD22 LEU 125 1HD2 LEU 125 -4.514 5.052 13.818 914 HD23 LEU 125 2HD2 LEU 125 -5.516 4.593 12.440 915 H ALA 126 HN ALA 126 -6.061 0.490 15.726 916 HA ALA 126 HA ALA 126 -8.854 0.342 15.908 917 HB1 ALA 126 1HB ALA 126 -7.425 -0.094 17.829 918 HB2 ALA 126 2HB ALA 126 -8.553 1.209 18.205 919 HB3 ALA 126 3HB ALA 126 -6.871 1.581 17.827 920 HA PRO 127 HA PRO 127 -9.918 4.308 14.157 921 HB2 PRO 127 2HB PRO 127 -12.433 4.441 15.331 922 HB3 PRO 127 1HB PRO 127 -12.064 3.651 13.795 923 HG2 PRO 127 2HG PRO 127 -12.378 2.462 16.515 924 HG3 PRO 127 1HG PRO 127 -12.890 1.821 14.944 925 HD2 PRO 127 2HD PRO 127 -10.720 0.881 16.198 926 HD3 PRO 127 1HD PRO 127 -10.764 1.045 14.429 927 H ASP 128 HN ASP 128 -9.995 3.521 17.524 928 HA ASP 128 HA ASP 128 -10.355 6.238 18.430 929 HB2 ASP 128 2HB ASP 128 -11.100 4.097 19.626 930 HB3 ASP 128 1HB ASP 128 -9.410 3.887 20.064 931 H ARG 129 HN ARG 129 -7.865 4.644 17.020 932 HA ARG 129 HA ARG 129 -5.647 5.007 16.755 933 HB2 ARG 129 2HB ARG 129 -6.300 7.556 18.238 934 HB3 ARG 129 1HB ARG 129 -4.714 7.208 17.568 935 HG2 ARG 129 2HG ARG 129 -5.612 7.130 15.343 936 HG3 ARG 129 1HG ARG 129 -7.254 7.315 15.961 937 HD2 ARG 129 2HD ARG 129 -6.416 9.426 15.087 938 HD3 ARG 129 1HD ARG 129 -6.679 9.529 16.827 939 HE ARG 129 HE ARG 129 -3.980 8.959 15.842 940 HH11 ARG 129 1HH1 ARG 129 -6.239 11.160 17.340 941 HH12 ARG 129 2HH1 ARG 129 -5.006 12.230 17.932 942 HH21 ARG 129 1HH2 ARG 129 -2.340 10.391 16.573 943 HH22 ARG 129 2HH2 ARG 129 -2.799 11.812 17.471 944 H SER 130 HN SER 130 -6.498 3.378 18.855 945 HA SER 130 HA SER 130 -4.852 3.995 21.163 946 HB2 SER 130 2HB SER 130 -6.496 1.505 20.727 947 HB3 SER 130 1HB SER 130 -6.007 2.234 22.256 948 HG SER 130 HG SER 130 -7.385 4.004 21.755 949 H GLU 131 HN GLU 131 -5.146 1.352 18.773 950 HA GLU 131 HA GLU 131 -2.331 0.827 18.812 951 HB2 GLU 131 2HB GLU 131 -2.548 -1.505 19.690 952 HB3 GLU 131 1HB GLU 131 -2.854 -0.264 20.898 953 HG2 GLU 131 2HG GLU 131 -5.286 -0.573 20.528 954 HG3 GLU 131 1HG GLU 131 -4.912 -1.908 19.438 955 H PHE 132 HN PHE 132 -2.092 -1.580 17.747 956 HA PHE 132 HA PHE 132 -3.811 -1.515 15.357 957 HB2 PHE 132 2HB PHE 132 -1.036 -2.618 15.808 958 HB3 PHE 132 1HB PHE 132 -1.984 -2.996 14.378 959 HD1 PHE 132 2HD PHE 132 -2.565 -1.227 12.778 960 HD2 PHE 132 1HD PHE 132 0.072 -0.541 16.046 961 HE1 PHE 132 2HE PHE 132 -1.706 0.783 11.655 962 HE2 PHE 132 1HE PHE 132 0.938 1.474 14.929 963 HZ PHE 132 HZ PHE 132 0.050 2.134 12.728 964 H HIS 133 HN HIS 133 -4.734 -3.443 14.595 965 HA HIS 133 HA HIS 133 -4.535 -5.738 16.418 966 HB2 HIS 133 2HB HIS 133 -7.033 -4.531 15.244 967 HB3 HIS 133 1HB HIS 133 -6.979 -6.203 15.795 968 HD1 HIS 133 1HD HIS 133 -6.951 -6.623 18.325 969 HD2 HIS 133 2HD HIS 133 -6.926 -2.594 17.295 970 HE1 HIS 133 1HE HIS 133 -7.422 -5.378 20.453 971 HE2 HIS 133 2HE HIS 133 -7.591 -2.960 19.773 972 H ARG 134 HN ARG 134 -4.832 -7.764 15.498 973 HA ARG 134 HA ARG 134 -3.695 -7.970 12.872 974 HB2 ARG 134 2HB ARG 134 -3.013 -9.481 14.657 975 HB3 ARG 134 1HB ARG 134 -4.663 -10.053 14.840 976 HG2 ARG 134 2HG ARG 134 -3.630 -11.734 13.635 977 HG3 ARG 134 1HG ARG 134 -4.461 -10.795 12.399 978 HD2 ARG 134 2HD ARG 134 -2.379 -9.624 11.891 979 HD3 ARG 134 1HD ARG 134 -1.549 -10.570 13.127 980 HE ARG 134 HE ARG 134 -2.833 -11.880 10.826 981 HH11 ARG 134 1HH1 ARG 134 -0.038 -11.319 12.864 982 HH12 ARG 134 2HH1 ARG 134 0.965 -12.462 12.019 983 HH21 ARG 134 1HH2 ARG 134 -1.544 -13.410 9.747 984 HH22 ARG 134 2HH2 ARG 134 0.097 -13.676 10.256 985 H GLU 135 HN GLU 135 -4.667 -8.620 11.008 986 HA GLU 135 HA GLU 135 -7.431 -9.566 11.118 987 HB2 GLU 135 2HB GLU 135 -7.498 -7.126 10.621 988 HB3 GLU 135 1HB GLU 135 -6.496 -7.409 9.207 989 HG2 GLU 135 2HG GLU 135 -8.249 -8.804 8.239 990 HG3 GLU 135 1HG GLU 135 -9.247 -8.542 9.668 991 H ASP 136 HN ASP 136 -8.024 -10.816 9.265 992 HA ASP 136 HA ASP 136 -5.729 -12.246 8.211 993 HB2 ASP 136 2HB ASP 136 -8.691 -12.792 8.085 994 HB3 ASP 136 1HB ASP 136 -7.496 -13.788 7.261 995 H ILE 137 HN ILE 137 -5.063 -12.301 6.172 996 HA ILE 137 HA ILE 137 -6.134 -10.342 4.321 997 HB ILE 137 HB ILE 137 -3.793 -12.242 4.033 998 HG12 ILE 137 2HG1 ILE 137 -3.840 -9.277 4.664 999 HG13 ILE 137 1HG1 ILE 137 -3.529 -10.555 5.838 1000 HG21 ILE 137 1HG2 ILE 137 -4.713 -11.580 1.875 1001 HG22 ILE 137 2HG2 ILE 137 -3.135 -10.840 2.145 1002 HG23 ILE 137 3HG2 ILE 137 -4.604 -9.884 2.341 1003 HD11 ILE 137 3HD1 ILE 137 -1.527 -11.189 4.600 1004 HD12 ILE 137 1HD1 ILE 137 -1.476 -9.504 5.116 1005 HD13 ILE 137 2HD1 ILE 137 -1.840 -9.901 3.436 1006 H VAL 138 HN VAL 138 -7.733 -10.848 2.993 1007 HA VAL 138 HA VAL 138 -8.083 -13.679 2.252 1008 HB VAL 138 HB VAL 138 -10.351 -11.864 1.833 1009 HG11 VAL 138 1HG1 VAL 138 -11.603 -13.785 2.680 1010 HG12 VAL 138 2HG1 VAL 138 -10.086 -14.597 3.066 1011 HG13 VAL 138 3HG1 VAL 138 -10.493 -14.239 1.388 1012 HG21 VAL 138 3HG2 VAL 138 -11.075 -11.888 4.175 1013 HG22 VAL 138 1HG2 VAL 138 -9.574 -10.985 3.971 1014 HG23 VAL 138 2HG2 VAL 138 -9.538 -12.617 4.640 1015 H ARG 139 HN ARG 139 -8.875 -14.121 0.151 1016 HA ARG 139 HA ARG 139 -7.743 -12.440 -1.883 1017 HB2 ARG 139 2HB ARG 139 -9.322 -15.020 -1.977 1018 HB3 ARG 139 1HB ARG 139 -8.659 -14.228 -3.396 1019 HG2 ARG 139 2HG ARG 139 -6.443 -14.607 -2.709 1020 HG3 ARG 139 1HG ARG 139 -6.946 -15.031 -1.073 1021 HD2 ARG 139 2HD ARG 139 -6.315 -17.014 -2.329 1022 HD3 ARG 139 1HD ARG 139 -8.028 -17.048 -1.923 1023 HE ARG 139 HE ARG 139 -7.085 -16.226 -4.597 1024 HH11 ARG 139 1HH1 ARG 139 -9.086 -18.204 -2.511 1025 HH12 ARG 139 2HH1 ARG 139 -9.966 -18.930 -3.826 1026 HH21 ARG 139 1HH2 ARG 139 -8.206 -17.191 -6.333 1027 HH22 ARG 139 2HH2 ARG 139 -9.457 -18.364 -6.016 1028 HA PRO 140 HA PRO 140 -11.294 -9.981 -2.788 1029 HB2 PRO 140 2HB PRO 140 -10.629 -10.333 -5.647 1030 HB3 PRO 140 1HB PRO 140 -10.740 -8.851 -4.693 1031 HG2 PRO 140 2HG PRO 140 -8.374 -9.819 -5.471 1032 HG3 PRO 140 1HG PRO 140 -8.582 -9.050 -3.886 1033 HD2 PRO 140 2HD PRO 140 -8.410 -11.959 -4.571 1034 HD3 PRO 140 1HD PRO 140 -7.710 -11.080 -3.197 1035 H ASP 141 HN ASP 141 -13.397 -10.385 -3.107 1036 HA ASP 141 HA ASP 141 -14.296 -13.005 -3.641 1037 HB2 ASP 141 2HB ASP 141 -16.013 -10.530 -3.810 1038 HB3 ASP 141 1HB ASP 141 -16.484 -12.149 -3.301 1039 HA PRO 142 HA PRO 142 -14.081 -12.551 -8.042 1040 HB2 PRO 142 2HB PRO 142 -14.555 -15.099 -8.719 1041 HB3 PRO 142 1HB PRO 142 -13.052 -14.616 -7.922 1042 HG2 PRO 142 2HG PRO 142 -15.474 -15.930 -6.769 1043 HG3 PRO 142 1HG PRO 142 -13.764 -16.215 -6.409 1044 HD2 PRO 142 2HD PRO 142 -15.485 -14.665 -4.878 1045 HD3 PRO 142 1HD PRO 142 -13.713 -14.565 -4.841 1046 H GLU 143 HN GLU 143 -16.694 -12.393 -6.450 1047 HA GLU 143 HA GLU 143 -18.381 -12.276 -8.810 1048 HB2 GLU 143 2HB GLU 143 -19.324 -13.666 -6.311 1049 HB3 GLU 143 1HB GLU 143 -20.270 -13.382 -7.757 1050 HG2 GLU 143 2HG GLU 143 -18.589 -14.806 -8.986 1051 HG3 GLU 143 1HG GLU 143 -17.955 -15.259 -7.405 1052 H ALA 144 HN ALA 144 -18.366 -10.145 -8.669 1053 HA ALA 144 HA ALA 144 -19.850 -8.929 -6.462 1054 HB1 ALA 144 1HB ALA 144 -17.463 -8.575 -5.998 1055 HB2 ALA 144 2HB ALA 144 -18.284 -7.056 -6.355 1056 HB3 ALA 144 3HB ALA 144 -17.272 -7.821 -7.579 1057 HA PRO 145 HA PRO 145 -21.938 -7.106 -9.959 1058 HB2 PRO 145 2HB PRO 145 -23.215 -5.348 -8.015 1059 HB3 PRO 145 1HB PRO 145 -23.939 -6.588 -9.037 1060 HG2 PRO 145 2HG PRO 145 -23.704 -6.853 -6.345 1061 HG3 PRO 145 1HG PRO 145 -23.685 -8.228 -7.462 1062 HD2 PRO 145 2HD PRO 145 -21.405 -6.882 -6.073 1063 HD3 PRO 145 1HD PRO 145 -21.658 -8.604 -6.425 1064 H LEU 146 HN LEU 146 -21.316 -5.484 -11.214 1065 HA LEU 146 HA LEU 146 -19.531 -3.467 -10.111 1066 HB2 LEU 146 2HB LEU 146 -20.295 -4.059 -12.972 1067 HB3 LEU 146 1HB LEU 146 -19.050 -2.946 -12.455 1068 HG LEU 146 HG LEU 146 -19.015 -5.928 -12.055 1069 HD11 LEU 146 1HD1 LEU 146 -17.412 -4.144 -13.872 1070 HD12 LEU 146 2HD1 LEU 146 -18.638 -5.315 -14.360 1071 HD13 LEU 146 3HD1 LEU 146 -17.134 -5.869 -13.625 1072 HD21 LEU 146 3HD2 LEU 146 -16.930 -3.863 -11.360 1073 HD22 LEU 146 1HD2 LEU 146 -16.750 -5.613 -11.210 1074 HD23 LEU 146 2HD2 LEU 146 -17.922 -4.757 -10.207 1075 H GLU 147 HN GLU 147 -22.523 -3.664 -12.008 1076 HA GLU 147 HA GLU 147 -22.922 -0.824 -11.790 1077 HB2 GLU 147 2HB GLU 147 -25.048 -1.449 -13.051 1078 HB3 GLU 147 1HB GLU 147 -23.524 -1.621 -13.892 1079 HG2 GLU 147 2HG GLU 147 -23.564 -4.028 -13.399 1080 HG3 GLU 147 1HG GLU 147 -25.118 -3.815 -12.598 1081 H HIS 148 HN HIS 148 -22.864 -1.462 -9.337 1082 HA HIS 148 HA HIS 148 -25.232 -2.380 -8.118 1083 HB2 HIS 148 2HB HIS 148 -24.401 -1.275 -6.077 1084 HB3 HIS 148 1HB HIS 148 -23.138 -2.208 -6.863 1085 HD1 HIS 148 1HD HIS 148 -23.605 0.894 -5.233 1086 HD2 HIS 148 2HD HIS 148 -21.494 -0.308 -8.613 1087 HE1 HIS 148 1HE HIS 148 -21.879 2.679 -5.632 1088 HE2 HIS 148 2HE HIS 148 -20.444 1.774 -7.495 1089 H HIS 149 HN HIS 149 -27.069 -1.315 -7.428 1090 HA HIS 149 HA HIS 149 -27.749 0.913 -9.103 1091 HB2 HIS 149 2HB HIS 149 -29.311 -0.979 -8.656 1092 HB3 HIS 149 1HB HIS 149 -29.453 -0.417 -6.994 1093 HD1 HIS 149 1HD HIS 149 -31.436 0.980 -6.607 1094 HD2 HIS 149 2HD HIS 149 -30.063 1.290 -10.520 1095 HE1 HIS 149 1HE HIS 149 -33.041 2.529 -7.774 1096 HE2 HIS 149 2HE HIS 149 -32.047 2.880 -10.060 1097 H HIS 150 HN HIS 150 -26.114 2.282 -8.087 1098 HA HIS 150 HA HIS 150 -27.498 4.207 -6.464 1099 HB2 HIS 150 2HB HIS 150 -26.301 2.530 -4.851 1100 HB3 HIS 150 1HB HIS 150 -24.825 3.318 -5.392 1101 HD1 HIS 150 1HD HIS 150 -27.213 3.477 -2.772 1102 HD2 HIS 150 2HD HIS 150 -25.100 6.325 -4.956 1103 HE1 HIS 150 1HE HIS 150 -27.289 5.589 -1.400 1104 HE2 HIS 150 2HE HIS 150 -26.075 7.316 -2.771 1105 H HIS 151 HN HIS 151 -27.121 4.853 -8.783 1106 HA HIS 151 HA HIS 151 -24.402 5.409 -9.564 1107 HB2 HIS 151 2HB HIS 151 -27.051 5.926 -10.915 1108 HB3 HIS 151 1HB HIS 151 -25.511 6.413 -11.610 1109 HD1 HIS 151 1HD HIS 151 -27.869 3.777 -11.823 1110 HD2 HIS 151 2HD HIS 151 -23.710 3.974 -11.787 1111 HE1 HIS 151 1HE HIS 151 -27.073 1.609 -12.817 1112 HE2 HIS 151 2HE HIS 151 -24.582 1.886 -13.042 1113 H HIS 152 HN HIS 152 -23.980 6.812 -7.739 1114 HA HIS 152 HA HIS 152 -24.993 9.543 -8.139 1115 HB2 HIS 152 2HB HIS 152 -25.223 8.573 -5.852 1116 HB3 HIS 152 1HB HIS 152 -23.472 8.405 -5.778 1117 HD1 HIS 152 1HD HIS 152 -26.206 10.970 -5.658 1118 HD2 HIS 152 2HD HIS 152 -22.070 10.750 -5.245 1119 HE1 HIS 152 1HE HIS 152 -25.490 13.208 -4.755 1120 HE2 HIS 152 2HE HIS 152 -22.975 13.102 -4.646 1121 H HIS 153 HN HIS 153 -23.682 11.050 -8.966 1122 HA HIS 153 HA HIS 153 -20.798 10.713 -8.802 1123 HB2 HIS 153 2HB HIS 153 -20.526 11.159 -11.245 1124 HB3 HIS 153 1HB HIS 153 -21.258 9.601 -10.894 1125 HD1 HIS 153 1HD HIS 153 -22.217 13.058 -12.108 1126 HD2 HIS 153 2HD HIS 153 -23.687 9.171 -12.101 1127 HE1 HIS 153 1HE HIS 153 -24.221 13.093 -13.626 1128 HE2 HIS 153 2HE HIS 153 -25.019 10.704 -13.713 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -8.985 -5.710 5.202 2 H2 MET 1 H2 MET 1 -8.818 -7.366 4.915 3 H3 MET 1 H3 MET 1 -10.069 -6.498 4.170 4 HA MET 1 HA MET 1 -8.531 -5.254 2.862 5 HB2 MET 1 2HB MET 1 -6.718 -5.126 4.482 6 HB3 MET 1 1HB MET 1 -6.449 -6.861 4.361 7 HG2 MET 1 2HG MET 1 -5.850 -6.538 1.972 8 HG3 MET 1 1HG MET 1 -5.987 -4.799 2.217 9 HE1 MET 1 2HE MET 1 -2.106 -5.399 1.929 10 HE2 MET 1 3HE MET 1 -3.498 -4.546 1.259 11 HE3 MET 1 1HE MET 1 -3.363 -6.296 1.077 12 H LYS 2 HN LYS 2 -9.333 -6.183 1.043 13 HA LYS 2 HA LYS 2 -8.726 -9.003 0.511 14 HB2 LYS 2 2HB LYS 2 -10.506 -7.028 -0.918 15 HB3 LYS 2 1HB LYS 2 -10.106 -8.600 -1.585 16 HG2 LYS 2 2HG LYS 2 -12.089 -9.090 -0.622 17 HG3 LYS 2 1HG LYS 2 -11.028 -9.431 0.740 18 HD2 LYS 2 2HD LYS 2 -11.646 -7.537 1.878 19 HD3 LYS 2 1HD LYS 2 -12.106 -6.675 0.410 20 HE2 LYS 2 2HE LYS 2 -14.051 -7.265 1.788 21 HE3 LYS 2 1HE LYS 2 -14.107 -8.025 0.201 22 HZ1 LYS 2 3HZ LYS 2 -14.756 -9.533 1.986 23 HZ2 LYS 2 1HZ LYS 2 -13.232 -9.365 2.707 24 HZ3 LYS 2 2HZ LYS 2 -13.380 -10.092 1.179 25 H THR 3 HN THR 3 -7.048 -9.551 -0.721 26 HA THR 3 HA THR 3 -6.394 -7.999 -3.044 27 HB THR 3 HB THR 3 -5.117 -6.768 -1.311 28 HG1 THR 3 1HG THR 3 -3.654 -6.474 -2.810 29 HG21 THR 3 3HG2 THR 3 -3.592 -9.354 -1.008 30 HG22 THR 3 1HG2 THR 3 -4.655 -8.637 0.203 31 HG23 THR 3 2HG2 THR 3 -3.173 -7.807 -0.271 32 H THR 4 HN THR 4 -4.804 -9.068 -4.401 33 HA THR 4 HA THR 4 -5.306 -11.914 -4.315 34 HB THR 4 HB THR 4 -4.162 -11.866 -6.570 35 HG1 THR 4 1HG THR 4 -3.654 -9.875 -7.451 36 HG21 THR 4 3HG2 THR 4 -6.023 -10.748 -7.706 37 HG22 THR 4 1HG2 THR 4 -6.495 -9.986 -6.188 38 HG23 THR 4 2HG2 THR 4 -6.598 -11.738 -6.363 39 HA PRO 5 HA PRO 5 -1.372 -13.306 -2.852 40 HB2 PRO 5 2HB PRO 5 -0.910 -15.369 -4.625 41 HB3 PRO 5 1HB PRO 5 -1.946 -15.491 -3.202 42 HG2 PRO 5 2HG PRO 5 -2.693 -15.032 -6.057 43 HG3 PRO 5 1HG PRO 5 -3.497 -16.034 -4.835 44 HD2 PRO 5 2HD PRO 5 -4.439 -13.620 -5.528 45 HD3 PRO 5 1HD PRO 5 -4.553 -14.227 -3.864 46 H ASP 6 HN ASP 6 -1.855 -12.727 -6.267 47 HA ASP 6 HA ASP 6 0.815 -12.524 -7.093 48 HB2 ASP 6 2HB ASP 6 -0.932 -12.642 -8.725 49 HB3 ASP 6 1HB ASP 6 -1.689 -11.191 -8.089 50 H ILE 7 HN ILE 7 -1.440 -10.015 -5.958 51 HA ILE 7 HA ILE 7 0.451 -7.912 -6.045 52 HB ILE 7 HB ILE 7 -2.106 -8.186 -4.460 53 HG12 ILE 7 2HG1 ILE 7 -2.434 -8.156 -6.878 54 HG13 ILE 7 1HG1 ILE 7 -3.006 -6.650 -6.169 55 HG21 ILE 7 1HG2 ILE 7 -0.443 -5.703 -4.886 56 HG22 ILE 7 2HG2 ILE 7 -0.588 -6.594 -3.371 57 HG23 ILE 7 3HG2 ILE 7 -2.001 -5.795 -4.060 58 HD11 ILE 7 3HD1 ILE 7 -0.951 -5.539 -6.890 59 HD12 ILE 7 1HD1 ILE 7 -1.821 -6.254 -8.250 60 HD13 ILE 7 2HD1 ILE 7 -0.387 -7.052 -7.601 61 H LEU 8 HN LEU 8 -0.620 -10.085 -3.458 62 HA LEU 8 HA LEU 8 0.879 -9.046 -1.352 63 HB2 LEU 8 2HB LEU 8 0.022 -11.861 -1.980 64 HB3 LEU 8 1HB LEU 8 0.871 -11.445 -0.503 65 HG LEU 8 HG LEU 8 -1.773 -10.247 -1.327 66 HD11 LEU 8 1HD1 LEU 8 -2.745 -11.701 0.388 67 HD12 LEU 8 2HD1 LEU 8 -1.174 -12.466 0.628 68 HD13 LEU 8 3HD1 LEU 8 -2.010 -12.636 -0.916 69 HD21 LEU 8 3HD2 LEU 8 -1.834 -9.534 1.039 70 HD22 LEU 8 1HD2 LEU 8 -0.500 -8.808 0.140 71 HD23 LEU 8 2HD2 LEU 8 -0.193 -10.150 1.242 72 H ASP 9 HN ASP 9 1.770 -11.434 -3.805 73 HA ASP 9 HA ASP 9 4.356 -11.976 -2.841 74 HB2 ASP 9 2HB ASP 9 3.137 -13.315 -4.580 75 HB3 ASP 9 1HB ASP 9 3.466 -12.028 -5.732 76 H GLN 10 HN GLN 10 3.157 -9.610 -5.183 77 HA GLN 10 HA GLN 10 5.628 -8.490 -5.886 78 HB2 GLN 10 2HB GLN 10 2.895 -7.205 -5.795 79 HB3 GLN 10 1HB GLN 10 4.307 -6.484 -6.554 80 HG2 GLN 10 2HG GLN 10 4.429 -8.517 -8.018 81 HG3 GLN 10 1HG GLN 10 2.862 -8.990 -7.364 82 HE21 GLN 10 1HE2 GLN 10 1.796 -8.829 -9.312 83 HE22 GLN 10 2HE2 GLN 10 1.506 -7.318 -10.103 84 H ILE 11 HN ILE 11 3.485 -7.836 -3.156 85 HA ILE 11 HA ILE 11 4.849 -5.551 -2.193 86 HB ILE 11 HB ILE 11 3.298 -7.586 -0.573 87 HG12 ILE 11 2HG1 ILE 11 2.369 -4.979 -1.803 88 HG13 ILE 11 1HG1 ILE 11 1.988 -6.581 -2.431 89 HG21 ILE 11 1HG2 ILE 11 3.032 -5.768 1.044 90 HG22 ILE 11 2HG2 ILE 11 4.030 -4.720 0.038 91 HG23 ILE 11 3HG2 ILE 11 4.736 -6.150 0.793 92 HD11 ILE 11 3HD1 ILE 11 0.127 -5.687 -1.165 93 HD12 ILE 11 1HD1 ILE 11 1.162 -5.471 0.247 94 HD13 ILE 11 2HD1 ILE 11 0.805 -7.092 -0.345 95 H ARG 12 HN ARG 12 5.249 -9.020 -1.563 96 HA ARG 12 HA ARG 12 7.285 -8.808 0.331 97 HB2 ARG 12 2HB ARG 12 6.066 -10.843 0.132 98 HB3 ARG 12 1HB ARG 12 6.415 -10.962 -1.588 99 HG2 ARG 12 2HG ARG 12 8.671 -11.466 -1.186 100 HG3 ARG 12 1HG ARG 12 8.509 -11.067 0.519 101 HD2 ARG 12 2HD ARG 12 8.565 -13.499 0.135 102 HD3 ARG 12 1HD ARG 12 7.051 -12.970 0.862 103 HE ARG 12 HE ARG 12 7.011 -13.181 -2.026 104 HH11 ARG 12 1HH1 ARG 12 6.468 -14.813 1.012 105 HH12 ARG 12 2HH1 ARG 12 5.391 -16.003 0.348 106 HH21 ARG 12 1HH2 ARG 12 5.575 -14.728 -2.940 107 HH22 ARG 12 2HH2 ARG 12 4.869 -15.944 -1.902 108 H VAL 13 HN VAL 13 7.363 -9.374 -3.188 109 HA VAL 13 HA VAL 13 10.138 -9.440 -3.516 110 HB VAL 13 HB VAL 13 8.078 -8.392 -5.467 111 HG11 VAL 13 1HG1 VAL 13 10.900 -9.361 -5.918 112 HG12 VAL 13 2HG1 VAL 13 10.312 -7.710 -6.117 113 HG13 VAL 13 3HG1 VAL 13 9.740 -8.985 -7.194 114 HG21 VAL 13 3HG2 VAL 13 9.228 -11.160 -5.135 115 HG22 VAL 13 1HG2 VAL 13 8.127 -10.650 -6.414 116 HG23 VAL 13 2HG2 VAL 13 7.582 -10.664 -4.736 117 H HIS 14 HN HIS 14 7.895 -6.761 -3.314 118 HA HIS 14 HA HIS 14 9.463 -4.644 -4.141 119 HB2 HIS 14 2HB HIS 14 7.135 -4.310 -3.671 120 HB3 HIS 14 1HB HIS 14 7.345 -4.782 -1.989 121 HD1 HIS 14 1HD HIS 14 7.590 -2.913 -0.392 122 HD2 HIS 14 2HD HIS 14 8.605 -1.781 -4.259 123 HE1 HIS 14 1HE HIS 14 8.062 -0.451 -0.269 124 HE2 HIS 14 2HE HIS 14 8.890 0.155 -2.565 125 H GLY 15 HN GLY 15 9.639 -6.450 -1.140 126 HA2 GLY 15 2HA GLY 15 11.089 -4.595 0.402 127 HA3 GLY 15 1HA GLY 15 11.135 -6.340 0.608 128 H ALA 16 HN ALA 16 12.278 -7.253 -1.649 129 HA ALA 16 HA ALA 16 15.010 -6.421 -1.390 130 HB1 ALA 16 1HB ALA 16 14.444 -8.754 -1.790 131 HB2 ALA 16 2HB ALA 16 15.460 -8.128 -3.089 132 HB3 ALA 16 3HB ALA 16 13.727 -8.328 -3.344 133 H ASP 17 HN ASP 17 12.450 -6.011 -3.737 134 HA ASP 17 HA ASP 17 14.025 -5.131 -5.896 135 HB2 ASP 17 2HB ASP 17 11.715 -6.075 -6.002 136 HB3 ASP 17 1HB ASP 17 11.119 -4.556 -5.363 137 H ALA 18 HN ALA 18 12.332 -3.387 -3.365 138 HA ALA 18 HA ALA 18 12.847 -0.826 -4.578 139 HB1 ALA 18 1HB ALA 18 10.826 -1.241 -3.263 140 HB2 ALA 18 2HB ALA 18 11.765 0.109 -2.627 141 HB3 ALA 18 3HB ALA 18 11.818 -1.458 -1.821 142 H TYR 19 HN TYR 19 14.287 -2.764 -2.024 143 HA TYR 19 HA TYR 19 15.781 -0.614 -0.882 144 HB2 TYR 19 2HB TYR 19 15.746 -3.588 -0.537 145 HB3 TYR 19 1HB TYR 19 17.106 -2.673 0.102 146 HD1 TYR 19 2HD TYR 19 13.409 -2.065 0.005 147 HD2 TYR 19 1HD TYR 19 16.918 -2.430 2.388 148 HE1 TYR 19 2HE TYR 19 12.097 -1.517 2.007 149 HE2 TYR 19 1HE TYR 19 15.613 -1.879 4.400 150 HH TYR 19 HH TYR 19 13.478 -0.652 4.935 151 HA PRO 20 HA PRO 20 17.847 -0.512 0.228 152 HB2 PRO 20 2HB PRO 20 19.808 1.472 -0.485 153 HB3 PRO 20 1HB PRO 20 20.010 0.035 0.518 154 HG2 PRO 20 2HG PRO 20 21.177 0.360 -1.946 155 HG3 PRO 20 1HG PRO 20 20.820 -1.213 -1.211 156 HD2 PRO 20 2HD PRO 20 19.284 0.300 -3.292 157 HD3 PRO 20 1HD PRO 20 19.632 -1.442 -3.187 158 H GLU 21 HN GLU 21 16.866 0.941 -2.597 159 HA GLU 21 HA GLU 21 16.590 3.657 -1.860 160 HB2 GLU 21 2HB GLU 21 15.053 1.994 -3.860 161 HB3 GLU 21 1HB GLU 21 14.975 3.746 -3.745 162 HG2 GLU 21 2HG GLU 21 17.589 2.355 -4.154 163 HG3 GLU 21 1HG GLU 21 16.508 2.674 -5.510 164 H GLU 22 HN GLU 22 13.915 4.249 -2.401 165 HA GLU 22 HA GLU 22 12.864 4.229 0.180 166 HB2 GLU 22 2HB GLU 22 12.287 5.911 -1.511 167 HB3 GLU 22 1HB GLU 22 11.404 4.696 -2.424 168 HG2 GLU 22 2HG GLU 22 9.914 6.130 -1.119 169 HG3 GLU 22 1HG GLU 22 9.816 4.442 -0.619 170 H GLY 23 HN GLY 23 11.610 2.894 1.298 171 HA2 GLY 23 2HA GLY 23 10.663 0.464 -0.079 172 HA3 GLY 23 1HA GLY 23 11.127 0.534 1.614 173 H CYS 24 HN CYS 24 9.544 3.322 1.137 174 HA CYS 24 HA CYS 24 7.080 2.221 2.244 175 HB2 CYS 24 2HB CYS 24 7.884 5.117 1.907 176 HB3 CYS 24 1HB CYS 24 6.560 4.493 2.887 177 HG CYS 24 HG CYS 24 9.902 4.302 3.491 178 H GLY 25 HN GLY 25 4.995 3.113 1.504 179 HA2 GLY 25 2HA GLY 25 4.684 4.466 -0.938 180 HA3 GLY 25 1HA GLY 25 4.611 2.737 -1.248 181 H PHE 26 HN PHE 26 2.399 3.577 -1.970 182 HA PHE 26 HA PHE 26 0.557 3.535 0.325 183 HB2 PHE 26 2HB PHE 26 0.300 5.160 -2.213 184 HB3 PHE 26 1HB PHE 26 -0.942 5.033 -0.975 185 HD1 PHE 26 2HD PHE 26 -0.686 6.148 1.163 186 HD2 PHE 26 1HD PHE 26 2.299 6.473 -1.857 187 HE1 PHE 26 2HE PHE 26 0.315 8.053 2.359 188 HE2 PHE 26 1HE PHE 26 3.301 8.376 -0.667 189 HZ PHE 26 HZ PHE 26 2.311 9.167 1.444 190 H LEU 27 HN LEU 27 -1.408 2.464 0.033 191 HA LEU 27 HA LEU 27 -1.396 0.473 -2.115 192 HB2 LEU 27 2HB LEU 27 -3.124 0.725 0.354 193 HB3 LEU 27 1HB LEU 27 -3.211 -0.590 -0.802 194 HG LEU 27 HG LEU 27 -0.788 0.047 0.880 195 HD11 LEU 27 1HD1 LEU 27 -2.874 -2.100 1.233 196 HD12 LEU 27 2HD1 LEU 27 -2.676 -0.677 2.255 197 HD13 LEU 27 3HD1 LEU 27 -1.410 -1.904 2.195 198 HD21 LEU 27 3HD2 LEU 27 -1.459 -2.320 -0.866 199 HD22 LEU 27 1HD2 LEU 27 -0.035 -2.171 0.164 200 HD23 LEU 27 2HD2 LEU 27 -0.248 -1.082 -1.208 201 H LEU 28 HN LEU 28 -2.582 0.815 -3.880 202 HA LEU 28 HA LEU 28 -4.797 2.741 -3.713 203 HB2 LEU 28 2HB LEU 28 -3.364 1.707 -6.165 204 HB3 LEU 28 1HB LEU 28 -4.587 2.962 -6.132 205 HG LEU 28 HG LEU 28 -1.829 3.146 -4.917 206 HD11 LEU 28 1HD1 LEU 28 -1.785 3.259 -7.339 207 HD12 LEU 28 2HD1 LEU 28 -1.446 4.843 -6.642 208 HD13 LEU 28 3HD1 LEU 28 -3.037 4.501 -7.325 209 HD21 LEU 28 3HD2 LEU 28 -3.411 4.393 -3.582 210 HD22 LEU 28 1HD2 LEU 28 -4.060 5.169 -5.026 211 HD23 LEU 28 2HD2 LEU 28 -2.406 5.503 -4.515 212 H GLY 29 HN GLY 29 -6.843 2.082 -4.059 213 HA2 GLY 29 2HA GLY 29 -7.535 -0.196 -5.609 214 HA3 GLY 29 1HA GLY 29 -7.542 -0.600 -3.897 215 H THR 30 HN THR 30 -9.776 -0.988 -3.985 216 HA THR 30 HA THR 30 -11.367 1.476 -3.869 217 HB THR 30 HB THR 30 -12.819 -0.823 -4.928 218 HG1 THR 30 1HG THR 30 -10.678 0.377 -6.352 219 HG21 THR 30 3HG2 THR 30 -13.828 1.379 -4.716 220 HG22 THR 30 1HG2 THR 30 -13.763 0.895 -6.411 221 HG23 THR 30 2HG2 THR 30 -12.599 2.059 -5.781 222 H VAL 31 HN VAL 31 -13.391 1.156 -2.666 223 HA VAL 31 HA VAL 31 -12.952 -0.796 -0.519 224 HB VAL 31 HB VAL 31 -14.868 1.542 -0.504 225 HG11 VAL 31 1HG1 VAL 31 -14.867 1.190 1.926 226 HG12 VAL 31 2HG1 VAL 31 -13.816 -0.210 1.712 227 HG13 VAL 31 3HG1 VAL 31 -15.451 -0.230 1.055 228 HG21 VAL 31 3HG2 VAL 31 -12.597 2.374 -0.711 229 HG22 VAL 31 1HG2 VAL 31 -12.079 1.350 0.628 230 HG23 VAL 31 2HG2 VAL 31 -13.208 2.675 0.916 231 H THR 32 HN THR 32 -14.051 -2.562 -0.501 232 HA THR 32 HA THR 32 -16.141 -2.995 -2.437 233 HB THR 32 HB THR 32 -15.189 -4.933 -0.358 234 HG1 THR 32 1HG THR 32 -13.864 -3.893 -2.569 235 HG21 THR 32 3HG2 THR 32 -16.256 -5.300 -3.148 236 HG22 THR 32 1HG2 THR 32 -17.146 -5.586 -1.653 237 HG23 THR 32 2HG2 THR 32 -15.756 -6.593 -2.058 238 H ASP 33 HN ASP 33 -18.105 -2.373 -1.966 239 HA ASP 33 HA ASP 33 -20.154 -2.186 -0.990 240 HB2 ASP 33 2HB ASP 33 -19.471 -4.657 -0.434 241 HB3 ASP 33 1HB ASP 33 -19.346 -4.050 1.208 242 H ASP 34 HN ASP 34 -17.506 -0.999 0.171 243 HA ASP 34 HA ASP 34 -16.853 0.526 1.715 244 HB2 ASP 34 2HB ASP 34 -19.067 1.582 1.086 245 HB3 ASP 34 1HB ASP 34 -19.756 0.807 2.506 246 H GLY 35 HN GLY 35 -17.518 -2.387 2.305 247 HA2 GLY 35 2HA GLY 35 -17.691 -2.259 5.234 248 HA3 GLY 35 1HA GLY 35 -17.831 -3.712 4.251 249 H ASP 36 HN ASP 36 -15.599 -3.443 2.653 250 HA ASP 36 HA ASP 36 -13.295 -3.131 4.405 251 HB2 ASP 36 2HB ASP 36 -14.031 -5.510 4.616 252 HB3 ASP 36 1HB ASP 36 -13.794 -5.706 2.888 253 H ASN 37 HN ASN 37 -11.261 -3.193 3.124 254 HA ASN 37 HA ASN 37 -11.843 -1.970 0.512 255 HB2 ASN 37 2HB ASN 37 -9.858 -0.682 0.731 256 HB3 ASN 37 1HB ASN 37 -10.676 -0.595 2.283 257 HD21 ASN 37 1HD2 ASN 37 -9.758 -1.626 4.076 258 HD22 ASN 37 2HD2 ASN 37 -8.109 -2.153 4.075 259 H ARG 38 HN ARG 38 -10.712 -2.526 -1.322 260 HA ARG 38 HA ARG 38 -8.979 -4.889 -1.073 261 HB2 ARG 38 2HB ARG 38 -9.694 -5.752 -3.093 262 HB3 ARG 38 1HB ARG 38 -11.185 -5.111 -2.421 263 HG2 ARG 38 2HG ARG 38 -11.302 -3.452 -3.947 264 HG3 ARG 38 1HG ARG 38 -9.568 -3.348 -4.162 265 HD2 ARG 38 2HD ARG 38 -11.171 -5.711 -5.106 266 HD3 ARG 38 1HD ARG 38 -10.897 -4.290 -6.116 267 HE ARG 38 HE ARG 38 -8.436 -5.234 -5.082 268 HH11 ARG 38 1HH1 ARG 38 -10.870 -6.141 -7.435 269 HH12 ARG 38 2HH1 ARG 38 -9.735 -6.907 -8.506 270 HH21 ARG 38 1HH2 ARG 38 -6.941 -6.214 -6.477 271 HH22 ARG 38 2HH2 ARG 38 -7.479 -6.917 -7.975 272 H VAL 39 HN VAL 39 -7.167 -4.966 -2.285 273 HA VAL 39 HA VAL 39 -6.113 -2.369 -3.140 274 HB VAL 39 HB VAL 39 -4.610 -4.951 -2.644 275 HG11 VAL 39 1HG1 VAL 39 -2.608 -3.531 -2.697 276 HG12 VAL 39 2HG1 VAL 39 -3.613 -2.145 -3.126 277 HG13 VAL 39 3HG1 VAL 39 -3.473 -3.510 -4.233 278 HG21 VAL 39 3HG2 VAL 39 -3.808 -3.854 -0.593 279 HG22 VAL 39 1HG2 VAL 39 -5.553 -4.103 -0.575 280 HG23 VAL 39 2HG2 VAL 39 -4.895 -2.501 -0.905 281 H ALA 40 HN ALA 40 -5.683 -1.961 -5.234 282 HA ALA 40 HA ALA 40 -6.049 -4.202 -7.120 283 HB1 ALA 40 1HB ALA 40 -7.940 -2.640 -7.164 284 HB2 ALA 40 2HB ALA 40 -7.054 -2.635 -8.688 285 HB3 ALA 40 3HB ALA 40 -6.833 -1.319 -7.537 286 H ALA 41 HN ALA 41 -4.097 -1.514 -6.153 287 HA ALA 41 HA ALA 41 -2.049 -2.336 -8.031 288 HB1 ALA 41 1HB ALA 41 -3.320 -0.700 -9.338 289 HB2 ALA 41 2HB ALA 41 -1.700 -0.114 -8.958 290 HB3 ALA 41 3HB ALA 41 -3.088 0.495 -8.059 291 H LEU 42 HN LEU 42 0.009 -1.814 -7.370 292 HA LEU 42 HA LEU 42 0.233 -0.659 -4.679 293 HB2 LEU 42 2HB LEU 42 2.236 -2.230 -6.311 294 HB3 LEU 42 1HB LEU 42 2.485 -1.660 -4.673 295 HG LEU 42 HG LEU 42 0.398 -3.677 -5.500 296 HD11 LEU 42 1HD1 LEU 42 1.829 -5.293 -4.329 297 HD12 LEU 42 2HD1 LEU 42 3.049 -4.037 -4.110 298 HD13 LEU 42 3HD1 LEU 42 2.633 -4.589 -5.732 299 HD21 LEU 42 3HD2 LEU 42 0.134 -4.024 -3.092 300 HD22 LEU 42 1HD2 LEU 42 -0.255 -2.367 -3.551 301 HD23 LEU 42 2HD2 LEU 42 1.289 -2.727 -2.781 302 H HIS 43 HN HIS 43 1.215 1.291 -4.379 303 HA HIS 43 HA HIS 43 2.625 2.409 -6.710 304 HB2 HIS 43 2HB HIS 43 0.469 3.558 -6.188 305 HB3 HIS 43 1HB HIS 43 1.119 3.982 -4.606 306 HD1 HIS 43 1HD HIS 43 1.633 4.684 -8.285 307 HD2 HIS 43 2HD HIS 43 2.775 6.184 -4.571 308 HE1 HIS 43 1HE HIS 43 2.785 6.871 -8.757 309 HE2 HIS 43 2HE HIS 43 3.634 7.652 -6.517 310 H ARG 44 HN ARG 44 4.690 2.703 -6.431 311 HA ARG 44 HA ARG 44 5.828 2.792 -3.750 312 HB2 ARG 44 2HB ARG 44 7.002 2.519 -6.505 313 HB3 ARG 44 1HB ARG 44 8.020 2.931 -5.134 314 HG2 ARG 44 2HG ARG 44 8.196 0.604 -5.404 315 HG3 ARG 44 1HG ARG 44 7.146 0.850 -4.011 316 HD2 ARG 44 2HD ARG 44 6.178 -0.878 -5.321 317 HD3 ARG 44 1HD ARG 44 5.190 0.563 -5.556 318 HE ARG 44 HE ARG 44 7.136 0.468 -7.573 319 HH11 ARG 44 1HH1 ARG 44 4.266 -1.261 -6.561 320 HH12 ARG 44 2HH1 ARG 44 3.856 -1.779 -8.168 321 HH21 ARG 44 1HH2 ARG 44 6.607 -0.227 -9.679 322 HH22 ARG 44 2HH2 ARG 44 5.190 -1.206 -9.925 323 H ALA 45 HN ALA 45 6.836 4.555 -2.865 324 HA ALA 45 HA ALA 45 6.009 7.113 -3.730 325 HB1 ALA 45 1HB ALA 45 6.485 6.581 -1.390 326 HB2 ALA 45 2HB ALA 45 7.411 7.976 -1.943 327 HB3 ALA 45 3HB ALA 45 8.195 6.403 -1.778 328 H THR 46 HN THR 46 6.681 7.901 -5.613 329 HA THR 46 HA THR 46 9.447 8.540 -5.996 330 HB THR 46 HB THR 46 9.355 6.209 -6.889 331 HG1 THR 46 1HG THR 46 10.620 6.739 -8.557 332 HG21 THR 46 3HG2 THR 46 8.128 5.772 -8.973 333 HG22 THR 46 1HG2 THR 46 7.404 7.379 -8.880 334 HG23 THR 46 2HG2 THR 46 7.038 6.173 -7.646 335 H ASN 47 HN ASN 47 9.549 9.523 -8.425 336 HA ASN 47 HA ASN 47 7.572 11.644 -8.315 337 HB2 ASN 47 2HB ASN 47 8.974 12.807 -9.926 338 HB3 ASN 47 1HB ASN 47 9.965 12.197 -8.608 339 HD21 ASN 47 1HD2 ASN 47 10.667 12.942 -11.352 340 HD22 ASN 47 2HD2 ASN 47 11.446 11.559 -12.036 341 H ARG 48 HN ARG 48 6.635 12.464 -10.393 342 HA ARG 48 HA ARG 48 6.227 10.447 -12.440 343 HB2 ARG 48 2HB ARG 48 4.487 9.971 -10.740 344 HB3 ARG 48 1HB ARG 48 3.886 11.610 -10.921 345 HG2 ARG 48 2HG ARG 48 2.483 10.096 -12.149 346 HG3 ARG 48 1HG ARG 48 3.354 11.132 -13.279 347 HD2 ARG 48 2HD ARG 48 4.364 8.400 -12.536 348 HD3 ARG 48 1HD ARG 48 3.180 8.628 -13.821 349 HE ARG 48 HE ARG 48 4.914 10.155 -14.848 350 HH11 ARG 48 1HH1 ARG 48 5.792 7.485 -12.748 351 HH12 ARG 48 2HH1 ARG 48 7.346 7.245 -13.479 352 HH21 ARG 48 1HH2 ARG 48 6.966 9.867 -15.791 353 HH22 ARG 48 2HH2 ARG 48 8.028 8.628 -15.199 354 H ARG 49 HN ARG 49 4.634 13.462 -11.392 355 HA ARG 49 HA ARG 49 4.212 15.420 -12.442 356 HB2 ARG 49 2HB ARG 49 6.613 15.692 -12.613 357 HB3 ARG 49 1HB ARG 49 6.670 14.660 -14.033 358 HG2 ARG 49 2HG ARG 49 5.370 16.324 -15.283 359 HG3 ARG 49 1HG ARG 49 5.354 17.365 -13.859 360 HD2 ARG 49 2HD ARG 49 7.874 16.392 -15.191 361 HD3 ARG 49 1HD ARG 49 7.098 17.926 -15.579 362 HE ARG 49 HE ARG 49 7.409 18.358 -13.064 363 HH11 ARG 49 1HH1 ARG 49 9.622 16.504 -15.044 364 HH12 ARG 49 2HH1 ARG 49 11.027 16.977 -14.132 365 HH21 ARG 49 1HH2 ARG 49 9.248 18.949 -11.843 366 HH22 ARG 49 2HH2 ARG 49 10.815 18.326 -12.296 367 H SER 50 HN SER 50 2.228 14.698 -13.219 368 HA SER 50 HA SER 50 2.050 13.457 -15.814 369 HB2 SER 50 2HB SER 50 -0.184 14.541 -14.087 370 HB3 SER 50 1HB SER 50 -0.304 13.330 -15.363 371 HG SER 50 HG SER 50 0.596 11.839 -14.075 372 H GLU 51 HN GLU 51 1.785 14.498 -17.693 373 HA GLU 51 HA GLU 51 1.430 17.416 -17.594 374 HB2 GLU 51 2HB GLU 51 3.421 16.155 -18.784 375 HB3 GLU 51 1HB GLU 51 2.249 15.948 -20.074 376 HG2 GLU 51 2HG GLU 51 3.194 18.567 -18.924 377 HG3 GLU 51 1HG GLU 51 3.650 17.877 -20.478 378 H GLN 52 HN GLN 52 -0.675 17.800 -17.647 379 HA GLN 52 HA GLN 52 -2.108 17.134 -20.063 380 HB2 GLN 52 2HB GLN 52 -2.605 15.240 -18.513 381 HB3 GLN 52 1HB GLN 52 -3.284 16.395 -17.375 382 HG2 GLN 52 2HG GLN 52 -5.026 16.979 -18.921 383 HG3 GLN 52 1HG GLN 52 -4.297 15.983 -20.179 384 HE21 GLN 52 1HE2 GLN 52 -6.144 15.996 -17.241 385 HE22 GLN 52 2HE2 GLN 52 -6.635 14.334 -17.306 386 H ARG 53 HN ARG 53 -2.435 19.161 -20.654 387 HA ARG 53 HA ARG 53 -2.737 21.390 -19.016 388 HB2 ARG 53 2HB ARG 53 -2.270 21.147 -21.561 389 HB3 ARG 53 1HB ARG 53 -4.018 21.192 -21.720 390 HG2 ARG 53 2HG ARG 53 -4.098 23.383 -20.725 391 HG3 ARG 53 1HG ARG 53 -2.359 23.335 -20.410 392 HD2 ARG 53 2HD ARG 53 -3.758 23.422 -23.076 393 HD3 ARG 53 1HD ARG 53 -2.671 24.626 -22.385 394 HE ARG 53 HE ARG 53 -1.150 22.365 -22.523 395 HH11 ARG 53 1HH1 ARG 53 -3.006 24.235 -24.833 396 HH12 ARG 53 2HH1 ARG 53 -2.022 23.774 -26.190 397 HH21 ARG 53 1HH2 ARG 53 0.129 21.730 -24.327 398 HH22 ARG 53 2HH2 ARG 53 -0.246 22.350 -25.905 399 H THR 54 HN THR 54 -4.254 21.354 -17.438 400 HA THR 54 HA THR 54 -7.067 21.199 -18.263 401 HB THR 54 HB THR 54 -6.191 19.918 -15.677 402 HG1 THR 54 1HG THR 54 -5.025 18.908 -17.426 403 HG21 THR 54 3HG2 THR 54 -8.231 18.591 -16.005 404 HG22 THR 54 1HG2 THR 54 -8.526 19.419 -17.534 405 HG23 THR 54 2HG2 THR 54 -8.586 20.318 -16.017 406 H ARG 55 HN ARG 55 -8.248 21.631 -15.810 407 HA ARG 55 HA ARG 55 -7.968 24.360 -15.350 408 HB2 ARG 55 2HB ARG 55 -10.003 23.290 -14.766 409 HB3 ARG 55 1HB ARG 55 -9.187 22.141 -13.719 410 HG2 ARG 55 2HG ARG 55 -10.406 23.781 -12.424 411 HG3 ARG 55 1HG ARG 55 -8.672 23.932 -12.144 412 HD2 ARG 55 2HD ARG 55 -8.577 25.838 -13.646 413 HD3 ARG 55 1HD ARG 55 -10.297 25.663 -14.005 414 HE ARG 55 HE ARG 55 -10.497 25.991 -11.437 415 HH11 ARG 55 1HH1 ARG 55 -8.194 27.606 -13.537 416 HH12 ARG 55 2HH1 ARG 55 -8.129 29.042 -12.553 417 HH21 ARG 55 1HH2 ARG 55 -10.412 27.872 -10.159 418 HH22 ARG 55 2HH2 ARG 55 -9.361 29.175 -10.622 419 H ARG 56 HN ARG 56 -6.116 25.228 -14.772 420 HA ARG 56 HA ARG 56 -4.295 25.852 -13.630 421 HB2 ARG 56 2HB ARG 56 -4.506 26.101 -11.405 422 HB3 ARG 56 1HB ARG 56 -6.128 25.490 -11.674 423 HG2 ARG 56 2HG ARG 56 -5.505 23.303 -10.956 424 HG3 ARG 56 1HG ARG 56 -3.795 23.742 -10.922 425 HD2 ARG 56 2HD ARG 56 -4.249 25.349 -9.126 426 HD3 ARG 56 1HD ARG 56 -5.955 24.908 -9.161 427 HE ARG 56 HE ARG 56 -4.981 22.548 -8.639 428 HH11 ARG 56 1HH1 ARG 56 -3.774 25.614 -7.397 429 HH12 ARG 56 2HH1 ARG 56 -3.232 24.926 -5.897 430 HH21 ARG 56 1HH2 ARG 56 -4.260 21.668 -6.656 431 HH22 ARG 56 2HH2 ARG 56 -3.495 22.694 -5.478 432 H TYR 57 HN TYR 57 -2.209 25.192 -13.092 433 HA TYR 57 HA TYR 57 -1.677 22.414 -13.772 434 HB2 TYR 57 2HB TYR 57 0.716 23.139 -13.871 435 HB3 TYR 57 1HB TYR 57 -0.338 23.992 -14.988 436 HD1 TYR 57 1HD TYR 57 -0.881 26.369 -14.610 437 HD2 TYR 57 2HD TYR 57 1.828 24.283 -12.074 438 HE1 TYR 57 1HE TYR 57 -0.049 28.514 -13.742 439 HE2 TYR 57 2HE TYR 57 2.660 26.421 -11.194 440 HH TYR 57 HH TYR 57 2.760 28.710 -11.712 441 H GLU 58 HN GLU 58 -1.651 20.988 -12.209 442 HA GLU 58 HA GLU 58 -0.098 21.611 -9.807 443 HB2 GLU 58 2HB GLU 58 -1.717 20.156 -8.500 444 HB3 GLU 58 1HB GLU 58 -2.310 21.739 -8.973 445 HG2 GLU 58 2HG GLU 58 -3.514 20.695 -10.854 446 HG3 GLU 58 1HG GLU 58 -2.969 19.115 -10.296 447 H LEU 59 HN LEU 59 1.656 20.553 -10.628 448 HA LEU 59 HA LEU 59 1.314 17.706 -11.297 449 HB2 LEU 59 2HB LEU 59 3.171 17.911 -12.847 450 HB3 LEU 59 1HB LEU 59 1.906 19.052 -13.252 451 HG LEU 59 HG LEU 59 4.362 19.856 -11.692 452 HD11 LEU 59 1HD1 LEU 59 3.921 19.971 -14.673 453 HD12 LEU 59 2HD1 LEU 59 5.069 18.929 -13.832 454 HD13 LEU 59 3HD1 LEU 59 5.279 20.680 -13.798 455 HD21 LEU 59 3HD2 LEU 59 2.446 21.382 -11.563 456 HD22 LEU 59 1HD2 LEU 59 2.385 21.453 -13.325 457 HD23 LEU 59 2HD2 LEU 59 3.785 22.096 -12.465 458 H THR 60 HN THR 60 2.162 19.382 -8.809 459 HA THR 60 HA THR 60 4.848 18.571 -8.280 460 HB THR 60 HB THR 60 2.774 19.461 -6.266 461 HG1 THR 60 1HG THR 60 4.606 21.105 -7.722 462 HG21 THR 60 3HG2 THR 60 4.742 20.301 -5.045 463 HG22 THR 60 1HG2 THR 60 5.793 19.635 -6.294 464 HG23 THR 60 2HG2 THR 60 4.823 18.556 -5.289 465 H ALA 61 HN ALA 61 5.161 16.401 -8.295 466 HA ALA 61 HA ALA 61 3.295 14.583 -7.079 467 HB1 ALA 61 1HB ALA 61 4.549 13.963 -9.098 468 HB2 ALA 61 2HB ALA 61 4.819 12.832 -7.772 469 HB3 ALA 61 3HB ALA 61 6.050 14.030 -8.172 470 H ASP 62 HN ASP 62 3.235 15.213 -4.920 471 HA ASP 62 HA ASP 62 5.696 14.699 -3.391 472 HB2 ASP 62 2HB ASP 62 5.000 16.988 -3.111 473 HB3 ASP 62 1HB ASP 62 3.346 16.496 -2.762 474 H ASP 63 HN ASP 63 5.450 12.531 -3.113 475 HA ASP 63 HA ASP 63 4.740 10.555 -2.240 476 HB2 ASP 63 2HB ASP 63 4.290 12.533 -0.032 477 HB3 ASP 63 1HB ASP 63 3.960 10.824 0.211 478 H TYR 64 HN TYR 64 2.296 12.331 -0.476 479 HA TYR 64 HA TYR 64 0.277 10.431 -0.946 480 HB2 TYR 64 2HB TYR 64 0.425 12.041 0.984 481 HB3 TYR 64 1HB TYR 64 -0.076 13.317 -0.117 482 HD1 TYR 64 2HD TYR 64 -1.166 10.093 1.374 483 HD2 TYR 64 1HD TYR 64 -2.361 13.708 -0.526 484 HE1 TYR 64 2HE TYR 64 -3.514 9.585 1.892 485 HE2 TYR 64 1HE TYR 64 -4.713 13.213 -0.000 486 HH TYR 64 HH TYR 64 -6.132 11.320 0.527 487 H ARG 65 HN ARG 65 0.967 13.583 -2.387 488 HA ARG 65 HA ARG 65 -1.293 13.681 -4.075 489 HB2 ARG 65 2HB ARG 65 1.327 15.112 -4.008 490 HB3 ARG 65 1HB ARG 65 0.231 15.326 -5.367 491 HG2 ARG 65 2HG ARG 65 -1.160 15.553 -2.850 492 HG3 ARG 65 1HG ARG 65 0.180 16.686 -2.957 493 HD2 ARG 65 2HD ARG 65 -1.850 17.703 -3.808 494 HD3 ARG 65 1HD ARG 65 -0.680 17.495 -5.109 495 HE ARG 65 HE ARG 65 -2.445 15.275 -4.994 496 HH11 ARG 65 1HH1 ARG 65 -2.316 18.638 -5.946 497 HH12 ARG 65 2HH1 ARG 65 -3.558 18.474 -7.167 498 HH21 ARG 65 1HH2 ARG 65 -4.108 15.053 -6.593 499 HH22 ARG 65 2HH2 ARG 65 -4.552 16.459 -7.523 500 H ALA 66 HN ALA 66 1.930 12.341 -4.474 501 HA ALA 66 HA ALA 66 1.713 11.829 -7.259 502 HB1 ALA 66 1HB ALA 66 3.876 11.909 -6.099 503 HB2 ALA 66 2HB ALA 66 3.657 10.387 -6.962 504 HB3 ALA 66 3HB ALA 66 3.449 10.445 -5.212 505 H ALA 67 HN ALA 67 0.951 9.952 -4.372 506 HA ALA 67 HA ALA 67 0.087 7.625 -5.768 507 HB1 ALA 67 1HB ALA 67 0.643 7.586 -3.377 508 HB2 ALA 67 2HB ALA 67 -0.995 7.002 -3.671 509 HB3 ALA 67 3HB ALA 67 -0.740 8.629 -3.042 510 H ASP 68 HN ASP 68 -1.470 10.531 -4.586 511 HA ASP 68 HA ASP 68 -4.132 10.011 -5.136 512 HB2 ASP 68 2HB ASP 68 -3.439 11.953 -3.880 513 HB3 ASP 68 1HB ASP 68 -2.559 12.591 -5.260 514 H ALA 69 HN ALA 69 -1.700 11.516 -7.255 515 HA ALA 69 HA ALA 69 -3.359 11.943 -9.466 516 HB1 ALA 69 1HB ALA 69 -0.397 11.374 -9.451 517 HB2 ALA 69 2HB ALA 69 -1.145 12.956 -9.237 518 HB3 ALA 69 3HB ALA 69 -1.304 12.106 -10.775 519 H ALA 70 HN ALA 70 -1.137 9.220 -8.850 520 HA ALA 70 HA ALA 70 -1.852 7.759 -11.156 521 HB1 ALA 70 1HB ALA 70 0.207 7.348 -9.878 522 HB2 ALA 70 2HB ALA 70 -0.743 5.877 -10.090 523 HB3 ALA 70 3HB ALA 70 -0.761 6.719 -8.543 524 H ALA 71 HN ALA 71 -3.239 7.903 -7.938 525 HA ALA 71 HA ALA 71 -4.895 5.626 -8.146 526 HB1 ALA 71 1HB ALA 71 -4.392 6.731 -6.011 527 HB2 ALA 71 2HB ALA 71 -6.127 6.563 -6.279 528 HB3 ALA 71 3HB ALA 71 -5.347 8.126 -6.518 529 H GLN 72 HN GLN 72 -5.586 9.089 -8.708 530 HA GLN 72 HA GLN 72 -8.255 8.636 -9.528 531 HB2 GLN 72 2HB GLN 72 -8.251 10.934 -10.340 532 HB3 GLN 72 1HB GLN 72 -7.525 10.828 -8.745 533 HG2 GLN 72 2HG GLN 72 -5.301 10.951 -9.756 534 HG3 GLN 72 1HG GLN 72 -6.043 11.077 -11.351 535 HE21 GLN 72 1HE2 GLN 72 -5.407 12.701 -8.342 536 HE22 GLN 72 2HE2 GLN 72 -5.856 14.282 -8.880 537 H GLU 73 HN GLU 73 -5.206 8.705 -11.291 538 HA GLU 73 HA GLU 73 -6.137 8.567 -13.904 539 HB2 GLU 73 2HB GLU 73 -3.758 7.349 -12.528 540 HB3 GLU 73 1HB GLU 73 -4.030 7.143 -14.244 541 HG2 GLU 73 2HG GLU 73 -4.043 9.625 -14.458 542 HG3 GLU 73 1HG GLU 73 -3.564 9.708 -12.766 543 H GLN 74 HN GLN 74 -5.729 6.030 -11.512 544 HA GLN 74 HA GLN 74 -6.633 3.978 -13.343 545 HB2 GLN 74 2HB GLN 74 -5.667 3.975 -10.496 546 HB3 GLN 74 1HB GLN 74 -6.266 2.526 -11.280 547 HG2 GLN 74 2HG GLN 74 -4.514 2.567 -12.887 548 HG3 GLN 74 1HG GLN 74 -4.005 4.177 -12.379 549 HE21 GLN 74 1HE2 GLN 74 -4.237 3.649 -9.564 550 HE22 GLN 74 2HE2 GLN 74 -2.934 2.606 -9.140 551 H GLY 75 HN GLY 75 -8.111 6.164 -11.280 552 HA2 GLY 75 2HA GLY 75 -10.364 6.384 -10.754 553 HA3 GLY 75 1HA GLY 75 -10.648 4.799 -11.462 554 H LEU 76 HN LEU 76 -8.212 5.337 -9.051 555 HA LEU 76 HA LEU 76 -9.805 3.792 -7.112 556 HB2 LEU 76 2HB LEU 76 -6.812 3.723 -7.514 557 HB3 LEU 76 1HB LEU 76 -7.729 2.753 -6.383 558 HG LEU 76 HG LEU 76 -7.941 2.558 -9.387 559 HD11 LEU 76 1HD1 LEU 76 -6.552 0.767 -7.399 560 HD12 LEU 76 2HD1 LEU 76 -5.772 1.794 -8.602 561 HD13 LEU 76 3HD1 LEU 76 -6.761 0.428 -9.117 562 HD21 LEU 76 3HD2 LEU 76 -9.209 0.513 -8.918 563 HD22 LEU 76 1HD2 LEU 76 -10.004 1.941 -8.254 564 HD23 LEU 76 2HD2 LEU 76 -9.111 0.854 -7.191 565 H ASP 77 HN ASP 77 -8.653 4.038 -4.836 566 HA ASP 77 HA ASP 77 -7.435 6.670 -4.525 567 HB2 ASP 77 2HB ASP 77 -8.824 7.226 -2.596 568 HB3 ASP 77 1HB ASP 77 -9.817 7.019 -4.030 569 H VAL 78 HN VAL 78 -6.912 6.836 -1.983 570 HA VAL 78 HA VAL 78 -5.033 4.684 -1.581 571 HB VAL 78 HB VAL 78 -5.536 7.105 0.169 572 HG11 VAL 78 1HG1 VAL 78 -3.249 6.671 0.984 573 HG12 VAL 78 2HG1 VAL 78 -3.202 5.194 0.021 574 HG13 VAL 78 3HG1 VAL 78 -4.357 5.349 1.345 575 HG21 VAL 78 3HG2 VAL 78 -3.528 6.729 -2.060 576 HG22 VAL 78 1HG2 VAL 78 -3.607 8.115 -0.973 577 HG23 VAL 78 2HG2 VAL 78 -4.932 7.796 -2.093 578 H VAL 79 HN VAL 79 -5.826 2.855 -0.750 579 HA VAL 79 HA VAL 79 -7.949 2.969 1.252 580 HB VAL 79 HB VAL 79 -8.039 0.500 1.002 581 HG11 VAL 79 1HG1 VAL 79 -9.466 1.960 -0.338 582 HG12 VAL 79 2HG1 VAL 79 -9.018 0.507 -1.229 583 HG13 VAL 79 3HG1 VAL 79 -8.221 2.039 -1.586 584 HG21 VAL 79 3HG2 VAL 79 -5.981 0.939 -1.165 585 HG22 VAL 79 1HG2 VAL 79 -6.815 -0.576 -0.818 586 HG23 VAL 79 2HG2 VAL 79 -5.706 0.111 0.368 587 H GLY 80 HN GLY 80 -4.556 2.445 1.013 588 HA2 GLY 80 2HA GLY 80 -4.302 2.323 3.864 589 HA3 GLY 80 1HA GLY 80 -3.940 0.784 3.096 590 H VAL 81 HN VAL 81 -1.925 1.682 4.414 591 HA VAL 81 HA VAL 81 -0.082 2.741 2.374 592 HB VAL 81 HB VAL 81 0.159 3.573 5.260 593 HG11 VAL 81 1HG1 VAL 81 1.597 5.316 4.395 594 HG12 VAL 81 2HG1 VAL 81 1.290 4.774 2.746 595 HG13 VAL 81 3HG1 VAL 81 2.159 3.729 3.871 596 HG21 VAL 81 3HG2 VAL 81 -1.203 5.140 3.074 597 HG22 VAL 81 1HG2 VAL 81 -0.820 5.743 4.686 598 HG23 VAL 81 2HG2 VAL 81 -1.985 4.433 4.488 599 H TYR 82 HN TYR 82 2.160 2.115 2.791 600 HA TYR 82 HA TYR 82 2.491 0.037 4.802 601 HB2 TYR 82 2HB TYR 82 3.551 -1.520 3.225 602 HB3 TYR 82 1HB TYR 82 1.867 -1.226 2.824 603 HD1 TYR 82 1HD TYR 82 5.346 -0.734 1.774 604 HD2 TYR 82 2HD TYR 82 1.265 -0.090 0.765 605 HE1 TYR 82 1HE TYR 82 6.005 -0.226 -0.538 606 HE2 TYR 82 2HE TYR 82 1.915 0.425 -1.550 607 HH TYR 82 HH TYR 82 3.913 1.219 -2.773 608 H HIS 83 HN HIS 83 4.463 -0.123 5.669 609 HA HIS 83 HA HIS 83 6.729 1.229 4.467 610 HB2 HIS 83 2HB HIS 83 7.203 2.355 6.751 611 HB3 HIS 83 1HB HIS 83 6.043 3.109 5.668 612 HD1 HIS 83 1HD HIS 83 6.181 1.086 8.866 613 HD2 HIS 83 2HD HIS 83 3.520 3.433 6.708 614 HE1 HIS 83 1HE HIS 83 4.192 1.394 10.360 615 HE2 HIS 83 2HE HIS 83 2.731 3.040 9.144 616 H SER 84 HN SER 84 8.603 0.214 4.896 617 HA SER 84 HA SER 84 8.388 -2.173 6.589 618 HB2 SER 84 2HB SER 84 10.294 -2.997 5.144 619 HB3 SER 84 1HB SER 84 8.768 -2.747 4.301 620 HG SER 84 HG SER 84 11.170 -1.342 4.113 621 H HIS 85 HN HIS 85 10.054 -2.760 7.982 622 HA HIS 85 HA HIS 85 12.526 -1.343 8.053 623 HB2 HIS 85 2HB HIS 85 12.307 -0.587 10.453 624 HB3 HIS 85 1HB HIS 85 11.400 0.352 9.279 625 HD1 HIS 85 1HD HIS 85 11.042 -1.623 12.359 626 HD2 HIS 85 2HD HIS 85 8.569 -0.046 9.412 627 HE1 HIS 85 1HE HIS 85 8.721 -1.639 13.335 628 HE2 HIS 85 2HE HIS 85 7.336 -0.358 11.661 629 HA PRO 86 HA PRO 86 13.537 -5.269 9.723 630 HB2 PRO 86 2HB PRO 86 16.192 -4.945 9.883 631 HB3 PRO 86 1HB PRO 86 15.348 -4.952 8.331 632 HG2 PRO 86 2HG PRO 86 16.529 -2.687 9.822 633 HG3 PRO 86 1HG PRO 86 16.265 -2.873 8.082 634 HD2 PRO 86 2HD PRO 86 14.649 -1.445 9.953 635 HD3 PRO 86 1HD PRO 86 14.342 -1.701 8.226 636 H ASP 87 HN ASP 87 12.364 -4.451 11.826 637 HA ASP 87 HA ASP 87 14.096 -5.216 13.975 638 HB2 ASP 87 2HB ASP 87 13.746 -3.251 15.392 639 HB3 ASP 87 1HB ASP 87 14.584 -2.798 13.913 640 H HIS 88 HN HIS 88 12.909 -5.646 15.935 641 HA HIS 88 HA HIS 88 11.183 -6.603 17.060 642 HB2 HIS 88 2HB HIS 88 9.546 -4.821 15.252 643 HB3 HIS 88 1HB HIS 88 8.827 -5.849 16.485 644 HD1 HIS 88 1HD HIS 88 10.729 -2.671 16.020 645 HD2 HIS 88 2HD HIS 88 9.269 -5.016 19.139 646 HE1 HIS 88 1HE HIS 88 10.873 -1.238 18.080 647 HE2 HIS 88 2HE HIS 88 10.209 -2.754 19.973 648 HA PRO 89 HA PRO 89 9.995 -10.124 14.628 649 HB2 PRO 89 2HB PRO 89 7.711 -10.640 16.372 650 HB3 PRO 89 1HB PRO 89 9.210 -11.556 16.200 651 HG2 PRO 89 2HG PRO 89 8.619 -10.126 18.423 652 HG3 PRO 89 1HG PRO 89 10.282 -10.366 17.852 653 HD2 PRO 89 2HD PRO 89 8.487 -7.987 17.529 654 HD3 PRO 89 1HD PRO 89 10.221 -8.045 17.917 655 H ALA 90 HN ALA 90 9.291 -8.462 13.002 656 HA ALA 90 HA ALA 90 7.819 -7.502 11.559 657 HB1 ALA 90 1HB ALA 90 6.246 -9.052 10.554 658 HB2 ALA 90 2HB ALA 90 6.423 -10.150 11.924 659 HB3 ALA 90 3HB ALA 90 7.795 -9.839 10.858 660 H ARG 91 HN ARG 91 7.211 -5.944 13.255 661 HA ARG 91 HA ARG 91 4.370 -5.749 13.474 662 HB2 ARG 91 2HB ARG 91 4.285 -5.666 15.929 663 HB3 ARG 91 1HB ARG 91 4.779 -7.249 15.354 664 HG2 ARG 91 2HG ARG 91 7.127 -6.642 15.824 665 HG3 ARG 91 1HG ARG 91 6.562 -5.109 16.494 666 HD2 ARG 91 2HD ARG 91 6.952 -6.697 18.278 667 HD3 ARG 91 1HD ARG 91 5.228 -6.351 18.145 668 HE ARG 91 HE ARG 91 5.935 -8.644 16.618 669 HH11 ARG 91 1HH1 ARG 91 5.358 -7.556 19.895 670 HH12 ARG 91 2HH1 ARG 91 4.850 -9.118 20.464 671 HH21 ARG 91 1HH2 ARG 91 5.318 -10.720 17.365 672 HH22 ARG 91 2HH2 ARG 91 4.869 -10.932 19.034 673 HA PRO 92 HA PRO 92 5.360 -1.460 13.582 674 HB2 PRO 92 2HB PRO 92 3.456 -0.399 15.209 675 HB3 PRO 92 1HB PRO 92 3.120 -0.967 13.570 676 HG2 PRO 92 2HG PRO 92 2.659 -2.345 16.184 677 HG3 PRO 92 1HG PRO 92 1.603 -2.262 14.762 678 HD2 PRO 92 2HD PRO 92 3.126 -4.422 15.317 679 HD3 PRO 92 1HD PRO 92 2.760 -3.921 13.654 680 H SER 93 HN SER 93 6.598 -0.020 14.641 681 HA SER 93 HA SER 93 7.265 -0.547 17.437 682 HB2 SER 93 2HB SER 93 8.532 1.353 15.439 683 HB3 SER 93 1HB SER 93 9.164 0.948 17.037 684 HG SER 93 HG SER 93 10.075 -0.245 15.184 685 H ALA 94 HN ALA 94 7.971 1.999 18.276 686 HA ALA 94 HA ALA 94 5.440 3.051 18.983 687 HB1 ALA 94 1HB ALA 94 8.155 4.339 19.251 688 HB2 ALA 94 2HB ALA 94 7.404 3.262 20.428 689 HB3 ALA 94 3HB ALA 94 6.682 4.834 20.085 690 H THR 95 HN THR 95 7.959 4.189 16.759 691 HA THR 95 HA THR 95 6.719 6.586 16.003 692 HB THR 95 HB THR 95 8.543 4.889 14.283 693 HG1 THR 95 1HG THR 95 9.158 6.840 16.291 694 HG21 THR 95 3HG2 THR 95 7.489 6.776 13.111 695 HG22 THR 95 1HG2 THR 95 9.222 7.035 13.317 696 HG23 THR 95 2HG2 THR 95 8.072 7.876 14.358 697 H ASP 96 HN ASP 96 6.436 3.308 14.656 698 HA ASP 96 HA ASP 96 4.908 3.872 12.396 699 HB2 ASP 96 2HB ASP 96 4.678 1.475 14.237 700 HB3 ASP 96 1HB ASP 96 3.999 1.574 12.619 701 H LEU 97 HN LEU 97 3.924 3.280 15.718 702 HA LEU 97 HA LEU 97 1.133 3.573 15.274 703 HB2 LEU 97 2HB LEU 97 2.296 2.353 17.166 704 HB3 LEU 97 1HB LEU 97 2.648 3.919 17.862 705 HG LEU 97 HG LEU 97 -0.179 3.069 17.297 706 HD11 LEU 97 1HD1 LEU 97 0.838 1.317 18.652 707 HD12 LEU 97 2HD1 LEU 97 -0.304 2.266 19.605 708 HD13 LEU 97 3HD1 LEU 97 1.431 2.528 19.789 709 HD21 LEU 97 3HD2 LEU 97 0.252 5.439 17.816 710 HD22 LEU 97 1HD2 LEU 97 1.024 4.955 19.326 711 HD23 LEU 97 2HD2 LEU 97 -0.695 4.648 19.076 712 H GLU 98 HN GLU 98 3.695 5.729 16.365 713 HA GLU 98 HA GLU 98 2.029 7.829 17.232 714 HB2 GLU 98 2HB GLU 98 4.931 7.780 16.419 715 HB3 GLU 98 1HB GLU 98 4.145 9.203 17.083 716 HG2 GLU 98 2HG GLU 98 3.614 7.959 19.123 717 HG3 GLU 98 1HG GLU 98 4.411 6.536 18.457 718 H GLU 99 HN GLU 99 3.193 6.982 14.062 719 HA GLU 99 HA GLU 99 2.344 9.561 12.982 720 HB2 GLU 99 2HB GLU 99 3.584 7.205 11.555 721 HB3 GLU 99 1HB GLU 99 3.299 8.801 10.872 722 HG2 GLU 99 2HG GLU 99 4.817 9.711 12.661 723 HG3 GLU 99 1HG GLU 99 5.235 8.042 13.038 724 H ALA 100 HN ALA 100 0.761 6.901 13.871 725 HA ALA 100 HA ALA 100 -0.915 6.666 11.494 726 HB1 ALA 100 1HB ALA 100 -0.268 4.604 12.635 727 HB2 ALA 100 2HB ALA 100 -2.017 4.834 12.669 728 HB3 ALA 100 3HB ALA 100 -1.057 5.170 14.109 729 H THR 101 HN THR 101 -1.444 9.009 11.900 730 HA THR 101 HA THR 101 -3.390 9.458 14.022 731 HB THR 101 HB THR 101 -2.686 11.539 12.000 732 HG1 THR 101 1HG THR 101 -0.991 11.105 14.233 733 HG21 THR 101 3HG2 THR 101 -3.109 11.596 14.992 734 HG22 THR 101 1HG2 THR 101 -4.290 12.065 13.768 735 HG23 THR 101 2HG2 THR 101 -2.812 13.004 13.974 736 H PHE 102 HN PHE 102 -3.613 8.030 11.166 737 HA PHE 102 HA PHE 102 -6.201 9.246 10.512 738 HB2 PHE 102 2HB PHE 102 -5.659 8.662 8.074 739 HB3 PHE 102 1HB PHE 102 -4.857 10.059 8.773 740 HD1 PHE 102 2HD PHE 102 -2.462 9.895 9.437 741 HD2 PHE 102 1HD PHE 102 -4.427 6.799 7.278 742 HE1 PHE 102 2HE PHE 102 -0.281 8.971 8.778 743 HE2 PHE 102 1HE PHE 102 -2.249 5.874 6.615 744 HZ PHE 102 HZ PHE 102 -0.174 6.959 7.365 745 HA PRO 103 HA PRO 103 -6.934 4.778 11.236 746 HB2 PRO 103 2HB PRO 103 -9.393 5.124 12.325 747 HB3 PRO 103 1HB PRO 103 -7.901 5.260 13.265 748 HG2 PRO 103 2HG PRO 103 -9.608 7.422 12.093 749 HG3 PRO 103 1HG PRO 103 -8.828 7.349 13.684 750 HD2 PRO 103 2HD PRO 103 -7.803 8.765 11.609 751 HD3 PRO 103 1HD PRO 103 -6.789 8.015 12.856 752 H GLY 104 HN GLY 104 -8.599 3.364 10.338 753 HA2 GLY 104 2HA GLY 104 -10.437 2.970 8.870 754 HA3 GLY 104 1HA GLY 104 -10.248 4.603 8.244 755 H PHE 105 HN PHE 105 -7.265 4.068 8.195 756 HA PHE 105 HA PHE 105 -7.185 2.831 5.565 757 HB2 PHE 105 2HB PHE 105 -5.160 4.346 7.212 758 HB3 PHE 105 1HB PHE 105 -4.721 3.517 5.723 759 HD1 PHE 105 1HD PHE 105 -6.905 6.181 7.103 760 HD2 PHE 105 2HD PHE 105 -5.062 4.514 3.651 761 HE1 PHE 105 1HE PHE 105 -7.559 8.164 5.796 762 HE2 PHE 105 2HE PHE 105 -5.711 6.488 2.344 763 HZ PHE 105 HZ PHE 105 -6.958 8.317 3.409 764 H THR 106 HN THR 106 -5.758 1.090 5.071 765 HA THR 106 HA THR 106 -5.339 -0.726 7.310 766 HB THR 106 HB THR 106 -4.917 -1.184 4.345 767 HG1 THR 106 1HG THR 106 -7.165 -1.033 5.770 768 HG21 THR 106 3HG2 THR 106 -3.559 -2.685 5.716 769 HG22 THR 106 1HG2 THR 106 -4.878 -3.566 4.944 770 HG23 THR 106 2HG2 THR 106 -4.987 -3.135 6.651 771 H TYR 107 HN TYR 107 -3.434 -0.949 8.277 772 HA TYR 107 HA TYR 107 -1.100 0.350 7.076 773 HB2 TYR 107 2HB TYR 107 -1.402 -0.745 9.881 774 HB3 TYR 107 1HB TYR 107 -0.131 0.319 9.286 775 HD1 TYR 107 1HD TYR 107 -0.652 2.701 8.781 776 HD2 TYR 107 2HD TYR 107 -3.510 0.104 10.567 777 HE1 TYR 107 1HE TYR 107 -1.972 4.652 9.494 778 HE2 TYR 107 2HE TYR 107 -4.833 2.041 11.286 779 HH TYR 107 HH TYR 107 -4.430 5.107 10.091 780 H VAL 108 HN VAL 108 0.028 -0.986 5.808 781 HA VAL 108 HA VAL 108 0.365 -3.772 6.667 782 HB VAL 108 HB VAL 108 1.029 -2.512 3.994 783 HG11 VAL 108 1HG1 VAL 108 1.371 -4.800 3.216 784 HG12 VAL 108 2HG1 VAL 108 1.052 -5.411 4.840 785 HG13 VAL 108 3HG1 VAL 108 2.476 -4.417 4.536 786 HG21 VAL 108 3HG2 VAL 108 -1.250 -4.315 4.805 787 HG22 VAL 108 1HG2 VAL 108 -0.892 -3.791 3.160 788 HG23 VAL 108 2HG2 VAL 108 -1.370 -2.608 4.377 789 H ILE 109 HN ILE 109 2.139 -4.314 7.666 790 HA ILE 109 HA ILE 109 4.572 -2.719 7.199 791 HB ILE 109 HB ILE 109 3.739 -4.097 9.765 792 HG12 ILE 109 2HG1 ILE 109 3.992 -1.157 9.095 793 HG13 ILE 109 1HG1 ILE 109 2.475 -2.025 9.264 794 HG21 ILE 109 1HG2 ILE 109 6.155 -4.165 9.433 795 HG22 ILE 109 2HG2 ILE 109 5.739 -3.042 10.728 796 HG23 ILE 109 3HG2 ILE 109 6.173 -2.427 9.133 797 HD11 ILE 109 3HD1 ILE 109 4.501 -1.591 11.436 798 HD12 ILE 109 1HD1 ILE 109 2.971 -2.448 11.608 799 HD13 ILE 109 2HD1 ILE 109 2.981 -0.720 11.245 800 H VAL 110 HN VAL 110 6.210 -3.820 6.368 801 HA VAL 110 HA VAL 110 6.199 -6.746 6.668 802 HB VAL 110 HB VAL 110 5.749 -6.242 4.360 803 HG11 VAL 110 1HG1 VAL 110 8.232 -4.539 4.371 804 HG12 VAL 110 2HG1 VAL 110 6.573 -3.947 4.297 805 HG13 VAL 110 3HG1 VAL 110 7.227 -4.906 2.970 806 HG21 VAL 110 3HG2 VAL 110 7.245 -8.119 4.777 807 HG22 VAL 110 1HG2 VAL 110 8.639 -7.042 4.695 808 HG23 VAL 110 2HG2 VAL 110 7.655 -7.321 3.258 809 H SER 111 HN SER 111 7.929 -7.632 7.538 810 HA SER 111 HA SER 111 10.057 -5.907 8.433 811 HB2 SER 111 2HB SER 111 9.048 -7.762 9.819 812 HB3 SER 111 1HB SER 111 9.828 -8.909 8.731 813 HG SER 111 HG SER 111 11.026 -8.374 10.685 814 H VAL 112 HN VAL 112 11.466 -5.330 6.879 815 HA VAL 112 HA VAL 112 12.497 -7.456 5.122 816 HB VAL 112 HB VAL 112 12.626 -4.460 4.691 817 HG11 VAL 112 1HG1 VAL 112 13.426 -5.044 2.441 818 HG12 VAL 112 2HG1 VAL 112 13.436 -6.747 2.898 819 HG13 VAL 112 3HG1 VAL 112 14.522 -5.613 3.701 820 HG21 VAL 112 3HG2 VAL 112 11.016 -4.831 2.884 821 HG22 VAL 112 1HG2 VAL 112 10.347 -5.297 4.448 822 HG23 VAL 112 2HG2 VAL 112 10.913 -6.535 3.327 823 H ARG 113 HN ARG 113 14.412 -8.203 5.701 824 HA ARG 113 HA ARG 113 15.977 -6.629 7.608 825 HB2 ARG 113 2HB ARG 113 16.110 -9.557 6.848 826 HB3 ARG 113 1HB ARG 113 17.104 -8.789 8.084 827 HG2 ARG 113 2HG ARG 113 15.244 -8.379 9.471 828 HG3 ARG 113 1HG ARG 113 14.100 -8.730 8.177 829 HD2 ARG 113 2HD ARG 113 14.125 -10.576 9.704 830 HD3 ARG 113 1HD ARG 113 14.879 -11.082 8.195 831 HE ARG 113 HE ARG 113 16.990 -10.307 9.708 832 HH11 ARG 113 1HH1 ARG 113 14.271 -12.416 10.342 833 HH12 ARG 113 2HH1 ARG 113 15.187 -13.511 11.336 834 HH21 ARG 113 1HH2 ARG 113 18.202 -11.722 11.035 835 HH22 ARG 113 2HH2 ARG 113 17.429 -13.105 11.758 836 H ASP 114 HN ASP 114 16.293 -5.380 5.492 837 HA ASP 114 HA ASP 114 17.654 -4.579 3.881 838 HB2 ASP 114 2HB ASP 114 19.305 -4.712 5.748 839 HB3 ASP 114 1HB ASP 114 19.791 -6.295 5.148 840 H GLY 115 HN GLY 115 16.442 -5.685 2.281 841 HA2 GLY 115 2HA GLY 115 16.637 -6.693 0.186 842 HA3 GLY 115 1HA GLY 115 18.115 -7.477 0.724 843 H ALA 116 HN ALA 116 16.606 -8.370 3.210 844 HA ALA 116 HA ALA 116 15.313 -10.676 1.936 845 HB1 ALA 116 1HB ALA 116 17.293 -11.168 3.308 846 HB2 ALA 116 2HB ALA 116 15.831 -11.933 3.933 847 HB3 ALA 116 3HB ALA 116 16.469 -10.482 4.708 848 HA PRO 117 HA PRO 117 11.616 -8.859 3.847 849 HB2 PRO 117 2HB PRO 117 10.170 -10.422 1.870 850 HB3 PRO 117 1HB PRO 117 10.256 -8.668 2.040 851 HG2 PRO 117 2HG PRO 117 11.380 -10.009 -0.038 852 HG3 PRO 117 1HG PRO 117 12.025 -8.482 0.591 853 HD2 PRO 117 2HD PRO 117 12.957 -11.284 1.105 854 HD3 PRO 117 1HD PRO 117 13.913 -9.817 0.799 855 H GLU 118 HN GLU 118 11.067 -9.857 5.688 856 HA GLU 118 HA GLU 118 11.231 -12.736 5.893 857 HB2 GLU 118 2HB GLU 118 12.138 -11.231 7.640 858 HB3 GLU 118 1HB GLU 118 10.504 -10.686 7.987 859 HG2 GLU 118 2HG GLU 118 9.883 -12.944 8.656 860 HG3 GLU 118 1HG GLU 118 11.513 -13.502 8.289 861 H ALA 119 HN ALA 119 8.739 -10.486 7.113 862 HA ALA 119 HA ALA 119 6.693 -12.309 6.091 863 HB1 ALA 119 1HB ALA 119 7.190 -13.041 8.372 864 HB2 ALA 119 2HB ALA 119 5.557 -12.391 8.240 865 HB3 ALA 119 3HB ALA 119 6.835 -11.418 8.968 866 H LEU 120 HN LEU 120 4.657 -11.433 5.849 867 HA LEU 120 HA LEU 120 4.503 -8.502 5.841 868 HB2 LEU 120 2HB LEU 120 3.013 -10.667 4.376 869 HB3 LEU 120 1HB LEU 120 2.359 -9.045 4.493 870 HG LEU 120 HG LEU 120 5.076 -9.636 3.331 871 HD11 LEU 120 1HD1 LEU 120 4.038 -9.410 1.138 872 HD12 LEU 120 2HD1 LEU 120 2.453 -9.255 1.891 873 HD13 LEU 120 3HD1 LEU 120 3.340 -10.772 2.020 874 HD21 LEU 120 3HD2 LEU 120 4.767 -7.359 4.108 875 HD22 LEU 120 1HD2 LEU 120 3.257 -7.237 3.209 876 HD23 LEU 120 2HD2 LEU 120 4.784 -7.406 2.346 877 H THR 121 HN THR 121 3.208 -7.478 7.267 878 HA THR 121 HA THR 121 1.086 -9.045 8.558 879 HB THR 121 HB THR 121 1.566 -7.712 10.672 880 HG1 THR 121 1HG THR 121 3.592 -6.804 9.049 881 HG21 THR 121 3HG2 THR 121 2.108 -10.089 10.471 882 HG22 THR 121 1HG2 THR 121 3.328 -9.239 11.423 883 HG23 THR 121 2HG2 THR 121 3.662 -9.678 9.747 884 H ALA 122 HN ALA 122 -0.847 -8.072 8.584 885 HA ALA 122 HA ALA 122 -0.946 -5.215 7.885 886 HB1 ALA 122 1HB ALA 122 -2.061 -6.659 6.252 887 HB2 ALA 122 2HB ALA 122 -3.227 -5.629 7.083 888 HB3 ALA 122 3HB ALA 122 -3.078 -7.330 7.527 889 H TRP 123 HN TRP 123 -1.961 -3.810 9.220 890 HA TRP 123 HA TRP 123 -2.987 -4.942 11.739 891 HB2 TRP 123 2HB TRP 123 -1.179 -2.532 11.470 892 HB3 TRP 123 1HB TRP 123 -1.782 -3.227 12.973 893 HD1 TRP 123 1HD TRP 123 0.770 -3.879 10.180 894 HE1 TRP 123 1HE TRP 123 2.453 -5.651 11.012 895 HE3 TRP 123 3HE TRP 123 -1.508 -5.170 14.575 896 HZ2 TRP 123 2HZ TRP 123 2.763 -7.363 13.233 897 HZ3 TRP 123 3HZ TRP 123 -0.466 -6.894 15.983 898 HH2 TRP 123 2HH TRP 123 1.629 -7.964 15.329 899 H ALA 124 HN ALA 124 -4.731 -3.994 12.608 900 HA ALA 124 HA ALA 124 -5.826 -1.632 11.244 901 HB1 ALA 124 1HB ALA 124 -7.986 -2.287 12.187 902 HB2 ALA 124 2HB ALA 124 -7.217 -3.644 13.013 903 HB3 ALA 124 3HB ALA 124 -7.282 -3.605 11.251 904 H LEU 125 HN LEU 125 -6.054 0.229 12.339 905 HA LEU 125 HA LEU 125 -4.780 0.434 14.917 906 HB2 LEU 125 2HB LEU 125 -4.407 2.136 13.194 907 HB3 LEU 125 1HB LEU 125 -6.118 2.516 13.184 908 HG LEU 125 HG LEU 125 -5.913 3.267 15.552 909 HD11 LEU 125 1HD1 LEU 125 -3.958 1.986 16.198 910 HD12 LEU 125 2HD1 LEU 125 -3.670 3.709 16.438 911 HD13 LEU 125 3HD1 LEU 125 -2.965 2.881 15.050 912 HD21 LEU 125 3HD2 LEU 125 -4.800 5.374 15.015 913 HD22 LEU 125 1HD2 LEU 125 -5.861 4.856 13.706 914 HD23 LEU 125 2HD2 LEU 125 -4.116 4.649 13.561 915 H ALA 126 HN ALA 126 -5.724 0.730 16.845 916 HA ALA 126 HA ALA 126 -8.498 0.265 17.207 917 HB1 ALA 126 1HB ALA 126 -6.501 1.430 19.149 918 HB2 ALA 126 2HB ALA 126 -6.802 -0.289 18.898 919 HB3 ALA 126 3HB ALA 126 -8.075 0.742 19.550 920 HA PRO 127 HA PRO 127 -10.453 4.084 16.454 921 HB2 PRO 127 2HB PRO 127 -11.644 3.858 19.179 922 HB3 PRO 127 1HB PRO 127 -12.436 4.125 17.621 923 HG2 PRO 127 2HG PRO 127 -12.529 1.734 18.761 924 HG3 PRO 127 1HG PRO 127 -12.276 1.880 17.010 925 HD2 PRO 127 2HD PRO 127 -10.304 1.262 19.168 926 HD3 PRO 127 1HD PRO 127 -10.420 0.601 17.525 927 H ASP 128 HN ASP 128 -8.896 3.792 19.619 928 HA ASP 128 HA ASP 128 -8.783 6.713 19.824 929 HB2 ASP 128 2HB ASP 128 -9.583 5.273 21.753 930 HB3 ASP 128 1HB ASP 128 -7.923 4.708 21.912 931 H ARG 129 HN ARG 129 -7.088 4.669 18.208 932 HA ARG 129 HA ARG 129 -4.998 4.480 17.387 933 HB2 ARG 129 2HB ARG 129 -3.896 6.494 16.834 934 HB3 ARG 129 1HB ARG 129 -5.611 6.864 16.849 935 HG2 ARG 129 2HG ARG 129 -5.313 7.821 19.130 936 HG3 ARG 129 1HG ARG 129 -3.575 7.582 18.948 937 HD2 ARG 129 2HD ARG 129 -4.112 9.855 18.390 938 HD3 ARG 129 1HD ARG 129 -3.645 9.002 16.918 939 HE ARG 129 HE ARG 129 -6.258 8.726 16.762 940 HH11 ARG 129 1HH1 ARG 129 -4.424 11.553 17.700 941 HH12 ARG 129 2HH1 ARG 129 -5.626 12.680 17.153 942 HH21 ARG 129 1HH2 ARG 129 -7.844 10.195 16.051 943 HH22 ARG 129 2HH2 ARG 129 -7.585 11.904 16.221 944 H SER 130 HN SER 130 -5.265 3.764 20.205 945 HA SER 130 HA SER 130 -2.704 4.571 21.320 946 HB2 SER 130 2HB SER 130 -3.645 3.122 23.290 947 HB3 SER 130 1HB SER 130 -4.306 4.727 22.974 948 HG SER 130 HG SER 130 -5.398 2.209 22.214 949 H GLU 131 HN GLU 131 -4.197 1.752 19.877 950 HA GLU 131 HA GLU 131 -1.597 0.499 19.777 951 HB2 GLU 131 2HB GLU 131 -2.318 -1.641 20.710 952 HB3 GLU 131 1HB GLU 131 -2.431 -0.359 21.902 953 HG2 GLU 131 2HG GLU 131 -4.832 -1.166 20.316 954 HG3 GLU 131 1HG GLU 131 -4.322 -2.105 21.713 955 H PHE 132 HN PHE 132 -1.689 -1.587 18.520 956 HA PHE 132 HA PHE 132 -3.726 -1.396 16.391 957 HB2 PHE 132 2HB PHE 132 -0.872 -2.391 16.292 958 HB3 PHE 132 1HB PHE 132 -2.029 -2.650 14.997 959 HD1 PHE 132 1HD PHE 132 -2.845 -0.765 13.665 960 HD2 PHE 132 2HD PHE 132 0.186 -0.284 16.612 961 HE1 PHE 132 1HE PHE 132 -2.208 1.386 12.655 962 HE2 PHE 132 2HE PHE 132 0.820 1.868 15.616 963 HZ PHE 132 HZ PHE 132 -0.373 2.709 13.634 964 H HIS 133 HN HIS 133 -4.652 -3.303 15.613 965 HA HIS 133 HA HIS 133 -3.849 -5.767 16.968 966 HB2 HIS 133 2HB HIS 133 -6.257 -6.552 16.587 967 HB3 HIS 133 1HB HIS 133 -5.950 -5.459 17.924 968 HD1 HIS 133 1HD HIS 133 -8.092 -5.920 15.044 969 HD2 HIS 133 2HD HIS 133 -6.692 -2.724 17.288 970 HE1 HIS 133 1HE HIS 133 -9.672 -4.019 14.566 971 HE2 HIS 133 2HE HIS 133 -8.975 -2.212 16.179 972 H ARG 134 HN ARG 134 -3.587 -7.537 15.695 973 HA ARG 134 HA ARG 134 -2.983 -6.909 12.972 974 HB2 ARG 134 2HB ARG 134 -1.498 -8.298 14.272 975 HB3 ARG 134 1HB ARG 134 -2.766 -9.494 14.488 976 HG2 ARG 134 2HG ARG 134 -2.629 -10.230 12.312 977 HG3 ARG 134 1HG ARG 134 -1.889 -8.733 11.739 978 HD2 ARG 134 2HD ARG 134 0.182 -9.353 12.374 979 HD3 ARG 134 1HD ARG 134 -0.417 -10.219 13.780 980 HE ARG 134 HE ARG 134 -1.009 -11.498 11.251 981 HH11 ARG 134 1HH1 ARG 134 1.297 -11.174 13.857 982 HH12 ARG 134 2HH1 ARG 134 2.057 -12.707 13.572 983 HH21 ARG 134 1HH2 ARG 134 -0.035 -13.559 10.876 984 HH22 ARG 134 2HH2 ARG 134 1.289 -14.069 11.883 985 H GLU 135 HN GLU 135 -3.812 -7.755 11.120 986 HA GLU 135 HA GLU 135 -6.272 -9.356 11.336 987 HB2 GLU 135 2HB GLU 135 -6.838 -6.990 10.814 988 HB3 GLU 135 1HB GLU 135 -5.815 -7.077 9.388 989 HG2 GLU 135 2HG GLU 135 -7.260 -8.816 8.460 990 HG3 GLU 135 1HG GLU 135 -8.287 -8.723 9.889 991 H ASP 136 HN ASP 136 -6.643 -10.715 9.468 992 HA ASP 136 HA ASP 136 -4.111 -11.437 8.188 993 HB2 ASP 136 2HB ASP 136 -6.672 -12.969 8.602 994 HB3 ASP 136 1HB ASP 136 -5.414 -13.526 7.504 995 H ILE 137 HN ILE 137 -3.957 -11.760 5.975 996 HA ILE 137 HA ILE 137 -5.625 -9.949 4.468 997 HB ILE 137 HB ILE 137 -3.208 -11.572 3.645 998 HG12 ILE 137 2HG1 ILE 137 -2.263 -9.176 3.389 999 HG13 ILE 137 1HG1 ILE 137 -3.615 -8.680 4.400 1000 HG21 ILE 137 1HG2 ILE 137 -4.779 -9.537 2.071 1001 HG22 ILE 137 2HG2 ILE 137 -4.658 -11.265 1.736 1002 HG23 ILE 137 3HG2 ILE 137 -3.235 -10.237 1.579 1003 HD11 ILE 137 3HD1 ILE 137 -2.820 -10.164 6.172 1004 HD12 ILE 137 1HD1 ILE 137 -1.601 -8.975 5.711 1005 HD13 ILE 137 2HD1 ILE 137 -1.462 -10.643 5.154 1006 H VAL 138 HN VAL 138 -7.244 -10.522 3.183 1007 HA VAL 138 HA VAL 138 -7.641 -13.389 2.670 1008 HB VAL 138 HB VAL 138 -10.046 -12.771 2.268 1009 HG11 VAL 138 1HG1 VAL 138 -9.364 -13.789 4.365 1010 HG12 VAL 138 2HG1 VAL 138 -10.603 -12.570 4.665 1011 HG13 VAL 138 3HG1 VAL 138 -8.911 -12.211 5.010 1012 HG21 VAL 138 3HG2 VAL 138 -9.734 -10.384 1.844 1013 HG22 VAL 138 1HG2 VAL 138 -9.211 -10.153 3.513 1014 HG23 VAL 138 2HG2 VAL 138 -10.867 -10.655 3.169 1015 H ARG 139 HN ARG 139 -8.119 -14.102 0.631 1016 HA ARG 139 HA ARG 139 -7.371 -12.346 -1.539 1017 HB2 ARG 139 2HB ARG 139 -8.025 -15.278 -1.329 1018 HB3 ARG 139 1HB ARG 139 -7.946 -14.490 -2.893 1019 HG2 ARG 139 2HG ARG 139 -5.845 -15.487 -2.557 1020 HG3 ARG 139 1HG ARG 139 -5.609 -13.762 -2.285 1021 HD2 ARG 139 2HD ARG 139 -5.763 -14.150 0.144 1022 HD3 ARG 139 1HD ARG 139 -5.933 -15.879 -0.159 1023 HE ARG 139 HE ARG 139 -3.519 -14.294 -0.775 1024 HH11 ARG 139 1HH1 ARG 139 -5.067 -17.331 0.028 1025 HH12 ARG 139 2HH1 ARG 139 -3.570 -18.193 0.206 1026 HH21 ARG 139 1HH2 ARG 139 -1.534 -15.446 -0.564 1027 HH22 ARG 139 2HH2 ARG 139 -1.577 -17.138 -0.157 1028 HA PRO 140 HA PRO 140 -11.469 -10.937 -2.183 1029 HB2 PRO 140 2HB PRO 140 -11.276 -10.199 -4.817 1030 HB3 PRO 140 1HB PRO 140 -10.652 -9.236 -3.474 1031 HG2 PRO 140 2HG PRO 140 -9.204 -11.085 -5.320 1032 HG3 PRO 140 1HG PRO 140 -8.692 -9.517 -4.671 1033 HD2 PRO 140 2HD PRO 140 -7.784 -11.860 -3.679 1034 HD3 PRO 140 1HD PRO 140 -8.015 -10.423 -2.666 1035 H ASP 141 HN ASP 141 -13.402 -11.402 -3.293 1036 HA ASP 141 HA ASP 141 -13.916 -14.062 -3.844 1037 HB2 ASP 141 2HB ASP 141 -15.440 -11.636 -4.821 1038 HB3 ASP 141 1HB ASP 141 -16.069 -13.279 -4.740 1039 HA PRO 142 HA PRO 142 -11.988 -14.571 -7.720 1040 HB2 PRO 142 2HB PRO 142 -12.939 -17.011 -8.372 1041 HB3 PRO 142 1HB PRO 142 -11.787 -16.763 -7.054 1042 HG2 PRO 142 2HG PRO 142 -14.751 -17.144 -6.938 1043 HG3 PRO 142 1HG PRO 142 -13.491 -17.832 -5.900 1044 HD2 PRO 142 2HD PRO 142 -15.014 -15.675 -5.201 1045 HD3 PRO 142 1HD PRO 142 -13.368 -15.948 -4.592 1046 H GLU 143 HN GLU 143 -14.329 -12.955 -7.906 1047 HA GLU 143 HA GLU 143 -15.234 -13.765 -10.596 1048 HB2 GLU 143 2HB GLU 143 -16.771 -12.148 -8.553 1049 HB3 GLU 143 1HB GLU 143 -17.314 -12.496 -10.187 1050 HG2 GLU 143 2HG GLU 143 -17.252 -14.918 -9.622 1051 HG3 GLU 143 1HG GLU 143 -16.879 -14.469 -7.959 1052 H ALA 144 HN ALA 144 -13.869 -11.361 -8.550 1053 HA ALA 144 HA ALA 144 -14.208 -9.184 -10.426 1054 HB1 ALA 144 1HB ALA 144 -12.706 -9.316 -7.813 1055 HB2 ALA 144 2HB ALA 144 -14.360 -8.741 -8.030 1056 HB3 ALA 144 3HB ALA 144 -13.015 -7.854 -8.751 1057 HA PRO 145 HA PRO 145 -10.392 -9.596 -12.666 1058 HB2 PRO 145 2HB PRO 145 -10.168 -6.657 -12.350 1059 HB3 PRO 145 1HB PRO 145 -10.170 -7.634 -13.820 1060 HG2 PRO 145 2HG PRO 145 -12.294 -6.161 -13.123 1061 HG3 PRO 145 1HG PRO 145 -12.469 -7.737 -13.916 1062 HD2 PRO 145 2HD PRO 145 -12.881 -6.999 -11.057 1063 HD3 PRO 145 1HD PRO 145 -13.744 -8.182 -12.056 1064 H LEU 146 HN LEU 146 -8.268 -9.793 -12.184 1065 HA LEU 146 HA LEU 146 -7.459 -9.519 -9.475 1066 HB2 LEU 146 2HB LEU 146 -5.732 -10.054 -11.895 1067 HB3 LEU 146 1HB LEU 146 -5.327 -10.392 -10.228 1068 HG LEU 146 HG LEU 146 -7.497 -11.750 -11.810 1069 HD11 LEU 146 1HD1 LEU 146 -5.266 -12.396 -12.536 1070 HD12 LEU 146 2HD1 LEU 146 -6.059 -13.719 -11.683 1071 HD13 LEU 146 3HD1 LEU 146 -4.819 -12.763 -10.872 1072 HD21 LEU 146 3HD2 LEU 146 -7.714 -13.235 -9.897 1073 HD22 LEU 146 1HD2 LEU 146 -8.047 -11.568 -9.430 1074 HD23 LEU 146 2HD2 LEU 146 -6.499 -12.307 -9.020 1075 H GLU 147 HN GLU 147 -5.680 -8.280 -12.272 1076 HA GLU 147 HA GLU 147 -5.045 -5.836 -10.816 1077 HB2 GLU 147 2HB GLU 147 -3.366 -7.412 -12.015 1078 HB3 GLU 147 1HB GLU 147 -3.984 -6.713 -13.500 1079 HG2 GLU 147 2HG GLU 147 -2.904 -4.993 -11.310 1080 HG3 GLU 147 1HG GLU 147 -1.849 -5.788 -12.471 1081 H HIS 148 HN HIS 148 -5.384 -3.780 -11.838 1082 HA HIS 148 HA HIS 148 -6.394 -2.209 -13.120 1083 HB2 HIS 148 2HB HIS 148 -6.282 -4.479 -14.930 1084 HB3 HIS 148 1HB HIS 148 -7.686 -3.461 -15.234 1085 HD1 HIS 148 1HD HIS 148 -3.912 -3.347 -15.203 1086 HD2 HIS 148 2HD HIS 148 -7.149 -1.013 -16.395 1087 HE1 HIS 148 1HE HIS 148 -2.941 -1.485 -16.596 1088 HE2 HIS 148 2HE HIS 148 -4.893 0.031 -17.116 1089 H HIS 149 HN HIS 149 -8.103 -1.266 -12.301 1090 HA HIS 149 HA HIS 149 -10.498 -2.787 -11.692 1091 HB2 HIS 149 2HB HIS 149 -9.566 -0.969 -10.184 1092 HB3 HIS 149 1HB HIS 149 -10.098 0.199 -11.390 1093 HD1 HIS 149 1HD HIS 149 -12.262 1.228 -10.759 1094 HD2 HIS 149 2HD HIS 149 -11.989 -2.722 -9.471 1095 HE1 HIS 149 1HE HIS 149 -14.420 0.749 -9.563 1096 HE2 HIS 149 2HE HIS 149 -14.261 -1.659 -8.831 1097 H HIS 150 HN HIS 150 -9.237 -1.140 -14.306 1098 HA HIS 150 HA HIS 150 -11.904 -0.842 -15.523 1099 HB2 HIS 150 2HB HIS 150 -9.336 0.645 -16.145 1100 HB3 HIS 150 1HB HIS 150 -10.779 0.727 -17.148 1101 HD1 HIS 150 1HD HIS 150 -10.193 3.394 -16.358 1102 HD2 HIS 150 2HD HIS 150 -12.058 0.835 -13.650 1103 HE1 HIS 150 1HE HIS 150 -11.257 4.878 -14.628 1104 HE2 HIS 150 2HE HIS 150 -12.208 3.305 -12.906 1105 H HIS 151 HN HIS 151 -12.166 -1.683 -17.656 1106 HA HIS 151 HA HIS 151 -10.522 -4.063 -17.988 1107 HB2 HIS 151 2HB HIS 151 -13.215 -3.220 -18.916 1108 HB3 HIS 151 1HB HIS 151 -12.351 -4.413 -19.880 1109 HD1 HIS 151 1HD HIS 151 -14.873 -4.462 -17.555 1110 HD2 HIS 151 2HD HIS 151 -11.194 -6.401 -17.701 1111 HE1 HIS 151 1HE HIS 151 -15.111 -6.497 -16.083 1112 HE2 HIS 151 2HE HIS 151 -12.941 -7.760 -16.365 1113 H HIS 152 HN HIS 152 -9.863 -1.161 -18.977 1114 HA HIS 152 HA HIS 152 -8.627 -2.192 -21.413 1115 HB2 HIS 152 2HB HIS 152 -9.085 -0.204 -22.706 1116 HB3 HIS 152 1HB HIS 152 -10.610 -0.858 -22.129 1117 HD1 HIS 152 1HD HIS 152 -8.266 2.052 -21.638 1118 HD2 HIS 152 2HD HIS 152 -12.070 0.807 -20.490 1119 HE1 HIS 152 1HE HIS 152 -9.359 4.066 -20.600 1120 HE2 HIS 152 2HE HIS 152 -11.730 3.342 -20.139 1121 H HIS 153 HN HIS 153 -6.770 -0.862 -22.097 1122 HA HIS 153 HA HIS 153 -5.508 0.384 -19.750 1123 HB2 HIS 153 2HB HIS 153 -3.342 -0.204 -20.742 1124 HB3 HIS 153 1HB HIS 153 -4.340 -1.633 -20.526 1125 HD1 HIS 153 1HD HIS 153 -2.420 0.205 -23.014 1126 HD2 HIS 153 2HD HIS 153 -5.503 -2.586 -23.047 1127 HE1 HIS 153 1HE HIS 153 -2.482 -0.714 -25.357 1128 HE2 HIS 153 2HE HIS 153 -4.488 -2.240 -25.405 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -7.521 -6.536 5.467 2 H2 MET 1 H2 MET 1 -6.626 -7.544 4.438 3 H3 MET 1 H3 MET 1 -8.157 -8.029 4.971 4 HA MET 1 HA MET 1 -9.208 -6.268 3.760 5 HB2 MET 1 2HB MET 1 -8.006 -4.737 2.387 6 HB3 MET 1 1HB MET 1 -7.236 -4.709 3.965 7 HG2 MET 1 2HG MET 1 -6.232 -6.201 1.552 8 HG3 MET 1 1HG MET 1 -5.620 -4.656 2.137 9 HE1 MET 1 2HE MET 1 -3.697 -7.084 1.579 10 HE2 MET 1 3HE MET 1 -2.666 -7.039 3.011 11 HE3 MET 1 1HE MET 1 -3.155 -5.538 2.225 12 H LYS 2 HN LYS 2 -9.349 -6.260 1.225 13 HA LYS 2 HA LYS 2 -8.967 -9.067 0.456 14 HB2 LYS 2 2HB LYS 2 -10.915 -6.954 -0.302 15 HB3 LYS 2 1HB LYS 2 -10.485 -8.122 -1.541 16 HG2 LYS 2 2HG LYS 2 -12.337 -9.081 -0.589 17 HG3 LYS 2 1HG LYS 2 -11.028 -9.883 0.268 18 HD2 LYS 2 2HD LYS 2 -11.319 -8.382 2.164 19 HD3 LYS 2 1HD LYS 2 -12.589 -7.511 1.298 20 HE2 LYS 2 2HE LYS 2 -13.951 -9.524 1.236 21 HE3 LYS 2 1HE LYS 2 -12.678 -10.433 2.043 22 HZ1 LYS 2 3HZ LYS 2 -14.228 -8.168 3.205 23 HZ2 LYS 2 1HZ LYS 2 -12.957 -8.987 3.984 24 HZ3 LYS 2 2HZ LYS 2 -14.383 -9.811 3.601 25 H THR 3 HN THR 3 -7.321 -9.568 -0.781 26 HA THR 3 HA THR 3 -6.810 -8.128 -3.199 27 HB THR 3 HB THR 3 -5.467 -6.808 -1.525 28 HG1 THR 3 1HG THR 3 -4.733 -6.655 -3.590 29 HG21 THR 3 3HG2 THR 3 -4.783 -8.637 -0.057 30 HG22 THR 3 1HG2 THR 3 -3.376 -7.784 -0.694 31 HG23 THR 3 2HG2 THR 3 -3.839 -9.347 -1.367 32 H THR 4 HN THR 4 -4.799 -9.249 -4.321 33 HA THR 4 HA THR 4 -5.301 -12.110 -4.026 34 HB THR 4 HB THR 4 -4.063 -12.300 -6.202 35 HG1 THR 4 1HG THR 4 -4.337 -9.748 -6.984 36 HG21 THR 4 3HG2 THR 4 -6.465 -10.461 -6.172 37 HG22 THR 4 1HG2 THR 4 -6.503 -12.223 -6.151 38 HG23 THR 4 2HG2 THR 4 -5.890 -11.373 -7.568 39 HA PRO 5 HA PRO 5 -1.431 -13.033 -2.073 40 HB2 PRO 5 2HB PRO 5 -0.844 -15.391 -3.397 41 HB3 PRO 5 1HB PRO 5 -1.923 -15.255 -2.010 42 HG2 PRO 5 2HG PRO 5 -2.585 -15.398 -4.914 43 HG3 PRO 5 1HG PRO 5 -3.403 -16.159 -3.537 44 HD2 PRO 5 2HD PRO 5 -4.391 -13.965 -4.721 45 HD3 PRO 5 1HD PRO 5 -4.521 -14.210 -2.969 46 H ASP 6 HN ASP 6 -1.752 -13.019 -5.526 47 HA ASP 6 HA ASP 6 0.944 -13.056 -6.283 48 HB2 ASP 6 2HB ASP 6 -0.840 -13.369 -7.901 49 HB3 ASP 6 1HB ASP 6 -1.412 -11.734 -7.611 50 H ILE 7 HN ILE 7 -1.216 -10.376 -5.443 51 HA ILE 7 HA ILE 7 0.605 -8.278 -5.881 52 HB ILE 7 HB ILE 7 -1.690 -8.456 -3.920 53 HG12 ILE 7 2HG1 ILE 7 -2.394 -8.693 -6.240 54 HG13 ILE 7 1HG1 ILE 7 -2.904 -7.132 -5.614 55 HG21 ILE 7 1HG2 ILE 7 -1.623 -6.026 -3.799 56 HG22 ILE 7 2HG2 ILE 7 -0.211 -6.001 -4.855 57 HG23 ILE 7 3HG2 ILE 7 -0.095 -6.721 -3.250 58 HD11 ILE 7 3HD1 ILE 7 -1.060 -6.052 -6.768 59 HD12 ILE 7 1HD1 ILE 7 -2.070 -6.962 -7.891 60 HD13 ILE 7 2HD1 ILE 7 -0.515 -7.616 -7.376 61 H LEU 8 HN LEU 8 -0.110 -10.223 -3.008 62 HA LEU 8 HA LEU 8 1.563 -8.980 -1.166 63 HB2 LEU 8 2HB LEU 8 0.960 -11.928 -1.398 64 HB3 LEU 8 1HB LEU 8 1.580 -11.121 0.029 65 HG LEU 8 HG LEU 8 -1.129 -10.625 -1.210 66 HD11 LEU 8 1HD1 LEU 8 -0.348 -12.130 1.282 67 HD12 LEU 8 2HD1 LEU 8 -0.951 -12.842 -0.214 68 HD13 LEU 8 3HD1 LEU 8 -1.993 -11.795 0.749 69 HD21 LEU 8 3HD2 LEU 8 -1.572 -9.354 0.835 70 HD22 LEU 8 1HD2 LEU 8 -0.238 -8.652 -0.080 71 HD23 LEU 8 2HD2 LEU 8 0.091 -9.614 1.361 72 H ASP 9 HN ASP 9 2.269 -11.575 -3.467 73 HA ASP 9 HA ASP 9 4.958 -11.983 -2.702 74 HB2 ASP 9 2HB ASP 9 3.581 -13.555 -4.091 75 HB3 ASP 9 1HB ASP 9 3.755 -12.438 -5.439 76 H GLN 10 HN GLN 10 3.459 -9.982 -5.198 77 HA GLN 10 HA GLN 10 5.816 -8.955 -6.315 78 HB2 GLN 10 2HB GLN 10 3.056 -7.752 -6.138 79 HB3 GLN 10 1HB GLN 10 4.365 -7.059 -7.085 80 HG2 GLN 10 2HG GLN 10 4.494 -9.214 -8.336 81 HG3 GLN 10 1HG GLN 10 3.040 -9.726 -7.483 82 HE21 GLN 10 1HE2 GLN 10 1.081 -8.797 -7.994 83 HE22 GLN 10 2HE2 GLN 10 0.856 -7.825 -9.404 84 H ILE 11 HN ILE 11 3.912 -7.890 -3.536 85 HA ILE 11 HA ILE 11 5.262 -5.495 -2.988 86 HB ILE 11 HB ILE 11 4.051 -7.459 -1.028 87 HG12 ILE 11 2HG1 ILE 11 2.934 -4.911 -2.220 88 HG13 ILE 11 1HG1 ILE 11 2.472 -6.545 -2.694 89 HG21 ILE 11 1HG2 ILE 11 3.989 -5.582 0.552 90 HG22 ILE 11 2HG2 ILE 11 4.869 -4.584 -0.606 91 HG23 ILE 11 3HG2 ILE 11 5.639 -6.005 0.102 92 HD11 ILE 11 3HD1 ILE 11 2.064 -5.307 0.021 93 HD12 ILE 11 1HD1 ILE 11 1.608 -6.945 -0.449 94 HD13 ILE 11 2HD1 ILE 11 0.827 -5.560 -1.211 95 H ARG 12 HN ARG 12 5.962 -8.822 -1.974 96 HA ARG 12 HA ARG 12 8.212 -8.265 -0.389 97 HB2 ARG 12 2HB ARG 12 7.572 -10.733 -2.010 98 HB3 ARG 12 1HB ARG 12 8.829 -10.637 -0.787 99 HG2 ARG 12 2HG ARG 12 7.148 -10.223 0.928 100 HG3 ARG 12 1HG ARG 12 5.877 -10.279 -0.298 101 HD2 ARG 12 2HD ARG 12 6.511 -12.586 -0.832 102 HD3 ARG 12 1HD ARG 12 7.763 -12.525 0.405 103 HE ARG 12 HE ARG 12 5.444 -11.923 1.728 104 HH11 ARG 12 1HH1 ARG 12 6.529 -14.541 -0.314 105 HH12 ARG 12 2HH1 ARG 12 5.580 -15.752 0.502 106 HH21 ARG 12 1HH2 ARG 12 4.176 -13.515 2.825 107 HH22 ARG 12 2HH2 ARG 12 4.278 -15.177 2.309 108 H VAL 13 HN VAL 13 7.974 -9.177 -3.826 109 HA VAL 13 HA VAL 13 10.742 -9.151 -4.354 110 HB VAL 13 HB VAL 13 8.460 -8.650 -6.283 111 HG11 VAL 13 1HG1 VAL 13 10.027 -9.376 -8.013 112 HG12 VAL 13 2HG1 VAL 13 11.307 -9.493 -6.806 113 HG13 VAL 13 3HG1 VAL 13 10.599 -7.924 -7.192 114 HG21 VAL 13 3HG2 VAL 13 8.672 -11.041 -6.810 115 HG22 VAL 13 1HG2 VAL 13 8.220 -10.776 -5.125 116 HG23 VAL 13 2HG2 VAL 13 9.881 -11.205 -5.536 117 H HIS 14 HN HIS 14 8.254 -6.645 -4.852 118 HA HIS 14 HA HIS 14 10.058 -4.736 -5.913 119 HB2 HIS 14 2HB HIS 14 7.306 -4.467 -4.719 120 HB3 HIS 14 1HB HIS 14 8.215 -3.080 -5.312 121 HD1 HIS 14 1HD HIS 14 9.374 -4.546 -7.898 122 HD2 HIS 14 2HD HIS 14 5.386 -4.479 -6.693 123 HE1 HIS 14 1HE HIS 14 8.025 -4.928 -9.980 124 HE2 HIS 14 2HE HIS 14 5.621 -4.949 -9.231 125 H GLY 15 HN GLY 15 9.172 -5.598 -2.647 126 HA2 GLY 15 2HA GLY 15 10.244 -3.303 -1.365 127 HA3 GLY 15 1HA GLY 15 9.988 -4.876 -0.623 128 H ALA 16 HN ALA 16 11.646 -6.471 -2.162 129 HA ALA 16 HA ALA 16 14.233 -5.833 -1.141 130 HB1 ALA 16 1HB ALA 16 13.477 -8.143 -1.388 131 HB2 ALA 16 2HB ALA 16 14.958 -7.860 -2.303 132 HB3 ALA 16 3HB ALA 16 13.408 -7.939 -3.139 133 H ASP 17 HN ASP 17 12.587 -5.424 -4.158 134 HA ASP 17 HA ASP 17 14.737 -4.708 -5.829 135 HB2 ASP 17 2HB ASP 17 12.510 -5.247 -6.664 136 HB3 ASP 17 1HB ASP 17 11.838 -3.861 -5.834 137 H ALA 18 HN ALA 18 12.692 -2.904 -3.652 138 HA ALA 18 HA ALA 18 13.624 -0.316 -4.279 139 HB1 ALA 18 1HB ALA 18 11.531 -0.723 -3.078 140 HB2 ALA 18 2HB ALA 18 12.587 0.374 -2.190 141 HB3 ALA 18 3HB ALA 18 12.444 -1.311 -1.689 142 H TYR 19 HN TYR 19 14.647 -2.685 -1.856 143 HA TYR 19 HA TYR 19 16.573 -1.062 -0.580 144 HB2 TYR 19 2HB TYR 19 16.006 -3.991 -0.696 145 HB3 TYR 19 1HB TYR 19 17.577 -3.481 -0.093 146 HD1 TYR 19 1HD TYR 19 14.403 -1.634 0.399 147 HD2 TYR 19 2HD TYR 19 17.345 -4.154 2.163 148 HE1 TYR 19 1HE TYR 19 13.433 -1.206 2.618 149 HE2 TYR 19 2HE TYR 19 16.379 -3.736 4.383 150 HH TYR 19 HH TYR 19 14.996 -2.256 5.548 151 HA PRO 20 HA PRO 20 18.648 -1.547 0.404 152 HB2 PRO 20 2HB PRO 20 20.919 0.160 -0.050 153 HB3 PRO 20 1HB PRO 20 20.884 -1.451 0.666 154 HG2 PRO 20 2HG PRO 20 22.023 -0.846 -1.765 155 HG3 PRO 20 1HG PRO 20 21.462 -2.460 -1.293 156 HD2 PRO 20 2HD PRO 20 20.133 -0.413 -3.020 157 HD3 PRO 20 1HD PRO 20 20.169 -2.183 -3.183 158 H GLU 21 HN GLU 21 17.959 0.557 -2.114 159 HA GLU 21 HA GLU 21 18.117 3.063 -0.782 160 HB2 GLU 21 2HB GLU 21 16.563 2.156 -3.203 161 HB3 GLU 21 1HB GLU 21 16.518 3.807 -2.606 162 HG2 GLU 21 2HG GLU 21 18.069 3.733 -4.394 163 HG3 GLU 21 1HG GLU 21 18.993 3.903 -2.905 164 H GLU 22 HN GLU 22 15.830 4.362 -0.892 165 HA GLU 22 HA GLU 22 14.308 3.184 1.254 166 HB2 GLU 22 2HB GLU 22 14.066 5.835 -0.174 167 HB3 GLU 22 1HB GLU 22 12.995 5.338 1.126 168 HG2 GLU 22 2HG GLU 22 14.649 6.783 2.034 169 HG3 GLU 22 1HG GLU 22 14.986 5.149 2.603 170 H GLY 23 HN GLY 23 12.153 2.572 1.194 171 HA2 GLY 23 2HA GLY 23 11.005 2.312 -1.512 172 HA3 GLY 23 1HA GLY 23 10.905 1.029 -0.315 173 H CYS 24 HN CYS 24 9.181 0.939 0.912 174 HA CYS 24 HA CYS 24 7.069 1.272 1.608 175 HB2 CYS 24 2HB CYS 24 6.673 3.209 2.991 176 HB3 CYS 24 1HB CYS 24 8.301 2.608 3.264 177 HG CYS 24 HG CYS 24 8.741 4.809 1.009 178 H GLY 25 HN GLY 25 5.222 3.210 1.651 179 HA2 GLY 25 2HA GLY 25 4.676 5.006 -0.195 180 HA3 GLY 25 1HA GLY 25 4.682 3.563 -1.201 181 H PHE 26 HN PHE 26 2.436 4.270 -1.601 182 HA PHE 26 HA PHE 26 0.634 3.566 0.620 183 HB2 PHE 26 2HB PHE 26 0.233 5.454 -1.703 184 HB3 PHE 26 1HB PHE 26 -1.068 4.950 -0.630 185 HD1 PHE 26 1HD PHE 26 2.150 6.760 -0.782 186 HD2 PHE 26 2HD PHE 26 -1.349 5.936 1.493 187 HE1 PHE 26 1HE PHE 26 2.753 8.554 0.789 188 HE2 PHE 26 2HE PHE 26 -0.755 7.732 3.066 189 HZ PHE 26 HZ PHE 26 1.299 9.041 2.717 190 H LEU 27 HN LEU 27 -1.371 2.504 0.083 191 HA LEU 27 HA LEU 27 -1.014 0.586 -2.111 192 HB2 LEU 27 2HB LEU 27 -2.911 0.502 0.243 193 HB3 LEU 27 1HB LEU 27 -2.690 -0.770 -0.944 194 HG LEU 27 HG LEU 27 -0.582 0.182 0.997 195 HD11 LEU 27 1HD1 LEU 27 -2.411 -0.976 2.112 196 HD12 LEU 27 2HD1 LEU 27 -0.945 -1.957 2.109 197 HD13 LEU 27 3HD1 LEU 27 -2.254 -2.326 0.987 198 HD21 LEU 27 3HD2 LEU 27 0.373 -0.656 -1.081 199 HD22 LEU 27 1HD2 LEU 27 -0.590 -2.127 -0.947 200 HD23 LEU 27 2HD2 LEU 27 0.666 -1.784 0.244 201 H LEU 28 HN LEU 28 -2.321 0.607 -3.843 202 HA LEU 28 HA LEU 28 -4.493 2.585 -3.836 203 HB2 LEU 28 2HB LEU 28 -3.015 1.363 -6.169 204 HB3 LEU 28 1HB LEU 28 -4.277 2.573 -6.286 205 HG LEU 28 HG LEU 28 -1.564 2.963 -5.021 206 HD11 LEU 28 1HD1 LEU 28 -2.752 4.076 -7.557 207 HD12 LEU 28 2HD1 LEU 28 -1.502 2.836 -7.460 208 HD13 LEU 28 3HD1 LEU 28 -1.169 4.473 -6.892 209 HD21 LEU 28 3HD2 LEU 28 -2.217 5.305 -4.806 210 HD22 LEU 28 1HD2 LEU 28 -3.288 4.260 -3.873 211 HD23 LEU 28 2HD2 LEU 28 -3.825 4.920 -5.417 212 H GLY 29 HN GLY 29 -6.543 2.034 -4.370 213 HA2 GLY 29 2HA GLY 29 -7.333 -0.337 -5.663 214 HA3 GLY 29 1HA GLY 29 -7.409 -0.594 -3.920 215 H THR 30 HN THR 30 -9.690 -0.755 -3.957 216 HA THR 30 HA THR 30 -10.918 1.896 -4.011 217 HB THR 30 HB THR 30 -13.037 0.492 -4.838 218 HG1 THR 30 1HG THR 30 -11.611 -0.651 -6.750 219 HG21 THR 30 3HG2 THR 30 -12.585 1.366 -7.101 220 HG22 THR 30 1HG2 THR 30 -10.920 1.697 -6.623 221 HG23 THR 30 2HG2 THR 30 -12.248 2.560 -5.846 222 H VAL 31 HN VAL 31 -12.505 2.246 -2.521 223 HA VAL 31 HA VAL 31 -12.712 0.279 -0.384 224 HB VAL 31 HB VAL 31 -13.822 3.093 -0.517 225 HG11 VAL 31 1HG1 VAL 31 -13.561 1.203 1.818 226 HG12 VAL 31 2HG1 VAL 31 -15.063 1.684 1.029 227 HG13 VAL 31 3HG1 VAL 31 -14.106 2.880 1.902 228 HG21 VAL 31 3HG2 VAL 31 -11.331 2.044 0.828 229 HG22 VAL 31 1HG2 VAL 31 -11.973 3.681 0.989 230 HG23 VAL 31 2HG2 VAL 31 -11.394 3.111 -0.575 231 H THR 32 HN THR 32 -14.410 -1.019 -0.156 232 HA THR 32 HA THR 32 -16.372 -1.072 -2.233 233 HB THR 32 HB THR 32 -17.283 -3.036 -1.050 234 HG1 THR 32 1HG THR 32 -15.250 -2.443 0.868 235 HG21 THR 32 3HG2 THR 32 -14.271 -3.022 -1.314 236 HG22 THR 32 1HG2 THR 32 -15.430 -3.351 -2.604 237 HG23 THR 32 2HG2 THR 32 -15.283 -4.465 -1.244 238 H ASP 33 HN ASP 33 -18.727 -1.576 -1.486 239 HA ASP 33 HA ASP 33 -19.628 0.887 -0.271 240 HB2 ASP 33 2HB ASP 33 -21.071 -1.363 -1.662 241 HB3 ASP 33 1HB ASP 33 -21.897 0.014 -0.946 242 H ASP 34 HN ASP 34 -18.905 -2.160 0.840 243 HA ASP 34 HA ASP 34 -20.911 -2.044 2.961 244 HB2 ASP 34 2HB ASP 34 -20.561 -4.200 1.727 245 HB3 ASP 34 1HB ASP 34 -18.953 -4.278 2.449 246 H GLY 35 HN GLY 35 -17.480 -1.740 2.432 247 HA2 GLY 35 2HA GLY 35 -16.596 -0.135 4.217 248 HA3 GLY 35 1HA GLY 35 -17.126 -1.379 5.338 249 H ASP 36 HN ASP 36 -16.129 -3.077 2.763 250 HA ASP 36 HA ASP 36 -13.578 -3.718 3.945 251 HB2 ASP 36 2HB ASP 36 -15.147 -4.772 1.659 252 HB3 ASP 36 1HB ASP 36 -13.415 -5.022 1.622 253 H ASN 37 HN ASN 37 -11.584 -3.589 2.923 254 HA ASN 37 HA ASN 37 -11.343 -1.491 0.867 255 HB2 ASN 37 2HB ASN 37 -9.348 -2.286 3.010 256 HB3 ASN 37 1HB ASN 37 -9.047 -1.109 1.740 257 HD21 ASN 37 1HD2 ASN 37 -8.917 -0.733 4.575 258 HD22 ASN 37 2HD2 ASN 37 -10.058 0.506 4.963 259 H ARG 38 HN ARG 38 -10.610 -2.217 -1.063 260 HA ARG 38 HA ARG 38 -9.122 -4.755 -1.015 261 HB2 ARG 38 2HB ARG 38 -10.071 -5.408 -3.074 262 HB3 ARG 38 1HB ARG 38 -11.399 -4.840 -2.081 263 HG2 ARG 38 2HG ARG 38 -11.030 -2.607 -3.309 264 HG3 ARG 38 1HG ARG 38 -10.180 -3.598 -4.493 265 HD2 ARG 38 2HD ARG 38 -12.193 -5.074 -4.601 266 HD3 ARG 38 1HD ARG 38 -13.039 -3.909 -3.583 267 HE ARG 38 HE ARG 38 -12.085 -2.433 -5.680 268 HH11 ARG 38 1HH1 ARG 38 -14.210 -5.196 -5.311 269 HH12 ARG 38 2HH1 ARG 38 -15.072 -4.892 -6.793 270 HH21 ARG 38 1HH2 ARG 38 -13.195 -2.049 -7.644 271 HH22 ARG 38 2HH2 ARG 38 -14.469 -3.126 -8.138 272 H VAL 39 HN VAL 39 -7.319 -4.960 -2.193 273 HA VAL 39 HA VAL 39 -6.113 -2.418 -3.063 274 HB VAL 39 HB VAL 39 -4.704 -4.953 -2.200 275 HG11 VAL 39 1HG1 VAL 39 -2.701 -3.557 -2.117 276 HG12 VAL 39 2HG1 VAL 39 -3.628 -2.183 -2.719 277 HG13 VAL 39 3HG1 VAL 39 -3.387 -3.601 -3.738 278 HG21 VAL 39 3HG2 VAL 39 -5.890 -3.966 -0.324 279 HG22 VAL 39 1HG2 VAL 39 -5.164 -2.395 -0.666 280 HG23 VAL 39 2HG2 VAL 39 -4.151 -3.740 -0.143 281 H ALA 40 HN ALA 40 -5.688 -2.156 -5.145 282 HA ALA 40 HA ALA 40 -5.670 -4.553 -6.863 283 HB1 ALA 40 1HB ALA 40 -7.650 -3.164 -7.210 284 HB2 ALA 40 2HB ALA 40 -6.618 -3.178 -8.639 285 HB3 ALA 40 3HB ALA 40 -6.620 -1.778 -7.567 286 H ALA 41 HN ALA 41 -3.989 -1.643 -5.977 287 HA ALA 41 HA ALA 41 -1.852 -2.339 -7.844 288 HB1 ALA 41 1HB ALA 41 -3.245 -0.719 -9.049 289 HB2 ALA 41 2HB ALA 41 -1.641 -0.078 -8.697 290 HB3 ALA 41 3HB ALA 41 -3.025 0.437 -7.733 291 H LEU 42 HN LEU 42 0.151 -1.088 -7.409 292 HA LEU 42 HA LEU 42 0.367 -0.358 -4.560 293 HB2 LEU 42 2HB LEU 42 2.449 -1.759 -6.246 294 HB3 LEU 42 1HB LEU 42 2.591 -1.356 -4.547 295 HG LEU 42 HG LEU 42 0.582 -3.305 -5.672 296 HD11 LEU 42 1HD1 LEU 42 2.849 -4.138 -5.971 297 HD12 LEU 42 2HD1 LEU 42 2.010 -5.041 -4.707 298 HD13 LEU 42 3HD1 LEU 42 3.203 -3.817 -4.274 299 HD21 LEU 42 3HD2 LEU 42 1.413 -2.697 -2.839 300 HD22 LEU 42 1HD2 LEU 42 0.281 -3.953 -3.337 301 HD23 LEU 42 2HD2 LEU 42 -0.121 -2.254 -3.586 302 H HIS 43 HN HIS 43 1.901 1.297 -4.066 303 HA HIS 43 HA HIS 43 3.121 2.640 -6.378 304 HB2 HIS 43 2HB HIS 43 0.997 3.814 -5.603 305 HB3 HIS 43 1HB HIS 43 1.845 4.168 -4.103 306 HD1 HIS 43 1HD HIS 43 3.111 6.343 -4.078 307 HD2 HIS 43 2HD HIS 43 2.454 4.921 -7.936 308 HE1 HIS 43 1HE HIS 43 3.911 8.150 -5.625 309 HE2 HIS 43 2HE HIS 43 3.304 7.363 -7.939 310 H ARG 44 HN ARG 44 5.228 2.777 -6.097 311 HA ARG 44 HA ARG 44 6.283 2.921 -3.355 312 HB2 ARG 44 2HB ARG 44 7.633 2.045 -5.918 313 HB3 ARG 44 1HB ARG 44 8.437 2.181 -4.360 314 HG2 ARG 44 2HG ARG 44 6.962 0.459 -3.450 315 HG3 ARG 44 1HG ARG 44 6.161 0.327 -5.019 316 HD2 ARG 44 2HD ARG 44 9.092 -0.189 -4.510 317 HD3 ARG 44 1HD ARG 44 7.854 -1.436 -4.661 318 HE ARG 44 HE ARG 44 7.540 -0.136 -6.968 319 HH11 ARG 44 1HH1 ARG 44 10.443 -1.278 -5.365 320 HH12 ARG 44 2HH1 ARG 44 11.345 -1.479 -6.842 321 HH21 ARG 44 1HH2 ARG 44 8.704 -0.392 -8.913 322 HH22 ARG 44 2HH2 ARG 44 10.343 -0.987 -8.872 323 H ALA 45 HN ALA 45 7.327 4.713 -2.735 324 HA ALA 45 HA ALA 45 7.337 7.043 -4.319 325 HB1 ALA 45 1HB ALA 45 7.302 7.077 -1.872 326 HB2 ALA 45 2HB ALA 45 8.623 8.050 -2.517 327 HB3 ALA 45 3HB ALA 45 8.952 6.455 -1.840 328 H THR 46 HN THR 46 8.465 7.134 -6.153 329 HA THR 46 HA THR 46 11.298 6.324 -6.072 330 HB THR 46 HB THR 46 9.633 6.079 -8.558 331 HG1 THR 46 1HG THR 46 8.947 4.755 -6.546 332 HG21 THR 46 3HG2 THR 46 12.071 6.024 -8.791 333 HG22 THR 46 1HG2 THR 46 11.356 4.462 -9.188 334 HG23 THR 46 2HG2 THR 46 12.153 4.697 -7.632 335 H ASN 47 HN ASN 47 12.660 7.854 -6.679 336 HA ASN 47 HA ASN 47 12.187 9.566 -8.897 337 HB2 ASN 47 2HB ASN 47 12.084 11.654 -7.882 338 HB3 ASN 47 1HB ASN 47 11.064 10.702 -6.819 339 HD21 ASN 47 1HD2 ASN 47 11.824 10.181 -4.742 340 HD22 ASN 47 2HD2 ASN 47 13.161 11.014 -4.030 341 H ARG 48 HN ARG 48 14.143 10.589 -9.569 342 HA ARG 48 HA ARG 48 16.516 10.051 -7.948 343 HB2 ARG 48 2HB ARG 48 16.039 9.056 -10.730 344 HB3 ARG 48 1HB ARG 48 17.669 9.507 -10.245 345 HG2 ARG 48 2HG ARG 48 17.528 7.907 -8.381 346 HG3 ARG 48 1HG ARG 48 15.924 7.429 -8.942 347 HD2 ARG 48 2HD ARG 48 16.793 6.560 -10.966 348 HD3 ARG 48 1HD ARG 48 18.369 7.295 -10.687 349 HE ARG 48 HE ARG 48 18.009 5.607 -8.566 350 HH11 ARG 48 1HH1 ARG 48 17.954 5.241 -12.043 351 HH12 ARG 48 2HH1 ARG 48 18.591 3.625 -12.021 352 HH21 ARG 48 1HH2 ARG 48 18.808 3.467 -8.512 353 HH22 ARG 48 2HH2 ARG 48 19.079 2.609 -10.005 354 H ARG 49 HN ARG 49 16.151 12.341 -7.568 355 HA ARG 49 HA ARG 49 16.689 14.546 -7.859 356 HB2 ARG 49 2HB ARG 49 18.869 13.215 -8.543 357 HB3 ARG 49 1HB ARG 49 18.473 13.798 -10.151 358 HG2 ARG 49 2HG ARG 49 18.554 16.104 -9.317 359 HG3 ARG 49 1HG ARG 49 19.001 15.493 -7.720 360 HD2 ARG 49 2HD ARG 49 20.561 15.256 -10.286 361 HD3 ARG 49 1HD ARG 49 21.007 16.150 -8.833 362 HE ARG 49 HE ARG 49 21.119 13.897 -7.723 363 HH11 ARG 49 1HH1 ARG 49 21.570 14.246 -11.183 364 HH12 ARG 49 2HH1 ARG 49 22.594 12.848 -11.325 365 HH21 ARG 49 1HH2 ARG 49 22.451 12.036 -7.909 366 HH22 ARG 49 2HH2 ARG 49 23.075 11.575 -9.465 367 H SER 50 HN SER 50 14.511 13.343 -9.307 368 HA SER 50 HA SER 50 14.509 13.989 -12.046 369 HB2 SER 50 2HB SER 50 12.094 13.552 -10.291 370 HB3 SER 50 1HB SER 50 12.245 13.232 -12.020 371 HG SER 50 HG SER 50 13.039 11.347 -11.563 372 H GLU 51 HN GLU 51 14.053 15.783 -13.084 373 HA GLU 51 HA GLU 51 13.301 17.829 -13.643 374 HB2 GLU 51 2HB GLU 51 11.135 16.958 -12.740 375 HB3 GLU 51 1HB GLU 51 11.537 17.692 -11.195 376 HG2 GLU 51 2HG GLU 51 9.968 18.982 -12.698 377 HG3 GLU 51 1HG GLU 51 11.353 19.865 -12.059 378 H GLN 52 HN GLN 52 13.434 20.111 -13.054 379 HA GLN 52 HA GLN 52 15.486 20.496 -10.987 380 HB2 GLN 52 2HB GLN 52 14.711 22.218 -13.351 381 HB3 GLN 52 1HB GLN 52 15.936 22.646 -12.168 382 HG2 GLN 52 2HG GLN 52 16.018 20.255 -13.989 383 HG3 GLN 52 1HG GLN 52 16.910 21.757 -14.220 384 HE21 GLN 52 1HE2 GLN 52 18.642 22.240 -12.841 385 HE22 GLN 52 2HE2 GLN 52 19.400 21.015 -11.881 386 H ARG 53 HN ARG 53 14.489 20.934 -9.109 387 HA ARG 53 HA ARG 53 12.133 22.588 -9.004 388 HB2 ARG 53 2HB ARG 53 12.613 20.656 -7.433 389 HB3 ARG 53 1HB ARG 53 13.841 21.663 -6.683 390 HG2 ARG 53 2HG ARG 53 11.092 22.766 -6.906 391 HG3 ARG 53 1HG ARG 53 11.381 21.485 -5.727 392 HD2 ARG 53 2HD ARG 53 13.101 22.787 -4.663 393 HD3 ARG 53 1HD ARG 53 12.995 24.025 -5.913 394 HE ARG 53 HE ARG 53 10.469 23.844 -4.830 395 HH11 ARG 53 1HH1 ARG 53 13.691 24.530 -3.627 396 HH12 ARG 53 2HH1 ARG 53 13.135 25.609 -2.379 397 HH21 ARG 53 1HH2 ARG 53 9.730 25.229 -3.173 398 HH22 ARG 53 2HH2 ARG 53 10.881 26.025 -2.136 399 H THR 54 HN THR 54 13.137 24.371 -10.131 400 HA THR 54 HA THR 54 15.081 25.962 -8.662 401 HB THR 54 HB THR 54 13.712 26.888 -11.167 402 HG1 THR 54 1HG THR 54 15.852 24.988 -11.105 403 HG21 THR 54 3HG2 THR 54 15.349 28.355 -10.106 404 HG22 THR 54 1HG2 THR 54 15.960 27.773 -11.654 405 HG23 THR 54 2HG2 THR 54 16.552 27.067 -10.148 406 H ARG 55 HN ARG 55 12.767 25.662 -7.222 407 HA ARG 55 HA ARG 55 11.066 26.711 -6.149 408 HB2 ARG 55 2HB ARG 55 13.010 28.548 -6.225 409 HB3 ARG 55 1HB ARG 55 11.832 29.392 -7.220 410 HG2 ARG 55 2HG ARG 55 10.891 28.276 -4.636 411 HG3 ARG 55 1HG ARG 55 11.954 29.682 -4.584 412 HD2 ARG 55 2HD ARG 55 9.461 29.574 -6.269 413 HD3 ARG 55 1HD ARG 55 9.465 30.146 -4.603 414 HE ARG 55 HE ARG 55 11.287 31.416 -6.513 415 HH11 ARG 55 1HH1 ARG 55 8.403 31.595 -4.528 416 HH12 ARG 55 2HH1 ARG 55 8.268 33.329 -4.662 417 HH21 ARG 55 1HH2 ARG 55 11.120 33.708 -6.672 418 HH22 ARG 55 2HH2 ARG 55 9.817 34.523 -5.855 419 H ARG 56 HN ARG 56 10.756 25.742 -8.834 420 HA ARG 56 HA ARG 56 8.639 27.497 -9.858 421 HB2 ARG 56 2HB ARG 56 9.960 25.102 -11.160 422 HB3 ARG 56 1HB ARG 56 8.706 26.096 -11.889 423 HG2 ARG 56 2HG ARG 56 10.263 28.041 -11.706 424 HG3 ARG 56 1HG ARG 56 11.515 26.906 -11.196 425 HD2 ARG 56 2HD ARG 56 10.011 26.860 -13.809 426 HD3 ARG 56 1HD ARG 56 11.684 27.362 -13.582 427 HE ARG 56 HE ARG 56 10.779 24.601 -13.046 428 HH11 ARG 56 1HH1 ARG 56 12.982 26.866 -14.543 429 HH12 ARG 56 2HH1 ARG 56 14.061 25.632 -15.123 430 HH21 ARG 56 1HH2 ARG 56 12.165 22.971 -13.837 431 HH22 ARG 56 2HH2 ARG 56 13.587 23.418 -14.725 432 H TYR 57 HN TYR 57 6.678 26.406 -10.595 433 HA TYR 57 HA TYR 57 4.765 25.367 -10.113 434 HB2 TYR 57 2HB TYR 57 4.804 22.899 -10.063 435 HB3 TYR 57 1HB TYR 57 5.730 23.591 -11.384 436 HD1 TYR 57 2HD TYR 57 6.066 22.021 -8.031 437 HD2 TYR 57 1HD TYR 57 7.983 23.001 -11.701 438 HE1 TYR 57 2HE TYR 57 7.998 20.650 -7.382 439 HE2 TYR 57 1HE TYR 57 9.922 21.630 -11.058 440 HH TYR 57 HH TYR 57 9.849 19.449 -8.470 441 H GLU 58 HN GLU 58 3.446 24.049 -8.619 442 HA GLU 58 HA GLU 58 4.439 24.334 -5.859 443 HB2 GLU 58 2HB GLU 58 1.583 24.474 -6.853 444 HB3 GLU 58 1HB GLU 58 2.063 24.523 -5.165 445 HG2 GLU 58 2HG GLU 58 1.661 26.739 -5.719 446 HG3 GLU 58 1HG GLU 58 3.414 26.590 -5.782 447 H LEU 59 HN LEU 59 3.860 22.165 -8.210 448 HA LEU 59 HA LEU 59 2.562 20.101 -6.687 449 HB2 LEU 59 2HB LEU 59 2.586 20.490 -9.268 450 HB3 LEU 59 1HB LEU 59 4.114 19.637 -9.219 451 HG LEU 59 HG LEU 59 1.514 18.478 -8.206 452 HD11 LEU 59 1HD1 LEU 59 1.498 17.170 -10.282 453 HD12 LEU 59 2HD1 LEU 59 2.883 18.093 -10.866 454 HD13 LEU 59 3HD1 LEU 59 1.339 18.900 -10.588 455 HD21 LEU 59 3HD2 LEU 59 2.691 16.352 -8.310 456 HD22 LEU 59 1HD2 LEU 59 3.528 17.472 -7.238 457 HD23 LEU 59 2HD2 LEU 59 4.154 17.170 -8.859 458 H THR 60 HN THR 60 3.904 19.966 -4.871 459 HA THR 60 HA THR 60 6.632 19.001 -5.282 460 HB THR 60 HB THR 60 6.748 19.309 -2.748 461 HG1 THR 60 1HG THR 60 5.105 20.629 -1.855 462 HG21 THR 60 3HG2 THR 60 6.181 21.718 -4.486 463 HG22 THR 60 1HG2 THR 60 7.740 20.911 -4.299 464 HG23 THR 60 2HG2 THR 60 7.013 21.751 -2.931 465 H ALA 61 HN ALA 61 4.358 18.307 -2.689 466 HA ALA 61 HA ALA 61 3.393 16.428 -1.894 467 HB1 ALA 61 1HB ALA 61 2.983 14.534 -3.332 468 HB2 ALA 61 2HB ALA 61 4.170 15.124 -4.496 469 HB3 ALA 61 3HB ALA 61 2.684 16.032 -4.215 470 H ASP 62 HN ASP 62 3.861 14.428 -0.914 471 HA ASP 62 HA ASP 62 6.694 13.780 -0.662 472 HB2 ASP 62 2HB ASP 62 5.673 12.107 1.094 473 HB3 ASP 62 1HB ASP 62 5.793 13.816 1.486 474 H ASP 63 HN ASP 63 3.870 11.654 -0.613 475 HA ASP 63 HA ASP 63 4.567 10.548 -3.213 476 HB2 ASP 63 2HB ASP 63 5.812 9.132 -1.568 477 HB3 ASP 63 1HB ASP 63 4.275 8.731 -0.805 478 H TYR 64 HN TYR 64 2.411 10.995 -0.530 479 HA TYR 64 HA TYR 64 0.252 9.420 -1.298 480 HB2 TYR 64 2HB TYR 64 0.323 10.484 0.888 481 HB3 TYR 64 1HB TYR 64 0.227 12.079 0.147 482 HD1 TYR 64 2HD TYR 64 -1.658 8.914 0.629 483 HD2 TYR 64 1HD TYR 64 -1.864 13.051 -0.361 484 HE1 TYR 64 2HE TYR 64 -4.113 8.808 0.709 485 HE2 TYR 64 1HE TYR 64 -4.319 12.951 -0.289 486 HH TYR 64 HH TYR 64 -6.092 11.214 -0.555 487 H ARG 65 HN ARG 65 0.865 12.847 -2.095 488 HA ARG 65 HA ARG 65 -1.487 13.205 -3.569 489 HB2 ARG 65 2HB ARG 65 1.148 14.648 -3.584 490 HB3 ARG 65 1HB ARG 65 -0.164 15.114 -4.650 491 HG2 ARG 65 2HG ARG 65 -1.587 15.284 -2.528 492 HG3 ARG 65 1HG ARG 65 -0.050 15.223 -1.660 493 HD2 ARG 65 2HD ARG 65 -0.846 17.534 -2.078 494 HD3 ARG 65 1HD ARG 65 0.730 17.195 -2.793 495 HE ARG 65 HE ARG 65 -0.168 17.577 -4.856 496 HH11 ARG 65 1HH1 ARG 65 -2.797 17.137 -2.586 497 HH12 ARG 65 2HH1 ARG 65 -4.031 17.334 -3.789 498 HH21 ARG 65 1HH2 ARG 65 -1.766 17.910 -6.417 499 HH22 ARG 65 2HH2 ARG 65 -3.449 17.767 -5.988 500 H ALA 66 HN ALA 66 1.690 12.055 -4.543 501 HA ALA 66 HA ALA 66 1.146 12.026 -7.332 502 HB1 ALA 66 1HB ALA 66 3.430 11.993 -6.444 503 HB2 ALA 66 2HB ALA 66 3.135 10.622 -7.513 504 HB3 ALA 66 3HB ALA 66 3.143 10.392 -5.765 505 H ALA 67 HN ALA 67 0.965 9.555 -4.793 506 HA ALA 67 HA ALA 67 0.019 7.466 -6.441 507 HB1 ALA 67 1HB ALA 67 0.910 7.042 -4.218 508 HB2 ALA 67 2HB ALA 67 -0.738 6.425 -4.345 509 HB3 ALA 67 3HB ALA 67 -0.426 7.937 -3.493 510 H ASP 68 HN ASP 68 -1.585 10.004 -4.615 511 HA ASP 68 HA ASP 68 -4.248 9.201 -4.966 512 HB2 ASP 68 2HB ASP 68 -3.504 10.932 -3.363 513 HB3 ASP 68 1HB ASP 68 -3.126 12.002 -4.704 514 H ALA 69 HN ALA 69 -2.199 11.380 -6.890 515 HA ALA 69 HA ALA 69 -4.119 12.054 -8.823 516 HB1 ALA 69 1HB ALA 69 -2.005 13.264 -8.540 517 HB2 ALA 69 2HB ALA 69 -2.236 12.747 -10.211 518 HB3 ALA 69 3HB ALA 69 -1.124 11.868 -9.162 519 H ALA 70 HN ALA 70 -1.559 9.577 -8.928 520 HA ALA 70 HA ALA 70 -2.271 8.475 -11.412 521 HB1 ALA 70 1HB ALA 70 -0.955 7.059 -9.094 522 HB2 ALA 70 2HB ALA 70 -0.119 8.074 -10.269 523 HB3 ALA 70 3HB ALA 70 -0.901 6.581 -10.791 524 H ALA 71 HN ALA 71 -3.461 7.880 -8.168 525 HA ALA 71 HA ALA 71 -4.978 5.569 -8.720 526 HB1 ALA 71 1HB ALA 71 -4.467 6.315 -6.434 527 HB2 ALA 71 2HB ALA 71 -6.198 6.083 -6.678 528 HB3 ALA 71 3HB ALA 71 -5.522 7.712 -6.660 529 H GLN 72 HN GLN 72 -5.912 9.011 -8.629 530 HA GLN 72 HA GLN 72 -8.567 8.643 -9.466 531 HB2 GLN 72 2HB GLN 72 -6.807 10.860 -8.993 532 HB3 GLN 72 1HB GLN 72 -7.674 11.121 -10.502 533 HG2 GLN 72 2HG GLN 72 -8.908 12.117 -8.715 534 HG3 GLN 72 1HG GLN 72 -9.796 10.717 -9.312 535 HE21 GLN 72 1HE2 GLN 72 -6.986 10.561 -7.216 536 HE22 GLN 72 2HE2 GLN 72 -7.826 9.944 -5.828 537 H GLU 73 HN GLU 73 -5.584 9.053 -11.280 538 HA GLU 73 HA GLU 73 -6.624 9.267 -13.858 539 HB2 GLU 73 2HB GLU 73 -4.057 8.033 -12.849 540 HB3 GLU 73 1HB GLU 73 -4.398 8.324 -14.542 541 HG2 GLU 73 2HG GLU 73 -4.602 10.708 -14.103 542 HG3 GLU 73 1HG GLU 73 -4.275 10.421 -12.398 543 H GLN 74 HN GLN 74 -5.950 6.462 -11.881 544 HA GLN 74 HA GLN 74 -6.753 4.641 -14.003 545 HB2 GLN 74 2HB GLN 74 -5.592 4.253 -11.257 546 HB3 GLN 74 1HB GLN 74 -6.119 2.911 -12.258 547 HG2 GLN 74 2HG GLN 74 -4.486 3.373 -13.903 548 HG3 GLN 74 1HG GLN 74 -4.110 4.938 -13.187 549 HE21 GLN 74 1HE2 GLN 74 -4.064 4.002 -10.476 550 HE22 GLN 74 2HE2 GLN 74 -2.634 3.059 -10.294 551 H GLY 75 HN GLY 75 -8.353 6.371 -11.664 552 HA2 GLY 75 2HA GLY 75 -10.605 6.255 -11.089 553 HA3 GLY 75 1HA GLY 75 -10.704 4.707 -11.915 554 H LEU 76 HN LEU 76 -8.237 5.213 -9.569 555 HA LEU 76 HA LEU 76 -9.636 3.419 -7.688 556 HB2 LEU 76 2HB LEU 76 -6.672 3.760 -8.176 557 HB3 LEU 76 1HB LEU 76 -7.380 2.714 -6.962 558 HG LEU 76 HG LEU 76 -7.762 2.390 -9.941 559 HD11 LEU 76 1HD1 LEU 76 -5.449 1.968 -9.289 560 HD12 LEU 76 2HD1 LEU 76 -6.268 0.465 -9.717 561 HD13 LEU 76 3HD1 LEU 76 -5.997 0.871 -8.022 562 HD21 LEU 76 3HD2 LEU 76 -9.623 1.529 -8.604 563 HD22 LEU 76 1HD2 LEU 76 -8.492 0.591 -7.631 564 HD23 LEU 76 2HD2 LEU 76 -8.700 0.218 -9.342 565 H ASP 77 HN ASP 77 -8.631 3.669 -5.405 566 HA ASP 77 HA ASP 77 -7.809 6.420 -4.859 567 HB2 ASP 77 2HB ASP 77 -9.317 6.637 -2.989 568 HB3 ASP 77 1HB ASP 77 -10.259 6.251 -4.419 569 H VAL 78 HN VAL 78 -7.457 6.330 -2.199 570 HA VAL 78 HA VAL 78 -5.339 4.319 -1.969 571 HB VAL 78 HB VAL 78 -5.791 6.784 -0.277 572 HG11 VAL 78 1HG1 VAL 78 -3.424 4.925 -0.486 573 HG12 VAL 78 2HG1 VAL 78 -4.520 5.076 0.887 574 HG13 VAL 78 3HG1 VAL 78 -3.469 6.422 0.448 575 HG21 VAL 78 3HG2 VAL 78 -3.868 6.362 -2.562 576 HG22 VAL 78 1HG2 VAL 78 -3.964 7.795 -1.538 577 HG23 VAL 78 2HG2 VAL 78 -5.309 7.377 -2.599 578 H VAL 79 HN VAL 79 -5.990 2.511 -0.998 579 HA VAL 79 HA VAL 79 -8.132 2.630 0.981 580 HB VAL 79 HB VAL 79 -8.139 0.150 0.822 581 HG11 VAL 79 1HG1 VAL 79 -8.351 1.597 -1.814 582 HG12 VAL 79 2HG1 VAL 79 -9.608 1.501 -0.580 583 HG13 VAL 79 3HG1 VAL 79 -9.087 0.043 -1.426 584 HG21 VAL 79 3HG2 VAL 79 -5.823 -0.247 0.242 585 HG22 VAL 79 1HG2 VAL 79 -6.027 0.616 -1.282 586 HG23 VAL 79 2HG2 VAL 79 -6.869 -0.911 -1.015 587 H GLY 80 HN GLY 80 -4.754 2.494 0.929 588 HA2 GLY 80 2HA GLY 80 -4.549 2.405 3.728 589 HA3 GLY 80 1HA GLY 80 -4.208 0.804 3.090 590 H VAL 81 HN VAL 81 -2.184 1.483 4.296 591 HA VAL 81 HA VAL 81 -0.276 2.551 2.329 592 HB VAL 81 HB VAL 81 0.052 3.196 5.246 593 HG11 VAL 81 1HG1 VAL 81 1.451 5.018 4.388 594 HG12 VAL 81 2HG1 VAL 81 1.127 4.467 2.743 595 HG13 VAL 81 3HG1 VAL 81 2.007 3.428 3.864 596 HG21 VAL 81 3HG2 VAL 81 -0.890 5.436 4.857 597 HG22 VAL 81 1HG2 VAL 81 -2.097 4.163 4.672 598 HG23 VAL 81 2HG2 VAL 81 -1.395 4.927 3.246 599 H TYR 82 HN TYR 82 1.892 1.716 2.666 600 HA TYR 82 HA TYR 82 1.979 -0.486 4.596 601 HB2 TYR 82 2HB TYR 82 2.995 -2.003 3.116 602 HB3 TYR 82 1HB TYR 82 1.670 -1.301 2.204 603 HD1 TYR 82 1HD TYR 82 2.178 0.383 0.413 604 HD2 TYR 82 2HD TYR 82 5.229 -1.814 2.398 605 HE1 TYR 82 1HE TYR 82 3.740 0.908 -1.415 606 HE2 TYR 82 2HE TYR 82 6.799 -1.292 0.582 607 HH TYR 82 HH TYR 82 6.247 1.085 -1.698 608 H HIS 83 HN HIS 83 3.807 -0.714 5.741 609 HA HIS 83 HA HIS 83 5.798 1.432 5.388 610 HB2 HIS 83 2HB HIS 83 4.952 0.013 7.935 611 HB3 HIS 83 1HB HIS 83 6.226 1.221 7.833 612 HD1 HIS 83 1HD HIS 83 4.104 1.898 9.783 613 HD2 HIS 83 2HD HIS 83 3.739 2.840 5.734 614 HE1 HIS 83 1HE HIS 83 2.409 3.749 9.657 615 HE2 HIS 83 2HE HIS 83 2.322 4.411 7.230 616 H SER 84 HN SER 84 7.973 0.913 5.529 617 HA SER 84 HA SER 84 8.550 -1.955 5.290 618 HB2 SER 84 2HB SER 84 10.278 0.373 4.415 619 HB3 SER 84 1HB SER 84 10.488 -1.326 3.996 620 HG SER 84 HG SER 84 8.429 -1.180 2.918 621 H HIS 85 HN HIS 85 9.692 -2.924 6.836 622 HA HIS 85 HA HIS 85 11.127 -1.229 8.778 623 HB2 HIS 85 2HB HIS 85 9.452 -3.691 9.167 624 HB3 HIS 85 1HB HIS 85 10.724 -3.300 10.315 625 HD1 HIS 85 1HD HIS 85 8.598 -3.163 11.985 626 HD2 HIS 85 2HD HIS 85 8.954 -0.133 9.149 627 HE1 HIS 85 1HE HIS 85 7.122 -1.289 12.795 628 HE2 HIS 85 2HE HIS 85 7.314 0.523 11.047 629 HA PRO 86 HA PRO 86 14.707 -3.832 8.015 630 HB2 PRO 86 2HB PRO 86 15.596 -3.273 10.731 631 HB3 PRO 86 1HB PRO 86 16.284 -2.716 9.204 632 HG2 PRO 86 2HG PRO 86 15.037 -1.057 10.952 633 HG3 PRO 86 1HG PRO 86 15.043 -0.788 9.200 634 HD2 PRO 86 2HD PRO 86 12.897 -1.968 10.927 635 HD3 PRO 86 1HD PRO 86 12.754 -0.812 9.583 636 H ASP 87 HN ASP 87 16.043 -5.301 9.924 637 HA ASP 87 HA ASP 87 14.659 -7.656 10.233 638 HB2 ASP 87 2HB ASP 87 16.997 -7.690 10.582 639 HB3 ASP 87 1HB ASP 87 16.908 -6.472 11.850 640 H HIS 88 HN HIS 88 14.597 -4.860 12.340 641 HA HIS 88 HA HIS 88 13.428 -5.909 14.620 642 HB2 HIS 88 2HB HIS 88 13.429 -3.220 13.339 643 HB3 HIS 88 1HB HIS 88 12.277 -3.509 14.640 644 HD1 HIS 88 1HD HIS 88 16.023 -3.661 14.007 645 HD2 HIS 88 2HD HIS 88 13.315 -3.349 17.147 646 HE1 HIS 88 1HE HIS 88 17.411 -3.255 16.066 647 HE2 HIS 88 2HE HIS 88 15.762 -3.252 17.970 648 HA PRO 89 HA PRO 89 9.465 -7.576 14.241 649 HB2 PRO 89 2HB PRO 89 8.560 -5.158 15.769 650 HB3 PRO 89 1HB PRO 89 8.105 -6.853 15.987 651 HG2 PRO 89 2HG PRO 89 9.945 -5.736 17.551 652 HG3 PRO 89 1HG PRO 89 10.128 -7.406 16.982 653 HD2 PRO 89 2HD PRO 89 11.607 -4.974 16.191 654 HD3 PRO 89 1HD PRO 89 12.096 -6.675 16.094 655 H ALA 90 HN ALA 90 7.698 -7.579 12.984 656 HA ALA 90 HA ALA 90 7.402 -5.408 11.076 657 HB1 ALA 90 1HB ALA 90 5.961 -6.939 9.850 658 HB2 ALA 90 2HB ALA 90 6.001 -8.081 11.192 659 HB3 ALA 90 3HB ALA 90 7.472 -7.738 10.282 660 H ARG 91 HN ARG 91 6.338 -5.808 14.040 661 HA ARG 91 HA ARG 91 3.611 -4.898 13.543 662 HB2 ARG 91 2HB ARG 91 3.352 -5.056 16.019 663 HB3 ARG 91 1HB ARG 91 3.797 -6.577 15.264 664 HG2 ARG 91 2HG ARG 91 5.209 -6.643 17.023 665 HG3 ARG 91 1HG ARG 91 6.233 -5.740 15.909 666 HD2 ARG 91 2HD ARG 91 6.247 -4.686 18.091 667 HD3 ARG 91 1HD ARG 91 5.446 -3.638 16.921 668 HE ARG 91 HE ARG 91 3.434 -5.113 18.074 669 HH11 ARG 91 1HH1 ARG 91 5.916 -2.937 19.247 670 HH12 ARG 91 2HH1 ARG 91 4.964 -2.352 20.573 671 HH21 ARG 91 1HH2 ARG 91 2.164 -4.337 19.798 672 HH22 ARG 91 2HH2 ARG 91 2.817 -3.152 20.885 673 HA PRO 92 HA PRO 92 4.533 -0.638 13.767 674 HB2 PRO 92 2HB PRO 92 2.438 0.272 15.332 675 HB3 PRO 92 1HB PRO 92 2.342 -0.049 13.599 676 HG2 PRO 92 2HG PRO 92 1.510 -1.769 15.895 677 HG3 PRO 92 1HG PRO 92 0.704 -1.509 14.337 678 HD2 PRO 92 2HD PRO 92 2.112 -3.735 14.824 679 HD3 PRO 92 1HD PRO 92 2.120 -2.969 13.220 680 H SER 93 HN SER 93 6.128 0.233 14.900 681 HA SER 93 HA SER 93 6.338 -0.233 17.757 682 HB2 SER 93 2HB SER 93 8.328 -0.379 16.182 683 HB3 SER 93 1HB SER 93 8.223 1.374 16.016 684 HG SER 93 HG SER 93 9.684 0.943 17.642 685 H ALA 94 HN ALA 94 7.452 2.047 18.728 686 HA ALA 94 HA ALA 94 5.159 3.490 19.396 687 HB1 ALA 94 1HB ALA 94 6.642 5.002 20.585 688 HB2 ALA 94 2HB ALA 94 8.028 4.359 19.706 689 HB3 ALA 94 3HB ALA 94 7.138 3.328 20.827 690 H THR 95 HN THR 95 7.825 4.443 17.215 691 HA THR 95 HA THR 95 6.638 6.989 16.635 692 HB THR 95 HB THR 95 8.718 5.642 14.919 693 HG1 THR 95 1HG THR 95 9.265 7.123 17.299 694 HG21 THR 95 3HG2 THR 95 8.260 8.521 15.719 695 HG22 THR 95 1HG2 THR 95 7.841 7.808 14.163 696 HG23 THR 95 2HG2 THR 95 9.534 7.940 14.645 697 H ASP 96 HN ASP 96 6.641 3.820 15.159 698 HA ASP 96 HA ASP 96 5.561 4.496 12.641 699 HB2 ASP 96 2HB ASP 96 6.552 2.229 13.622 700 HB3 ASP 96 1HB ASP 96 4.858 1.898 13.960 701 H LEU 97 HN LEU 97 4.128 3.645 15.735 702 HA LEU 97 HA LEU 97 1.410 3.770 14.926 703 HB2 LEU 97 2HB LEU 97 2.354 2.622 16.963 704 HB3 LEU 97 1HB LEU 97 2.556 4.200 17.691 705 HG LEU 97 HG LEU 97 -0.146 3.233 16.788 706 HD11 LEU 97 1HD1 LEU 97 0.758 1.532 18.279 707 HD12 LEU 97 2HD1 LEU 97 -0.537 2.437 19.064 708 HD13 LEU 97 3HD1 LEU 97 1.146 2.772 19.472 709 HD21 LEU 97 3HD2 LEU 97 0.723 5.194 18.912 710 HD22 LEU 97 1HD2 LEU 97 -0.943 4.781 18.501 711 HD23 LEU 97 2HD2 LEU 97 0.075 5.613 17.326 712 H GLU 98 HN GLU 98 3.701 6.126 16.195 713 HA GLU 98 HA GLU 98 1.896 8.170 16.826 714 HB2 GLU 98 2HB GLU 98 4.806 8.201 16.088 715 HB3 GLU 98 1HB GLU 98 3.932 9.687 16.424 716 HG2 GLU 98 2HG GLU 98 3.318 8.744 18.642 717 HG3 GLU 98 1HG GLU 98 4.367 7.371 18.288 718 H GLU 99 HN GLU 99 3.303 7.261 13.739 719 HA GLU 99 HA GLU 99 2.317 9.691 12.499 720 HB2 GLU 99 2HB GLU 99 3.774 7.322 11.327 721 HB3 GLU 99 1HB GLU 99 3.281 8.739 10.407 722 HG2 GLU 99 2HG GLU 99 4.610 10.089 12.117 723 HG3 GLU 99 1HG GLU 99 5.313 8.547 12.600 724 H ALA 100 HN ALA 100 1.006 6.733 13.295 725 HA ALA 100 HA ALA 100 -0.826 6.587 11.055 726 HB1 ALA 100 1HB ALA 100 -0.119 4.524 12.171 727 HB2 ALA 100 2HB ALA 100 -1.867 4.740 12.266 728 HB3 ALA 100 3HB ALA 100 -0.857 5.080 13.672 729 H THR 101 HN THR 101 -1.564 8.775 11.276 730 HA THR 101 HA THR 101 -3.173 9.375 13.642 731 HB THR 101 HB THR 101 -1.417 10.972 12.768 732 HG1 THR 101 1HG THR 101 -2.553 12.509 13.689 733 HG21 THR 101 3HG2 THR 101 -2.028 12.440 10.908 734 HG22 THR 101 1HG2 THR 101 -3.467 11.463 10.611 735 HG23 THR 101 2HG2 THR 101 -1.863 10.766 10.380 736 H PHE 102 HN PHE 102 -3.532 8.257 10.511 737 HA PHE 102 HA PHE 102 -6.308 9.205 10.370 738 HB2 PHE 102 2HB PHE 102 -6.104 8.904 7.872 739 HB3 PHE 102 1HB PHE 102 -5.159 10.215 8.561 740 HD1 PHE 102 2HD PHE 102 -2.655 9.692 9.051 741 HD2 PHE 102 1HD PHE 102 -5.101 7.370 6.456 742 HE1 PHE 102 2HE PHE 102 -0.641 8.807 7.955 743 HE2 PHE 102 1HE PHE 102 -3.088 6.487 5.346 744 HZ PHE 102 HZ PHE 102 -0.853 7.203 6.099 745 HA PRO 103 HA PRO 103 -6.702 4.664 10.962 746 HB2 PRO 103 2HB PRO 103 -9.326 5.480 12.005 747 HB3 PRO 103 1HB PRO 103 -8.067 4.508 12.772 748 HG2 PRO 103 2HG PRO 103 -8.604 7.015 13.577 749 HG3 PRO 103 1HG PRO 103 -6.959 6.354 13.601 750 HD2 PRO 103 2HD PRO 103 -8.227 8.214 11.626 751 HD3 PRO 103 1HD PRO 103 -6.590 8.248 12.314 752 H GLY 104 HN GLY 104 -8.588 3.208 10.323 753 HA2 GLY 104 2HA GLY 104 -10.423 2.744 8.896 754 HA3 GLY 104 1HA GLY 104 -10.214 4.324 8.153 755 H PHE 105 HN PHE 105 -7.414 4.118 7.744 756 HA PHE 105 HA PHE 105 -7.319 2.567 5.342 757 HB2 PHE 105 2HB PHE 105 -5.253 4.173 6.854 758 HB3 PHE 105 1HB PHE 105 -4.865 3.279 5.390 759 HD1 PHE 105 1HD PHE 105 -7.194 5.897 6.668 760 HD2 PHE 105 2HD PHE 105 -5.084 4.300 3.338 761 HE1 PHE 105 1HE PHE 105 -7.882 7.830 5.308 762 HE2 PHE 105 2HE PHE 105 -5.771 6.227 1.976 763 HZ PHE 105 HZ PHE 105 -7.168 7.994 2.957 764 H THR 106 HN THR 106 -6.019 0.754 4.926 765 HA THR 106 HA THR 106 -5.499 -0.894 7.273 766 HB THR 106 HB THR 106 -5.290 -1.632 4.342 767 HG1 THR 106 1HG THR 106 -7.415 -2.492 5.965 768 HG21 THR 106 3HG2 THR 106 -5.433 -3.937 5.153 769 HG22 THR 106 1HG2 THR 106 -5.498 -3.355 6.818 770 HG23 THR 106 2HG2 THR 106 -4.042 -3.113 5.856 771 H TYR 107 HN TYR 107 -3.513 -1.104 8.100 772 HA TYR 107 HA TYR 107 -1.275 0.028 6.580 773 HB2 TYR 107 2HB TYR 107 -1.538 -0.581 9.526 774 HB3 TYR 107 1HB TYR 107 -0.102 0.093 8.764 775 HD1 TYR 107 2HD TYR 107 -0.568 2.311 7.353 776 HD2 TYR 107 1HD TYR 107 -3.024 0.870 10.514 777 HE1 TYR 107 2HE TYR 107 -1.452 4.580 7.695 778 HE2 TYR 107 1HE TYR 107 -3.915 3.133 10.859 779 HH TYR 107 HH TYR 107 -3.687 5.550 8.693 780 H VAL 108 HN VAL 108 -0.076 -1.378 5.524 781 HA VAL 108 HA VAL 108 0.299 -4.066 6.660 782 HB VAL 108 HB VAL 108 0.895 -3.069 3.862 783 HG11 VAL 108 1HG1 VAL 108 1.182 -5.431 3.289 784 HG12 VAL 108 2HG1 VAL 108 0.956 -5.872 4.981 785 HG13 VAL 108 3HG1 VAL 108 2.361 -4.921 4.495 786 HG21 VAL 108 3HG2 VAL 108 -1.015 -4.440 3.191 787 HG22 VAL 108 1HG2 VAL 108 -1.486 -3.133 4.277 788 HG23 VAL 108 2HG2 VAL 108 -1.355 -4.784 4.886 789 H ILE 109 HN ILE 109 2.217 -4.612 7.510 790 HA ILE 109 HA ILE 109 4.499 -2.844 6.930 791 HB ILE 109 HB ILE 109 3.898 -4.131 9.600 792 HG12 ILE 109 2HG1 ILE 109 3.707 -1.232 8.741 793 HG13 ILE 109 1HG1 ILE 109 2.340 -2.288 9.067 794 HG21 ILE 109 1HG2 ILE 109 6.278 -3.900 9.180 795 HG22 ILE 109 2HG2 ILE 109 5.766 -2.731 10.398 796 HG23 ILE 109 3HG2 ILE 109 6.062 -2.206 8.739 797 HD11 ILE 109 3HD1 ILE 109 2.774 -0.783 10.923 798 HD12 ILE 109 1HD1 ILE 109 4.410 -1.425 11.070 799 HD13 ILE 109 2HD1 ILE 109 3.021 -2.465 11.395 800 H VAL 110 HN VAL 110 6.325 -3.833 6.321 801 HA VAL 110 HA VAL 110 6.525 -6.744 6.709 802 HB VAL 110 HB VAL 110 5.891 -6.382 4.405 803 HG11 VAL 110 1HG1 VAL 110 7.312 -5.101 2.853 804 HG12 VAL 110 2HG1 VAL 110 8.268 -4.539 4.225 805 HG13 VAL 110 3HG1 VAL 110 6.568 -4.092 4.093 806 HG21 VAL 110 3HG2 VAL 110 8.824 -7.064 4.611 807 HG22 VAL 110 1HG2 VAL 110 7.758 -7.474 3.267 808 HG23 VAL 110 2HG2 VAL 110 7.479 -8.177 4.860 809 H SER 111 HN SER 111 8.308 -7.388 7.637 810 HA SER 111 HA SER 111 10.512 -5.563 8.050 811 HB2 SER 111 2HB SER 111 9.858 -8.328 9.052 812 HB3 SER 111 1HB SER 111 11.381 -7.521 9.415 813 HG SER 111 HG SER 111 10.389 -6.244 10.781 814 H VAL 112 HN VAL 112 11.980 -5.384 6.516 815 HA VAL 112 HA VAL 112 12.677 -7.770 4.934 816 HB VAL 112 HB VAL 112 13.246 -4.870 4.276 817 HG11 VAL 112 1HG1 VAL 112 13.496 -7.378 2.620 818 HG12 VAL 112 2HG1 VAL 112 14.820 -6.389 3.236 819 HG13 VAL 112 3HG1 VAL 112 13.720 -5.735 2.022 820 HG21 VAL 112 3HG2 VAL 112 11.069 -6.672 3.207 821 HG22 VAL 112 1HG2 VAL 112 11.454 -5.058 2.608 822 HG23 VAL 112 2HG2 VAL 112 10.840 -5.266 4.248 823 H ARG 113 HN ARG 113 14.482 -8.744 5.548 824 HA ARG 113 HA ARG 113 16.408 -7.244 7.159 825 HB2 ARG 113 2HB ARG 113 15.624 -9.380 8.065 826 HB3 ARG 113 1HB ARG 113 16.176 -10.213 6.618 827 HG2 ARG 113 2HG ARG 113 18.486 -9.575 7.152 828 HG3 ARG 113 1HG ARG 113 17.913 -8.792 8.625 829 HD2 ARG 113 2HD ARG 113 17.485 -11.704 7.991 830 HD3 ARG 113 1HD ARG 113 18.835 -11.095 8.944 831 HE ARG 113 HE ARG 113 16.797 -10.081 10.306 832 HH11 ARG 113 1HH1 ARG 113 17.208 -13.291 8.966 833 HH12 ARG 113 2HH1 ARG 113 16.282 -14.067 10.217 834 HH21 ARG 113 1HH2 ARG 113 15.602 -11.076 11.941 835 HH22 ARG 113 2HH2 ARG 113 15.332 -12.802 11.898 836 H ASP 114 HN ASP 114 17.452 -6.041 5.639 837 HA ASP 114 HA ASP 114 19.012 -5.517 4.072 838 HB2 ASP 114 2HB ASP 114 20.345 -6.871 5.713 839 HB3 ASP 114 1HB ASP 114 20.113 -8.264 4.665 840 H GLY 115 HN GLY 115 16.722 -6.305 2.903 841 HA2 GLY 115 2HA GLY 115 16.238 -6.562 0.612 842 HA3 GLY 115 1HA GLY 115 17.753 -7.428 0.415 843 H ALA 116 HN ALA 116 16.377 -8.744 3.085 844 HA ALA 116 HA ALA 116 14.911 -10.743 1.495 845 HB1 ALA 116 1HB ALA 116 16.422 -11.191 4.065 846 HB2 ALA 116 2HB ALA 116 16.975 -11.637 2.451 847 HB3 ALA 116 3HB ALA 116 15.550 -12.415 3.138 848 HA PRO 117 HA PRO 117 11.602 -9.024 4.108 849 HB2 PRO 117 2HB PRO 117 9.879 -10.353 2.139 850 HB3 PRO 117 1HB PRO 117 9.962 -8.645 2.578 851 HG2 PRO 117 2HG PRO 117 10.835 -9.554 0.194 852 HG3 PRO 117 1HG PRO 117 11.600 -8.187 1.026 853 HD2 PRO 117 2HD PRO 117 12.482 -11.048 0.878 854 HD3 PRO 117 1HD PRO 117 13.451 -9.563 0.744 855 H GLU 118 HN GLU 118 11.214 -10.162 5.898 856 HA GLU 118 HA GLU 118 10.891 -13.066 5.666 857 HB2 GLU 118 2HB GLU 118 12.650 -12.211 7.196 858 HB3 GLU 118 1HB GLU 118 11.408 -11.399 8.137 859 HG2 GLU 118 2HG GLU 118 10.411 -13.515 8.730 860 HG3 GLU 118 1HG GLU 118 11.554 -14.372 7.700 861 H ALA 119 HN ALA 119 9.602 -10.586 7.866 862 HA ALA 119 HA ALA 119 7.072 -12.067 7.916 863 HB1 ALA 119 1HB ALA 119 8.130 -10.000 9.847 864 HB2 ALA 119 2HB ALA 119 8.167 -11.747 10.080 865 HB3 ALA 119 3HB ALA 119 6.622 -10.898 10.021 866 H LEU 120 HN LEU 120 5.438 -11.307 6.827 867 HA LEU 120 HA LEU 120 5.200 -8.397 6.432 868 HB2 LEU 120 2HB LEU 120 5.681 -9.718 4.334 869 HB3 LEU 120 1HB LEU 120 4.162 -10.553 4.577 870 HG LEU 120 HG LEU 120 4.228 -7.559 4.308 871 HD11 LEU 120 1HD1 LEU 120 3.854 -7.848 1.897 872 HD12 LEU 120 2HD1 LEU 120 4.153 -9.578 2.065 873 HD13 LEU 120 3HD1 LEU 120 5.447 -8.424 2.387 874 HD21 LEU 120 3HD2 LEU 120 2.160 -9.650 3.623 875 HD22 LEU 120 1HD2 LEU 120 1.966 -7.906 3.452 876 HD23 LEU 120 2HD2 LEU 120 2.147 -8.620 5.054 877 H THR 121 HN THR 121 3.456 -7.554 7.455 878 HA THR 121 HA THR 121 1.181 -9.342 7.981 879 HB THR 121 HB THR 121 2.173 -7.501 10.132 880 HG1 THR 121 1HG THR 121 3.503 -9.632 9.202 881 HG21 THR 121 3HG2 THR 121 0.603 -10.078 10.176 882 HG22 THR 121 1HG2 THR 121 -0.058 -8.450 10.378 883 HG23 THR 121 2HG2 THR 121 1.038 -9.115 11.586 884 H ALA 122 HN ALA 122 -0.783 -8.215 8.518 885 HA ALA 122 HA ALA 122 -0.799 -5.392 7.697 886 HB1 ALA 122 1HB ALA 122 -2.986 -5.745 6.665 887 HB2 ALA 122 2HB ALA 122 -2.937 -7.450 7.115 888 HB3 ALA 122 3HB ALA 122 -1.781 -6.814 5.946 889 H TRP 123 HN TRP 123 -2.051 -4.020 8.856 890 HA TRP 123 HA TRP 123 -3.245 -5.121 11.304 891 HB2 TRP 123 2HB TRP 123 -1.385 -2.744 11.152 892 HB3 TRP 123 1HB TRP 123 -2.145 -3.381 12.606 893 HD1 TRP 123 1HD TRP 123 0.733 -4.052 10.187 894 HE1 TRP 123 1HE TRP 123 2.288 -5.821 11.251 895 HE3 TRP 123 3HE TRP 123 -2.196 -5.425 14.139 896 HZ2 TRP 123 2HZ TRP 123 2.243 -7.592 13.468 897 HZ3 TRP 123 3HZ TRP 123 -1.400 -7.171 15.661 898 HH2 TRP 123 2HH TRP 123 0.783 -8.227 15.341 899 H ALA 124 HN ALA 124 -4.964 -4.039 12.126 900 HA ALA 124 HA ALA 124 -5.905 -1.711 10.596 901 HB1 ALA 124 1HB ALA 124 -7.437 -3.633 10.598 902 HB2 ALA 124 2HB ALA 124 -8.137 -2.234 11.413 903 HB3 ALA 124 3HB ALA 124 -7.492 -3.575 12.359 904 H LEU 125 HN LEU 125 -6.076 0.212 11.603 905 HA LEU 125 HA LEU 125 -5.186 0.378 14.363 906 HB2 LEU 125 2HB LEU 125 -4.236 1.939 12.760 907 HB3 LEU 125 1HB LEU 125 -5.836 2.512 12.329 908 HG LEU 125 HG LEU 125 -6.110 3.423 14.610 909 HD11 LEU 125 1HD1 LEU 125 -4.621 1.886 15.795 910 HD12 LEU 125 2HD1 LEU 125 -4.180 3.567 16.097 911 HD13 LEU 125 3HD1 LEU 125 -3.233 2.594 14.971 912 HD21 LEU 125 3HD2 LEU 125 -3.637 4.348 13.158 913 HD22 LEU 125 1HD2 LEU 125 -4.536 5.280 14.355 914 HD23 LEU 125 2HD2 LEU 125 -5.293 4.853 12.820 915 H ALA 126 HN ALA 126 -6.491 0.671 16.056 916 HA ALA 126 HA ALA 126 -9.293 0.585 15.876 917 HB1 ALA 126 1HB ALA 126 -9.285 1.141 18.262 918 HB2 ALA 126 2HB ALA 126 -7.581 1.584 18.158 919 HB3 ALA 126 3HB ALA 126 -8.076 -0.087 17.886 920 HA PRO 127 HA PRO 127 -10.477 4.646 14.684 921 HB2 PRO 127 2HB PRO 127 -12.682 4.989 16.332 922 HB3 PRO 127 1HB PRO 127 -12.692 4.151 14.778 923 HG2 PRO 127 2HG PRO 127 -12.525 3.023 17.540 924 HG3 PRO 127 1HG PRO 127 -13.417 2.418 16.131 925 HD2 PRO 127 2HD PRO 127 -11.116 1.295 16.904 926 HD3 PRO 127 1HD PRO 127 -11.517 1.473 15.183 927 H ASP 128 HN ASP 128 -10.175 3.943 18.103 928 HA ASP 128 HA ASP 128 -9.972 6.746 18.829 929 HB2 ASP 128 2HB ASP 128 -9.497 4.343 20.603 930 HB3 ASP 128 1HB ASP 128 -9.907 5.983 21.098 931 H ARG 129 HN ARG 129 -7.962 4.693 17.367 932 HA ARG 129 HA ARG 129 -5.729 4.358 17.153 933 HB2 ARG 129 2HB ARG 129 -5.895 6.890 16.865 934 HB3 ARG 129 1HB ARG 129 -5.357 7.019 18.535 935 HG2 ARG 129 2HG ARG 129 -3.348 5.640 17.856 936 HG3 ARG 129 1HG ARG 129 -3.853 5.907 16.186 937 HD2 ARG 129 2HD ARG 129 -3.247 8.069 18.198 938 HD3 ARG 129 1HD ARG 129 -2.144 7.515 16.943 939 HE ARG 129 HE ARG 129 -4.135 8.241 15.423 940 HH11 ARG 129 1HH1 ARG 129 -2.962 9.840 18.313 941 HH12 ARG 129 2HH1 ARG 129 -3.417 11.433 17.769 942 HH21 ARG 129 1HH2 ARG 129 -4.730 10.355 14.709 943 HH22 ARG 129 2HH2 ARG 129 -4.402 11.716 15.732 944 H SER 130 HN SER 130 -7.058 3.444 19.591 945 HA SER 130 HA SER 130 -5.346 3.823 21.817 946 HB2 SER 130 2HB SER 130 -7.707 3.040 22.011 947 HB3 SER 130 1HB SER 130 -7.229 1.505 21.287 948 HG SER 130 HG SER 130 -5.864 2.462 23.564 949 H GLU 131 HN GLU 131 -5.620 1.247 19.395 950 HA GLU 131 HA GLU 131 -2.819 0.742 19.475 951 HB2 GLU 131 2HB GLU 131 -2.893 -1.567 20.254 952 HB3 GLU 131 1HB GLU 131 -3.503 -0.495 21.505 953 HG2 GLU 131 2HG GLU 131 -5.796 -1.085 20.885 954 HG3 GLU 131 1HG GLU 131 -5.174 -2.170 19.642 955 H PHE 132 HN PHE 132 -2.504 -1.505 18.216 956 HA PHE 132 HA PHE 132 -4.272 -1.387 15.872 957 HB2 PHE 132 2HB PHE 132 -1.421 -2.337 16.197 958 HB3 PHE 132 1HB PHE 132 -2.377 -2.689 14.766 959 HD1 PHE 132 1HD PHE 132 -0.926 0.063 16.770 960 HD2 PHE 132 2HD PHE 132 -2.616 -1.121 13.049 961 HE1 PHE 132 1HE PHE 132 -0.239 2.207 15.780 962 HE2 PHE 132 2HE PHE 132 -1.933 1.021 12.052 963 HZ PHE 132 HZ PHE 132 -0.744 2.690 13.419 964 H HIS 133 HN HIS 133 -5.202 -3.261 15.086 965 HA HIS 133 HA HIS 133 -4.670 -5.675 16.632 966 HB2 HIS 133 2HB HIS 133 -7.026 -6.384 16.171 967 HB3 HIS 133 1HB HIS 133 -6.853 -5.078 17.319 968 HD1 HIS 133 1HD HIS 133 -8.957 -6.079 14.701 969 HD2 HIS 133 2HD HIS 133 -7.181 -2.470 15.745 970 HE1 HIS 133 1HE HIS 133 -10.349 -4.295 13.593 971 HE2 HIS 133 2HE HIS 133 -9.177 -2.126 14.118 972 H ARG 134 HN ARG 134 -4.341 -7.485 15.566 973 HA ARG 134 HA ARG 134 -3.358 -7.373 12.966 974 HB2 ARG 134 2HB ARG 134 -2.603 -9.111 14.396 975 HB3 ARG 134 1HB ARG 134 -4.239 -9.667 14.699 976 HG2 ARG 134 2HG ARG 134 -3.252 -11.238 13.253 977 HG3 ARG 134 1HG ARG 134 -4.374 -10.290 12.290 978 HD2 ARG 134 2HD ARG 134 -2.496 -8.933 11.473 979 HD3 ARG 134 1HD ARG 134 -1.388 -9.948 12.397 980 HE ARG 134 HE ARG 134 -2.850 -10.700 9.977 981 HH11 ARG 134 1HH1 ARG 134 -0.682 -11.631 12.574 982 HH12 ARG 134 2HH1 ARG 134 -0.111 -13.048 11.749 983 HH21 ARG 134 1HH2 ARG 134 -2.088 -12.580 8.888 984 HH22 ARG 134 2HH2 ARG 134 -0.893 -13.582 9.666 985 H GLU 135 HN GLU 135 -4.163 -7.746 11.021 986 HA GLU 135 HA GLU 135 -6.915 -8.742 10.796 987 HB2 GLU 135 2HB GLU 135 -6.821 -6.294 10.317 988 HB3 GLU 135 1HB GLU 135 -5.676 -6.617 9.025 989 HG2 GLU 135 2HG GLU 135 -7.367 -7.930 7.857 990 HG3 GLU 135 1HG GLU 135 -8.508 -7.632 9.167 991 H ASP 136 HN ASP 136 -7.287 -10.025 8.957 992 HA ASP 136 HA ASP 136 -4.835 -11.330 8.046 993 HB2 ASP 136 2HB ASP 136 -7.704 -12.241 8.138 994 HB3 ASP 136 1HB ASP 136 -6.487 -13.100 7.200 995 H ILE 137 HN ILE 137 -4.366 -11.676 5.914 996 HA ILE 137 HA ILE 137 -5.651 -9.879 4.033 997 HB ILE 137 HB ILE 137 -3.363 -11.817 3.566 998 HG12 ILE 137 2HG1 ILE 137 -2.071 -9.571 3.397 999 HG13 ILE 137 1HG1 ILE 137 -3.428 -8.891 4.286 1000 HG21 ILE 137 1HG2 ILE 137 -4.498 -9.624 1.844 1001 HG22 ILE 137 2HG2 ILE 137 -4.525 -11.356 1.518 1002 HG23 ILE 137 3HG2 ILE 137 -2.993 -10.483 1.515 1003 HD11 ILE 137 3HD1 ILE 137 -3.000 -10.446 6.119 1004 HD12 ILE 137 1HD1 ILE 137 -1.593 -9.444 5.766 1005 HD13 ILE 137 2HD1 ILE 137 -1.637 -11.122 5.225 1006 H VAL 138 HN VAL 138 -7.400 -10.494 2.994 1007 HA VAL 138 HA VAL 138 -7.802 -13.367 2.530 1008 HB VAL 138 HB VAL 138 -10.253 -12.757 2.311 1009 HG11 VAL 138 1HG1 VAL 138 -10.613 -12.696 4.738 1010 HG12 VAL 138 2HG1 VAL 138 -8.910 -12.298 4.978 1011 HG13 VAL 138 3HG1 VAL 138 -9.367 -13.859 4.291 1012 HG21 VAL 138 3HG2 VAL 138 -10.993 -10.685 3.363 1013 HG22 VAL 138 1HG2 VAL 138 -9.966 -10.355 1.969 1014 HG23 VAL 138 2HG2 VAL 138 -9.316 -10.194 3.602 1015 H ARG 139 HN ARG 139 -8.714 -14.021 0.563 1016 HA ARG 139 HA ARG 139 -7.764 -12.453 -1.673 1017 HB2 ARG 139 2HB ARG 139 -9.101 -15.168 -1.643 1018 HB3 ARG 139 1HB ARG 139 -8.140 -14.478 -2.940 1019 HG2 ARG 139 2HG ARG 139 -6.140 -14.641 -1.659 1020 HG3 ARG 139 1HG ARG 139 -7.041 -15.068 -0.206 1021 HD2 ARG 139 2HD ARG 139 -7.836 -17.114 -1.468 1022 HD3 ARG 139 1HD ARG 139 -6.621 -16.716 -2.684 1023 HE ARG 139 HE ARG 139 -5.012 -16.810 -0.689 1024 HH11 ARG 139 1HH1 ARG 139 -7.858 -18.817 -1.060 1025 HH12 ARG 139 2HH1 ARG 139 -7.241 -20.091 -0.045 1026 HH21 ARG 139 1HH2 ARG 139 -4.198 -18.468 0.628 1027 HH22 ARG 139 2HH2 ARG 139 -5.153 -19.896 0.919 1028 HA PRO 140 HA PRO 140 -11.614 -10.680 -2.917 1029 HB2 PRO 140 2HB PRO 140 -11.060 -11.737 -5.631 1030 HB3 PRO 140 1HB PRO 140 -11.401 -10.083 -5.116 1031 HG2 PRO 140 2HG PRO 140 -8.927 -10.841 -5.790 1032 HG3 PRO 140 1HG PRO 140 -9.216 -9.692 -4.471 1033 HD2 PRO 140 2HD PRO 140 -8.472 -12.575 -4.341 1034 HD3 PRO 140 1HD PRO 140 -8.011 -11.240 -3.269 1035 H ASP 141 HN ASP 141 -13.151 -11.954 -1.953 1036 HA ASP 141 HA ASP 141 -14.207 -14.189 -3.556 1037 HB2 ASP 141 2HB ASP 141 -14.574 -13.565 -0.613 1038 HB3 ASP 141 1HB ASP 141 -15.451 -14.827 -1.465 1039 HA PRO 142 HA PRO 142 -17.247 -10.821 -3.979 1040 HB2 PRO 142 2HB PRO 142 -17.604 -10.929 -6.626 1041 HB3 PRO 142 1HB PRO 142 -16.146 -10.214 -5.931 1042 HG2 PRO 142 2HG PRO 142 -16.524 -12.874 -7.213 1043 HG3 PRO 142 1HG PRO 142 -15.118 -11.798 -7.251 1044 HD2 PRO 142 2HD PRO 142 -15.457 -14.045 -5.594 1045 HD3 PRO 142 1HD PRO 142 -14.219 -12.789 -5.418 1046 H GLU 143 HN GLU 143 -17.649 -13.756 -3.496 1047 HA GLU 143 HA GLU 143 -20.420 -13.918 -4.461 1048 HB2 GLU 143 2HB GLU 143 -18.444 -16.202 -4.427 1049 HB3 GLU 143 1HB GLU 143 -20.135 -16.307 -4.883 1050 HG2 GLU 143 2HG GLU 143 -19.708 -14.779 -6.757 1051 HG3 GLU 143 1HG GLU 143 -18.008 -14.722 -6.303 1052 H ALA 144 HN ALA 144 -18.490 -13.699 -1.910 1053 HA ALA 144 HA ALA 144 -19.633 -15.693 -0.175 1054 HB1 ALA 144 1HB ALA 144 -17.871 -13.337 0.500 1055 HB2 ALA 144 2HB ALA 144 -17.298 -14.956 0.095 1056 HB3 ALA 144 3HB ALA 144 -18.248 -14.696 1.559 1057 HA PRO 145 HA PRO 145 -23.142 -13.370 1.198 1058 HB2 PRO 145 2HB PRO 145 -23.352 -14.339 3.751 1059 HB3 PRO 145 1HB PRO 145 -23.904 -15.206 2.314 1060 HG2 PRO 145 2HG PRO 145 -21.377 -15.527 3.875 1061 HG3 PRO 145 1HG PRO 145 -22.416 -16.770 3.157 1062 HD2 PRO 145 2HD PRO 145 -20.102 -15.982 2.005 1063 HD3 PRO 145 1HD PRO 145 -21.512 -16.490 1.050 1064 H LEU 146 HN LEU 146 -23.609 -11.520 2.276 1065 HA LEU 146 HA LEU 146 -21.378 -10.162 3.521 1066 HB2 LEU 146 2HB LEU 146 -22.560 -8.157 3.181 1067 HB3 LEU 146 1HB LEU 146 -22.818 -9.111 1.745 1068 HG LEU 146 HG LEU 146 -24.838 -8.862 3.966 1069 HD11 LEU 146 1HD1 LEU 146 -24.418 -6.689 2.932 1070 HD12 LEU 146 2HD1 LEU 146 -26.020 -7.304 2.521 1071 HD13 LEU 146 3HD1 LEU 146 -24.713 -7.393 1.341 1072 HD21 LEU 146 3HD2 LEU 146 -24.977 -9.998 1.179 1073 HD22 LEU 146 1HD2 LEU 146 -26.397 -9.643 2.165 1074 HD23 LEU 146 2HD2 LEU 146 -25.231 -10.848 2.704 1075 H GLU 147 HN GLU 147 -21.500 -9.113 5.549 1076 HA GLU 147 HA GLU 147 -23.089 -10.582 7.474 1077 HB2 GLU 147 2HB GLU 147 -20.563 -9.327 7.464 1078 HB3 GLU 147 1HB GLU 147 -21.551 -8.450 8.627 1079 HG2 GLU 147 2HG GLU 147 -21.024 -11.410 8.605 1080 HG3 GLU 147 1HG GLU 147 -20.345 -10.222 9.714 1081 H HIS 148 HN HIS 148 -24.822 -9.823 8.549 1082 HA HIS 148 HA HIS 148 -25.491 -6.977 8.240 1083 HB2 HIS 148 2HB HIS 148 -26.765 -8.427 6.626 1084 HB3 HIS 148 1HB HIS 148 -27.504 -9.226 8.009 1085 HD1 HIS 148 1HD HIS 148 -27.144 -5.633 6.758 1086 HD2 HIS 148 2HD HIS 148 -29.878 -8.121 8.668 1087 HE1 HIS 148 1HE HIS 148 -29.219 -4.250 7.071 1088 HE2 HIS 148 2HE HIS 148 -30.907 -5.818 8.084 1089 H HIS 149 HN HIS 149 -24.512 -8.974 10.463 1090 HA HIS 149 HA HIS 149 -26.588 -8.547 12.448 1091 HB2 HIS 149 2HB HIS 149 -23.831 -9.757 12.622 1092 HB3 HIS 149 1HB HIS 149 -24.809 -9.449 14.050 1093 HD1 HIS 149 1HD HIS 149 -27.100 -10.829 14.211 1094 HD2 HIS 149 2HD HIS 149 -24.419 -12.065 11.277 1095 HE1 HIS 149 1HE HIS 149 -27.813 -13.151 13.574 1096 HE2 HIS 149 2HE HIS 149 -26.037 -13.960 11.983 1097 H HIS 150 HN HIS 150 -26.572 -7.049 14.059 1098 HA HIS 150 HA HIS 150 -24.302 -5.216 14.227 1099 HB2 HIS 150 2HB HIS 150 -25.846 -3.251 14.245 1100 HB3 HIS 150 1HB HIS 150 -25.763 -4.067 12.692 1101 HD1 HIS 150 1HD HIS 150 -28.129 -2.744 15.073 1102 HD2 HIS 150 2HD HIS 150 -28.120 -5.841 12.283 1103 HE1 HIS 150 1HE HIS 150 -30.550 -3.323 14.680 1104 HE2 HIS 150 2HE HIS 150 -30.525 -5.206 13.004 1105 H HIS 151 HN HIS 151 -23.935 -4.410 16.262 1106 HA HIS 151 HA HIS 151 -25.380 -5.871 18.312 1107 HB2 HIS 151 2HB HIS 151 -23.577 -5.087 19.850 1108 HB3 HIS 151 1HB HIS 151 -23.005 -6.042 18.494 1109 HD1 HIS 151 1HD HIS 151 -21.491 -4.854 16.755 1110 HD2 HIS 151 2HD HIS 151 -22.679 -2.428 19.923 1111 HE1 HIS 151 1HE HIS 151 -19.969 -2.852 16.691 1112 HE2 HIS 151 2HE HIS 151 -20.605 -1.479 18.706 1113 H HIS 152 HN HIS 152 -27.262 -4.931 18.690 1114 HA HIS 152 HA HIS 152 -27.199 -2.156 19.671 1115 HB2 HIS 152 2HB HIS 152 -28.426 -2.375 17.521 1116 HB3 HIS 152 1HB HIS 152 -29.498 -3.549 18.273 1117 HD1 HIS 152 1HD HIS 152 -31.552 -2.635 19.321 1118 HD2 HIS 152 2HD HIS 152 -28.633 0.279 18.789 1119 HE1 HIS 152 1HE HIS 152 -32.634 -0.461 19.980 1120 HE2 HIS 152 2HE HIS 152 -30.911 1.309 19.451 1121 H HIS 153 HN HIS 153 -27.538 -2.071 21.774 1122 HA HIS 153 HA HIS 153 -29.291 -4.095 23.003 1123 HB2 HIS 153 2HB HIS 153 -26.958 -4.438 23.699 1124 HB3 HIS 153 1HB HIS 153 -26.856 -2.762 24.224 1125 HD1 HIS 153 1HD HIS 153 -28.437 -6.056 25.163 1126 HD2 HIS 153 2HD HIS 153 -27.880 -2.245 26.746 1127 HE1 HIS 153 1HE HIS 153 -29.155 -6.203 27.572 1128 HE2 HIS 153 2HE HIS 153 -28.907 -3.864 28.479
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