![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
5016 |
1g9e ![]() ![]() |
4628 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 HT1 GLN 1 13.263 15.678 2.972 2 2H GLN 1 HT2 GLN 1 13.112 14.025 3.409 3 3H GLN 1 HT3 GLN 1 11.967 14.743 2.351 4 HA GLN 1 HA GLN 1 13.884 15.200 0.839 5 1HB GLN 1 HB2 GLN 1 15.083 13.171 2.734 6 2HB GLN 1 HB1 GLN 1 15.770 13.590 1.170 7 1HG GLN 1 HG2 GLN 1 15.588 16.037 2.222 8 2HG GLN 1 HG1 GLN 1 15.754 15.100 3.706 9 1HE2 GLN 1 HE21 GLN 1 17.280 16.086 0.748 10 2HE2 GLN 1 HE22 GLN 1 18.878 15.580 1.164 11 H VAL 2 HN VAL 2 12.223 12.559 2.368 12 HA VAL 2 HA VAL 2 12.152 11.096 -0.181 13 HB VAL 2 HB VAL 2 10.971 9.424 1.658 14 1HG1 VAL 2 HG11 VAL 2 13.181 8.216 1.592 15 2HG1 VAL 2 HG12 VAL 2 13.810 9.592 0.685 16 3HG1 VAL 2 HG13 VAL 2 12.488 8.630 0.023 17 1HG2 VAL 2 HG21 VAL 2 11.550 10.734 3.569 18 2HG2 VAL 2 HG22 VAL 2 13.219 10.893 3.022 19 3HG2 VAL 2 HG23 VAL 2 12.608 9.323 3.543 20 H GLN 3 HN GLN 3 10.131 10.218 -0.898 21 HA GLN 3 HA GLN 3 7.704 11.240 0.336 22 1HB GLN 3 HB2 GLN 3 6.894 12.224 -1.779 23 2HB GLN 3 HB1 GLN 3 8.312 13.056 -1.154 24 1HG GLN 3 HG2 GLN 3 9.605 11.449 -2.745 25 2HG GLN 3 HG1 GLN 3 8.043 11.305 -3.550 26 1HE2 GLN 3 HE21 GLN 3 10.200 12.339 -4.870 27 2HE2 GLN 3 HE22 GLN 3 9.964 14.028 -5.144 28 H LEU 4 HN LEU 4 5.746 10.502 -1.068 29 HA LEU 4 HA LEU 4 6.232 7.986 -2.451 30 1HB LEU 4 HB2 LEU 4 4.652 8.234 0.098 31 2HB LEU 4 HB1 LEU 4 4.398 6.917 -1.031 32 HG LEU 4 HG LEU 4 7.172 6.991 -0.557 33 1HD1 LEU 4 HD11 LEU 4 7.220 6.681 1.911 34 2HD1 LEU 4 HD12 LEU 4 5.568 7.296 1.974 35 3HD1 LEU 4 HD13 LEU 4 6.875 8.333 1.401 36 1HD2 LEU 4 HD21 LEU 4 5.863 5.000 -1.025 37 2HD2 LEU 4 HD22 LEU 4 5.030 5.162 0.521 38 3HD2 LEU 4 HD23 LEU 4 6.757 4.807 0.484 39 H GLN 5 HN GLN 5 5.032 7.969 -4.227 40 HA GLN 5 HA GLN 5 2.506 9.489 -4.228 41 1HB GLN 5 HB2 GLN 5 4.679 9.223 -6.247 42 2HB GLN 5 HB1 GLN 5 3.029 9.359 -6.839 43 1HG GLN 5 HG2 GLN 5 3.265 11.352 -4.912 44 2HG GLN 5 HG1 GLN 5 4.787 11.390 -5.801 45 1HE2 GLN 5 HE21 GLN 5 1.966 12.853 -5.666 46 2HE2 GLN 5 HE22 GLN 5 1.694 13.224 -7.331 47 H GLU 6 HN GLU 6 0.805 8.662 -5.629 48 HA GLU 6 HA GLU 6 0.950 5.740 -5.995 49 1HB GLU 6 HB2 GLU 6 -1.626 7.144 -5.383 50 2HB GLU 6 HB1 GLU 6 -1.210 5.454 -5.159 51 1HG GLU 6 HG2 GLU 6 -1.288 6.309 -3.002 52 2HG GLU 6 HG1 GLU 6 0.433 6.273 -3.386 53 H SER 7 HN SER 7 -0.838 4.963 -7.480 54 HA SER 7 HA SER 7 -1.769 6.793 -9.490 55 1HB SER 7 HB2 SER 7 0.620 5.067 -9.982 56 2HB SER 7 HB1 SER 7 -0.534 5.300 -11.295 57 HG SER 7 HG SER 7 0.562 7.459 -9.834 58 H GLY 8 HN GLY 8 -3.562 6.026 -10.453 59 1HA GLY 8 HA2 GLY 8 -4.921 4.337 -11.418 60 2HA GLY 8 HA1 GLY 8 -4.034 3.133 -10.495 61 H GLY 9 HN GLY 9 -4.254 4.624 -7.985 62 1HA GLY 9 HA2 GLY 9 -6.464 3.447 -6.875 63 2HA GLY 9 HA1 GLY 9 -5.663 4.851 -6.200 64 H GLY 10 HN GLY 10 -8.531 3.931 -6.543 65 1HA GLY 10 HA2 GLY 10 -9.793 6.376 -6.596 66 2HA GLY 10 HA1 GLY 10 -9.800 5.817 -8.262 67 H LEU 11 HN LEU 11 -12.137 5.867 -7.993 68 HA LEU 11 HA LEU 11 -13.462 4.166 -6.200 69 1HB LEU 11 HB2 LEU 11 -14.466 5.301 -8.798 70 2HB LEU 11 HB1 LEU 11 -15.455 4.654 -7.499 71 HG LEU 11 HG LEU 11 -13.804 6.618 -6.349 72 1HD1 LEU 11 HD11 LEU 11 -13.862 7.239 -8.968 73 2HD1 LEU 11 HD12 LEU 11 -13.780 8.439 -7.679 74 3HD1 LEU 11 HD13 LEU 11 -15.330 8.051 -8.424 75 1HD2 LEU 11 HD21 LEU 11 -16.373 5.799 -6.150 76 2HD2 LEU 11 HD22 LEU 11 -16.587 7.341 -6.978 77 3HD2 LEU 11 HD23 LEU 11 -15.750 7.283 -5.427 78 H VAL 12 HN VAL 12 -14.385 2.150 -6.488 79 HA VAL 12 HA VAL 12 -14.273 0.763 -8.994 80 HB VAL 12 HB VAL 12 -11.945 0.504 -8.335 81 1HG1 VAL 12 HG11 VAL 12 -11.228 -0.440 -6.309 82 2HG1 VAL 12 HG12 VAL 12 -12.848 -1.005 -5.902 83 3HG1 VAL 12 HG13 VAL 12 -12.478 0.718 -5.853 84 1HG2 VAL 12 HG21 VAL 12 -13.526 -2.044 -8.010 85 2HG2 VAL 12 HG22 VAL 12 -11.809 -1.943 -8.401 86 3HG2 VAL 12 HG23 VAL 12 -13.010 -1.326 -9.536 87 H GLN 13 HN GLN 13 -16.195 -0.201 -8.971 88 HA GLN 13 HA GLN 13 -17.708 -0.767 -6.693 89 1HB GLN 13 HB2 GLN 13 -17.891 -1.317 -9.562 90 2HB GLN 13 HB1 GLN 13 -18.744 -2.455 -8.537 91 1HG GLN 13 HG2 GLN 13 -19.429 0.018 -7.508 92 2HG GLN 13 HG1 GLN 13 -19.422 0.260 -9.254 93 1HE2 GLN 13 HE21 GLN 13 -21.766 0.570 -8.142 94 2HE2 GLN 13 HE22 GLN 13 -22.805 -0.785 -8.405 95 H ALA 14 HN ALA 14 -18.213 -2.693 -5.635 96 HA ALA 14 HA ALA 14 -16.177 -4.380 -4.948 97 1HB ALA 14 HB1 ALA 14 -18.129 -4.272 -3.596 98 2HB ALA 14 HB2 ALA 14 -17.970 -5.940 -4.150 99 3HB ALA 14 HB3 ALA 14 -19.145 -4.865 -4.910 100 H GLY 15 HN GLY 15 -15.511 -6.441 -5.526 101 1HA GLY 15 HA2 GLY 15 -15.419 -8.386 -6.816 102 2HA GLY 15 HA1 GLY 15 -16.747 -7.776 -7.791 103 H GLY 16 HN GLY 16 -14.791 -5.219 -7.725 104 1HA GLY 16 HA2 GLY 16 -13.434 -6.054 -10.200 105 2HA GLY 16 HA1 GLY 16 -13.864 -4.401 -9.789 106 H SER 17 HN SER 17 -11.341 -6.470 -10.072 107 HA SER 17 HA SER 17 -9.777 -5.797 -7.803 108 1HB SER 17 HB2 SER 17 -8.946 -7.705 -8.743 109 2HB SER 17 HB1 SER 17 -9.316 -7.179 -10.380 110 HG SER 17 HG SER 17 -7.303 -6.636 -10.519 111 H LEU 18 HN LEU 18 -8.381 -4.172 -7.441 112 HA LEU 18 HA LEU 18 -8.061 -2.165 -9.568 113 1HB LEU 18 HB2 LEU 18 -9.449 -1.447 -7.630 114 2HB LEU 18 HB1 LEU 18 -8.063 -1.706 -6.586 115 HG LEU 18 HG LEU 18 -6.863 -0.040 -8.157 116 1HD1 LEU 18 HD11 LEU 18 -8.174 0.488 -9.915 117 2HD1 LEU 18 HD12 LEU 18 -8.833 1.674 -8.787 118 3HD1 LEU 18 HD13 LEU 18 -9.668 0.141 -9.043 119 1HD2 LEU 18 HD21 LEU 18 -9.033 0.956 -6.318 120 2HD2 LEU 18 HD22 LEU 18 -7.556 1.806 -6.771 121 3HD2 LEU 18 HD23 LEU 18 -7.466 0.346 -5.787 122 H ARG 19 HN ARG 19 -6.038 -1.558 -10.103 123 HA ARG 19 HA ARG 19 -3.840 -2.809 -8.614 124 1HB ARG 19 HB2 ARG 19 -4.440 -2.918 -11.282 125 2HB ARG 19 HB1 ARG 19 -3.183 -1.694 -11.221 126 1HG ARG 19 HG2 ARG 19 -2.810 -4.302 -9.819 127 2HG ARG 19 HG1 ARG 19 -2.539 -4.175 -11.558 128 1HD ARG 19 HD2 ARG 19 -0.650 -2.971 -11.305 129 2HD ARG 19 HD1 ARG 19 -1.284 -2.073 -9.926 130 HE ARG 19 HE ARG 19 -0.269 -3.577 -8.541 131 1HH1 ARG 19 HH11 ARG 19 -0.523 -4.997 -11.719 132 2HH1 ARG 19 HH12 ARG 19 0.403 -6.400 -11.303 133 1HH2 ARG 19 HH21 ARG 19 0.949 -5.419 -7.992 134 2HH2 ARG 19 HH22 ARG 19 1.237 -6.641 -9.185 135 H LEU 20 HN LEU 20 -2.637 -1.533 -7.376 136 HA LEU 20 HA LEU 20 -2.471 1.326 -8.053 137 1HB LEU 20 HB2 LEU 20 -1.883 0.132 -5.356 138 2HB LEU 20 HB1 LEU 20 -2.160 1.816 -5.754 139 HG LEU 20 HG LEU 20 -4.201 -0.397 -5.643 140 1HD1 LEU 20 HD11 LEU 20 -3.436 1.887 -3.939 141 2HD1 LEU 20 HD12 LEU 20 -4.137 0.328 -3.506 142 3HD1 LEU 20 HD13 LEU 20 -5.165 1.609 -4.147 143 1HD2 LEU 20 HD21 LEU 20 -5.131 0.710 -7.383 144 2HD2 LEU 20 HD22 LEU 20 -4.251 2.202 -7.048 145 3HD2 LEU 20 HD23 LEU 20 -5.679 1.788 -6.100 146 H SER 21 HN SER 21 -0.510 2.280 -8.251 147 HA SER 21 HA SER 21 1.874 0.591 -7.872 148 1HB SER 21 HB2 SER 21 2.838 1.504 -9.901 149 2HB SER 21 HB1 SER 21 1.259 0.817 -10.278 150 HG SER 21 HG SER 21 1.848 3.038 -11.088 151 H CYS 22 HN CYS 22 2.634 1.481 -6.016 152 HA CYS 22 HA CYS 22 2.868 4.387 -5.827 153 1HB CYS 22 HB2 CYS 22 1.965 3.262 -3.875 154 2HB CYS 22 HB1 CYS 22 3.371 2.208 -3.792 155 H ALA 23 HN ALA 23 4.754 5.466 -5.916 156 HA ALA 23 HA ALA 23 7.201 3.862 -6.295 157 1HB ALA 23 HB1 ALA 23 6.632 4.915 -8.362 158 2HB ALA 23 HB2 ALA 23 8.021 5.765 -7.686 159 3HB ALA 23 HB3 ALA 23 6.411 6.475 -7.570 160 H ALA 24 HN ALA 24 9.103 4.545 -5.335 161 HA ALA 24 HA ALA 24 8.897 6.804 -3.461 162 1HB ALA 24 HB1 ALA 24 9.723 3.990 -2.896 163 2HB ALA 24 HB2 ALA 24 8.677 5.062 -1.965 164 3HB ALA 24 HB3 ALA 24 10.422 5.314 -1.965 165 H SER 25 HN SER 25 10.596 8.158 -3.455 166 HA SER 25 HA SER 25 13.192 7.283 -4.422 167 1HB SER 25 HB2 SER 25 11.588 8.253 -6.327 168 2HB SER 25 HB1 SER 25 12.187 9.784 -5.690 169 HG SER 25 HG SER 25 13.715 9.297 -7.110 170 H GLY 26 HN GLY 26 14.808 8.267 -3.359 171 1HA GLY 26 HA2 GLY 26 14.976 10.899 -2.546 172 2HA GLY 26 HA1 GLY 26 14.198 10.051 -1.219 173 H ARG 27 HN ARG 27 15.371 8.582 0.012 174 HA ARG 27 HA ARG 27 18.007 7.755 -0.626 175 1HB ARG 27 HB2 ARG 27 18.473 10.133 -0.149 176 2HB ARG 27 HB1 ARG 27 17.772 9.939 1.451 177 1HG ARG 27 HG2 ARG 27 19.983 8.118 0.687 178 2HG ARG 27 HG1 ARG 27 20.378 9.805 1.021 179 1HD ARG 27 HD2 ARG 27 18.584 8.752 3.020 180 2HD ARG 27 HD1 ARG 27 20.020 7.744 2.873 181 HE ARG 27 HE ARG 27 21.332 9.520 3.607 182 1HH1 ARG 27 HH11 ARG 27 17.986 10.489 3.309 183 2HH1 ARG 27 HH12 ARG 27 18.203 11.946 4.216 184 1HH2 ARG 27 HH21 ARG 27 21.608 11.437 4.798 185 2HH2 ARG 27 HH22 ARG 27 20.254 12.484 5.062 186 H THR 28 HN THR 28 17.768 5.757 0.157 187 HA THR 28 HA THR 28 17.676 5.296 2.953 188 HB THR 28 HB THR 28 15.286 5.801 2.582 189 HG1 THR 28 HG1 THR 28 15.652 4.370 4.209 190 1HG2 THR 28 HG21 THR 28 15.142 4.953 0.249 191 2HG2 THR 28 HG22 THR 28 13.855 4.388 1.315 192 3HG2 THR 28 HG23 THR 28 15.191 3.315 0.899 193 H GLY 29 HN GLY 29 18.967 3.585 3.203 194 1HA GLY 29 HA2 GLY 29 18.613 1.251 1.508 195 2HA GLY 29 HA1 GLY 29 20.173 2.047 1.420 196 H SER 30 HN SER 30 18.205 1.692 4.319 197 HA SER 30 HA SER 30 20.359 0.044 5.465 198 1HB SER 30 HB2 SER 30 20.189 2.101 6.673 199 2HB SER 30 HB1 SER 30 18.433 1.973 6.770 200 HG SER 30 HG SER 30 19.065 1.233 8.695 201 H THR 31 HN THR 31 17.050 0.553 6.618 202 HA THR 31 HA THR 31 16.414 -2.249 6.060 203 HB THR 31 HB THR 31 17.234 -2.309 8.330 204 HG1 THR 31 HG1 THR 31 15.458 -3.189 9.279 205 1HG2 THR 31 HG21 THR 31 15.143 -0.497 9.375 206 2HG2 THR 31 HG22 THR 31 16.582 0.232 8.661 207 3HG2 THR 31 HG23 THR 31 16.740 -0.885 10.017 208 H TYR 32 HN TYR 32 15.596 0.312 4.935 209 HA TYR 32 HA TYR 32 13.011 1.004 5.846 210 1HB TYR 32 HB2 TYR 32 13.761 2.753 4.646 211 2HB TYR 32 HB1 TYR 32 14.858 1.758 3.714 212 HD1 TYR 32 HD1 TYR 32 13.751 0.322 1.817 213 HD2 TYR 32 HD2 TYR 32 11.959 3.754 3.582 214 HE1 TYR 32 HE1 TYR 32 12.340 0.603 -0.176 215 HE2 TYR 32 HE2 TYR 32 10.542 4.041 1.594 216 HH TYR 32 HH TYR 32 10.577 3.422 -0.795 217 H ASP 33 HN ASP 33 11.071 0.887 4.382 218 HA ASP 33 HA ASP 33 10.913 -1.424 2.642 219 1HB ASP 33 HB2 ASP 33 8.763 -2.063 4.110 220 2HB ASP 33 HB1 ASP 33 10.350 -2.752 4.413 221 H MET 34 HN MET 34 8.399 -1.689 2.031 222 HA MET 34 HA MET 34 7.164 0.961 1.885 223 1HB MET 34 HB2 MET 34 8.509 -0.317 -0.297 224 2HB MET 34 HB1 MET 34 6.792 -0.222 -0.663 225 1HG MET 34 HG2 MET 34 6.811 2.166 -0.306 226 2HG MET 34 HG1 MET 34 8.506 2.105 0.172 227 1HE MET 34 HE1 MET 34 10.344 1.065 -2.960 228 2HE MET 34 HE2 MET 34 9.195 -0.249 -2.709 229 3HE MET 34 HE3 MET 34 9.992 0.500 -1.327 230 H GLY 35 HN GLY 35 5.081 0.841 2.408 231 1HA GLY 35 HA2 GLY 35 3.522 -1.459 1.523 232 2HA GLY 35 HA1 GLY 35 3.652 -1.228 3.258 233 H TRP 36 HN TRP 36 1.291 -1.179 1.547 234 HA TRP 36 HA TRP 36 0.444 1.573 1.464 235 1HB TRP 36 HB2 TRP 36 -0.992 -0.996 0.883 236 2HB TRP 36 HB1 TRP 36 -1.702 0.589 0.682 237 HD1 TRP 36 HD1 TRP 36 1.039 -1.653 -0.817 238 HE1 TRP 36 HE1 TRP 36 1.516 -0.852 -3.216 239 HE3 TRP 36 HE3 TRP 36 -1.873 2.553 -0.864 240 HZ2 TRP 36 HZ2 TRP 36 0.758 1.278 -4.908 241 HZ3 TRP 36 HZ3 TRP 36 -1.940 3.915 -2.913 242 HH2 TRP 36 HH2 TRP 36 -0.650 3.290 -4.890 243 H PHE 37 HN PHE 37 -1.333 2.406 2.606 244 HA PHE 37 HA PHE 37 -2.068 0.944 5.036 245 1HB PHE 37 HB2 PHE 37 -0.854 3.647 4.733 246 2HB PHE 37 HB1 PHE 37 -2.083 3.442 5.968 247 HD1 PHE 37 HD1 PHE 37 -1.343 2.936 8.075 248 HD2 PHE 37 HD2 PHE 37 0.942 1.651 4.724 249 HE1 PHE 37 HE1 PHE 37 0.346 1.992 9.594 250 HE2 PHE 37 HE2 PHE 37 2.634 0.700 6.235 251 HZ PHE 37 HZ PHE 37 2.337 0.871 8.675 252 H ARG 38 HN ARG 38 -3.901 2.439 6.155 253 HA ARG 38 HA ARG 38 -5.671 3.647 4.221 254 1HB ARG 38 HB2 ARG 38 -7.553 2.125 4.743 255 2HB ARG 38 HB1 ARG 38 -6.239 1.326 3.895 256 1HG ARG 38 HG2 ARG 38 -5.517 0.821 6.428 257 2HG ARG 38 HG1 ARG 38 -7.268 0.909 6.621 258 1HD ARG 38 HD2 ARG 38 -6.493 -0.625 4.280 259 2HD ARG 38 HD1 ARG 38 -5.808 -1.284 5.765 260 HE ARG 38 HE ARG 38 -7.915 -1.898 6.435 261 1HH1 ARG 38 HH11 ARG 38 -8.164 0.266 3.708 262 2HH1 ARG 38 HH12 ARG 38 -9.864 0.009 3.501 263 1HH2 ARG 38 HH21 ARG 38 -10.151 -2.237 6.162 264 2HH2 ARG 38 HH22 ARG 38 -10.992 -1.411 4.893 265 H GLN 39 HN GLN 39 -7.623 4.578 5.254 266 HA GLN 39 HA GLN 39 -7.743 4.683 8.120 267 1HB GLN 39 HB2 GLN 39 -5.842 6.251 7.466 268 2HB GLN 39 HB1 GLN 39 -7.071 7.272 6.733 269 1HG GLN 39 HG2 GLN 39 -7.828 8.016 8.714 270 2HG GLN 39 HG1 GLN 39 -7.593 6.461 9.510 271 1HE2 GLN 39 HE21 GLN 39 -6.776 7.746 11.276 272 2HE2 GLN 39 HE22 GLN 39 -5.133 8.277 11.255 273 H ALA 40 HN ALA 40 -9.628 5.620 8.898 274 HA ALA 40 HA ALA 40 -11.543 6.565 6.870 275 1HB ALA 40 HB1 ALA 40 -12.676 5.109 9.165 276 2HB ALA 40 HB2 ALA 40 -11.750 4.130 8.027 277 3HB ALA 40 HB3 ALA 40 -13.128 5.074 7.460 278 HA PRO 41 HA PRO 41 -12.403 9.923 9.579 279 1HB PRO 41 HB2 PRO 41 -15.094 10.244 9.405 280 2HB PRO 41 HB1 PRO 41 -13.994 10.656 8.083 281 1HG PRO 41 HG2 PRO 41 -15.665 8.201 8.462 282 2HG PRO 41 HG1 PRO 41 -15.388 9.151 6.990 283 1HD PRO 41 HD2 PRO 41 -14.089 6.824 7.501 284 2HD PRO 41 HD1 PRO 41 -13.356 8.149 6.574 285 H GLY 42 HN GLY 42 -12.657 10.296 11.678 286 1HA GLY 42 HA2 GLY 42 -13.314 10.009 13.868 287 2HA GLY 42 HA1 GLY 42 -14.614 8.973 13.292 288 H LYS 43 HN LYS 43 -11.891 7.766 11.914 289 HA LYS 43 HA LYS 43 -11.478 5.867 14.122 290 1HB LYS 43 HB2 LYS 43 -12.509 5.268 11.757 291 2HB LYS 43 HB1 LYS 43 -10.817 5.209 11.296 292 1HG LYS 43 HG2 LYS 43 -10.689 3.145 12.090 293 2HG LYS 43 HG1 LYS 43 -11.061 3.756 13.703 294 1HD LYS 43 HD2 LYS 43 -12.919 2.522 13.601 295 2HD LYS 43 HD1 LYS 43 -13.522 3.704 12.439 296 1HE LYS 43 HE2 LYS 43 -12.006 2.131 10.835 297 2HE LYS 43 HE1 LYS 43 -12.560 0.954 12.025 298 1HZ LYS 43 HZ1 LYS 43 -14.829 2.249 11.489 299 2HZ LYS 43 HZ2 LYS 43 -14.335 0.851 10.677 300 3HZ LYS 43 HZ3 LYS 43 -14.058 2.370 9.988 301 H GLU 44 HN GLU 44 -9.268 4.606 13.520 302 HA GLU 44 HA GLU 44 -7.219 6.694 13.499 303 1HB GLU 44 HB2 GLU 44 -6.869 3.804 14.291 304 2HB GLU 44 HB1 GLU 44 -5.789 5.148 14.635 305 1HG GLU 44 HG2 GLU 44 -7.694 6.140 15.983 306 2HG GLU 44 HG1 GLU 44 -8.476 4.567 15.835 307 H ARG 45 HN ARG 45 -4.984 5.372 12.768 308 HA ARG 45 HA ARG 45 -5.537 4.734 9.958 309 1HB ARG 45 HB2 ARG 45 -3.417 5.547 9.405 310 2HB ARG 45 HB1 ARG 45 -3.964 6.646 10.661 311 1HG ARG 45 HG2 ARG 45 -2.611 5.470 12.306 312 2HG ARG 45 HG1 ARG 45 -2.088 4.326 11.067 313 1HD ARG 45 HD2 ARG 45 -0.735 5.857 10.026 314 2HD ARG 45 HD1 ARG 45 -1.684 7.235 10.582 315 HE ARG 45 HE ARG 45 0.511 5.971 11.949 316 1HH1 ARG 45 HH11 ARG 45 -2.339 7.954 12.313 317 2HH1 ARG 45 HH12 ARG 45 -1.802 8.673 13.794 318 1HH2 ARG 45 HH21 ARG 45 1.218 6.915 13.897 319 2HH2 ARG 45 HH22 ARG 45 0.217 8.084 14.693 320 H GLU 46 HN GLU 46 -4.976 2.830 9.060 321 HA GLU 46 HA GLU 46 -3.440 0.922 10.685 322 1HB GLU 46 HB2 GLU 46 -4.962 -0.877 9.993 323 2HB GLU 46 HB1 GLU 46 -5.803 0.359 10.918 324 1HG GLU 46 HG2 GLU 46 -6.134 1.224 8.345 325 2HG GLU 46 HG1 GLU 46 -6.206 -0.529 8.175 326 H SER 47 HN SER 47 -2.586 -0.907 9.354 327 HA SER 47 HA SER 47 -1.786 0.118 6.732 328 1HB SER 47 HB2 SER 47 -0.028 -0.413 8.465 329 2HB SER 47 HB1 SER 47 -0.459 -2.100 8.282 330 HG SER 47 HG SER 47 0.152 -0.606 5.997 331 H VAL 48 HN VAL 48 -1.223 -1.663 5.161 332 HA VAL 48 HA VAL 48 -3.281 -3.769 5.211 333 HB VAL 48 HB VAL 48 -2.421 -2.406 2.690 334 1HG1 VAL 48 HG11 VAL 48 -4.600 -4.310 3.450 335 2HG1 VAL 48 HG12 VAL 48 -3.398 -4.452 2.167 336 3HG1 VAL 48 HG13 VAL 48 -4.728 -3.305 2.006 337 1HG2 VAL 48 HG21 VAL 48 -3.583 -0.594 3.240 338 2HG2 VAL 48 HG22 VAL 48 -4.087 -1.330 4.762 339 3HG2 VAL 48 HG23 VAL 48 -5.035 -1.594 3.298 340 H ALA 49 HN ALA 49 -0.545 -2.851 3.115 341 HA ALA 49 HA ALA 49 0.720 -5.419 3.688 342 1HB ALA 49 HB1 ALA 49 0.347 -6.363 1.709 343 2HB ALA 49 HB2 ALA 49 0.836 -4.904 0.847 344 3HB ALA 49 HB3 ALA 49 -0.827 -5.083 1.407 345 H ALA 50 HN ALA 50 2.903 -5.352 3.669 346 HA ALA 50 HA ALA 50 4.254 -3.080 2.415 347 1HB ALA 50 HB1 ALA 50 5.275 -3.727 5.092 348 2HB ALA 50 HB2 ALA 50 3.689 -2.956 5.058 349 3HB ALA 50 HB3 ALA 50 5.071 -2.166 4.297 350 H ILE 51 HN ILE 51 6.399 -3.472 1.823 351 HA ILE 51 HA ILE 51 7.255 -6.267 2.065 352 HB ILE 51 HB ILE 51 8.670 -5.005 0.000 353 1HG1 ILE 51 HG12 ILE 51 5.708 -4.494 -0.234 354 2HG1 ILE 51 HG11 ILE 51 6.967 -3.270 -0.080 355 1HG2 ILE 51 HG21 ILE 51 8.147 -6.883 -1.121 356 2HG2 ILE 51 HG22 ILE 51 6.424 -6.721 -0.783 357 3HG2 ILE 51 HG23 ILE 51 7.501 -7.399 0.437 358 1HD1 ILE 51 HD11 ILE 51 7.715 -3.583 -2.236 359 2HD1 ILE 51 HD12 ILE 51 5.973 -3.801 -2.406 360 3HD1 ILE 51 HD13 ILE 51 7.037 -5.207 -2.349 361 H ASN 52 HN ASN 52 9.373 -6.704 2.613 362 HA ASN 52 HA ASN 52 10.810 -4.534 3.901 363 1HB ASN 52 HB2 ASN 52 10.659 -6.588 5.135 364 2HB ASN 52 HB1 ASN 52 11.316 -7.506 3.793 365 1HD2 ASN 52 HD21 ASN 52 12.067 -4.987 6.136 366 2HD2 ASN 52 HD22 ASN 52 13.759 -5.326 6.227 367 H TRP 53 HN TRP 53 13.211 -4.498 3.624 368 HA TRP 53 HA TRP 53 13.889 -4.744 0.770 369 1HB TRP 53 HB2 TRP 53 13.668 -2.425 2.016 370 2HB TRP 53 HB1 TRP 53 15.298 -2.812 2.552 371 HD1 TRP 53 HD1 TRP 53 17.196 -2.190 0.946 372 HE1 TRP 53 HE1 TRP 53 17.345 -1.419 -1.508 373 HE3 TRP 53 HE3 TRP 53 12.303 -2.803 -0.392 374 HZ2 TRP 53 HZ2 TRP 53 15.611 -1.114 -3.718 375 HZ3 TRP 53 HZ3 TRP 53 11.629 -2.251 -2.693 376 HH2 TRP 53 HH2 TRP 53 13.250 -1.424 -4.320 377 H ASP 54 HN ASP 54 14.717 -6.868 1.120 378 HA ASP 54 HA ASP 54 17.478 -6.977 1.563 379 1HB ASP 54 HB2 ASP 54 15.931 -7.141 3.964 380 2HB ASP 54 HB1 ASP 54 16.673 -8.711 3.670 381 H SER 55 HN SER 55 15.117 -9.384 2.662 382 HA SER 55 HA SER 55 14.682 -10.813 0.368 383 1HB SER 55 HB2 SER 55 17.395 -11.275 1.473 384 2HB SER 55 HB1 SER 55 16.488 -12.718 1.019 385 HG SER 55 HG SER 55 16.775 -12.231 -1.001 386 H ALA 56 HN ALA 56 12.932 -10.594 2.146 387 HA ALA 56 HA ALA 56 12.919 -13.106 3.663 388 1HB ALA 56 HB1 ALA 56 13.158 -11.670 5.429 389 2HB ALA 56 HB2 ALA 56 11.400 -11.697 5.285 390 3HB ALA 56 HB3 ALA 56 12.320 -10.351 4.612 391 H ARG 57 HN ARG 57 10.532 -10.517 3.224 392 HA ARG 57 HA ARG 57 8.961 -11.695 1.265 393 1HB ARG 57 HB2 ARG 57 8.846 -13.213 3.569 394 2HB ARG 57 HB1 ARG 57 7.407 -12.213 3.686 395 1HG ARG 57 HG2 ARG 57 6.462 -13.830 2.463 396 2HG ARG 57 HG1 ARG 57 7.256 -13.026 1.107 397 1HD ARG 57 HD2 ARG 57 8.988 -14.904 2.516 398 2HD ARG 57 HD1 ARG 57 7.557 -15.665 1.820 399 HE ARG 57 HE ARG 57 8.491 -14.152 -0.213 400 1HH1 ARG 57 HH11 ARG 57 9.993 -16.504 1.879 401 2HH1 ARG 57 HH12 ARG 57 11.140 -17.019 0.688 402 1HH2 ARG 57 HH21 ARG 57 9.996 -14.825 -1.785 403 2HH2 ARG 57 HH22 ARG 57 11.142 -16.064 -1.394 404 H THR 58 HN THR 58 6.385 -11.124 2.133 405 HA THR 58 HA THR 58 6.529 -8.209 2.384 406 HB THR 58 HB THR 58 3.879 -9.307 1.890 407 HG1 THR 58 HG1 THR 58 5.934 -9.940 0.043 408 1HG2 THR 58 HG21 THR 58 3.711 -7.382 0.835 409 2HG2 THR 58 HG22 THR 58 4.892 -7.928 -0.356 410 3HG2 THR 58 HG23 THR 58 5.429 -7.078 1.093 411 H TYR 59 HN TYR 59 4.259 -7.437 3.429 412 HA TYR 59 HA TYR 59 3.812 -8.897 5.928 413 1HB TYR 59 HB2 TYR 59 5.442 -7.274 6.558 414 2HB TYR 59 HB1 TYR 59 4.629 -6.005 5.656 415 HD1 TYR 59 HD1 TYR 59 4.033 -4.391 7.214 416 HD2 TYR 59 HD2 TYR 59 3.252 -8.481 8.082 417 HE1 TYR 59 HE1 TYR 59 2.802 -3.720 9.233 418 HE2 TYR 59 HE2 TYR 59 2.018 -7.822 10.105 419 HH TYR 59 HH TYR 59 1.130 -4.569 10.738 420 H TYR 60 HN TYR 60 1.749 -9.479 5.251 421 HA TYR 60 HA TYR 60 -0.110 -7.367 4.475 422 1HB TYR 60 HB2 TYR 60 -0.097 -10.340 4.314 423 2HB TYR 60 HB1 TYR 60 -1.657 -9.535 4.416 424 HD1 TYR 60 HD1 TYR 60 -2.247 -7.815 2.664 425 HD2 TYR 60 HD2 TYR 60 1.106 -10.405 2.289 426 HE1 TYR 60 HE1 TYR 60 -2.183 -7.372 0.247 427 HE2 TYR 60 HE2 TYR 60 1.181 -9.968 -0.129 428 HH TYR 60 HH TYR 60 -0.414 -9.232 -1.915 429 H ALA 61 HN ALA 61 -2.327 -7.456 5.440 430 HA ALA 61 HA ALA 61 -2.143 -7.900 8.349 431 1HB ALA 61 HB1 ALA 61 -3.605 -5.808 6.759 432 2HB ALA 61 HB2 ALA 61 -2.390 -5.583 8.018 433 3HB ALA 61 HB3 ALA 61 -4.002 -6.160 8.441 434 H SER 62 HN SER 62 -4.181 -8.521 9.417 435 HA SER 62 HA SER 62 -5.501 -10.567 7.908 436 1HB SER 62 HB2 SER 62 -6.555 -9.897 10.586 437 2HB SER 62 HB1 SER 62 -6.088 -11.459 9.914 438 HG SER 62 HG SER 62 -3.855 -10.607 10.135 439 H SER 63 HN SER 63 -6.022 -7.991 6.891 440 HA SER 63 HA SER 63 -8.902 -7.726 7.430 441 1HB SER 63 HB2 SER 63 -7.726 -5.686 8.058 442 2HB SER 63 HB1 SER 63 -6.935 -5.624 6.483 443 HG SER 63 HG SER 63 -8.758 -4.241 6.594 444 H VAL 64 HN VAL 64 -6.399 -8.232 5.106 445 HA VAL 64 HA VAL 64 -8.333 -8.992 3.103 446 HB VAL 64 HB VAL 64 -7.368 -7.561 1.340 447 1HG1 VAL 64 HG11 VAL 64 -8.404 -5.903 3.632 448 2HG1 VAL 64 HG12 VAL 64 -9.421 -6.929 2.621 449 3HG1 VAL 64 HG13 VAL 64 -8.556 -5.569 1.906 450 1HG2 VAL 64 HG21 VAL 64 -5.541 -6.319 1.643 451 2HG2 VAL 64 HG22 VAL 64 -5.355 -7.119 3.205 452 3HG2 VAL 64 HG23 VAL 64 -6.205 -5.576 3.098 453 H ARG 65 HN ARG 65 -5.963 -10.037 4.724 454 HA ARG 65 HA ARG 65 -3.920 -10.599 2.854 455 1HB ARG 65 HB2 ARG 65 -3.264 -10.484 5.120 456 2HB ARG 65 HB1 ARG 65 -4.554 -11.560 5.632 457 1HG ARG 65 HG2 ARG 65 -3.433 -13.390 4.412 458 2HG ARG 65 HG1 ARG 65 -2.100 -12.291 4.070 459 1HD ARG 65 HD2 ARG 65 -1.274 -13.238 5.965 460 2HD ARG 65 HD1 ARG 65 -2.233 -11.958 6.708 461 HE ARG 65 HE ARG 65 -3.472 -13.592 7.683 462 1HH1 ARG 65 HH11 ARG 65 -2.110 -14.889 4.743 463 2HH1 ARG 65 HH12 ARG 65 -2.817 -16.455 4.959 464 1HH2 ARG 65 HH21 ARG 65 -4.403 -15.653 7.968 465 2HH2 ARG 65 HH22 ARG 65 -4.119 -16.889 6.788 466 H GLY 66 HN GLY 66 -4.981 -11.484 1.168 467 1HA GLY 66 HA2 GLY 66 -4.875 -14.077 0.628 468 2HA GLY 66 HA1 GLY 66 -6.412 -13.992 1.474 469 H ARG 67 HN ARG 67 -6.619 -11.158 0.270 470 HA ARG 67 HA ARG 67 -7.626 -12.048 -2.351 471 1HB ARG 67 HB2 ARG 67 -8.817 -9.574 -1.485 472 2HB ARG 67 HB1 ARG 67 -9.592 -11.100 -1.880 473 1HG ARG 67 HG2 ARG 67 -10.015 -11.515 0.256 474 2HG ARG 67 HG1 ARG 67 -8.350 -11.235 0.716 475 1HD ARG 67 HD2 ARG 67 -8.707 -9.043 1.241 476 2HD ARG 67 HD1 ARG 67 -10.033 -8.875 0.096 477 HE ARG 67 HE ARG 67 -11.413 -9.244 1.851 478 1HH1 ARG 67 HH11 ARG 67 -8.449 -10.976 2.509 479 2HH1 ARG 67 HH12 ARG 67 -9.028 -11.637 3.998 480 1HH2 ARG 67 HH21 ARG 67 -12.161 -10.107 3.811 481 2HH2 ARG 67 HH22 ARG 67 -11.129 -11.144 4.738 482 H PHE 68 HN PHE 68 -5.865 -9.557 -0.622 483 HA PHE 68 HA PHE 68 -5.496 -7.967 -3.025 484 1HB PHE 68 HB2 PHE 68 -4.670 -7.629 -0.149 485 2HB PHE 68 HB1 PHE 68 -4.043 -6.581 -1.415 486 HD1 PHE 68 HD1 PHE 68 -4.985 -4.529 -0.795 487 HD2 PHE 68 HD2 PHE 68 -7.482 -7.953 -1.191 488 HE1 PHE 68 HE1 PHE 68 -6.977 -3.099 -0.603 489 HE2 PHE 68 HE2 PHE 68 -9.474 -6.529 -1.001 490 HZ PHE 68 HZ PHE 68 -9.225 -4.097 -0.707 491 H THR 69 HN THR 69 -3.668 -7.846 -4.227 492 HA THR 69 HA THR 69 -1.498 -9.719 -3.540 493 HB THR 69 HB THR 69 -2.070 -8.519 -6.254 494 HG1 THR 69 HG1 THR 69 -3.049 -10.884 -5.063 495 1HG2 THR 69 HG21 THR 69 0.045 -9.391 -6.425 496 2HG2 THR 69 HG22 THR 69 -0.950 -10.767 -6.900 497 3HG2 THR 69 HG23 THR 69 -0.278 -10.685 -5.272 498 H ILE 70 HN ILE 70 0.659 -9.114 -3.915 499 HA ILE 70 HA ILE 70 1.217 -6.250 -4.173 500 HB ILE 70 HB ILE 70 0.972 -6.739 -1.794 501 1HG1 ILE 70 HG12 ILE 70 2.570 -5.009 -2.582 502 2HG1 ILE 70 HG11 ILE 70 3.013 -5.711 -1.031 503 1HG2 ILE 70 HG21 ILE 70 2.486 -8.224 -0.634 504 2HG2 ILE 70 HG22 ILE 70 3.292 -8.620 -2.153 505 3HG2 ILE 70 HG23 ILE 70 1.610 -9.100 -1.896 506 1HD1 ILE 70 HD11 ILE 70 5.037 -5.885 -1.936 507 2HD1 ILE 70 HD12 ILE 70 4.416 -5.730 -3.579 508 3HD1 ILE 70 HD13 ILE 70 4.376 -7.293 -2.767 509 H SER 71 HN SER 71 3.039 -5.804 -5.255 510 HA SER 71 HA SER 71 5.147 -7.768 -5.547 511 1HB SER 71 HB2 SER 71 3.122 -7.412 -7.581 512 2HB SER 71 HB1 SER 71 4.709 -6.966 -8.206 513 HG SER 71 HG SER 71 5.461 -9.015 -7.471 514 H ARG 72 HN ARG 72 6.811 -6.780 -7.261 515 HA ARG 72 HA ARG 72 6.995 -3.880 -6.793 516 1HB ARG 72 HB2 ARG 72 9.400 -5.690 -6.692 517 2HB ARG 72 HB1 ARG 72 9.279 -4.013 -6.183 518 1HG ARG 72 HG2 ARG 72 8.757 -4.623 -4.123 519 2HG ARG 72 HG1 ARG 72 7.408 -5.598 -4.707 520 1HD ARG 72 HD2 ARG 72 10.271 -6.423 -4.306 521 2HD ARG 72 HD1 ARG 72 8.828 -7.079 -3.534 522 HE ARG 72 HE ARG 72 8.440 -7.559 -6.187 523 1HH1 ARG 72 HH11 ARG 72 10.981 -8.313 -3.916 524 2HH1 ARG 72 HH12 ARG 72 11.446 -9.770 -4.728 525 1HH2 ARG 72 HH21 ARG 72 9.051 -9.475 -7.257 526 2HH2 ARG 72 HH22 ARG 72 10.349 -10.432 -6.625 527 H ASP 73 HN ASP 73 8.696 -2.858 -8.227 528 HA ASP 73 HA ASP 73 8.197 -3.680 -10.942 529 1HB ASP 73 HB2 ASP 73 8.185 -1.316 -10.463 530 2HB ASP 73 HB1 ASP 73 9.801 -1.400 -9.778 531 H ASN 74 HN ASN 74 10.924 -3.671 -8.718 532 HA ASN 74 HA ASN 74 12.947 -4.709 -8.773 533 1HB ASN 74 HB2 ASN 74 11.228 -6.372 -10.485 534 2HB ASN 74 HB1 ASN 74 12.950 -6.545 -10.808 535 1HD2 ASN 74 HD21 ASN 74 14.033 -7.923 -9.601 536 2HD2 ASN 74 HD22 ASN 74 13.520 -8.558 -8.078 537 H ALA 75 HN ALA 75 12.568 -2.302 -10.263 538 HA ALA 75 HA ALA 75 14.712 -2.637 -12.233 539 1HB ALA 75 HB1 ALA 75 12.689 -0.588 -12.871 540 2HB ALA 75 HB2 ALA 75 12.184 -2.267 -13.062 541 3HB ALA 75 HB3 ALA 75 13.592 -1.665 -13.937 542 H LYS 76 HN LYS 76 12.819 -0.292 -10.347 543 HA LYS 76 HA LYS 76 15.311 1.200 -9.879 544 1HB LYS 76 HB2 LYS 76 13.317 2.154 -11.467 545 2HB LYS 76 HB1 LYS 76 12.828 2.792 -9.903 546 1HG LYS 76 HG2 LYS 76 14.932 3.922 -9.646 547 2HG LYS 76 HG1 LYS 76 15.556 3.175 -11.118 548 1HD LYS 76 HD2 LYS 76 13.832 4.336 -12.424 549 2HD LYS 76 HD1 LYS 76 13.232 5.094 -10.947 550 1HE LYS 76 HE2 LYS 76 14.774 6.499 -12.379 551 2HE LYS 76 HE1 LYS 76 15.206 6.356 -10.675 552 1HZ LYS 76 HZ1 LYS 76 17.053 5.174 -11.149 553 2HZ LYS 76 HZ2 LYS 76 16.938 5.975 -12.634 554 3HZ LYS 76 HZ3 LYS 76 16.367 4.390 -12.483 555 H LYS 77 HN LYS 77 11.914 1.242 -8.784 556 HA LYS 77 HA LYS 77 12.168 0.222 -6.297 557 1HB LYS 77 HB2 LYS 77 13.364 2.887 -6.443 558 2HB LYS 77 HB1 LYS 77 12.138 2.753 -5.190 559 1HG LYS 77 HG2 LYS 77 13.655 0.456 -4.893 560 2HG LYS 77 HG1 LYS 77 14.835 1.714 -5.262 561 1HD LYS 77 HD2 LYS 77 12.739 1.844 -3.095 562 2HD LYS 77 HD1 LYS 77 14.454 1.510 -2.850 563 1HE LYS 77 HE2 LYS 77 14.744 3.783 -4.140 564 2HE LYS 77 HE1 LYS 77 13.095 4.061 -3.581 565 1HZ LYS 77 HZ1 LYS 77 13.745 4.131 -1.406 566 2HZ LYS 77 HZ2 LYS 77 15.126 4.778 -2.138 567 3HZ LYS 77 HZ3 LYS 77 15.109 3.159 -1.647 568 H THR 78 HN THR 78 10.093 -0.196 -7.473 569 HA THR 78 HA THR 78 8.060 1.687 -6.504 570 HB THR 78 HB THR 78 8.043 0.396 -9.237 571 HG1 THR 78 HG1 THR 78 9.466 2.242 -8.927 572 1HG2 THR 78 HG21 THR 78 6.097 1.810 -9.681 573 2HG2 THR 78 HG22 THR 78 6.091 2.318 -7.993 574 3HG2 THR 78 HG23 THR 78 5.784 0.631 -8.407 575 H VAL 79 HN VAL 79 6.148 0.779 -5.835 576 HA VAL 79 HA VAL 79 6.092 -2.166 -5.728 577 HB VAL 79 HB VAL 79 4.856 -1.997 -3.634 578 1HG1 VAL 79 HG11 VAL 79 7.374 -2.067 -3.719 579 2HG1 VAL 79 HG12 VAL 79 6.676 -1.444 -2.224 580 3HG1 VAL 79 HG13 VAL 79 7.349 -0.330 -3.414 581 1HG2 VAL 79 HG21 VAL 79 3.685 -0.079 -3.411 582 2HG2 VAL 79 HG22 VAL 79 4.866 0.870 -4.315 583 3HG2 VAL 79 HG23 VAL 79 5.155 0.488 -2.618 584 H TYR 80 HN TYR 80 4.109 -3.208 -6.021 585 HA TYR 80 HA TYR 80 1.864 -1.534 -6.873 586 1HB TYR 80 HB2 TYR 80 2.700 -3.969 -8.430 587 2HB TYR 80 HB1 TYR 80 1.519 -2.748 -8.882 588 HD1 TYR 80 HD1 TYR 80 2.147 -1.094 -10.351 589 HD2 TYR 80 HD2 TYR 80 5.132 -3.074 -8.059 590 HE1 TYR 80 HE1 TYR 80 3.890 0.131 -11.574 591 HE2 TYR 80 HE2 TYR 80 6.881 -1.854 -9.270 592 HH TYR 80 HH TYR 80 6.160 0.781 -11.384 593 H LEU 81 HN LEU 81 -0.029 -2.173 -6.021 594 HA LEU 81 HA LEU 81 -0.209 -4.931 -5.034 595 1HB LEU 81 HB2 LEU 81 -0.582 -4.250 -2.953 596 2HB LEU 81 HB1 LEU 81 -0.140 -2.637 -3.465 597 HG LEU 81 HG LEU 81 -2.984 -3.462 -3.812 598 1HD1 LEU 81 HD11 LEU 81 -3.236 -2.505 -1.393 599 2HD1 LEU 81 HD12 LEU 81 -1.594 -3.121 -1.203 600 3HD1 LEU 81 HD13 LEU 81 -2.901 -4.217 -1.652 601 1HD2 LEU 81 HD21 LEU 81 -1.384 -1.021 -3.646 602 2HD2 LEU 81 HD22 LEU 81 -2.879 -0.966 -2.711 603 3HD2 LEU 81 HD23 LEU 81 -2.932 -1.313 -4.439 604 H GLN 82 HN GLN 82 -1.766 -6.044 -5.912 605 HA GLN 82 HA GLN 82 -3.885 -4.689 -7.380 606 1HB GLN 82 HB2 GLN 82 -2.360 -6.713 -8.141 607 2HB GLN 82 HB1 GLN 82 -3.603 -7.639 -7.321 608 1HG GLN 82 HG2 GLN 82 -5.299 -6.814 -8.766 609 2HG GLN 82 HG1 GLN 82 -4.197 -5.635 -9.474 610 1HE2 GLN 82 HE21 GLN 82 -5.191 -8.946 -9.396 611 2HE2 GLN 82 HE22 GLN 82 -4.288 -9.470 -10.772 612 H MET 83 HN MET 83 -5.441 -4.076 -5.940 613 HA MET 83 HA MET 83 -6.295 -5.827 -3.821 614 1HB MET 83 HB2 MET 83 -7.715 -3.333 -4.726 615 2HB MET 83 HB1 MET 83 -7.719 -4.070 -3.132 616 1HG MET 83 HG2 MET 83 -5.864 -3.033 -2.509 617 2HG MET 83 HG1 MET 83 -5.068 -3.306 -4.054 618 1HE MET 83 HE1 MET 83 -8.301 -0.161 -3.494 619 2HE MET 83 HE2 MET 83 -7.280 -0.351 -2.068 620 3HE MET 83 HE3 MET 83 -8.167 -1.735 -2.709 621 H ASN 84 HN ASN 84 -7.061 -7.671 -4.921 622 HA ASN 84 HA ASN 84 -9.268 -7.371 -6.769 623 1HB ASN 84 HB2 ASN 84 -8.668 -10.097 -5.925 624 2HB ASN 84 HB1 ASN 84 -8.701 -9.394 -7.530 625 1HD2 ASN 84 HD21 ASN 84 -6.812 -11.162 -5.827 626 2HD2 ASN 84 HD22 ASN 84 -5.255 -10.503 -6.183 627 H SER 85 HN SER 85 -11.057 -9.129 -6.410 628 HA SER 85 HA SER 85 -13.065 -9.308 -5.275 629 1HB SER 85 HB2 SER 85 -11.264 -11.170 -4.568 630 2HB SER 85 HB1 SER 85 -11.584 -10.468 -2.982 631 HG SER 85 HG SER 85 -13.520 -11.504 -4.782 632 H LEU 86 HN LEU 86 -12.366 -6.734 -4.916 633 HA LEU 86 HA LEU 86 -11.945 -5.842 -2.311 634 1HB LEU 86 HB2 LEU 86 -12.618 -4.692 -4.840 635 2HB LEU 86 HB1 LEU 86 -13.644 -3.981 -3.608 636 HG LEU 86 HG LEU 86 -11.574 -3.450 -2.294 637 1HD1 LEU 86 HD11 LEU 86 -9.690 -3.432 -4.386 638 2HD1 LEU 86 HD12 LEU 86 -10.382 -5.054 -4.333 639 3HD1 LEU 86 HD13 LEU 86 -9.648 -4.361 -2.888 640 1HD2 LEU 86 HD21 LEU 86 -12.818 -1.954 -4.038 641 2HD2 LEU 86 HD22 LEU 86 -11.340 -2.165 -4.977 642 3HD2 LEU 86 HD23 LEU 86 -11.269 -1.439 -3.371 643 H LYS 87 HN LYS 87 -13.529 -4.598 -0.995 644 HA LYS 87 HA LYS 87 -16.259 -5.619 -1.079 645 1HB LYS 87 HB2 LYS 87 -14.225 -6.282 0.975 646 2HB LYS 87 HB1 LYS 87 -15.833 -5.889 1.566 647 1HG LYS 87 HG2 LYS 87 -16.348 -8.018 1.204 648 2HG LYS 87 HG1 LYS 87 -16.315 -7.631 -0.517 649 1HD LYS 87 HD2 LYS 87 -14.900 -9.485 -0.314 650 2HD LYS 87 HD1 LYS 87 -13.803 -8.105 -0.387 651 1HE LYS 87 HE2 LYS 87 -13.284 -9.844 1.370 652 2HE LYS 87 HE1 LYS 87 -13.399 -8.179 1.938 653 1HZ LYS 87 HZ1 LYS 87 -15.785 -9.891 2.026 654 2HZ LYS 87 HZ2 LYS 87 -15.363 -8.587 3.017 655 3HZ LYS 87 HZ3 LYS 87 -14.594 -10.081 3.213 656 HA PRO 88 HA PRO 88 -17.380 -1.645 0.441 657 1HB PRO 88 HB2 PRO 88 -19.274 -2.115 2.326 658 2HB PRO 88 HB1 PRO 88 -19.561 -2.338 0.597 659 1HG PRO 88 HG2 PRO 88 -18.891 -4.377 2.684 660 2HG PRO 88 HG1 PRO 88 -20.086 -4.466 1.376 661 1HD PRO 88 HD2 PRO 88 -17.662 -5.654 1.211 662 2HD PRO 88 HD1 PRO 88 -18.498 -4.997 -0.209 663 H GLU 89 HN GLU 89 -15.636 -3.658 2.370 664 HA GLU 89 HA GLU 89 -15.613 -1.865 4.680 665 1HB GLU 89 HB2 GLU 89 -14.579 -4.652 4.218 666 2HB GLU 89 HB1 GLU 89 -14.050 -3.700 5.598 667 1HG GLU 89 HG2 GLU 89 -15.812 -5.074 6.350 668 2HG GLU 89 HG1 GLU 89 -16.463 -3.441 6.222 669 H ASP 90 HN ASP 90 -13.811 -2.671 1.870 670 HA ASP 90 HA ASP 90 -11.273 -1.750 2.826 671 1HB ASP 90 HB2 ASP 90 -12.165 -2.179 -0.028 672 2HB ASP 90 HB1 ASP 90 -10.516 -2.128 0.577 673 H THR 91 HN THR 91 -14.094 -0.300 1.473 674 HA THR 91 HA THR 91 -13.134 1.895 0.129 675 HB THR 91 HB THR 91 -15.519 1.656 1.956 676 HG1 THR 91 HG1 THR 91 -15.318 0.240 0.073 677 1HG2 THR 91 HG21 THR 91 -15.974 3.439 -0.211 678 2HG2 THR 91 HG22 THR 91 -14.559 3.985 0.690 679 3HG2 THR 91 HG23 THR 91 -16.096 3.744 1.522 680 H ALA 92 HN ALA 92 -11.411 3.017 0.891 681 HA ALA 92 HA ALA 92 -11.795 4.868 3.008 682 1HB ALA 92 HB1 ALA 92 -11.417 2.958 4.433 683 2HB ALA 92 HB2 ALA 92 -10.029 4.042 4.525 684 3HB ALA 92 HB3 ALA 92 -9.933 2.565 3.566 685 H VAL 93 HN VAL 93 -9.520 5.883 3.606 686 HA VAL 93 HA VAL 93 -8.371 6.692 1.099 687 HB VAL 93 HB VAL 93 -8.886 8.223 3.030 688 1HG1 VAL 93 HG11 VAL 93 -6.252 7.486 4.208 689 2HG1 VAL 93 HG12 VAL 93 -7.689 6.566 4.654 690 3HG1 VAL 93 HG13 VAL 93 -7.628 8.305 4.946 691 1HG2 VAL 93 HG21 VAL 93 -7.673 9.410 1.550 692 2HG2 VAL 93 HG22 VAL 93 -6.442 8.156 1.398 693 3HG2 VAL 93 HG23 VAL 93 -6.403 9.268 2.766 694 H TYR 94 HN TYR 94 -7.048 5.194 0.196 695 HA TYR 94 HA TYR 94 -5.238 3.633 1.782 696 1HB TYR 94 HB2 TYR 94 -6.154 3.723 -1.022 697 2HB TYR 94 HB1 TYR 94 -4.515 3.146 -0.776 698 HD1 TYR 94 HD1 TYR 94 -7.844 2.681 0.854 699 HD2 TYR 94 HD2 TYR 94 -4.304 0.850 -0.635 700 HE1 TYR 94 HE1 TYR 94 -8.731 0.476 1.478 701 HE2 TYR 94 HE2 TYR 94 -5.182 -1.362 -0.017 702 HH TYR 94 HH TYR 94 -8.233 -2.043 0.535 703 H THR 95 HN THR 95 -3.606 4.790 2.656 704 HA THR 95 HA THR 95 -2.121 6.625 0.916 705 HB THR 95 HB THR 95 -3.036 7.413 3.134 706 HG1 THR 95 HG1 THR 95 -1.131 8.293 1.960 707 1HG2 THR 95 HG21 THR 95 -2.369 5.331 4.394 708 2HG2 THR 95 HG22 THR 95 -1.983 6.873 5.159 709 3HG2 THR 95 HG23 THR 95 -0.718 5.949 4.348 710 H CYS 96 HN CYS 96 -0.204 6.093 0.144 711 HA CYS 96 HA CYS 96 1.027 3.599 0.923 712 1HB CYS 96 HB2 CYS 96 0.968 4.211 -1.440 713 2HB CYS 96 HB1 CYS 96 1.857 5.692 -1.101 714 H GLY 97 HN GLY 97 2.861 3.341 2.122 715 1HA GLY 97 HA2 GLY 97 4.357 5.746 2.883 716 2HA GLY 97 HA1 GLY 97 3.663 4.755 4.155 717 H ALA 98 HN ALA 98 6.200 5.077 4.423 718 HA ALA 98 HA ALA 98 7.366 2.499 3.666 719 1HB ALA 98 HB1 ALA 98 9.584 3.838 3.419 720 2HB ALA 98 HB2 ALA 98 8.511 5.199 3.096 721 3HB ALA 98 HB3 ALA 98 8.451 3.767 2.069 722 H GLY 99 HN GLY 99 9.389 2.075 4.977 723 1HA GLY 99 HA2 GLY 99 9.099 3.295 7.652 724 2HA GLY 99 HA1 GLY 99 9.304 1.565 7.442 725 H GLU 100 HN GLU 100 10.982 2.791 9.094 726 HA GLU 100 HA GLU 100 13.527 2.385 7.819 727 1HB GLU 100 HB2 GLU 100 13.243 4.723 7.306 728 2HB GLU 100 HB1 GLU 100 12.758 5.077 8.959 729 1HG GLU 100 HG2 GLU 100 14.937 4.699 9.778 730 2HG GLU 100 HG1 GLU 100 15.464 3.997 8.249 731 H GLY 101 HN GLY 101 14.918 1.480 9.234 732 1HA GLY 101 HA2 GLY 101 15.770 0.663 11.186 733 2HA GLY 101 HA1 GLY 101 15.077 2.071 11.975 734 H GLY 102 HN GLY 102 12.783 0.198 10.290 735 1HA GLY 102 HA2 GLY 102 11.601 -1.737 11.089 736 2HA GLY 102 HA1 GLY 102 12.119 -1.327 12.716 737 H THR 103 HN THR 103 11.341 1.588 11.640 738 HA THR 103 HA THR 103 8.593 1.372 12.632 739 HB THR 103 HB THR 103 10.208 3.871 12.234 740 HG1 THR 103 HG1 THR 103 10.829 3.632 14.423 741 1HG2 THR 103 HG21 THR 103 8.791 4.302 14.467 742 2HG2 THR 103 HG22 THR 103 7.685 3.236 13.602 743 3HG2 THR 103 HG23 THR 103 8.229 4.737 12.853 744 H TRP 104 HN TRP 104 7.243 3.355 11.678 745 HA TRP 104 HA TRP 104 7.613 3.515 8.777 746 1HB TRP 104 HB2 TRP 104 5.018 2.783 10.147 747 2HB TRP 104 HB1 TRP 104 5.194 3.127 8.429 748 HD1 TRP 104 HD1 TRP 104 6.001 0.460 11.049 749 HE1 TRP 104 HE1 TRP 104 6.554 -1.743 9.838 750 HE3 TRP 104 HE3 TRP 104 6.090 2.177 6.226 751 HZ2 TRP 104 HZ2 TRP 104 6.971 -2.636 7.196 752 HZ3 TRP 104 HZ3 TRP 104 6.579 0.575 4.416 753 HH2 TRP 104 HH2 TRP 104 7.006 -1.778 4.897 754 H ASP 105 HN ASP 105 8.303 5.663 9.128 755 HA ASP 105 HA ASP 105 6.190 7.504 10.014 756 1HB ASP 105 HB2 ASP 105 8.196 7.552 11.414 757 2HB ASP 105 HB1 ASP 105 9.160 7.943 10.001 758 H SER 106 HN SER 106 6.865 6.287 7.291 759 HA SER 106 HA SER 106 7.125 8.825 5.816 760 1HB SER 106 HB2 SER 106 8.517 6.347 5.518 761 2HB SER 106 HB1 SER 106 7.538 6.607 4.075 762 HG SER 106 HG SER 106 8.502 8.697 3.925 763 H TRP 107 HN TRP 107 5.501 9.434 4.510 764 HA TRP 107 HA TRP 107 3.479 7.463 3.730 765 1HB TRP 107 HB2 TRP 107 2.698 10.163 4.826 766 2HB TRP 107 HB1 TRP 107 1.651 8.795 4.471 767 HD1 TRP 107 HD1 TRP 107 4.077 10.100 7.111 768 HE1 TRP 107 HE1 TRP 107 3.784 8.716 9.261 769 HE3 TRP 107 HE3 TRP 107 0.933 6.489 5.327 770 HZ2 TRP 107 HZ2 TRP 107 2.400 6.398 10.091 771 HZ3 TRP 107 HZ3 TRP 107 0.170 4.725 6.862 772 HH2 TRP 107 HH2 TRP 107 0.889 4.681 9.194 773 H GLY 108 HN GLY 108 1.989 8.322 2.048 774 1HA GLY 108 HA2 GLY 108 3.488 10.107 0.241 775 2HA GLY 108 HA1 GLY 108 2.365 8.862 -0.282 776 H GLN 109 HN GLN 109 0.991 10.129 -1.454 777 HA GLN 109 HA GLN 109 -0.150 12.512 -0.240 778 1HB GLN 109 HB2 GLN 109 0.586 12.336 -2.678 779 2HB GLN 109 HB1 GLN 109 -0.855 11.363 -2.929 780 1HG GLN 109 HG2 GLN 109 -2.031 13.207 -3.218 781 2HG GLN 109 HG1 GLN 109 -1.670 13.683 -1.559 782 1HE2 GLN 109 HE21 GLN 109 -0.624 15.519 -1.289 783 2HE2 GLN 109 HE22 GLN 109 0.301 16.348 -2.489 784 H GLY 110 HN GLY 110 -1.085 9.261 -1.178 785 1HA GLY 110 HA2 GLY 110 -2.783 8.067 -0.018 786 2HA GLY 110 HA1 GLY 110 -3.551 9.594 0.377 787 H THR 111 HN THR 111 -4.704 7.187 -0.789 788 HA THR 111 HA THR 111 -5.995 8.466 -3.064 789 HB THR 111 HB THR 111 -4.120 7.023 -3.951 790 HG1 THR 111 HG1 THR 111 -5.340 6.735 -5.624 791 1HG2 THR 111 HG21 THR 111 -5.686 4.576 -3.639 792 2HG2 THR 111 HG22 THR 111 -4.906 5.141 -2.162 793 3HG2 THR 111 HG23 THR 111 -3.941 4.827 -3.604 794 H GLN 112 HN GLN 112 -8.086 8.455 -2.546 795 HA GLN 112 HA GLN 112 -9.149 6.632 -0.629 796 1HB GLN 112 HB2 GLN 112 -9.784 9.154 -1.579 797 2HB GLN 112 HB1 GLN 112 -11.086 8.153 -2.163 798 1HG GLN 112 HG2 GLN 112 -10.384 7.717 0.643 799 2HG GLN 112 HG1 GLN 112 -10.986 9.334 0.276 800 1HE2 GLN 112 HE21 GLN 112 -11.732 6.064 -0.813 801 2HE2 GLN 112 HE22 GLN 112 -13.423 6.173 -0.562 802 H VAL 113 HN VAL 113 -10.267 4.812 -0.940 803 HA VAL 113 HA VAL 113 -10.853 4.002 -3.707 804 HB VAL 113 HB VAL 113 -10.262 2.363 -1.243 805 1HG1 VAL 113 HG11 VAL 113 -10.484 0.380 -2.727 806 2HG1 VAL 113 HG12 VAL 113 -11.145 1.434 -3.977 807 3HG1 VAL 113 HG13 VAL 113 -12.008 1.223 -2.453 808 1HG2 VAL 113 HG21 VAL 113 -8.487 3.505 -2.879 809 2HG2 VAL 113 HG22 VAL 113 -8.779 2.016 -3.779 810 3HG2 VAL 113 HG23 VAL 113 -8.211 1.941 -2.111 811 H THR 114 HN THR 114 -12.945 3.873 -4.243 812 HA THR 114 HA THR 114 -14.927 3.730 -2.080 813 HB THR 114 HB THR 114 -15.135 4.954 -4.834 814 HG1 THR 114 HG1 THR 114 -14.005 6.153 -3.195 815 1HG2 THR 114 HG21 THR 114 -17.306 5.895 -3.860 816 2HG2 THR 114 HG22 THR 114 -17.219 4.547 -2.725 817 3HG2 THR 114 HG23 THR 114 -17.314 4.236 -4.458 818 H VAL 115 HN VAL 115 -15.921 1.844 -1.897 819 HA VAL 115 HA VAL 115 -16.430 0.269 -4.333 820 HB VAL 115 HB VAL 115 -16.311 -1.172 -1.743 821 1HG1 VAL 115 HG11 VAL 115 -16.406 -1.820 -4.456 822 2HG1 VAL 115 HG12 VAL 115 -16.195 -2.928 -3.101 823 3HG1 VAL 115 HG13 VAL 115 -14.784 -2.269 -3.929 824 1HG2 VAL 115 HG21 VAL 115 -13.918 -1.344 -1.685 825 2HG2 VAL 115 HG22 VAL 115 -14.350 0.365 -1.641 826 3HG2 VAL 115 HG23 VAL 115 -13.765 -0.357 -3.139 827 H SER 116 HN SER 116 -18.113 -1.636 -3.282 828 HA SER 116 HA SER 116 -20.160 -0.507 -1.656 829 1HB SER 116 HB2 SER 116 -21.933 -0.437 -3.389 830 2HB SER 116 HB1 SER 116 -20.660 0.748 -3.681 831 HG SER 116 HG SER 116 -21.494 -0.809 -5.450 832 H SER 117 HN SER 117 -20.816 -2.592 -4.417 833 HA SER 117 HA SER 117 -20.344 -5.077 -3.255 834 1HB SER 117 HB2 SER 117 -22.935 -3.817 -2.499 835 2HB SER 117 HB1 SER 117 -22.953 -5.533 -2.902 836 HG SER 117 HG SER 117 -22.107 -5.908 -1.029 Start of MODEL 2 1 1H GLN 1 HT1 GLN 1 14.958 14.114 4.114 2 2H GLN 1 HT2 GLN 1 14.256 14.132 5.681 3 3H GLN 1 HT3 GLN 1 13.306 14.531 4.307 4 HA GLN 1 HA GLN 1 14.567 11.916 4.772 5 1HB GLN 1 HB2 GLN 1 12.402 11.155 5.507 6 2HB GLN 1 HB1 GLN 1 12.854 12.550 6.475 7 1HG GLN 1 HG2 GLN 1 11.430 13.964 5.035 8 2HG GLN 1 HG1 GLN 1 10.921 12.515 4.169 9 1HE2 GLN 1 HE21 GLN 1 10.585 10.723 6.186 10 2HE2 GLN 1 HE22 GLN 1 9.310 11.238 7.232 11 H VAL 2 HN VAL 2 12.407 10.522 3.662 12 HA VAL 2 HA VAL 2 12.653 11.311 0.842 13 HB VAL 2 HB VAL 2 11.629 8.740 0.834 14 1HG1 VAL 2 HG11 VAL 2 13.262 8.635 -0.658 15 2HG1 VAL 2 HG12 VAL 2 14.448 8.556 0.645 16 3HG1 VAL 2 HG13 VAL 2 13.966 10.118 -0.014 17 1HG2 VAL 2 HG21 VAL 2 13.643 8.991 3.059 18 2HG2 VAL 2 HG22 VAL 2 13.242 7.468 2.265 19 3HG2 VAL 2 HG23 VAL 2 12.002 8.351 3.156 20 H GLN 3 HN GLN 3 10.803 10.908 -0.565 21 HA GLN 3 HA GLN 3 8.236 11.140 0.865 22 1HB GLN 3 HB2 GLN 3 9.289 12.678 -1.490 23 2HB GLN 3 HB1 GLN 3 7.558 12.501 -1.237 24 1HG GLN 3 HG2 GLN 3 9.360 13.547 0.915 25 2HG GLN 3 HG1 GLN 3 8.696 14.597 -0.335 26 1HE2 GLN 3 HE21 GLN 3 8.261 13.661 2.723 27 2HE2 GLN 3 HE22 GLN 3 6.550 13.846 2.872 28 H LEU 4 HN LEU 4 6.337 10.540 -0.488 29 HA LEU 4 HA LEU 4 6.925 8.613 -2.606 30 1HB LEU 4 HB2 LEU 4 5.177 7.945 -0.238 31 2HB LEU 4 HB1 LEU 4 5.516 6.905 -1.608 32 HG LEU 4 HG LEU 4 8.030 7.555 -0.566 33 1HD1 LEU 4 HD11 LEU 4 6.304 6.624 1.703 34 2HD1 LEU 4 HD12 LEU 4 6.664 8.331 1.448 35 3HD1 LEU 4 HD13 LEU 4 7.975 7.188 1.742 36 1HD2 LEU 4 HD21 LEU 4 8.280 5.279 -0.391 37 2HD2 LEU 4 HD22 LEU 4 6.923 5.382 -1.514 38 3HD2 LEU 4 HD23 LEU 4 6.633 5.033 0.191 39 H GLN 5 HN GLN 5 4.609 7.669 -3.325 40 HA GLN 5 HA GLN 5 2.397 9.439 -3.128 41 1HB GLN 5 HB2 GLN 5 2.383 10.298 -5.417 42 2HB GLN 5 HB1 GLN 5 3.812 10.845 -4.552 43 1HG GLN 5 HG2 GLN 5 4.841 8.668 -5.676 44 2HG GLN 5 HG1 GLN 5 3.570 9.000 -6.851 45 1HE2 GLN 5 HE21 GLN 5 6.360 9.114 -7.340 46 2HE2 GLN 5 HE22 GLN 5 6.754 10.744 -7.757 47 H GLU 6 HN GLU 6 0.675 8.854 -4.794 48 HA GLU 6 HA GLU 6 0.886 5.993 -5.474 49 1HB GLU 6 HB2 GLU 6 -1.851 6.653 -5.197 50 2HB GLU 6 HB1 GLU 6 -0.891 5.584 -4.186 51 1HG GLU 6 HG2 GLU 6 -0.971 8.549 -3.742 52 2HG GLU 6 HG1 GLU 6 -2.164 7.457 -3.041 53 H SER 7 HN SER 7 -0.611 5.307 -7.228 54 HA SER 7 HA SER 7 -1.724 7.243 -8.992 55 1HB SER 7 HB2 SER 7 -0.191 7.247 -10.773 56 2HB SER 7 HB1 SER 7 0.833 7.407 -9.346 57 HG SER 7 HG SER 7 0.343 5.082 -10.888 58 H GLY 8 HN GLY 8 -3.341 6.276 -10.028 59 1HA GLY 8 HA2 GLY 8 -4.030 4.504 -11.568 60 2HA GLY 8 HA1 GLY 8 -3.106 3.383 -10.581 61 H GLY 9 HN GLY 9 -4.063 4.538 -8.058 62 1HA GLY 9 HA2 GLY 9 -6.204 2.875 -7.554 63 2HA GLY 9 HA1 GLY 9 -5.762 4.253 -6.564 64 H GLY 10 HN GLY 10 -8.283 3.855 -6.481 65 1HA GLY 10 HA2 GLY 10 -9.691 5.998 -7.020 66 2HA GLY 10 HA1 GLY 10 -9.637 5.292 -8.628 67 H LEU 11 HN LEU 11 -11.935 5.180 -8.503 68 HA LEU 11 HA LEU 11 -13.284 3.665 -6.566 69 1HB LEU 11 HB2 LEU 11 -14.172 4.381 -9.350 70 2HB LEU 11 HB1 LEU 11 -15.211 3.839 -8.042 71 HG LEU 11 HG LEU 11 -13.736 6.051 -7.087 72 1HD1 LEU 11 HD11 LEU 11 -14.798 6.388 -9.865 73 2HD1 LEU 11 HD12 LEU 11 -13.270 6.940 -9.179 74 3HD1 LEU 11 HD13 LEU 11 -14.776 7.745 -8.738 75 1HD2 LEU 11 HD21 LEU 11 -16.261 5.063 -6.882 76 2HD2 LEU 11 HD22 LEU 11 -16.529 6.507 -7.858 77 3HD2 LEU 11 HD23 LEU 11 -15.748 6.640 -6.283 78 H VAL 12 HN VAL 12 -14.118 1.576 -6.651 79 HA VAL 12 HA VAL 12 -13.436 -0.112 -8.928 80 HB VAL 12 HB VAL 12 -11.486 -0.316 -7.489 81 1HG1 VAL 12 HG11 VAL 12 -13.454 -1.164 -5.368 82 2HG1 VAL 12 HG12 VAL 12 -12.445 0.282 -5.358 83 3HG1 VAL 12 HG13 VAL 12 -11.702 -1.312 -5.235 84 1HG2 VAL 12 HG21 VAL 12 -12.883 -2.359 -8.592 85 2HG2 VAL 12 HG22 VAL 12 -12.754 -2.904 -6.920 86 3HG2 VAL 12 HG23 VAL 12 -11.297 -2.530 -7.840 87 H GLN 13 HN GLN 13 -14.964 -1.609 -9.330 88 HA GLN 13 HA GLN 13 -17.410 -1.580 -7.990 89 1HB GLN 13 HB2 GLN 13 -16.415 -3.821 -9.705 90 2HB GLN 13 HB1 GLN 13 -18.062 -3.281 -9.484 91 1HG GLN 13 HG2 GLN 13 -16.524 -1.111 -10.483 92 2HG GLN 13 HG1 GLN 13 -16.231 -2.531 -11.486 93 1HE2 GLN 13 HE21 GLN 13 -18.690 -3.776 -11.311 94 2HE2 GLN 13 HE22 GLN 13 -19.878 -2.800 -12.099 95 H ALA 14 HN ALA 14 -18.153 -2.644 -6.266 96 HA ALA 14 HA ALA 14 -16.563 -3.982 -4.473 97 1HB ALA 14 HB1 ALA 14 -19.369 -3.434 -4.775 98 2HB ALA 14 HB2 ALA 14 -18.416 -3.628 -3.304 99 3HB ALA 14 HB3 ALA 14 -19.120 -5.040 -4.090 100 H GLY 15 HN GLY 15 -15.722 -5.969 -4.331 101 1HA GLY 15 HA2 GLY 15 -15.685 -8.306 -4.539 102 2HA GLY 15 HA1 GLY 15 -17.016 -8.205 -5.682 103 H GLY 16 HN GLY 16 -14.925 -5.924 -6.725 104 1HA GLY 16 HA2 GLY 16 -13.848 -7.736 -8.747 105 2HA GLY 16 HA1 GLY 16 -13.874 -5.981 -8.832 106 H SER 17 HN SER 17 -11.728 -5.692 -9.314 107 HA SER 17 HA SER 17 -9.890 -6.154 -7.094 108 1HB SER 17 HB2 SER 17 -9.841 -7.758 -9.375 109 2HB SER 17 HB1 SER 17 -8.541 -6.597 -9.628 110 HG SER 17 HG SER 17 -7.538 -7.309 -7.833 111 H LEU 18 HN LEU 18 -8.354 -4.598 -6.833 112 HA LEU 18 HA LEU 18 -8.240 -2.457 -8.846 113 1HB LEU 18 HB2 LEU 18 -9.673 -1.727 -7.011 114 2HB LEU 18 HB1 LEU 18 -8.417 -2.120 -5.851 115 HG LEU 18 HG LEU 18 -7.042 -0.399 -7.354 116 1HD1 LEU 18 HD11 LEU 18 -9.596 1.067 -7.392 117 2HD1 LEU 18 HD12 LEU 18 -9.407 -0.190 -8.615 118 3HD1 LEU 18 HD13 LEU 18 -8.234 1.123 -8.511 119 1HD2 LEU 18 HD21 LEU 18 -7.064 0.098 -5.125 120 2HD2 LEU 18 HD22 LEU 18 -8.816 -0.047 -4.996 121 3HD2 LEU 18 HD23 LEU 18 -8.101 1.391 -5.726 122 H ARG 19 HN ARG 19 -6.235 -1.547 -9.185 123 HA ARG 19 HA ARG 19 -4.016 -2.708 -7.632 124 1HB ARG 19 HB2 ARG 19 -4.233 -3.593 -9.963 125 2HB ARG 19 HB1 ARG 19 -3.943 -1.964 -10.553 126 1HG ARG 19 HG2 ARG 19 -1.729 -1.972 -9.887 127 2HG ARG 19 HG1 ARG 19 -1.985 -3.262 -8.709 128 1HD ARG 19 HD2 ARG 19 -2.378 -4.834 -10.576 129 2HD ARG 19 HD1 ARG 19 -2.018 -3.535 -11.713 130 HE ARG 19 HE ARG 19 0.198 -3.909 -11.343 131 1HH1 ARG 19 HH11 ARG 19 -1.592 -5.216 -8.650 132 2HH1 ARG 19 HH12 ARG 19 -0.197 -5.916 -7.900 133 1HH2 ARG 19 HH21 ARG 19 2.036 -4.830 -10.360 134 2HH2 ARG 19 HH22 ARG 19 1.863 -5.696 -8.870 135 H LEU 20 HN LEU 20 -2.591 -1.338 -6.762 136 HA LEU 20 HA LEU 20 -2.646 1.469 -7.652 137 1HB LEU 20 HB2 LEU 20 -1.887 0.745 -4.856 138 2HB LEU 20 HB1 LEU 20 -2.524 2.254 -5.477 139 HG LEU 20 HG LEU 20 -4.072 -0.288 -4.985 140 1HD1 LEU 20 HD11 LEU 20 -4.587 0.567 -3.004 141 2HD1 LEU 20 HD12 LEU 20 -5.072 2.098 -3.732 142 3HD1 LEU 20 HD13 LEU 20 -3.387 1.828 -3.287 143 1HD2 LEU 20 HD21 LEU 20 -5.905 1.670 -5.515 144 2HD2 LEU 20 HD22 LEU 20 -5.386 0.425 -6.651 145 3HD2 LEU 20 HD23 LEU 20 -4.635 2.020 -6.688 146 H SER 21 HN SER 21 -0.694 2.545 -7.772 147 HA SER 21 HA SER 21 1.722 0.905 -7.394 148 1HB SER 21 HB2 SER 21 2.666 1.891 -9.419 149 2HB SER 21 HB1 SER 21 1.135 1.098 -9.788 150 HG SER 21 HG SER 21 1.629 3.870 -9.488 151 H CYS 22 HN CYS 22 2.770 1.772 -5.720 152 HA CYS 22 HA CYS 22 2.829 4.689 -5.432 153 1HB CYS 22 HB2 CYS 22 2.100 3.455 -3.452 154 2HB CYS 22 HB1 CYS 22 3.586 2.513 -3.472 155 H ALA 23 HN ALA 23 4.680 5.840 -5.605 156 HA ALA 23 HA ALA 23 7.159 4.327 -6.118 157 1HB ALA 23 HB1 ALA 23 7.791 6.211 -7.649 158 2HB ALA 23 HB2 ALA 23 6.137 6.804 -7.492 159 3HB ALA 23 HB3 ALA 23 6.442 5.219 -8.203 160 H ALA 24 HN ALA 24 9.096 5.196 -5.377 161 HA ALA 24 HA ALA 24 8.833 7.420 -3.459 162 1HB ALA 24 HB1 ALA 24 10.897 5.298 -3.080 163 2HB ALA 24 HB2 ALA 24 9.229 4.977 -2.601 164 3HB ALA 24 HB3 ALA 24 10.108 6.328 -1.885 165 H SER 25 HN SER 25 10.921 8.549 -3.022 166 HA SER 25 HA SER 25 12.792 8.445 -5.276 167 1HB SER 25 HB2 SER 25 11.006 10.686 -4.554 168 2HB SER 25 HB1 SER 25 12.685 11.129 -4.862 169 HG SER 25 HG SER 25 12.500 10.046 -6.882 170 H GLY 26 HN GLY 26 14.733 8.092 -4.436 171 1HA GLY 26 HA2 GLY 26 16.486 9.404 -3.150 172 2HA GLY 26 HA1 GLY 26 15.358 9.285 -1.808 173 H ARG 27 HN ARG 27 18.146 8.286 -2.188 174 HA ARG 27 HA ARG 27 17.927 5.416 -2.267 175 1HB ARG 27 HB2 ARG 27 19.940 6.512 -3.105 176 2HB ARG 27 HB1 ARG 27 20.239 7.218 -1.523 177 1HG ARG 27 HG2 ARG 27 21.702 5.358 -1.810 178 2HG ARG 27 HG1 ARG 27 20.485 4.922 -0.609 179 1HD ARG 27 HD2 ARG 27 20.444 3.035 -1.892 180 2HD ARG 27 HD1 ARG 27 19.228 3.991 -2.738 181 HE ARG 27 HE ARG 27 20.604 4.031 -4.555 182 1HH1 ARG 27 HH11 ARG 27 22.521 3.258 -1.744 183 2HH1 ARG 27 HH12 ARG 27 23.968 2.974 -2.653 184 1HH2 ARG 27 HH21 ARG 27 22.505 3.656 -5.754 185 2HH2 ARG 27 HH22 ARG 27 23.958 3.199 -4.929 186 H THR 28 HN THR 28 18.314 3.981 -0.538 187 HA THR 28 HA THR 28 18.489 5.029 2.157 188 HB THR 28 HB THR 28 16.449 4.126 2.974 189 HG1 THR 28 HG1 THR 28 16.300 2.231 1.827 190 1HG2 THR 28 HG21 THR 28 15.798 5.412 0.333 191 2HG2 THR 28 HG22 THR 28 16.117 6.260 1.847 192 3HG2 THR 28 HG23 THR 28 14.700 5.220 1.699 193 H GLY 29 HN GLY 29 18.912 3.401 3.747 194 1HA GLY 29 HA2 GLY 29 19.288 0.669 2.920 195 2HA GLY 29 HA1 GLY 29 20.784 1.551 3.187 196 H SER 30 HN SER 30 17.852 2.114 5.003 197 HA SER 30 HA SER 30 19.094 0.856 7.358 198 1HB SER 30 HB2 SER 30 18.837 3.541 7.050 199 2HB SER 30 HB1 SER 30 17.304 3.158 7.830 200 HG SER 30 HG SER 30 18.456 2.206 9.524 201 H THR 31 HN THR 31 17.464 -0.708 5.979 202 HA THR 31 HA THR 31 15.615 -2.023 6.143 203 HB THR 31 HB THR 31 14.581 -0.802 8.620 204 HG1 THR 31 HG1 THR 31 17.112 -2.074 8.641 205 1HG2 THR 31 HG21 THR 31 13.931 -3.051 7.705 206 2HG2 THR 31 HG22 THR 31 14.425 -3.016 9.397 207 3HG2 THR 31 HG23 THR 31 15.540 -3.607 8.165 208 H TYR 32 HN TYR 32 15.551 0.768 5.031 209 HA TYR 32 HA TYR 32 12.982 1.867 5.525 210 1HB TYR 32 HB2 TYR 32 14.897 3.153 4.605 211 2HB TYR 32 HB1 TYR 32 14.772 2.231 3.112 212 HD1 TYR 32 HD1 TYR 32 12.771 2.524 1.652 213 HD2 TYR 32 HD2 TYR 32 13.455 4.986 5.053 214 HE1 TYR 32 HE1 TYR 32 11.171 4.171 0.774 215 HE2 TYR 32 HE2 TYR 32 11.856 6.640 4.186 216 HH TYR 32 HH TYR 32 9.814 5.979 1.474 217 H ASP 33 HN ASP 33 11.467 0.227 5.315 218 HA ASP 33 HA ASP 33 11.255 -1.264 2.846 219 1HB ASP 33 HB2 ASP 33 9.467 -1.199 5.285 220 2HB ASP 33 HB1 ASP 33 9.304 -2.322 3.939 221 H MET 34 HN MET 34 8.722 -1.495 2.203 222 HA MET 34 HA MET 34 7.543 1.164 1.947 223 1HB MET 34 HB2 MET 34 8.699 -0.458 -0.234 224 2HB MET 34 HB1 MET 34 7.105 0.205 -0.557 225 1HG MET 34 HG2 MET 34 7.860 2.325 -0.685 226 2HG MET 34 HG1 MET 34 9.078 2.082 0.566 227 1HE MET 34 HE1 MET 34 11.062 3.429 -2.403 228 2HE MET 34 HE2 MET 34 11.592 2.983 -0.781 229 3HE MET 34 HE3 MET 34 10.054 3.816 -1.009 230 H GLY 35 HN GLY 35 5.496 0.997 2.606 231 1HA GLY 35 HA2 GLY 35 3.955 -1.361 1.770 232 2HA GLY 35 HA1 GLY 35 4.015 -0.954 3.477 233 H TRP 36 HN TRP 36 1.606 -1.130 2.277 234 HA TRP 36 HA TRP 36 0.772 1.603 1.689 235 1HB TRP 36 HB2 TRP 36 -0.469 -1.073 1.191 236 2HB TRP 36 HB1 TRP 36 -1.383 0.410 1.032 237 HD1 TRP 36 HD1 TRP 36 1.494 -1.520 -0.603 238 HE1 TRP 36 HE1 TRP 36 1.848 -0.606 -2.983 239 HE3 TRP 36 HE3 TRP 36 -1.720 2.455 -0.436 240 HZ2 TRP 36 HZ2 TRP 36 0.892 1.517 -4.579 241 HZ3 TRP 36 HZ3 TRP 36 -1.940 3.877 -2.432 242 HH2 TRP 36 HH2 TRP 36 -0.661 3.416 -4.459 243 H PHE 37 HN PHE 37 -1.205 2.385 2.628 244 HA PHE 37 HA PHE 37 -1.905 1.170 5.193 245 1HB PHE 37 HB2 PHE 37 -0.869 3.906 4.637 246 2HB PHE 37 HB1 PHE 37 -2.137 3.748 5.835 247 HD1 PHE 37 HD1 PHE 37 1.300 2.800 4.967 248 HD2 PHE 37 HD2 PHE 37 -1.699 2.821 7.983 249 HE1 PHE 37 HE1 PHE 37 2.992 2.186 6.645 250 HE2 PHE 37 HE2 PHE 37 -0.014 2.207 9.669 251 HZ PHE 37 HZ PHE 37 2.335 1.890 9.000 252 H ARG 38 HN ARG 38 -3.884 2.548 6.084 253 HA ARG 38 HA ARG 38 -5.654 3.406 3.945 254 1HB ARG 38 HB2 ARG 38 -7.473 1.875 4.853 255 2HB ARG 38 HB1 ARG 38 -6.202 1.112 3.908 256 1HG ARG 38 HG2 ARG 38 -5.171 0.220 5.837 257 2HG ARG 38 HG1 ARG 38 -6.164 1.213 6.906 258 1HD ARG 38 HD2 ARG 38 -7.325 -0.849 5.051 259 2HD ARG 38 HD1 ARG 38 -6.815 -1.227 6.695 260 HE ARG 38 HE ARG 38 -8.638 0.993 6.513 261 1HH1 ARG 38 HH11 ARG 38 -8.357 -2.475 6.787 262 2HH1 ARG 38 HH12 ARG 38 -9.922 -2.671 7.500 263 1HH2 ARG 38 HH21 ARG 38 -10.697 0.737 7.453 264 2HH2 ARG 38 HH22 ARG 38 -11.251 -0.848 7.879 265 H GLN 39 HN GLN 39 -7.550 4.514 4.710 266 HA GLN 39 HA GLN 39 -7.645 5.145 7.555 267 1HB GLN 39 HB2 GLN 39 -6.484 6.886 5.596 268 2HB GLN 39 HB1 GLN 39 -7.951 7.627 6.222 269 1HG GLN 39 HG2 GLN 39 -6.060 6.468 8.183 270 2HG GLN 39 HG1 GLN 39 -5.587 7.956 7.366 271 1HE2 GLN 39 HE21 GLN 39 -5.967 7.883 10.082 272 2HE2 GLN 39 HE22 GLN 39 -7.370 8.802 10.495 273 H ALA 40 HN ALA 40 -9.685 4.679 8.050 274 HA ALA 40 HA ALA 40 -11.816 5.110 6.114 275 1HB ALA 40 HB1 ALA 40 -11.807 3.833 8.845 276 2HB ALA 40 HB2 ALA 40 -11.867 3.015 7.284 277 3HB ALA 40 HB3 ALA 40 -13.237 3.987 7.824 278 HA PRO 41 HA PRO 41 -13.224 8.920 7.806 279 1HB PRO 41 HB2 PRO 41 -15.925 8.711 7.494 280 2HB PRO 41 HB1 PRO 41 -14.817 9.016 6.151 281 1HG PRO 41 HG2 PRO 41 -16.074 6.444 7.024 282 2HG PRO 41 HG1 PRO 41 -15.847 7.079 5.384 283 1HD PRO 41 HD2 PRO 41 -14.224 5.193 6.446 284 2HD PRO 41 HD1 PRO 41 -13.639 6.414 5.297 285 H GLY 42 HN GLY 42 -13.620 9.730 9.745 286 1HA GLY 42 HA2 GLY 42 -14.352 9.887 11.924 287 2HA GLY 42 HA1 GLY 42 -15.479 8.579 11.587 288 H LYS 43 HN LYS 43 -12.573 7.438 10.601 289 HA LYS 43 HA LYS 43 -12.015 6.225 13.223 290 1HB LYS 43 HB2 LYS 43 -12.922 4.917 11.108 291 2HB LYS 43 HB1 LYS 43 -11.227 4.938 10.658 292 1HG LYS 43 HG2 LYS 43 -10.846 3.203 11.980 293 2HG LYS 43 HG1 LYS 43 -11.388 4.139 13.375 294 1HD LYS 43 HD2 LYS 43 -13.766 3.523 12.575 295 2HD LYS 43 HD1 LYS 43 -12.956 2.276 11.625 296 1HE LYS 43 HE2 LYS 43 -13.738 1.441 13.806 297 2HE LYS 43 HE1 LYS 43 -11.988 1.329 13.629 298 1HZ LYS 43 HZ1 LYS 43 -13.266 3.632 14.971 299 2HZ LYS 43 HZ2 LYS 43 -11.659 3.116 15.072 300 3HZ LYS 43 HZ3 LYS 43 -12.883 2.215 15.814 301 H GLU 44 HN GLU 44 -9.675 5.141 13.013 302 HA GLU 44 HA GLU 44 -7.865 7.358 12.430 303 1HB GLU 44 HB2 GLU 44 -7.239 4.792 13.893 304 2HB GLU 44 HB1 GLU 44 -6.277 6.264 13.866 305 1HG GLU 44 HG2 GLU 44 -7.317 6.319 15.936 306 2HG GLU 44 HG1 GLU 44 -8.309 7.386 14.944 307 H ARG 45 HN ARG 45 -5.484 6.137 12.006 308 HA ARG 45 HA ARG 45 -5.922 4.915 9.386 309 1HB ARG 45 HB2 ARG 45 -4.462 6.807 9.322 310 2HB ARG 45 HB1 ARG 45 -3.485 6.174 10.636 311 1HG ARG 45 HG2 ARG 45 -2.450 4.607 9.287 312 2HG ARG 45 HG1 ARG 45 -3.740 4.644 8.084 313 1HD ARG 45 HD2 ARG 45 -1.602 5.746 7.382 314 2HD ARG 45 HD1 ARG 45 -3.039 6.763 7.275 315 HE ARG 45 HE ARG 45 -1.589 7.035 9.747 316 1HH1 ARG 45 HH11 ARG 45 -1.894 8.158 6.455 317 2HH1 ARG 45 HH12 ARG 45 -1.143 9.685 6.775 318 1HH2 ARG 45 HH21 ARG 45 -0.599 9.044 10.168 319 2HH2 ARG 45 HH22 ARG 45 -0.404 10.187 8.881 320 H GLU 46 HN GLU 46 -4.721 3.117 8.704 321 HA GLU 46 HA GLU 46 -3.295 1.489 10.591 322 1HB GLU 46 HB2 GLU 46 -4.780 -0.336 10.703 323 2HB GLU 46 HB1 GLU 46 -5.775 1.083 10.987 324 1HG GLU 46 HG2 GLU 46 -6.677 0.994 8.791 325 2HG GLU 46 HG1 GLU 46 -5.529 -0.255 8.308 326 H SER 47 HN SER 47 -1.915 0.082 9.561 327 HA SER 47 HA SER 47 -1.424 0.501 6.827 328 1HB SER 47 HB2 SER 47 0.511 -0.023 7.923 329 2HB SER 47 HB1 SER 47 -0.266 -1.203 8.970 330 HG SER 47 HG SER 47 -0.252 -2.670 7.292 331 H VAL 48 HN VAL 48 -1.035 -1.416 5.384 332 HA VAL 48 HA VAL 48 -3.266 -3.328 5.528 333 HB VAL 48 HB VAL 48 -2.384 -2.204 2.906 334 1HG1 VAL 48 HG11 VAL 48 -3.791 -4.315 3.184 335 2HG1 VAL 48 HG12 VAL 48 -4.379 -3.084 2.066 336 3HG1 VAL 48 HG13 VAL 48 -5.092 -3.228 3.673 337 1HG2 VAL 48 HG21 VAL 48 -3.954 -0.464 2.962 338 2HG2 VAL 48 HG22 VAL 48 -3.139 -0.371 4.520 339 3HG2 VAL 48 HG23 VAL 48 -4.738 -1.104 4.406 340 H ALA 49 HN ALA 49 -0.532 -2.686 3.328 341 HA ALA 49 HA ALA 49 0.588 -5.303 3.977 342 1HB ALA 49 HB1 ALA 49 -1.041 -5.311 1.915 343 2HB ALA 49 HB2 ALA 49 0.477 -6.208 1.871 344 3HB ALA 49 HB3 ALA 49 0.360 -4.635 1.082 345 H ALA 50 HN ALA 50 2.698 -5.141 4.267 346 HA ALA 50 HA ALA 50 4.127 -2.951 2.905 347 1HB ALA 50 HB1 ALA 50 5.552 -3.688 5.225 348 2HB ALA 50 HB2 ALA 50 3.858 -3.501 5.685 349 3HB ALA 50 HB3 ALA 50 4.710 -2.174 4.894 350 H ILE 51 HN ILE 51 6.215 -3.352 2.147 351 HA ILE 51 HA ILE 51 7.051 -6.175 2.189 352 HB ILE 51 HB ILE 51 6.066 -5.636 0.016 353 1HG1 ILE 51 HG12 ILE 51 8.707 -5.808 -1.041 354 2HG1 ILE 51 HG11 ILE 51 8.676 -6.686 0.484 355 1HG2 ILE 51 HG21 ILE 51 7.974 -4.002 -1.207 356 2HG2 ILE 51 HG22 ILE 51 7.585 -3.220 0.325 357 3HG2 ILE 51 HG23 ILE 51 6.301 -3.598 -0.822 358 1HD1 ILE 51 HD11 ILE 51 7.077 -8.190 -0.278 359 2HD1 ILE 51 HD12 ILE 51 8.143 -7.959 -1.664 360 3HD1 ILE 51 HD13 ILE 51 6.584 -7.137 -1.604 361 H ASN 52 HN ASN 52 9.201 -6.584 2.384 362 HA ASN 52 HA ASN 52 10.851 -4.351 3.238 363 1HB ASN 52 HB2 ASN 52 10.592 -6.829 4.238 364 2HB ASN 52 HB1 ASN 52 11.990 -7.071 3.204 365 1HD2 ASN 52 HD21 ASN 52 10.783 -5.686 6.093 366 2HD2 ASN 52 HD22 ASN 52 12.278 -5.051 6.680 367 H TRP 53 HN TRP 53 13.390 -5.352 2.632 368 HA TRP 53 HA TRP 53 13.455 -4.920 -0.264 369 1HB TRP 53 HB2 TRP 53 14.845 -3.741 1.885 370 2HB TRP 53 HB1 TRP 53 16.010 -4.731 1.026 371 HD1 TRP 53 HD1 TRP 53 15.752 -1.405 1.100 372 HE1 TRP 53 HE1 TRP 53 15.803 -0.200 -1.176 373 HE3 TRP 53 HE3 TRP 53 14.517 -5.327 -1.902 374 HZ2 TRP 53 HZ2 TRP 53 15.372 -0.840 -3.897 375 HZ3 TRP 53 HZ3 TRP 53 14.353 -4.961 -4.335 376 HH2 TRP 53 HH2 TRP 53 14.773 -2.760 -5.309 377 H ASP 54 HN ASP 54 16.002 -5.805 -0.809 378 HA ASP 54 HA ASP 54 16.985 -7.711 -1.606 379 1HB ASP 54 HB2 ASP 54 17.637 -7.411 0.919 380 2HB ASP 54 HB1 ASP 54 16.690 -8.881 1.133 381 H SER 55 HN SER 55 13.997 -7.719 -1.662 382 HA SER 55 HA SER 55 12.224 -9.154 -1.918 383 1HB SER 55 HB2 SER 55 13.418 -9.477 -4.009 384 2HB SER 55 HB1 SER 55 14.456 -10.693 -3.265 385 HG SER 55 HG SER 55 11.994 -10.971 -4.339 386 H ALA 56 HN ALA 56 12.056 -9.608 0.397 387 HA ALA 56 HA ALA 56 12.903 -12.339 1.078 388 1HB ALA 56 HB1 ALA 56 12.697 -11.624 3.450 389 2HB ALA 56 HB2 ALA 56 12.382 -9.984 2.882 390 3HB ALA 56 HB3 ALA 56 13.935 -10.750 2.548 391 H ARG 57 HN ARG 57 10.419 -10.138 2.362 392 HA ARG 57 HA ARG 57 8.258 -11.788 1.450 393 1HB ARG 57 HB2 ARG 57 9.430 -12.747 3.693 394 2HB ARG 57 HB1 ARG 57 8.262 -11.643 4.405 395 1HG ARG 57 HG2 ARG 57 7.276 -13.809 4.291 396 2HG ARG 57 HG1 ARG 57 6.479 -12.782 3.100 397 1HD ARG 57 HD2 ARG 57 7.924 -13.741 1.348 398 2HD ARG 57 HD1 ARG 57 8.650 -14.803 2.553 399 HE ARG 57 HE ARG 57 6.024 -15.366 2.774 400 1HH1 ARG 57 HH11 ARG 57 8.179 -15.208 0.032 401 2HH1 ARG 57 HH12 ARG 57 7.311 -16.398 -0.876 402 1HH2 ARG 57 HH21 ARG 57 4.882 -16.931 1.579 403 2HH2 ARG 57 HH22 ARG 57 5.438 -17.375 0.000 404 H THR 58 HN THR 58 6.130 -11.004 2.370 405 HA THR 58 HA THR 58 6.272 -8.089 2.710 406 HB THR 58 HB THR 58 3.644 -9.158 2.057 407 HG1 THR 58 HG1 THR 58 5.773 -9.629 0.247 408 1HG2 THR 58 HG21 THR 58 5.334 -6.923 1.320 409 2HG2 THR 58 HG22 THR 58 3.576 -7.055 1.358 410 3HG2 THR 58 HG23 THR 58 4.472 -7.614 -0.054 411 H TYR 59 HN TYR 59 4.008 -7.345 3.744 412 HA TYR 59 HA TYR 59 3.427 -8.979 6.100 413 1HB TYR 59 HB2 TYR 59 5.091 -7.465 6.908 414 2HB TYR 59 HB1 TYR 59 4.332 -6.099 6.104 415 HD1 TYR 59 HD1 TYR 59 2.890 -8.758 8.296 416 HD2 TYR 59 HD2 TYR 59 3.665 -4.612 7.745 417 HE1 TYR 59 HE1 TYR 59 1.610 -8.254 10.334 418 HE2 TYR 59 HE2 TYR 59 2.389 -4.096 9.782 419 HH TYR 59 HH TYR 59 0.270 -5.988 11.153 420 H TYR 60 HN TYR 60 1.406 -9.414 5.105 421 HA TYR 60 HA TYR 60 -0.359 -7.212 4.482 422 1HB TYR 60 HB2 TYR 60 -1.073 -10.137 4.553 423 2HB TYR 60 HB1 TYR 60 -1.835 -8.853 3.634 424 HD1 TYR 60 HD1 TYR 60 1.161 -10.988 3.862 425 HD2 TYR 60 HD2 TYR 60 -1.019 -8.209 1.491 426 HE1 TYR 60 HE1 TYR 60 2.575 -11.538 1.928 427 HE2 TYR 60 HE2 TYR 60 0.387 -8.752 -0.450 428 HH TYR 60 HH TYR 60 3.206 -10.042 -0.376 429 H ALA 61 HN ALA 61 -2.206 -6.662 5.611 430 HA ALA 61 HA ALA 61 -2.183 -7.160 8.420 431 1HB ALA 61 HB1 ALA 61 -3.797 -5.537 6.548 432 2HB ALA 61 HB2 ALA 61 -3.064 -5.099 8.091 433 3HB ALA 61 HB3 ALA 61 -4.577 -6.005 8.059 434 H SER 62 HN SER 62 -4.174 -7.941 9.592 435 HA SER 62 HA SER 62 -4.922 -10.488 8.496 436 1HB SER 62 HB2 SER 62 -5.666 -11.063 10.644 437 2HB SER 62 HB1 SER 62 -4.326 -9.962 10.961 438 HG SER 62 HG SER 62 -5.998 -9.276 12.218 439 H SER 63 HN SER 63 -5.944 -8.226 7.110 440 HA SER 63 HA SER 63 -8.831 -8.621 7.502 441 1HB SER 63 HB2 SER 63 -9.261 -6.397 6.864 442 2HB SER 63 HB1 SER 63 -7.844 -6.264 7.906 443 HG SER 63 HG SER 63 -6.625 -6.413 5.841 444 H VAL 64 HN VAL 64 -6.126 -8.784 5.392 445 HA VAL 64 HA VAL 64 -7.782 -9.965 3.314 446 HB VAL 64 HB VAL 64 -6.602 -8.651 1.542 447 1HG1 VAL 64 HG11 VAL 64 -7.938 -6.545 1.927 448 2HG1 VAL 64 HG12 VAL 64 -8.397 -7.222 3.489 449 3HG1 VAL 64 HG13 VAL 64 -8.848 -8.054 2.000 450 1HG2 VAL 64 HG21 VAL 64 -5.990 -6.423 3.325 451 2HG2 VAL 64 HG22 VAL 64 -5.051 -7.103 1.996 452 3HG2 VAL 64 HG23 VAL 64 -4.976 -7.840 3.598 453 H ARG 65 HN ARG 65 -5.536 -10.643 5.304 454 HA ARG 65 HA ARG 65 -3.196 -11.206 3.895 455 1HB ARG 65 HB2 ARG 65 -3.803 -11.261 6.467 456 2HB ARG 65 HB1 ARG 65 -4.090 -12.959 6.133 457 1HG ARG 65 HG2 ARG 65 -1.689 -12.675 4.980 458 2HG ARG 65 HG1 ARG 65 -1.571 -11.443 6.238 459 1HD ARG 65 HD2 ARG 65 -2.261 -13.165 7.898 460 2HD ARG 65 HD1 ARG 65 -2.189 -14.370 6.613 461 HE ARG 65 HE ARG 65 0.097 -14.357 6.770 462 1HH1 ARG 65 HH11 ARG 65 -1.173 -11.584 8.464 463 2HH1 ARG 65 HH12 ARG 65 0.354 -11.151 9.156 464 1HH2 ARG 65 HH21 ARG 65 2.105 -13.789 7.678 465 2HH2 ARG 65 HH22 ARG 65 2.215 -12.402 8.709 466 H GLY 66 HN GLY 66 -4.045 -11.977 1.941 467 1HA GLY 66 HA2 GLY 66 -3.622 -14.315 0.996 468 2HA GLY 66 HA1 GLY 66 -5.005 -14.752 1.987 469 H ARG 67 HN ARG 67 -5.501 -11.657 0.927 470 HA ARG 67 HA ARG 67 -7.008 -12.602 -1.427 471 1HB ARG 67 HB2 ARG 67 -7.805 -10.221 0.230 472 2HB ARG 67 HB1 ARG 67 -8.780 -11.135 -0.912 473 1HG ARG 67 HG2 ARG 67 -8.382 -13.097 0.765 474 2HG ARG 67 HG1 ARG 67 -8.040 -11.788 1.898 475 1HD ARG 67 HD2 ARG 67 -10.554 -12.034 0.252 476 2HD ARG 67 HD1 ARG 67 -10.402 -12.529 1.937 477 HE ARG 67 HE ARG 67 -9.672 -9.787 1.447 478 1HH1 ARG 67 HH11 ARG 67 -12.290 -11.975 2.183 479 2HH1 ARG 67 HH12 ARG 67 -13.280 -10.748 2.899 480 1HH2 ARG 67 HH21 ARG 67 -10.975 -8.171 2.387 481 2HH2 ARG 67 HH22 ARG 67 -12.535 -8.589 3.012 482 H PHE 68 HN PHE 68 -5.568 -9.675 0.015 483 HA PHE 68 HA PHE 68 -5.435 -8.316 -2.503 484 1HB PHE 68 HB2 PHE 68 -4.347 -7.731 0.244 485 2HB PHE 68 HB1 PHE 68 -3.953 -6.715 -1.135 486 HD1 PHE 68 HD1 PHE 68 -4.962 -4.854 0.165 487 HD2 PHE 68 HD2 PHE 68 -7.251 -8.198 -1.139 488 HE1 PHE 68 HE1 PHE 68 -7.032 -3.574 0.524 489 HE2 PHE 68 HE2 PHE 68 -9.324 -6.923 -0.783 490 HZ PHE 68 HZ PHE 68 -9.217 -4.607 0.049 491 H THR 69 HN THR 69 -3.552 -7.745 -3.670 492 HA THR 69 HA THR 69 -1.293 -9.600 -3.265 493 HB THR 69 HB THR 69 -2.199 -8.312 -5.849 494 HG1 THR 69 HG1 THR 69 -2.514 -10.981 -4.947 495 1HG2 THR 69 HG21 THR 69 0.053 -8.799 -6.163 496 2HG2 THR 69 HG22 THR 69 -0.788 -10.207 -6.812 497 3HG2 THR 69 HG23 THR 69 -0.039 -10.283 -5.216 498 H ILE 70 HN ILE 70 0.812 -8.843 -3.867 499 HA ILE 70 HA ILE 70 1.229 -5.973 -4.048 500 HB ILE 70 HB ILE 70 0.991 -6.420 -1.656 501 1HG1 ILE 70 HG12 ILE 70 2.481 -4.615 -2.491 502 2HG1 ILE 70 HG11 ILE 70 2.958 -5.242 -0.918 503 1HG2 ILE 70 HG21 ILE 70 1.838 -8.757 -1.788 504 2HG2 ILE 70 HG22 ILE 70 2.489 -7.811 -0.445 505 3HG2 ILE 70 HG23 ILE 70 3.473 -8.097 -1.882 506 1HD1 ILE 70 HD11 ILE 70 4.376 -5.251 -3.459 507 2HD1 ILE 70 HD12 ILE 70 4.427 -6.789 -2.598 508 3HD1 ILE 70 HD13 ILE 70 4.995 -5.317 -1.810 509 H SER 71 HN SER 71 3.019 -5.482 -5.153 510 HA SER 71 HA SER 71 5.325 -7.160 -5.270 511 1HB SER 71 HB2 SER 71 3.364 -7.999 -6.965 512 2HB SER 71 HB1 SER 71 4.238 -6.869 -8.000 513 HG SER 71 HG SER 71 4.902 -9.318 -7.528 514 H ARG 72 HN ARG 72 7.080 -6.172 -6.382 515 HA ARG 72 HA ARG 72 6.679 -3.294 -6.803 516 1HB ARG 72 HB2 ARG 72 9.062 -3.048 -6.388 517 2HB ARG 72 HB1 ARG 72 8.310 -3.944 -5.075 518 1HG ARG 72 HG2 ARG 72 9.093 -5.956 -6.738 519 2HG ARG 72 HG1 ARG 72 10.373 -4.765 -6.977 520 1HD ARG 72 HD2 ARG 72 11.271 -5.244 -5.000 521 2HD ARG 72 HD1 ARG 72 9.728 -5.000 -4.182 522 HE ARG 72 HE ARG 72 9.919 -7.525 -5.535 523 1HH1 ARG 72 HH11 ARG 72 10.643 -5.810 -2.583 524 2HH1 ARG 72 HH12 ARG 72 10.673 -7.243 -1.611 525 1HH2 ARG 72 HH21 ARG 72 9.959 -9.411 -4.258 526 2HH2 ARG 72 HH22 ARG 72 10.286 -9.287 -2.561 527 H ASP 73 HN ASP 73 8.081 -2.265 -8.479 528 HA ASP 73 HA ASP 73 7.729 -3.638 -10.977 529 1HB ASP 73 HB2 ASP 73 7.355 -1.217 -10.799 530 2HB ASP 73 HB1 ASP 73 9.049 -0.983 -10.388 531 H ASN 74 HN ASN 74 10.386 -2.986 -8.815 532 HA ASN 74 HA ASN 74 12.531 -3.736 -8.755 533 1HB ASN 74 HB2 ASN 74 11.102 -5.837 -9.778 534 2HB ASN 74 HB1 ASN 74 12.323 -5.596 -11.023 535 1HD2 ASN 74 HD21 ASN 74 14.459 -4.765 -9.511 536 2HD2 ASN 74 HD22 ASN 74 14.973 -6.056 -8.485 537 H ALA 75 HN ALA 75 11.645 -1.593 -10.629 538 HA ALA 75 HA ALA 75 13.738 -1.802 -12.673 539 1HB ALA 75 HB1 ALA 75 12.155 0.512 -13.084 540 2HB ALA 75 HB2 ALA 75 11.067 -0.833 -12.747 541 3HB ALA 75 HB3 ALA 75 12.233 -0.952 -14.064 542 H LYS 76 HN LYS 76 12.331 0.555 -10.407 543 HA LYS 76 HA LYS 76 15.019 1.670 -10.023 544 1HB LYS 76 HB2 LYS 76 13.831 3.949 -9.826 545 2HB LYS 76 HB1 LYS 76 14.121 3.301 -11.434 546 1HG LYS 76 HG2 LYS 76 11.717 2.337 -11.186 547 2HG LYS 76 HG1 LYS 76 11.556 3.572 -9.937 548 1HD LYS 76 HD2 LYS 76 12.276 5.272 -11.595 549 2HD LYS 76 HD1 LYS 76 12.287 4.012 -12.831 550 1HE LYS 76 HE2 LYS 76 9.798 3.758 -11.653 551 2HE LYS 76 HE1 LYS 76 10.059 5.501 -11.705 552 1HZ LYS 76 HZ1 LYS 76 10.069 5.528 -13.965 553 2HZ LYS 76 HZ2 LYS 76 9.033 4.213 -13.728 554 3HZ LYS 76 HZ3 LYS 76 10.658 3.948 -14.113 555 H LYS 77 HN LYS 77 11.673 1.937 -8.811 556 HA LYS 77 HA LYS 77 12.063 0.891 -6.328 557 1HB LYS 77 HB2 LYS 77 13.530 3.186 -6.388 558 2HB LYS 77 HB1 LYS 77 12.000 3.787 -5.771 559 1HG LYS 77 HG2 LYS 77 13.254 3.263 -3.874 560 2HG LYS 77 HG1 LYS 77 12.131 1.914 -4.058 561 1HD LYS 77 HD2 LYS 77 14.023 0.703 -3.758 562 2HD LYS 77 HD1 LYS 77 14.183 0.968 -5.495 563 1HE LYS 77 HE2 LYS 77 15.279 3.159 -3.931 564 2HE LYS 77 HE1 LYS 77 16.043 1.616 -3.552 565 1HZ LYS 77 HZ1 LYS 77 16.789 1.361 -5.712 566 2HZ LYS 77 HZ2 LYS 77 16.989 3.021 -5.457 567 3HZ LYS 77 HZ3 LYS 77 15.671 2.457 -6.354 568 H THR 78 HN THR 78 9.974 0.332 -7.426 569 HA THR 78 HA THR 78 7.879 2.128 -6.423 570 HB THR 78 HB THR 78 7.744 0.727 -9.092 571 HG1 THR 78 HG1 THR 78 9.230 2.562 -8.943 572 1HG2 THR 78 HG21 THR 78 5.931 2.805 -7.894 573 2HG2 THR 78 HG22 THR 78 5.552 1.093 -8.090 574 3HG2 THR 78 HG23 THR 78 5.800 2.111 -9.510 575 H VAL 79 HN VAL 79 6.154 1.169 -5.522 576 HA VAL 79 HA VAL 79 6.133 -1.777 -5.437 577 HB VAL 79 HB VAL 79 5.087 -1.615 -3.232 578 1HG1 VAL 79 HG11 VAL 79 7.077 -1.553 -2.191 579 2HG1 VAL 79 HG12 VAL 79 7.450 0.067 -2.782 580 3HG1 VAL 79 HG13 VAL 79 7.721 -1.335 -3.818 581 1HG2 VAL 79 HG21 VAL 79 5.215 0.637 -2.065 582 2HG2 VAL 79 HG22 VAL 79 3.947 0.450 -3.277 583 3HG2 VAL 79 HG23 VAL 79 5.418 1.341 -3.669 584 H TYR 80 HN TYR 80 4.142 -2.831 -5.597 585 HA TYR 80 HA TYR 80 1.820 -1.143 -6.205 586 1HB TYR 80 HB2 TYR 80 2.563 -3.563 -7.840 587 2HB TYR 80 HB1 TYR 80 1.276 -2.409 -8.162 588 HD1 TYR 80 HD1 TYR 80 1.654 -0.827 -9.771 589 HD2 TYR 80 HD2 TYR 80 4.975 -2.450 -7.669 590 HE1 TYR 80 HE1 TYR 80 3.181 0.469 -11.194 591 HE2 TYR 80 HE2 TYR 80 6.509 -1.156 -9.079 592 HH TYR 80 HH TYR 80 5.682 0.195 -11.932 593 H LEU 81 HN LEU 81 -0.242 -2.205 -5.957 594 HA LEU 81 HA LEU 81 -0.214 -4.812 -4.672 595 1HB LEU 81 HB2 LEU 81 -0.798 -4.198 -2.598 596 2HB LEU 81 HB1 LEU 81 -0.102 -2.656 -3.044 597 HG LEU 81 HG LEU 81 -3.039 -3.194 -3.426 598 1HD1 LEU 81 HD11 LEU 81 -3.484 -2.291 -1.249 599 2HD1 LEU 81 HD12 LEU 81 -1.762 -2.060 -0.946 600 3HD1 LEU 81 HD13 LEU 81 -2.422 -3.690 -1.079 601 1HD2 LEU 81 HD21 LEU 81 -3.032 -0.679 -3.003 602 2HD2 LEU 81 HD22 LEU 81 -2.366 -1.239 -4.537 603 3HD2 LEU 81 HD23 LEU 81 -1.285 -0.764 -3.227 604 H GLN 82 HN GLN 82 -1.816 -6.025 -5.409 605 HA GLN 82 HA GLN 82 -4.005 -4.722 -6.835 606 1HB GLN 82 HB2 GLN 82 -2.329 -6.729 -7.578 607 2HB GLN 82 HB1 GLN 82 -3.698 -7.634 -6.971 608 1HG GLN 82 HG2 GLN 82 -4.489 -5.453 -8.717 609 2HG GLN 82 HG1 GLN 82 -3.411 -6.602 -9.506 610 1HE2 GLN 82 HE21 GLN 82 -4.116 -8.974 -8.497 611 2HE2 GLN 82 HE22 GLN 82 -5.762 -9.341 -8.865 612 H MET 83 HN MET 83 -5.474 -4.243 -5.245 613 HA MET 83 HA MET 83 -6.164 -6.134 -3.198 614 1HB MET 83 HB2 MET 83 -7.692 -3.639 -3.908 615 2HB MET 83 HB1 MET 83 -7.613 -4.457 -2.355 616 1HG MET 83 HG2 MET 83 -5.776 -3.386 -1.749 617 2HG MET 83 HG1 MET 83 -5.012 -3.606 -3.318 618 1HE MET 83 HE1 MET 83 -5.068 -0.551 -1.368 619 2HE MET 83 HE2 MET 83 -6.435 -1.527 -0.832 620 3HE MET 83 HE3 MET 83 -6.712 0.068 -1.531 621 H ASN 84 HN ASN 84 -6.974 -7.959 -4.239 622 HA ASN 84 HA ASN 84 -9.256 -7.681 -6.004 623 1HB ASN 84 HB2 ASN 84 -8.498 -10.401 -5.226 624 2HB ASN 84 HB1 ASN 84 -8.677 -9.689 -6.818 625 1HD2 ASN 84 HD21 ASN 84 -6.592 -11.394 -5.329 626 2HD2 ASN 84 HD22 ASN 84 -5.099 -10.643 -5.762 627 H SER 85 HN SER 85 -10.947 -9.574 -5.584 628 HA SER 85 HA SER 85 -12.875 -9.916 -4.381 629 1HB SER 85 HB2 SER 85 -10.983 -11.602 -3.664 630 2HB SER 85 HB1 SER 85 -11.129 -10.775 -2.113 631 HG SER 85 HG SER 85 -12.680 -12.676 -3.080 632 H LEU 86 HN LEU 86 -12.139 -7.234 -4.164 633 HA LEU 86 HA LEU 86 -11.948 -6.248 -1.556 634 1HB LEU 86 HB2 LEU 86 -12.200 -5.190 -4.160 635 2HB LEU 86 HB1 LEU 86 -13.482 -4.468 -3.207 636 HG LEU 86 HG LEU 86 -11.481 -4.071 -1.497 637 1HD1 LEU 86 HD11 LEU 86 -9.417 -3.550 -2.623 638 2HD1 LEU 86 HD12 LEU 86 -10.112 -3.998 -4.181 639 3HD1 LEU 86 HD13 LEU 86 -9.848 -5.229 -2.945 640 1HD2 LEU 86 HD21 LEU 86 -12.530 -2.502 -3.780 641 2HD2 LEU 86 HD22 LEU 86 -11.088 -1.889 -2.970 642 3HD2 LEU 86 HD23 LEU 86 -12.569 -2.157 -2.051 643 H LYS 87 HN LYS 87 -13.575 -5.087 -0.330 644 HA LYS 87 HA LYS 87 -16.294 -6.165 -0.672 645 1HB LYS 87 HB2 LYS 87 -14.733 -5.905 1.906 646 2HB LYS 87 HB1 LYS 87 -16.440 -6.303 1.820 647 1HG LYS 87 HG2 LYS 87 -14.151 -7.938 0.757 648 2HG LYS 87 HG1 LYS 87 -15.169 -8.309 2.149 649 1HD LYS 87 HD2 LYS 87 -16.091 -8.127 -0.719 650 2HD LYS 87 HD1 LYS 87 -15.825 -9.617 0.188 651 1HE LYS 87 HE2 LYS 87 -17.505 -8.365 1.863 652 2HE LYS 87 HE1 LYS 87 -18.043 -7.668 0.335 653 1HZ LYS 87 HZ1 LYS 87 -17.674 -10.573 0.508 654 2HZ LYS 87 HZ2 LYS 87 -18.755 -9.681 -0.439 655 3HZ LYS 87 HZ3 LYS 87 -19.052 -9.889 1.213 656 HA PRO 88 HA PRO 88 -17.738 -2.041 -0.124 657 1HB PRO 88 HB2 PRO 88 -19.963 -2.303 1.397 658 2HB PRO 88 HB1 PRO 88 -19.887 -2.837 -0.286 659 1HG PRO 88 HG2 PRO 88 -19.604 -4.444 2.224 660 2HG PRO 88 HG1 PRO 88 -20.513 -4.824 0.749 661 1HD PRO 88 HD2 PRO 88 -18.076 -5.876 1.271 662 2HD PRO 88 HD1 PRO 88 -18.632 -5.534 -0.377 663 H GLU 89 HN GLU 89 -16.233 -3.541 2.341 664 HA GLU 89 HA GLU 89 -16.723 -1.377 4.259 665 1HB GLU 89 HB2 GLU 89 -17.183 -3.436 5.314 666 2HB GLU 89 HB1 GLU 89 -15.785 -4.217 4.592 667 1HG GLU 89 HG2 GLU 89 -14.334 -3.350 6.117 668 2HG GLU 89 HG1 GLU 89 -15.326 -1.926 6.420 669 H ASP 90 HN ASP 90 -14.528 -2.410 1.942 670 HA ASP 90 HA ASP 90 -12.130 -1.579 3.301 671 1HB ASP 90 HB2 ASP 90 -12.586 -2.272 0.392 672 2HB ASP 90 HB1 ASP 90 -11.031 -2.088 1.182 673 H THR 91 HN THR 91 -14.646 -0.003 1.687 674 HA THR 91 HA THR 91 -13.441 1.983 0.208 675 HB THR 91 HB THR 91 -15.885 2.115 1.969 676 HG1 THR 91 HG1 THR 91 -15.823 0.526 0.250 677 1HG2 THR 91 HG21 THR 91 -16.657 3.851 0.332 678 2HG2 THR 91 HG22 THR 91 -14.988 3.954 -0.230 679 3HG2 THR 91 HG23 THR 91 -15.384 4.366 1.439 680 H ALA 92 HN ALA 92 -11.733 3.163 0.867 681 HA ALA 92 HA ALA 92 -12.026 5.072 2.946 682 1HB ALA 92 HB1 ALA 92 -11.550 3.649 4.639 683 2HB ALA 92 HB2 ALA 92 -9.893 4.010 4.156 684 3HB ALA 92 HB3 ALA 92 -10.672 2.528 3.600 685 H VAL 93 HN VAL 93 -9.627 5.917 3.528 686 HA VAL 93 HA VAL 93 -8.490 6.635 0.951 687 HB VAL 93 HB VAL 93 -7.934 7.661 3.735 688 1HG1 VAL 93 HG11 VAL 93 -6.581 8.128 1.161 689 2HG1 VAL 93 HG12 VAL 93 -5.982 8.313 2.809 690 3HG1 VAL 93 HG13 VAL 93 -6.975 9.577 2.085 691 1HG2 VAL 93 HG21 VAL 93 -9.373 8.987 1.442 692 2HG2 VAL 93 HG22 VAL 93 -9.170 9.617 3.077 693 3HG2 VAL 93 HG23 VAL 93 -10.168 8.190 2.800 694 H TYR 94 HN TYR 94 -7.086 5.154 0.179 695 HA TYR 94 HA TYR 94 -5.318 3.712 1.952 696 1HB TYR 94 HB2 TYR 94 -6.175 3.538 -0.885 697 2HB TYR 94 HB1 TYR 94 -4.591 2.905 -0.488 698 HD1 TYR 94 HD1 TYR 94 -8.182 2.460 -0.117 699 HD2 TYR 94 HD2 TYR 94 -4.363 0.963 1.008 700 HE1 TYR 94 HE1 TYR 94 -9.235 0.378 0.658 701 HE2 TYR 94 HE2 TYR 94 -5.405 -1.125 1.787 702 HH TYR 94 HH TYR 94 -8.646 -1.940 1.077 703 H THR 95 HN THR 95 -3.528 4.736 2.614 704 HA THR 95 HA THR 95 -2.100 6.436 0.672 705 HB THR 95 HB THR 95 -1.769 6.502 3.670 706 HG1 THR 95 HG1 THR 95 -3.411 7.818 3.813 707 1HG2 THR 95 HG21 THR 95 -0.887 8.261 1.429 708 2HG2 THR 95 HG22 THR 95 0.024 7.662 2.816 709 3HG2 THR 95 HG23 THR 95 -1.175 8.937 3.032 710 H CYS 96 HN CYS 96 -0.012 5.992 0.157 711 HA CYS 96 HA CYS 96 1.086 3.518 1.270 712 1HB CYS 96 HB2 CYS 96 2.425 3.338 -0.691 713 2HB CYS 96 HB1 CYS 96 0.813 3.799 -1.223 714 H GLY 97 HN GLY 97 3.011 3.397 2.304 715 1HA GLY 97 HA2 GLY 97 4.634 5.834 2.527 716 2HA GLY 97 HA1 GLY 97 4.047 5.069 3.996 717 H ALA 98 HN ALA 98 6.462 5.067 4.352 718 HA ALA 98 HA ALA 98 7.523 2.487 3.437 719 1HB ALA 98 HB1 ALA 98 8.531 5.030 2.663 720 2HB ALA 98 HB2 ALA 98 9.144 3.428 2.256 721 3HB ALA 98 HB3 ALA 98 9.720 4.251 3.706 722 H GLY 99 HN GLY 99 9.447 1.815 4.760 723 1HA GLY 99 HA2 GLY 99 8.886 2.457 7.576 724 2HA GLY 99 HA1 GLY 99 9.618 0.968 7.001 725 H GLU 100 HN GLU 100 11.009 1.774 8.927 726 HA GLU 100 HA GLU 100 13.518 2.531 7.892 727 1HB GLU 100 HB2 GLU 100 11.775 4.667 8.890 728 2HB GLU 100 HB1 GLU 100 13.374 4.653 9.622 729 1HG GLU 100 HG2 GLU 100 14.046 4.372 7.037 730 2HG GLU 100 HG1 GLU 100 12.551 5.292 6.869 731 H GLY 101 HN GLY 101 14.634 1.096 9.058 732 1HA GLY 101 HA2 GLY 101 15.561 0.028 10.845 733 2HA GLY 101 HA1 GLY 101 15.138 1.447 11.788 734 H GLY 102 HN GLY 102 12.513 -0.111 10.235 735 1HA GLY 102 HA2 GLY 102 11.287 -2.017 11.135 736 2HA GLY 102 HA1 GLY 102 11.854 -1.544 12.729 737 H THR 103 HN THR 103 11.290 1.352 11.729 738 HA THR 103 HA THR 103 8.521 1.360 12.653 739 HB THR 103 HB THR 103 10.308 3.727 12.179 740 HG1 THR 103 HG1 THR 103 11.363 3.314 13.944 741 1HG2 THR 103 HG21 THR 103 8.933 4.322 14.398 742 2HG2 THR 103 HG22 THR 103 7.752 3.307 13.570 743 3HG2 THR 103 HG23 THR 103 8.394 4.744 12.773 744 H TRP 104 HN TRP 104 7.321 3.409 11.621 745 HA TRP 104 HA TRP 104 7.749 3.502 8.735 746 1HB TRP 104 HB2 TRP 104 5.122 2.743 10.029 747 2HB TRP 104 HB1 TRP 104 5.329 3.116 8.321 748 HD1 TRP 104 HD1 TRP 104 6.280 0.452 10.925 749 HE1 TRP 104 HE1 TRP 104 6.845 -1.731 9.681 750 HE3 TRP 104 HE3 TRP 104 6.070 2.180 6.117 751 HZ2 TRP 104 HZ2 TRP 104 7.161 -2.603 7.014 752 HZ3 TRP 104 HZ3 TRP 104 6.520 0.608 4.277 753 HH2 TRP 104 HH2 TRP 104 7.054 -1.734 4.719 754 H ASP 105 HN ASP 105 8.348 5.642 8.889 755 HA ASP 105 HA ASP 105 6.255 7.498 9.794 756 1HB ASP 105 HB2 ASP 105 8.206 7.651 11.211 757 2HB ASP 105 HB1 ASP 105 9.236 7.861 9.806 758 H SER 106 HN SER 106 7.652 6.280 7.067 759 HA SER 106 HA SER 106 7.669 8.794 5.587 760 1HB SER 106 HB2 SER 106 9.354 6.766 5.351 761 2HB SER 106 HB1 SER 106 8.113 6.152 4.261 762 HG SER 106 HG SER 106 9.872 7.587 3.397 763 H TRP 107 HN TRP 107 6.094 9.432 4.243 764 HA TRP 107 HA TRP 107 4.034 7.503 3.448 765 1HB TRP 107 HB2 TRP 107 3.302 10.264 4.407 766 2HB TRP 107 HB1 TRP 107 2.236 8.898 4.110 767 HD1 TRP 107 HD1 TRP 107 4.750 10.215 6.681 768 HE1 TRP 107 HE1 TRP 107 4.349 9.001 8.916 769 HE3 TRP 107 HE3 TRP 107 1.301 6.783 5.126 770 HZ2 TRP 107 HZ2 TRP 107 2.774 6.868 9.888 771 HZ3 TRP 107 HZ3 TRP 107 0.394 5.192 6.769 772 HH2 TRP 107 HH2 TRP 107 1.117 5.234 9.100 773 H GLY 108 HN GLY 108 2.651 8.327 1.675 774 1HA GLY 108 HA2 GLY 108 4.271 9.995 -0.133 775 2HA GLY 108 HA1 GLY 108 3.091 8.798 -0.647 776 H GLN 109 HN GLN 109 0.905 9.326 -0.678 777 HA GLN 109 HA GLN 109 0.167 12.057 0.048 778 1HB GLN 109 HB2 GLN 109 0.785 12.114 -2.334 779 2HB GLN 109 HB1 GLN 109 -0.383 10.842 -2.660 780 1HG GLN 109 HG2 GLN 109 -2.004 12.605 -1.487 781 2HG GLN 109 HG1 GLN 109 -0.801 13.717 -2.140 782 1HE2 GLN 109 HE21 GLN 109 -2.408 10.748 -3.251 783 2HE2 GLN 109 HE22 GLN 109 -2.876 11.377 -4.791 784 H GLY 110 HN GLY 110 -1.365 9.374 -1.729 785 1HA GLY 110 HA2 GLY 110 -2.874 8.032 -0.092 786 2HA GLY 110 HA1 GLY 110 -3.658 9.591 0.093 787 H THR 111 HN THR 111 -4.752 7.083 -0.900 788 HA THR 111 HA THR 111 -5.885 8.126 -3.370 789 HB THR 111 HB THR 111 -4.180 6.793 -4.331 790 HG1 THR 111 HG1 THR 111 -6.008 6.274 -5.387 791 1HG2 THR 111 HG21 THR 111 -3.951 4.354 -3.737 792 2HG2 THR 111 HG22 THR 111 -4.868 4.721 -2.276 793 3HG2 THR 111 HG23 THR 111 -3.317 5.509 -2.566 794 H GLN 112 HN GLN 112 -7.949 8.251 -2.748 795 HA GLN 112 HA GLN 112 -9.145 6.537 -0.854 796 1HB GLN 112 HB2 GLN 112 -10.192 8.586 -0.955 797 2HB GLN 112 HB1 GLN 112 -10.125 8.660 -2.702 798 1HG GLN 112 HG2 GLN 112 -12.337 8.317 -2.490 799 2HG GLN 112 HG1 GLN 112 -11.843 6.629 -2.440 800 1HE2 GLN 112 HE21 GLN 112 -10.727 6.664 0.152 801 2HE2 GLN 112 HE22 GLN 112 -12.016 6.827 1.279 802 H VAL 113 HN VAL 113 -10.506 4.832 -1.044 803 HA VAL 113 HA VAL 113 -10.710 3.608 -3.715 804 HB VAL 113 HB VAL 113 -10.328 2.361 -1.001 805 1HG1 VAL 113 HG11 VAL 113 -10.360 0.218 -2.638 806 2HG1 VAL 113 HG12 VAL 113 -11.581 1.221 -3.420 807 3HG1 VAL 113 HG13 VAL 113 -11.765 0.768 -1.726 808 1HG2 VAL 113 HG21 VAL 113 -8.312 3.082 -2.186 809 2HG2 VAL 113 HG22 VAL 113 -8.776 2.098 -3.574 810 3HG2 VAL 113 HG23 VAL 113 -8.382 1.326 -2.038 811 H THR 114 HN THR 114 -12.735 3.658 -4.449 812 HA THR 114 HA THR 114 -14.946 3.759 -2.536 813 HB THR 114 HB THR 114 -14.905 4.345 -5.501 814 HG1 THR 114 HG1 THR 114 -14.825 5.995 -3.211 815 1HG2 THR 114 HG21 THR 114 -17.097 4.438 -3.481 816 2HG2 THR 114 HG22 THR 114 -17.121 3.838 -5.140 817 3HG2 THR 114 HG23 THR 114 -17.077 5.574 -4.830 818 H VAL 115 HN VAL 115 -15.701 1.816 -2.010 819 HA VAL 115 HA VAL 115 -15.935 -0.226 -4.118 820 HB VAL 115 HB VAL 115 -16.325 -1.035 -1.293 821 1HG1 VAL 115 HG11 VAL 115 -16.175 -2.984 -2.355 822 2HG1 VAL 115 HG12 VAL 115 -14.455 -2.662 -2.574 823 3HG1 VAL 115 HG13 VAL 115 -15.605 -2.205 -3.831 824 1HG2 VAL 115 HG21 VAL 115 -14.417 0.566 -1.165 825 2HG2 VAL 115 HG22 VAL 115 -13.552 -0.443 -2.323 826 3HG2 VAL 115 HG23 VAL 115 -13.987 -1.091 -0.742 827 H SER 116 HN SER 116 -17.795 -1.862 -2.629 828 HA SER 116 HA SER 116 -20.010 -2.095 -2.121 829 1HB SER 116 HB2 SER 116 -19.607 0.376 -1.154 830 2HB SER 116 HB1 SER 116 -20.698 0.771 -2.482 831 HG SER 116 HG SER 116 -22.264 -0.452 -1.576 832 H SER 117 HN SER 117 -19.657 0.549 -4.471 833 HA SER 117 HA SER 117 -20.677 -1.067 -6.601 834 1HB SER 117 HB2 SER 117 -22.660 -0.017 -5.086 835 2HB SER 117 HB1 SER 117 -22.410 1.305 -6.227 836 HG SER 117 HG SER 117 -23.436 -1.227 -6.639 Start of MODEL 3 1 1H GLN 1 HT1 GLN 1 12.706 15.030 2.184 2 2H GLN 1 HT2 GLN 1 13.747 15.684 3.382 3 3H GLN 1 HT3 GLN 1 12.708 14.374 3.767 4 HA GLN 1 HA GLN 1 15.120 14.408 2.110 5 1HB GLN 1 HB2 GLN 1 15.333 14.013 4.517 6 2HB GLN 1 HB1 GLN 1 14.135 12.730 4.427 7 1HG GLN 1 HG2 GLN 1 15.737 11.267 4.022 8 2HG GLN 1 HG1 GLN 1 16.153 12.130 2.543 9 1HE2 GLN 1 HE21 GLN 1 18.319 11.374 3.007 10 2HE2 GLN 1 HE22 GLN 1 19.312 12.267 4.104 11 H VAL 2 HN VAL 2 12.323 12.382 2.999 12 HA VAL 2 HA VAL 2 12.720 10.888 0.494 13 HB VAL 2 HB VAL 2 10.934 9.401 2.001 14 1HG1 VAL 2 HG11 VAL 2 13.880 9.178 1.495 15 2HG1 VAL 2 HG12 VAL 2 12.553 8.311 0.722 16 3HG1 VAL 2 HG13 VAL 2 13.000 7.936 2.387 17 1HG2 VAL 2 HG21 VAL 2 11.998 9.092 4.182 18 2HG2 VAL 2 HG22 VAL 2 11.395 10.738 3.989 19 3HG2 VAL 2 HG23 VAL 2 13.119 10.406 3.822 20 H GLN 3 HN GLN 3 10.827 10.229 -0.677 21 HA GLN 3 HA GLN 3 8.351 11.647 -0.052 22 1HB GLN 3 HB2 GLN 3 9.976 12.010 -2.556 23 2HB GLN 3 HB1 GLN 3 8.241 12.294 -2.544 24 1HG GLN 3 HG2 GLN 3 9.638 13.636 -0.370 25 2HG GLN 3 HG1 GLN 3 10.182 14.139 -1.970 26 1HE2 GLN 3 HE21 GLN 3 8.948 15.487 -3.128 27 2HE2 GLN 3 HE22 GLN 3 7.381 16.042 -2.658 28 H LEU 4 HN LEU 4 6.495 10.762 -1.025 29 HA LEU 4 HA LEU 4 6.795 8.377 -2.666 30 1HB LEU 4 HB2 LEU 4 5.348 8.333 -0.016 31 2HB LEU 4 HB1 LEU 4 5.365 7.028 -1.187 32 HG LEU 4 HG LEU 4 8.015 7.314 -0.810 33 1HD1 LEU 4 HD11 LEU 4 7.183 7.587 2.001 34 2HD1 LEU 4 HD12 LEU 4 7.144 9.066 1.040 35 3HD1 LEU 4 HD13 LEU 4 8.643 8.147 1.185 36 1HD2 LEU 4 HD21 LEU 4 6.165 5.401 -0.338 37 2HD2 LEU 4 HD22 LEU 4 6.719 5.733 1.303 38 3HD2 LEU 4 HD23 LEU 4 7.875 5.245 0.063 39 H GLN 5 HN GLN 5 4.873 7.764 -3.757 40 HA GLN 5 HA GLN 5 2.478 9.345 -3.399 41 1HB GLN 5 HB2 GLN 5 2.428 10.241 -5.656 42 2HB GLN 5 HB1 GLN 5 3.876 10.793 -4.825 43 1HG GLN 5 HG2 GLN 5 3.919 8.395 -6.619 44 2HG GLN 5 HG1 GLN 5 4.091 10.031 -7.253 45 1HE2 GLN 5 HE21 GLN 5 6.004 11.050 -7.081 46 2HE2 GLN 5 HE22 GLN 5 7.407 10.378 -6.329 47 H GLU 6 HN GLU 6 0.839 8.727 -5.196 48 HA GLU 6 HA GLU 6 1.086 5.828 -5.684 49 1HB GLU 6 HB2 GLU 6 -1.651 6.769 -5.758 50 2HB GLU 6 HB1 GLU 6 -0.939 5.496 -4.780 51 1HG GLU 6 HG2 GLU 6 -0.734 8.407 -4.068 52 2HG GLU 6 HG1 GLU 6 -2.060 7.375 -3.536 53 H SER 7 HN SER 7 -0.235 5.033 -7.538 54 HA SER 7 HA SER 7 -0.891 6.932 -9.607 55 1HB SER 7 HB2 SER 7 1.684 5.521 -9.594 56 2HB SER 7 HB1 SER 7 0.771 5.318 -11.089 57 HG SER 7 HG SER 7 1.179 7.854 -9.907 58 H GLY 8 HN GLY 8 -2.895 6.106 -9.881 59 1HA GLY 8 HA2 GLY 8 -4.181 4.604 -11.254 60 2HA GLY 8 HA1 GLY 8 -3.042 3.328 -10.849 61 H GLY 9 HN GLY 9 -5.746 5.232 -9.699 62 1HA GLY 9 HA2 GLY 9 -6.784 3.103 -8.195 63 2HA GLY 9 HA1 GLY 9 -6.017 4.267 -7.132 64 H GLY 10 HN GLY 10 -8.824 3.544 -7.257 65 1HA GLY 10 HA2 GLY 10 -10.045 5.982 -6.893 66 2HA GLY 10 HA1 GLY 10 -10.256 5.621 -8.598 67 H LEU 11 HN LEU 11 -12.511 5.557 -8.242 68 HA LEU 11 HA LEU 11 -13.732 3.798 -6.432 69 1HB LEU 11 HB2 LEU 11 -14.892 4.952 -8.956 70 2HB LEU 11 HB1 LEU 11 -15.788 4.316 -7.585 71 HG LEU 11 HG LEU 11 -14.102 6.247 -6.507 72 1HD1 LEU 11 HD11 LEU 11 -14.920 6.939 -9.253 73 2HD1 LEU 11 HD12 LEU 11 -13.568 7.528 -8.285 74 3HD1 LEU 11 HD13 LEU 11 -15.186 8.184 -8.032 75 1HD2 LEU 11 HD21 LEU 11 -16.738 7.289 -7.009 76 2HD2 LEU 11 HD22 LEU 11 -16.016 6.751 -5.493 77 3HD2 LEU 11 HD23 LEU 11 -16.826 5.590 -6.545 78 H VAL 12 HN VAL 12 -14.352 1.718 -6.616 79 HA VAL 12 HA VAL 12 -14.239 0.415 -9.233 80 HB VAL 12 HB VAL 12 -12.035 0.039 -8.274 81 1HG1 VAL 12 HG11 VAL 12 -12.998 -1.672 -6.085 82 2HG1 VAL 12 HG12 VAL 12 -13.236 0.060 -5.853 83 3HG1 VAL 12 HG13 VAL 12 -11.618 -0.577 -6.149 84 1HG2 VAL 12 HG21 VAL 12 -13.217 -2.629 -7.876 85 2HG2 VAL 12 HG22 VAL 12 -11.937 -2.105 -8.969 86 3HG2 VAL 12 HG23 VAL 12 -13.626 -1.829 -9.393 87 H GLN 13 HN GLN 13 -15.903 -0.919 -9.544 88 HA GLN 13 HA GLN 13 -17.880 -1.262 -7.532 89 1HB GLN 13 HB2 GLN 13 -19.047 -1.394 -9.441 90 2HB GLN 13 HB1 GLN 13 -17.602 -1.723 -10.380 91 1HG GLN 13 HG2 GLN 13 -18.958 -3.551 -10.781 92 2HG GLN 13 HG1 GLN 13 -17.842 -4.133 -9.550 93 1HE2 GLN 13 HE21 GLN 13 -21.105 -3.201 -10.260 94 2HE2 GLN 13 HE22 GLN 13 -21.819 -3.821 -8.814 95 H ALA 14 HN ALA 14 -18.217 -2.907 -6.151 96 HA ALA 14 HA ALA 14 -16.276 -4.629 -5.333 97 1HB ALA 14 HB1 ALA 14 -18.776 -4.076 -4.490 98 2HB ALA 14 HB2 ALA 14 -17.789 -5.391 -3.852 99 3HB ALA 14 HB3 ALA 14 -18.998 -5.719 -5.093 100 H GLY 15 HN GLY 15 -15.952 -6.900 -5.519 101 1HA GLY 15 HA2 GLY 15 -16.075 -8.982 -6.577 102 2HA GLY 15 HA1 GLY 15 -17.198 -8.298 -7.741 103 H GLY 16 HN GLY 16 -14.903 -6.063 -7.795 104 1HA GLY 16 HA2 GLY 16 -13.500 -7.397 -10.009 105 2HA GLY 16 HA1 GLY 16 -13.672 -5.660 -9.809 106 H SER 17 HN SER 17 -11.339 -5.681 -10.234 107 HA SER 17 HA SER 17 -9.859 -5.986 -7.730 108 1HB SER 17 HB2 SER 17 -9.548 -7.835 -9.670 109 2HB SER 17 HB1 SER 17 -8.358 -6.642 -10.185 110 HG SER 17 HG SER 17 -7.484 -6.758 -8.045 111 H LEU 18 HN LEU 18 -8.320 -4.435 -7.345 112 HA LEU 18 HA LEU 18 -7.907 -2.422 -9.451 113 1HB LEU 18 HB2 LEU 18 -9.531 -1.582 -7.822 114 2HB LEU 18 HB1 LEU 18 -8.399 -1.897 -6.520 115 HG LEU 18 HG LEU 18 -6.855 -0.290 -7.946 116 1HD1 LEU 18 HD11 LEU 18 -8.010 0.385 -9.768 117 2HD1 LEU 18 HD12 LEU 18 -8.646 1.576 -8.634 118 3HD1 LEU 18 HD13 LEU 18 -9.579 0.126 -9.006 119 1HD2 LEU 18 HD21 LEU 18 -7.936 1.631 -6.625 120 2HD2 LEU 18 HD22 LEU 18 -7.290 0.260 -5.723 121 3HD2 LEU 18 HD23 LEU 18 -9.026 0.395 -5.997 122 H ARG 19 HN ARG 19 -5.841 -1.836 -9.776 123 HA ARG 19 HA ARG 19 -3.839 -2.863 -7.878 124 1HB ARG 19 HB2 ARG 19 -3.710 -3.898 -10.083 125 2HB ARG 19 HB1 ARG 19 -3.582 -2.315 -10.835 126 1HG ARG 19 HG2 ARG 19 -1.383 -2.649 -10.761 127 2HG ARG 19 HG1 ARG 19 -1.516 -2.275 -9.042 128 1HD ARG 19 HD2 ARG 19 -0.342 -4.296 -9.103 129 2HD ARG 19 HD1 ARG 19 -2.000 -4.766 -8.725 130 HE ARG 19 HE ARG 19 -2.023 -5.962 -10.660 131 1HH1 ARG 19 HH11 ARG 19 0.424 -3.490 -10.943 132 2HH1 ARG 19 HH12 ARG 19 0.963 -4.026 -12.499 133 1HH2 ARG 19 HH21 ARG 19 -1.315 -6.668 -12.707 134 2HH2 ARG 19 HH22 ARG 19 -0.023 -5.832 -13.500 135 H LEU 20 HN LEU 20 -2.903 -1.367 -6.669 136 HA LEU 20 HA LEU 20 -2.708 1.375 -7.693 137 1HB LEU 20 HB2 LEU 20 -2.211 0.592 -4.843 138 2HB LEU 20 HB1 LEU 20 -2.695 2.148 -5.488 139 HG LEU 20 HG LEU 20 -4.475 -0.286 -5.451 140 1HD1 LEU 20 HD11 LEU 20 -5.591 1.450 -3.708 141 2HD1 LEU 20 HD12 LEU 20 -3.877 1.740 -3.408 142 3HD1 LEU 20 HD13 LEU 20 -4.539 0.114 -3.241 143 1HD2 LEU 20 HD21 LEU 20 -5.505 0.964 -7.012 144 2HD2 LEU 20 HD22 LEU 20 -4.696 2.449 -6.514 145 3HD2 LEU 20 HD23 LEU 20 -6.094 1.862 -5.614 146 H SER 21 HN SER 21 -0.798 2.311 -8.022 147 HA SER 21 HA SER 21 1.621 0.762 -7.367 148 1HB SER 21 HB2 SER 21 2.631 1.522 -9.341 149 2HB SER 21 HB1 SER 21 0.962 1.237 -9.833 150 HG SER 21 HG SER 21 0.706 3.582 -9.260 151 H CYS 22 HN CYS 22 3.208 1.699 -6.196 152 HA CYS 22 HA CYS 22 3.032 4.584 -5.686 153 1HB CYS 22 HB2 CYS 22 2.793 2.384 -3.738 154 2HB CYS 22 HB1 CYS 22 3.898 3.674 -3.272 155 H ALA 23 HN ALA 23 4.892 5.592 -5.972 156 HA ALA 23 HA ALA 23 7.345 3.982 -6.132 157 1HB ALA 23 HB1 ALA 23 8.097 6.345 -7.160 158 2HB ALA 23 HB2 ALA 23 6.373 6.395 -7.527 159 3HB ALA 23 HB3 ALA 23 7.362 5.060 -8.118 160 H ALA 24 HN ALA 24 9.292 4.750 -5.179 161 HA ALA 24 HA ALA 24 8.959 6.803 -3.103 162 1HB ALA 24 HB1 ALA 24 10.269 4.121 -2.668 163 2HB ALA 24 HB2 ALA 24 8.694 4.612 -2.043 164 3HB ALA 24 HB3 ALA 24 10.157 5.428 -1.490 165 H SER 25 HN SER 25 10.353 8.362 -3.580 166 HA SER 25 HA SER 25 12.933 7.652 -4.789 167 1HB SER 25 HB2 SER 25 11.938 10.473 -4.573 168 2HB SER 25 HB1 SER 25 12.983 9.749 -5.795 169 HG SER 25 HG SER 25 11.136 8.598 -6.548 170 H GLY 26 HN GLY 26 14.858 8.774 -4.063 171 1HA GLY 26 HA2 GLY 26 15.905 10.217 -2.397 172 2HA GLY 26 HA1 GLY 26 14.682 9.678 -1.257 173 H ARG 27 HN ARG 27 17.658 9.598 -1.172 174 HA ARG 27 HA ARG 27 18.485 6.890 -1.432 175 1HB ARG 27 HB2 ARG 27 20.076 8.753 -1.496 176 2HB ARG 27 HB1 ARG 27 19.692 9.151 0.172 177 1HG ARG 27 HG2 ARG 27 20.629 7.063 0.932 178 2HG ARG 27 HG1 ARG 27 20.915 6.553 -0.733 179 1HD ARG 27 HD2 ARG 27 22.770 7.809 -0.931 180 2HD ARG 27 HD1 ARG 27 22.074 9.156 -0.031 181 HE ARG 27 HE ARG 27 22.748 6.891 1.607 182 1HH1 ARG 27 HH11 ARG 27 23.942 9.832 0.157 183 2HH1 ARG 27 HH12 ARG 27 25.219 10.030 1.310 184 1HH2 ARG 27 HH21 ARG 27 24.426 7.149 3.125 185 2HH2 ARG 27 HH22 ARG 27 25.493 8.507 2.997 186 H THR 28 HN THR 28 18.546 5.253 0.030 187 HA THR 28 HA THR 28 18.053 5.687 2.828 188 HB THR 28 HB THR 28 15.762 5.793 1.933 189 HG1 THR 28 HG1 THR 28 15.575 4.939 3.860 190 1HG2 THR 28 HG21 THR 28 15.616 2.943 1.293 191 2HG2 THR 28 HG22 THR 28 16.489 3.923 0.115 192 3HG2 THR 28 HG23 THR 28 14.824 4.325 0.537 193 H GLY 29 HN GLY 29 19.134 4.202 3.943 194 1HA GLY 29 HA2 GLY 29 19.463 1.517 2.838 195 2HA GLY 29 HA1 GLY 29 20.909 2.437 3.222 196 H SER 30 HN SER 30 17.906 2.496 5.036 197 HA SER 30 HA SER 30 19.326 1.268 7.309 198 1HB SER 30 HB2 SER 30 18.578 3.755 7.399 199 2HB SER 30 HB1 SER 30 16.957 3.092 7.607 200 HG SER 30 HG SER 30 18.555 3.528 9.514 201 H THR 31 HN THR 31 18.123 -0.435 5.535 202 HA THR 31 HA THR 31 16.648 -2.165 5.405 203 HB THR 31 HB THR 31 15.679 -1.736 8.187 204 HG1 THR 31 HG1 THR 31 18.352 -2.402 7.527 205 1HG2 THR 31 HG21 THR 31 16.489 -4.203 8.249 206 2HG2 THR 31 HG22 THR 31 16.449 -4.058 6.491 207 3HG2 THR 31 HG23 THR 31 14.983 -3.784 7.433 208 H TYR 32 HN TYR 32 15.794 0.514 4.742 209 HA TYR 32 HA TYR 32 13.173 1.016 5.668 210 1HB TYR 32 HB2 TYR 32 13.900 2.941 4.757 211 2HB TYR 32 HB1 TYR 32 15.068 2.120 3.743 212 HD1 TYR 32 HD1 TYR 32 12.132 4.059 3.747 213 HD2 TYR 32 HD2 TYR 32 14.063 0.916 1.627 214 HE1 TYR 32 HE1 TYR 32 10.785 4.578 1.756 215 HE2 TYR 32 HE2 TYR 32 12.718 1.424 -0.366 216 HH TYR 32 HH TYR 32 11.455 3.214 -1.327 217 H ASP 33 HN ASP 33 11.211 0.447 4.881 218 HA ASP 33 HA ASP 33 11.145 -1.382 2.570 219 1HB ASP 33 HB2 ASP 33 9.389 -1.533 5.030 220 2HB ASP 33 HB1 ASP 33 9.385 -2.651 3.671 221 H MET 34 HN MET 34 8.561 -1.655 2.049 222 HA MET 34 HA MET 34 7.281 0.965 2.091 223 1HB MET 34 HB2 MET 34 8.780 0.195 -0.108 224 2HB MET 34 HB1 MET 34 7.134 -0.214 -0.574 225 1HG MET 34 HG2 MET 34 6.537 2.159 0.179 226 2HG MET 34 HG1 MET 34 8.273 2.462 0.137 227 1HE MET 34 HE1 MET 34 9.508 1.134 -1.721 228 2HE MET 34 HE2 MET 34 9.510 2.232 -3.101 229 3HE MET 34 HE3 MET 34 8.774 0.636 -3.245 230 H GLY 35 HN GLY 35 5.169 0.766 2.487 231 1HA GLY 35 HA2 GLY 35 3.715 -1.557 1.469 232 2HA GLY 35 HA1 GLY 35 3.763 -1.355 3.213 233 H TRP 36 HN TRP 36 1.365 -1.400 1.799 234 HA TRP 36 HA TRP 36 0.509 1.354 1.507 235 1HB TRP 36 HB2 TRP 36 -0.851 -1.267 1.007 236 2HB TRP 36 HB1 TRP 36 -1.657 0.275 0.833 237 HD1 TRP 36 HD1 TRP 36 1.154 -1.809 -0.756 238 HE1 TRP 36 HE1 TRP 36 1.534 -0.965 -3.158 239 HE3 TRP 36 HE3 TRP 36 -1.963 2.243 -0.695 240 HZ2 TRP 36 HZ2 TRP 36 0.630 1.141 -4.809 241 HZ3 TRP 36 HZ3 TRP 36 -2.148 3.620 -2.726 242 HH2 TRP 36 HH2 TRP 36 -0.875 3.080 -4.739 243 H PHE 37 HN PHE 37 -1.329 2.195 2.582 244 HA PHE 37 HA PHE 37 -2.049 0.885 5.095 245 1HB PHE 37 HB2 PHE 37 -0.710 3.506 4.684 246 2HB PHE 37 HB1 PHE 37 -1.962 3.431 5.909 247 HD1 PHE 37 HD1 PHE 37 -1.307 2.950 8.051 248 HD2 PHE 37 HD2 PHE 37 1.019 1.478 4.806 249 HE1 PHE 37 HE1 PHE 37 0.317 2.016 9.645 250 HE2 PHE 37 HE2 PHE 37 2.645 0.536 6.393 251 HZ PHE 37 HZ PHE 37 2.296 0.805 8.816 252 H ARG 38 HN ARG 38 -3.787 2.504 6.178 253 HA ARG 38 HA ARG 38 -5.566 3.669 4.214 254 1HB ARG 38 HB2 ARG 38 -7.182 1.976 5.862 255 2HB ARG 38 HB1 ARG 38 -7.093 2.056 4.115 256 1HG ARG 38 HG2 ARG 38 -5.583 0.326 3.975 257 2HG ARG 38 HG1 ARG 38 -5.012 0.548 5.630 258 1HD ARG 38 HD2 ARG 38 -6.294 -1.417 5.689 259 2HD ARG 38 HD1 ARG 38 -7.340 -0.166 6.361 260 HE ARG 38 HE ARG 38 -7.674 -0.571 3.533 261 1HH1 ARG 38 HH11 ARG 38 -8.660 -1.611 6.716 262 2HH1 ARG 38 HH12 ARG 38 -10.179 -2.242 6.175 263 1HH2 ARG 38 HH21 ARG 38 -9.671 -1.400 2.822 264 2HH2 ARG 38 HH22 ARG 38 -10.753 -2.124 3.965 265 H GLN 39 HN GLN 39 -7.461 4.749 5.268 266 HA GLN 39 HA GLN 39 -7.433 5.110 8.096 267 1HB GLN 39 HB2 GLN 39 -5.471 6.444 7.623 268 2HB GLN 39 HB1 GLN 39 -6.333 7.337 6.380 269 1HG GLN 39 HG2 GLN 39 -6.090 8.636 8.424 270 2HG GLN 39 HG1 GLN 39 -7.781 8.322 8.059 271 1HE2 GLN 39 HE21 GLN 39 -6.294 8.932 10.567 272 2HE2 GLN 39 HE22 GLN 39 -6.793 7.702 11.665 273 H ALA 40 HN ALA 40 -9.405 5.644 8.736 274 HA ALA 40 HA ALA 40 -11.223 6.890 6.778 275 1HB ALA 40 HB1 ALA 40 -11.533 4.605 8.573 276 2HB ALA 40 HB2 ALA 40 -12.430 5.033 7.116 277 3HB ALA 40 HB3 ALA 40 -12.862 5.761 8.663 278 HA PRO 41 HA PRO 41 -11.957 10.223 9.557 279 1HB PRO 41 HB2 PRO 41 -14.633 10.627 9.489 280 2HB PRO 41 HB1 PRO 41 -13.586 10.983 8.110 281 1HG PRO 41 HG2 PRO 41 -15.316 8.591 8.608 282 2HG PRO 41 HG1 PRO 41 -15.081 9.510 7.110 283 1HD PRO 41 HD2 PRO 41 -13.830 7.146 7.613 284 2HD PRO 41 HD1 PRO 41 -13.121 8.419 6.601 285 H GLY 42 HN GLY 42 -12.098 10.580 11.667 286 1HA GLY 42 HA2 GLY 42 -12.605 10.269 13.888 287 2HA GLY 42 HA1 GLY 42 -14.036 9.385 13.373 288 H LYS 43 HN LYS 43 -11.461 7.992 11.837 289 HA LYS 43 HA LYS 43 -11.114 6.002 13.970 290 1HB LYS 43 HB2 LYS 43 -12.467 5.358 11.933 291 2HB LYS 43 HB1 LYS 43 -10.990 5.526 11.001 292 1HG LYS 43 HG2 LYS 43 -10.987 3.275 11.416 293 2HG LYS 43 HG1 LYS 43 -10.030 3.861 12.777 294 1HD LYS 43 HD2 LYS 43 -11.843 3.651 14.272 295 2HD LYS 43 HD1 LYS 43 -13.005 3.468 12.957 296 1HE LYS 43 HE2 LYS 43 -11.425 1.380 12.421 297 2HE LYS 43 HE1 LYS 43 -11.163 1.487 14.161 298 1HZ LYS 43 HZ1 LYS 43 -13.926 1.640 13.272 299 2HZ LYS 43 HZ2 LYS 43 -13.260 0.840 14.605 300 3HZ LYS 43 HZ3 LYS 43 -13.168 0.140 13.068 301 H GLU 44 HN GLU 44 -9.075 4.994 14.114 302 HA GLU 44 HA GLU 44 -6.867 6.718 13.479 303 1HB GLU 44 HB2 GLU 44 -6.602 3.923 14.555 304 2HB GLU 44 HB1 GLU 44 -5.549 5.304 14.822 305 1HG GLU 44 HG2 GLU 44 -7.512 6.362 16.045 306 2HG GLU 44 HG1 GLU 44 -8.244 4.759 16.016 307 H ARG 45 HN ARG 45 -4.968 6.051 12.288 308 HA ARG 45 HA ARG 45 -5.639 4.876 9.791 309 1HB ARG 45 HB2 ARG 45 -3.407 5.351 9.124 310 2HB ARG 45 HB1 ARG 45 -3.909 6.674 10.166 311 1HG ARG 45 HG2 ARG 45 -2.520 6.008 11.897 312 2HG ARG 45 HG1 ARG 45 -2.391 4.356 11.291 313 1HD ARG 45 HD2 ARG 45 -0.352 5.148 10.654 314 2HD ARG 45 HD1 ARG 45 -1.291 5.576 9.224 315 HE ARG 45 HE ARG 45 -0.798 7.747 9.674 316 1HH1 ARG 45 HH11 ARG 45 -0.684 5.982 12.683 317 2HH1 ARG 45 HH12 ARG 45 -0.209 7.360 13.617 318 1HH2 ARG 45 HH21 ARG 45 -0.172 9.560 10.902 319 2HH2 ARG 45 HH22 ARG 45 0.080 9.391 12.607 320 H GLU 46 HN GLU 46 -5.078 2.931 8.897 321 HA GLU 46 HA GLU 46 -3.762 0.960 10.632 322 1HB GLU 46 HB2 GLU 46 -5.387 -0.740 10.031 323 2HB GLU 46 HB1 GLU 46 -6.211 0.630 10.764 324 1HG GLU 46 HG2 GLU 46 -6.859 1.425 8.547 325 2HG GLU 46 HG1 GLU 46 -6.040 0.045 7.817 326 H SER 47 HN SER 47 -2.477 -0.540 9.556 327 HA SER 47 HA SER 47 -1.706 0.218 6.890 328 1HB SER 47 HB2 SER 47 -0.087 -0.406 8.734 329 2HB SER 47 HB1 SER 47 -0.606 -2.067 8.520 330 HG SER 47 HG SER 47 1.309 -1.337 7.294 331 H VAL 48 HN VAL 48 -1.139 -1.649 5.395 332 HA VAL 48 HA VAL 48 -3.318 -3.628 5.338 333 HB VAL 48 HB VAL 48 -2.288 -2.508 2.782 334 1HG1 VAL 48 HG11 VAL 48 -4.596 -4.076 3.727 335 2HG1 VAL 48 HG12 VAL 48 -3.700 -4.173 2.211 336 3HG1 VAL 48 HG13 VAL 48 -4.918 -2.917 2.437 337 1HG2 VAL 48 HG21 VAL 48 -4.009 -1.085 4.727 338 2HG2 VAL 48 HG22 VAL 48 -4.475 -1.011 3.027 339 3HG2 VAL 48 HG23 VAL 48 -2.882 -0.445 3.530 340 H ALA 49 HN ALA 49 -0.435 -2.837 3.400 341 HA ALA 49 HA ALA 49 0.730 -5.419 4.074 342 1HB ALA 49 HB1 ALA 49 0.323 -4.633 1.192 343 2HB ALA 49 HB2 ALA 49 -0.698 -5.781 2.059 344 3HB ALA 49 HB3 ALA 49 1.011 -6.136 1.807 345 H ALA 50 HN ALA 50 2.988 -5.605 3.300 346 HA ALA 50 HA ALA 50 4.307 -3.233 2.357 347 1HB ALA 50 HB1 ALA 50 5.282 -2.442 4.229 348 2HB ALA 50 HB2 ALA 50 5.412 -4.038 4.969 349 3HB ALA 50 HB3 ALA 50 3.876 -3.171 5.005 350 H ILE 51 HN ILE 51 6.356 -3.612 1.602 351 HA ILE 51 HA ILE 51 7.344 -6.376 1.833 352 HB ILE 51 HB ILE 51 6.420 -6.001 -0.394 353 1HG1 ILE 51 HG12 ILE 51 9.258 -5.931 -1.121 354 2HG1 ILE 51 HG11 ILE 51 8.904 -7.038 0.202 355 1HG2 ILE 51 HG21 ILE 51 6.489 -3.797 -0.949 356 2HG2 ILE 51 HG22 ILE 51 7.920 -4.347 -1.822 357 3HG2 ILE 51 HG23 ILE 51 8.092 -3.556 -0.254 358 1HD1 ILE 51 HD11 ILE 51 7.794 -8.471 -1.124 359 2HD1 ILE 51 HD12 ILE 51 8.763 -7.709 -2.385 360 3HD1 ILE 51 HD13 ILE 51 7.099 -7.189 -2.116 361 H ASN 52 HN ASN 52 9.543 -6.671 2.041 362 HA ASN 52 HA ASN 52 11.017 -4.417 3.041 363 1HB ASN 52 HB2 ASN 52 11.506 -7.363 2.837 364 2HB ASN 52 HB1 ASN 52 12.813 -6.269 3.238 365 1HD2 ASN 52 HD21 ASN 52 12.862 -5.276 5.220 366 2HD2 ASN 52 HD22 ASN 52 11.793 -5.699 6.509 367 H TRP 53 HN TRP 53 13.478 -4.478 2.366 368 HA TRP 53 HA TRP 53 13.571 -4.399 -0.575 369 1HB TRP 53 HB2 TRP 53 13.621 -2.186 0.659 370 2HB TRP 53 HB1 TRP 53 15.184 -2.676 1.300 371 HD1 TRP 53 HD1 TRP 53 17.109 -1.641 -0.019 372 HE1 TRP 53 HE1 TRP 53 17.522 -0.949 -2.464 373 HE3 TRP 53 HE3 TRP 53 12.604 -2.999 -2.019 374 HZ2 TRP 53 HZ2 TRP 53 16.122 -0.976 -4.916 375 HZ3 TRP 53 HZ3 TRP 53 12.221 -2.632 -4.422 376 HH2 TRP 53 HH2 TRP 53 13.945 -1.640 -5.839 377 H ASP 54 HN ASP 54 15.338 -5.098 2.393 378 HA ASP 54 HA ASP 54 17.734 -5.929 1.089 379 1HB ASP 54 HB2 ASP 54 16.689 -5.925 3.865 380 2HB ASP 54 HB1 ASP 54 17.947 -7.101 3.500 381 H SER 55 HN SER 55 15.120 -7.743 2.712 382 HA SER 55 HA SER 55 16.164 -10.229 1.648 383 1HB SER 55 HB2 SER 55 15.381 -10.359 3.900 384 2HB SER 55 HB1 SER 55 13.848 -9.596 3.481 385 HG SER 55 HG SER 55 13.147 -11.544 3.180 386 H ALA 56 HN ALA 56 12.717 -10.011 1.864 387 HA ALA 56 HA ALA 56 12.024 -9.208 -0.705 388 1HB ALA 56 HB1 ALA 56 13.033 -11.967 -0.499 389 2HB ALA 56 HB2 ALA 56 12.998 -10.872 -1.881 390 3HB ALA 56 HB3 ALA 56 11.543 -11.755 -1.418 391 H ARG 57 HN ARG 57 11.398 -11.433 1.945 392 HA ARG 57 HA ARG 57 8.811 -12.179 1.601 393 1HB ARG 57 HB2 ARG 57 9.870 -11.153 4.235 394 2HB ARG 57 HB1 ARG 57 8.606 -12.350 3.988 395 1HG ARG 57 HG2 ARG 57 10.663 -13.518 2.677 396 2HG ARG 57 HG1 ARG 57 11.527 -12.642 3.942 397 1HD ARG 57 HD2 ARG 57 9.177 -13.985 4.976 398 2HD ARG 57 HD1 ARG 57 10.275 -15.111 4.180 399 HE ARG 57 HE ARG 57 11.791 -14.788 5.870 400 1HH1 ARG 57 HH11 ARG 57 9.321 -12.330 6.062 401 2HH1 ARG 57 HH12 ARG 57 9.852 -11.740 7.600 402 1HH2 ARG 57 HH21 ARG 57 12.491 -14.012 7.895 403 2HH2 ARG 57 HH22 ARG 57 11.650 -12.695 8.642 404 H THR 58 HN THR 58 6.764 -11.368 2.112 405 HA THR 58 HA THR 58 6.616 -8.430 2.154 406 HB THR 58 HB THR 58 4.145 -9.819 1.475 407 HG1 THR 58 HG1 THR 58 4.787 -10.905 -0.238 408 1HG2 THR 58 HG21 THR 58 5.578 -7.454 0.692 409 2HG2 THR 58 HG22 THR 58 3.867 -7.849 0.520 410 3HG2 THR 58 HG23 THR 58 5.018 -8.356 -0.716 411 H TYR 59 HN TYR 59 4.249 -7.811 2.982 412 HA TYR 59 HA TYR 59 3.624 -9.281 5.433 413 1HB TYR 59 HB2 TYR 59 5.177 -7.558 6.145 414 2HB TYR 59 HB1 TYR 59 4.260 -6.329 5.282 415 HD1 TYR 59 HD1 TYR 59 2.481 -5.204 6.330 416 HD2 TYR 59 HD2 TYR 59 4.075 -8.721 8.116 417 HE1 TYR 59 HE1 TYR 59 1.149 -4.773 8.351 418 HE2 TYR 59 HE2 TYR 59 2.747 -8.301 10.142 419 HH TYR 59 HH TYR 59 1.280 -5.375 10.805 420 H TYR 60 HN TYR 60 1.471 -9.173 6.030 421 HA TYR 60 HA TYR 60 -0.278 -7.511 4.356 422 1HB TYR 60 HB2 TYR 60 -0.318 -10.438 4.841 423 2HB TYR 60 HB1 TYR 60 -1.867 -9.615 4.797 424 HD1 TYR 60 HD1 TYR 60 -0.007 -11.579 2.859 425 HD2 TYR 60 HD2 TYR 60 -1.612 -7.641 2.729 426 HE1 TYR 60 HE1 TYR 60 0.053 -11.642 0.402 427 HE2 TYR 60 HE2 TYR 60 -1.559 -7.694 0.272 428 HH TYR 60 HH TYR 60 -0.469 -8.839 -1.523 429 H ALA 61 HN ALA 61 -2.527 -7.363 5.319 430 HA ALA 61 HA ALA 61 -2.370 -7.252 8.260 431 1HB ALA 61 HB1 ALA 61 -3.527 -5.182 8.289 432 2HB ALA 61 HB2 ALA 61 -3.880 -5.277 6.563 433 3HB ALA 61 HB3 ALA 61 -2.224 -5.016 7.112 434 H SER 62 HN SER 62 -4.597 -7.102 9.276 435 HA SER 62 HA SER 62 -6.128 -9.327 8.415 436 1HB SER 62 HB2 SER 62 -6.774 -7.206 10.480 437 2HB SER 62 HB1 SER 62 -7.651 -8.722 10.272 438 HG SER 62 HG SER 62 -6.223 -9.293 11.754 439 H SER 63 HN SER 63 -8.317 -9.360 7.750 440 HA SER 63 HA SER 63 -10.230 -8.595 6.729 441 1HB SER 63 HB2 SER 63 -9.630 -6.333 7.939 442 2HB SER 63 HB1 SER 63 -9.117 -5.842 6.326 443 HG SER 63 HG SER 63 -11.162 -6.072 5.592 444 H VAL 64 HN VAL 64 -7.061 -8.491 5.622 445 HA VAL 64 HA VAL 64 -7.934 -8.965 2.907 446 HB VAL 64 HB VAL 64 -6.363 -7.328 1.922 447 1HG1 VAL 64 HG11 VAL 64 -8.432 -6.050 3.704 448 2HG1 VAL 64 HG12 VAL 64 -8.771 -6.838 2.164 449 3HG1 VAL 64 HG13 VAL 64 -7.770 -5.387 2.210 450 1HG2 VAL 64 HG21 VAL 64 -6.237 -5.713 4.378 451 2HG2 VAL 64 HG22 VAL 64 -5.029 -5.961 3.117 452 3HG2 VAL 64 HG23 VAL 64 -5.246 -7.172 4.381 453 H ARG 65 HN ARG 65 -6.334 -10.163 5.295 454 HA ARG 65 HA ARG 65 -3.758 -10.622 4.157 455 1HB ARG 65 HB2 ARG 65 -3.829 -10.468 6.518 456 2HB ARG 65 HB1 ARG 65 -5.178 -11.586 6.623 457 1HG ARG 65 HG2 ARG 65 -3.342 -12.798 7.358 458 2HG ARG 65 HG1 ARG 65 -3.590 -13.332 5.699 459 1HD ARG 65 HD2 ARG 65 -1.725 -12.209 4.916 460 2HD ARG 65 HD1 ARG 65 -1.718 -11.076 6.267 461 HE ARG 65 HE ARG 65 -0.481 -13.674 6.169 462 1HH1 ARG 65 HH11 ARG 65 -1.730 -11.164 8.248 463 2HH1 ARG 65 HH12 ARG 65 -0.771 -11.640 9.608 464 1HH2 ARG 65 HH21 ARG 65 0.781 -14.302 7.958 465 2HH2 ARG 65 HH22 ARG 65 0.655 -13.421 9.444 466 H GLY 66 HN GLY 66 -4.383 -11.513 2.210 467 1HA GLY 66 HA2 GLY 66 -4.040 -13.855 1.357 468 2HA GLY 66 HA1 GLY 66 -5.430 -14.261 2.351 469 H ARG 67 HN ARG 67 -6.038 -11.246 1.239 470 HA ARG 67 HA ARG 67 -7.542 -12.290 -1.069 471 1HB ARG 67 HB2 ARG 67 -8.176 -9.750 0.423 472 2HB ARG 67 HB1 ARG 67 -9.215 -10.661 -0.665 473 1HG ARG 67 HG2 ARG 67 -8.900 -12.545 1.139 474 2HG ARG 67 HG1 ARG 67 -8.536 -11.169 2.182 475 1HD ARG 67 HD2 ARG 67 -10.918 -10.875 0.479 476 2HD ARG 67 HD1 ARG 67 -11.028 -12.121 1.721 477 HE ARG 67 HE ARG 67 -10.055 -9.600 2.701 478 1HH1 ARG 67 HH11 ARG 67 -12.907 -11.480 1.988 479 2HH1 ARG 67 HH12 ARG 67 -13.910 -10.612 3.102 480 1HH2 ARG 67 HH21 ARG 67 -11.370 -8.458 4.166 481 2HH2 ARG 67 HH22 ARG 67 -13.037 -8.896 4.341 482 H PHE 68 HN PHE 68 -5.925 -9.337 0.104 483 HA PHE 68 HA PHE 68 -5.759 -8.211 -2.531 484 1HB PHE 68 HB2 PHE 68 -4.655 -7.427 0.158 485 2HB PHE 68 HB1 PHE 68 -4.204 -6.560 -1.305 486 HD1 PHE 68 HD1 PHE 68 -5.154 -4.581 -0.067 487 HD2 PHE 68 HD2 PHE 68 -7.551 -7.861 -1.339 488 HE1 PHE 68 HE1 PHE 68 -7.169 -3.186 0.138 489 HE2 PHE 68 HE2 PHE 68 -9.569 -6.470 -1.136 490 HZ PHE 68 HZ PHE 68 -9.380 -4.129 -0.399 491 H THR 69 HN THR 69 -3.879 -7.870 -3.769 492 HA THR 69 HA THR 69 -1.711 -9.777 -3.188 493 HB THR 69 HB THR 69 -2.385 -8.625 -5.893 494 HG1 THR 69 HG1 THR 69 -4.128 -9.797 -5.662 495 1HG2 THR 69 HG21 THR 69 -0.503 -10.657 -4.907 496 2HG2 THR 69 HG22 THR 69 -0.409 -9.603 -6.318 497 3HG2 THR 69 HG23 THR 69 -1.394 -11.066 -6.373 498 H ILE 70 HN ILE 70 0.442 -9.166 -3.640 499 HA ILE 70 HA ILE 70 0.932 -6.297 -4.006 500 HB ILE 70 HB ILE 70 0.998 -6.621 -1.617 501 1HG1 ILE 70 HG12 ILE 70 3.369 -5.993 -1.153 502 2HG1 ILE 70 HG11 ILE 70 3.771 -6.422 -2.813 503 1HG2 ILE 70 HG21 ILE 70 1.477 -9.118 -1.865 504 2HG2 ILE 70 HG22 ILE 70 2.214 -8.275 -0.502 505 3HG2 ILE 70 HG23 ILE 70 3.179 -8.655 -1.928 506 1HD1 ILE 70 HD11 ILE 70 2.021 -4.182 -1.854 507 2HD1 ILE 70 HD12 ILE 70 2.076 -4.706 -3.537 508 3HD1 ILE 70 HD13 ILE 70 3.531 -4.081 -2.759 509 H SER 71 HN SER 71 2.900 -5.789 -4.993 510 HA SER 71 HA SER 71 4.751 -7.938 -5.636 511 1HB SER 71 HB2 SER 71 3.787 -6.303 -7.951 512 2HB SER 71 HB1 SER 71 4.501 -7.916 -7.939 513 HG SER 71 HG SER 71 1.875 -7.169 -7.181 514 H ARG 72 HN ARG 72 6.597 -7.015 -7.038 515 HA ARG 72 HA ARG 72 7.154 -4.231 -6.272 516 1HB ARG 72 HB2 ARG 72 9.572 -5.018 -5.957 517 2HB ARG 72 HB1 ARG 72 8.419 -5.427 -4.695 518 1HG ARG 72 HG2 ARG 72 8.929 -7.373 -6.895 519 2HG ARG 72 HG1 ARG 72 10.095 -7.212 -5.581 520 1HD ARG 72 HD2 ARG 72 7.865 -7.378 -4.131 521 2HD ARG 72 HD1 ARG 72 7.324 -8.268 -5.552 522 HE ARG 72 HE ARG 72 9.376 -9.069 -3.656 523 1HH1 ARG 72 HH11 ARG 72 7.815 -9.670 -6.725 524 2HH1 ARG 72 HH12 ARG 72 8.352 -11.313 -6.812 525 1HH2 ARG 72 HH21 ARG 72 10.080 -11.227 -3.778 526 2HH2 ARG 72 HH22 ARG 72 9.635 -12.198 -5.142 527 H ASP 73 HN ASP 73 8.337 -3.026 -7.729 528 HA ASP 73 HA ASP 73 8.389 -4.052 -10.432 529 1HB ASP 73 HB2 ASP 73 7.742 -1.645 -9.574 530 2HB ASP 73 HB1 ASP 73 9.476 -1.362 -9.699 531 H ASN 74 HN ASN 74 10.699 -3.066 -7.962 532 HA ASN 74 HA ASN 74 12.952 -3.311 -7.774 533 1HB ASN 74 HB2 ASN 74 11.988 -5.733 -8.533 534 2HB ASN 74 HB1 ASN 74 13.140 -5.426 -9.829 535 1HD2 ASN 74 HD21 ASN 74 12.786 -5.595 -6.332 536 2HD2 ASN 74 HD22 ASN 74 14.425 -6.034 -6.004 537 H ALA 75 HN ALA 75 11.840 -1.563 -9.898 538 HA ALA 75 HA ALA 75 14.200 -1.493 -11.650 539 1HB ALA 75 HB1 ALA 75 11.319 -0.963 -12.274 540 2HB ALA 75 HB2 ALA 75 12.467 -2.004 -13.115 541 3HB ALA 75 HB3 ALA 75 12.605 -0.251 -13.249 542 H LYS 76 HN LYS 76 11.736 0.424 -9.988 543 HA LYS 76 HA LYS 76 13.698 2.572 -9.679 544 1HB LYS 76 HB2 LYS 76 11.784 4.219 -10.101 545 2HB LYS 76 HB1 LYS 76 12.495 3.432 -11.504 546 1HG LYS 76 HG2 LYS 76 10.248 1.953 -10.395 547 2HG LYS 76 HG1 LYS 76 9.819 3.583 -10.916 548 1HD LYS 76 HD2 LYS 76 11.009 3.055 -13.089 549 2HD LYS 76 HD1 LYS 76 11.057 1.377 -12.547 550 1HE LYS 76 HE2 LYS 76 8.519 1.635 -12.212 551 2HE LYS 76 HE1 LYS 76 8.676 3.074 -13.219 552 1HZ LYS 76 HZ1 LYS 76 8.259 1.520 -14.805 553 2HZ LYS 76 HZ2 LYS 76 8.977 0.255 -13.942 554 3HZ LYS 76 HZ3 LYS 76 9.945 1.380 -14.755 555 H LYS 77 HN LYS 77 12.586 0.507 -7.908 556 HA LYS 77 HA LYS 77 11.887 0.298 -5.757 557 1HB LYS 77 HB2 LYS 77 13.199 2.789 -5.916 558 2HB LYS 77 HB1 LYS 77 11.751 3.064 -4.959 559 1HG LYS 77 HG2 LYS 77 12.510 0.937 -3.677 560 2HG LYS 77 HG1 LYS 77 14.083 1.291 -4.396 561 1HD LYS 77 HD2 LYS 77 12.653 3.545 -3.111 562 2HD LYS 77 HD1 LYS 77 13.301 2.298 -2.045 563 1HE LYS 77 HE2 LYS 77 15.511 2.615 -2.919 564 2HE LYS 77 HE1 LYS 77 14.912 3.710 -4.164 565 1HZ LYS 77 HZ1 LYS 77 15.951 4.559 -1.893 566 2HZ LYS 77 HZ2 LYS 77 14.338 4.430 -1.400 567 3HZ LYS 77 HZ3 LYS 77 14.744 5.415 -2.714 568 H THR 78 HN THR 78 9.863 0.072 -7.412 569 HA THR 78 HA THR 78 7.714 1.732 -6.263 570 HB THR 78 HB THR 78 7.857 0.454 -9.001 571 HG1 THR 78 HG1 THR 78 9.040 2.467 -8.574 572 1HG2 THR 78 HG21 THR 78 5.628 1.898 -7.623 573 2HG2 THR 78 HG22 THR 78 5.585 0.381 -8.522 574 3HG2 THR 78 HG23 THR 78 5.789 1.909 -9.380 575 H VAL 79 HN VAL 79 5.766 0.731 -5.718 576 HA VAL 79 HA VAL 79 5.846 -2.212 -5.594 577 HB VAL 79 HB VAL 79 4.662 -2.122 -3.462 578 1HG1 VAL 79 HG11 VAL 79 7.336 -1.653 -3.889 579 2HG1 VAL 79 HG12 VAL 79 6.596 -2.088 -2.349 580 3HG1 VAL 79 HG13 VAL 79 6.890 -0.394 -2.738 581 1HG2 VAL 79 HG21 VAL 79 4.870 0.280 -2.341 582 2HG2 VAL 79 HG22 VAL 79 3.448 -0.203 -3.265 583 3HG2 VAL 79 HG23 VAL 79 4.693 0.792 -4.019 584 H TYR 80 HN TYR 80 3.974 -3.302 -6.065 585 HA TYR 80 HA TYR 80 1.646 -1.659 -6.806 586 1HB TYR 80 HB2 TYR 80 2.473 -4.159 -8.264 587 2HB TYR 80 HB1 TYR 80 1.264 -2.978 -8.747 588 HD1 TYR 80 HD1 TYR 80 2.102 -0.600 -9.259 589 HD2 TYR 80 HD2 TYR 80 4.637 -4.008 -9.047 590 HE1 TYR 80 HE1 TYR 80 3.797 0.582 -10.591 591 HE2 TYR 80 HE2 TYR 80 6.338 -2.834 -10.374 592 HH TYR 80 HH TYR 80 6.662 0.140 -10.725 593 H LEU 81 HN LEU 81 -0.201 -2.236 -5.835 594 HA LEU 81 HA LEU 81 -0.373 -4.953 -4.725 595 1HB LEU 81 HB2 LEU 81 -0.765 -4.135 -2.697 596 2HB LEU 81 HB1 LEU 81 -0.362 -2.549 -3.315 597 HG LEU 81 HG LEU 81 -3.177 -3.577 -3.499 598 1HD1 LEU 81 HD11 LEU 81 -3.578 -2.345 -1.349 599 2HD1 LEU 81 HD12 LEU 81 -1.830 -2.339 -1.114 600 3HD1 LEU 81 HD13 LEU 81 -2.703 -3.869 -1.196 601 1HD2 LEU 81 HD21 LEU 81 -2.000 -1.349 -4.491 602 2HD2 LEU 81 HD22 LEU 81 -2.563 -0.764 -2.926 603 3HD2 LEU 81 HD23 LEU 81 -3.707 -1.470 -4.067 604 H GLN 82 HN GLN 82 -1.847 -6.125 -5.713 605 HA GLN 82 HA GLN 82 -4.009 -4.829 -7.166 606 1HB GLN 82 HB2 GLN 82 -2.382 -6.786 -7.931 607 2HB GLN 82 HB1 GLN 82 -3.631 -7.764 -7.183 608 1HG GLN 82 HG2 GLN 82 -5.292 -6.935 -8.666 609 2HG GLN 82 HG1 GLN 82 -4.196 -5.706 -9.294 610 1HE2 GLN 82 HE21 GLN 82 -5.156 -9.014 -9.407 611 2HE2 GLN 82 HE22 GLN 82 -4.169 -9.480 -10.746 612 H MET 83 HN MET 83 -5.505 -4.274 -5.608 613 HA MET 83 HA MET 83 -6.362 -6.142 -3.604 614 1HB MET 83 HB2 MET 83 -7.754 -3.593 -4.411 615 2HB MET 83 HB1 MET 83 -7.849 -4.430 -2.868 616 1HG MET 83 HG2 MET 83 -5.531 -3.899 -2.427 617 2HG MET 83 HG1 MET 83 -5.420 -3.080 -3.981 618 1HE MET 83 HE1 MET 83 -7.449 -1.620 -4.630 619 2HE MET 83 HE2 MET 83 -7.534 -0.077 -3.779 620 3HE MET 83 HE3 MET 83 -8.730 -1.332 -3.452 621 H ASN 84 HN ASN 84 -7.184 -7.946 -4.642 622 HA ASN 84 HA ASN 84 -9.317 -7.622 -6.577 623 1HB ASN 84 HB2 ASN 84 -8.770 -10.358 -5.738 624 2HB ASN 84 HB1 ASN 84 -8.719 -9.637 -7.334 625 1HD2 ASN 84 HD21 ASN 84 -6.782 -8.628 -8.035 626 2HD2 ASN 84 HD22 ASN 84 -5.262 -9.078 -7.349 627 H SER 85 HN SER 85 -11.117 -9.383 -6.289 628 HA SER 85 HA SER 85 -13.153 -9.604 -5.234 629 1HB SER 85 HB2 SER 85 -11.420 -11.444 -4.453 630 2HB SER 85 HB1 SER 85 -11.659 -10.677 -2.883 631 HG SER 85 HG SER 85 -13.985 -10.961 -3.359 632 H LEU 86 HN LEU 86 -12.337 -6.988 -4.864 633 HA LEU 86 HA LEU 86 -12.164 -6.066 -2.253 634 1HB LEU 86 HB2 LEU 86 -12.424 -4.939 -4.808 635 2HB LEU 86 HB1 LEU 86 -13.756 -4.285 -3.874 636 HG LEU 86 HG LEU 86 -11.716 -3.932 -2.122 637 1HD1 LEU 86 HD11 LEU 86 -10.545 -4.178 -4.817 638 2HD1 LEU 86 HD12 LEU 86 -9.814 -4.419 -3.230 639 3HD1 LEU 86 HD13 LEU 86 -10.025 -2.787 -3.865 640 1HD2 LEU 86 HD21 LEU 86 -13.058 -2.253 -4.151 641 2HD2 LEU 86 HD22 LEU 86 -11.598 -1.592 -3.415 642 3HD2 LEU 86 HD23 LEU 86 -12.961 -2.062 -2.400 643 H LYS 87 HN LYS 87 -13.750 -5.027 -0.915 644 HA LYS 87 HA LYS 87 -16.460 -6.136 -1.233 645 1HB LYS 87 HB2 LYS 87 -14.567 -6.338 0.995 646 2HB LYS 87 HB1 LYS 87 -16.165 -5.793 1.482 647 1HG LYS 87 HG2 LYS 87 -16.758 -7.928 1.535 648 2HG LYS 87 HG1 LYS 87 -16.671 -7.910 -0.227 649 1HD LYS 87 HD2 LYS 87 -14.033 -8.223 0.800 650 2HD LYS 87 HD1 LYS 87 -15.085 -9.385 1.609 651 1HE LYS 87 HE2 LYS 87 -15.095 -9.024 -1.373 652 2HE LYS 87 HE1 LYS 87 -13.974 -10.121 -0.568 653 1HZ LYS 87 HZ1 LYS 87 -15.742 -11.482 -1.085 654 2HZ LYS 87 HZ2 LYS 87 -16.906 -10.296 -0.773 655 3HZ LYS 87 HZ3 LYS 87 -16.105 -11.051 0.511 656 HA PRO 88 HA PRO 88 -18.025 -2.086 -0.460 657 1HB PRO 88 HB2 PRO 88 -20.193 -2.453 1.077 658 2HB PRO 88 HB1 PRO 88 -20.117 -3.063 -0.581 659 1HG PRO 88 HG2 PRO 88 -19.694 -4.527 1.996 660 2HG PRO 88 HG1 PRO 88 -20.600 -5.033 0.559 661 1HD PRO 88 HD2 PRO 88 -18.052 -5.860 1.114 662 2HD PRO 88 HD1 PRO 88 -18.714 -5.749 -0.528 663 H GLU 89 HN GLU 89 -16.349 -3.557 1.896 664 HA GLU 89 HA GLU 89 -16.809 -1.393 3.836 665 1HB GLU 89 HB2 GLU 89 -16.106 -4.282 4.216 666 2HB GLU 89 HB1 GLU 89 -15.644 -3.098 5.431 667 1HG GLU 89 HG2 GLU 89 -18.464 -3.439 4.455 668 2HG GLU 89 HG1 GLU 89 -17.804 -4.305 5.841 669 H ASP 90 HN ASP 90 -14.817 -2.086 1.429 670 HA ASP 90 HA ASP 90 -12.300 -1.627 2.822 671 1HB ASP 90 HB2 ASP 90 -13.078 -2.485 0.078 672 2HB ASP 90 HB1 ASP 90 -11.532 -1.666 0.274 673 H THR 91 HN THR 91 -14.762 0.229 1.461 674 HA THR 91 HA THR 91 -13.483 2.268 0.121 675 HB THR 91 HB THR 91 -15.878 2.364 1.950 676 HG1 THR 91 HG1 THR 91 -15.813 0.963 -0.007 677 1HG2 THR 91 HG21 THR 91 -14.600 4.494 0.488 678 2HG2 THR 91 HG22 THR 91 -15.952 4.554 1.619 679 3HG2 THR 91 HG23 THR 91 -16.243 4.211 -0.086 680 H ALA 92 HN ALA 92 -11.709 3.288 0.816 681 HA ALA 92 HA ALA 92 -11.810 5.029 3.054 682 1HB ALA 92 HB1 ALA 92 -11.330 3.453 4.605 683 2HB ALA 92 HB2 ALA 92 -9.680 3.749 4.057 684 3HB ALA 92 HB3 ALA 92 -10.583 2.369 3.432 685 H VAL 93 HN VAL 93 -9.427 5.859 3.527 686 HA VAL 93 HA VAL 93 -8.378 6.615 0.940 687 HB VAL 93 HB VAL 93 -8.771 8.180 2.922 688 1HG1 VAL 93 HG11 VAL 93 -7.315 8.299 4.687 689 2HG1 VAL 93 HG12 VAL 93 -6.019 7.478 3.817 690 3HG1 VAL 93 HG13 VAL 93 -7.391 6.556 4.432 691 1HG2 VAL 93 HG21 VAL 93 -7.731 9.161 1.109 692 2HG2 VAL 93 HG22 VAL 93 -6.322 8.105 1.213 693 3HG2 VAL 93 HG23 VAL 93 -6.538 9.405 2.385 694 H TYR 94 HN TYR 94 -7.052 5.170 0.000 695 HA TYR 94 HA TYR 94 -5.307 3.513 1.584 696 1HB TYR 94 HB2 TYR 94 -6.187 3.652 -1.254 697 2HB TYR 94 HB1 TYR 94 -4.663 2.862 -0.906 698 HD1 TYR 94 HD1 TYR 94 -4.600 0.698 0.124 699 HD2 TYR 94 HD2 TYR 94 -8.288 2.780 -0.275 700 HE1 TYR 94 HE1 TYR 94 -5.816 -1.349 0.744 701 HE2 TYR 94 HE2 TYR 94 -9.515 0.741 0.343 702 HH TYR 94 HH TYR 94 -9.156 -1.702 0.318 703 H THR 95 HN THR 95 -3.604 4.608 2.398 704 HA THR 95 HA THR 95 -1.985 6.202 0.517 705 HB THR 95 HB THR 95 -1.927 6.397 3.529 706 HG1 THR 95 HG1 THR 95 -3.341 8.059 1.721 707 1HG2 THR 95 HG21 THR 95 -1.170 8.773 2.852 708 2HG2 THR 95 HG22 THR 95 -0.760 8.014 1.313 709 3HG2 THR 95 HG23 THR 95 -0.011 7.444 2.805 710 H CYS 96 HN CYS 96 0.123 5.675 0.204 711 HA CYS 96 HA CYS 96 1.056 3.239 1.540 712 1HB CYS 96 HB2 CYS 96 2.704 3.104 -0.303 713 2HB CYS 96 HB1 CYS 96 1.041 3.115 -0.878 714 H GLY 97 HN GLY 97 3.078 3.079 2.482 715 1HA GLY 97 HA2 GLY 97 4.618 5.557 2.806 716 2HA GLY 97 HA1 GLY 97 4.059 4.712 4.243 717 H ALA 98 HN ALA 98 6.504 4.808 4.546 718 HA ALA 98 HA ALA 98 7.608 2.267 3.583 719 1HB ALA 98 HB1 ALA 98 9.846 3.817 3.659 720 2HB ALA 98 HB2 ALA 98 8.647 4.944 3.023 721 3HB ALA 98 HB3 ALA 98 8.942 3.413 2.200 722 H GLY 99 HN GLY 99 9.583 1.634 4.837 723 1HA GLY 99 HA2 GLY 99 9.198 2.393 7.663 724 2HA GLY 99 HA1 GLY 99 9.732 0.809 7.125 725 H GLU 100 HN GLU 100 11.236 1.798 9.000 726 HA GLU 100 HA GLU 100 13.766 2.202 7.722 727 1HB GLU 100 HB2 GLU 100 12.296 4.495 8.794 728 2HB GLU 100 HB1 GLU 100 13.907 4.327 9.477 729 1HG GLU 100 HG2 GLU 100 14.949 4.649 7.446 730 2HG GLU 100 HG1 GLU 100 13.524 4.179 6.523 731 H GLY 101 HN GLY 101 14.969 0.798 8.816 732 1HA GLY 101 HA2 GLY 101 15.956 -0.323 10.538 733 2HA GLY 101 HA1 GLY 101 15.568 1.065 11.540 734 H GLY 102 HN GLY 102 12.893 -0.443 10.016 735 1HA GLY 102 HA2 GLY 102 11.667 -2.351 10.879 736 2HA GLY 102 HA1 GLY 102 12.317 -1.978 12.467 737 H THR 103 HN THR 103 11.731 0.982 11.584 738 HA THR 103 HA THR 103 9.037 0.983 12.703 739 HB THR 103 HB THR 103 10.796 3.352 12.148 740 HG1 THR 103 HG1 THR 103 12.016 1.994 13.420 741 1HG2 THR 103 HG21 THR 103 9.588 3.904 14.475 742 2HG2 THR 103 HG22 THR 103 8.345 2.915 13.709 743 3HG2 THR 103 HG23 THR 103 8.939 4.367 12.901 744 H TRP 104 HN TRP 104 7.769 3.044 11.813 745 HA TRP 104 HA TRP 104 7.992 3.253 8.914 746 1HB TRP 104 HB2 TRP 104 5.472 2.369 10.333 747 2HB TRP 104 HB1 TRP 104 5.564 2.816 8.633 748 HD1 TRP 104 HD1 TRP 104 6.763 0.080 11.058 749 HE1 TRP 104 HE1 TRP 104 7.284 -2.039 9.689 750 HE3 TRP 104 HE3 TRP 104 6.150 1.983 6.356 751 HZ2 TRP 104 HZ2 TRP 104 7.417 -2.800 6.971 752 HZ3 TRP 104 HZ3 TRP 104 6.495 0.498 4.425 753 HH2 TRP 104 HH2 TRP 104 7.116 -1.844 4.728 754 H ASP 105 HN ASP 105 8.355 5.395 8.832 755 HA ASP 105 HA ASP 105 6.289 7.138 9.970 756 1HB ASP 105 HB2 ASP 105 8.237 7.251 11.421 757 2HB ASP 105 HB1 ASP 105 9.248 7.645 10.042 758 H SER 106 HN SER 106 7.325 6.025 7.201 759 HA SER 106 HA SER 106 7.437 8.621 5.827 760 1HB SER 106 HB2 SER 106 8.833 6.135 5.441 761 2HB SER 106 HB1 SER 106 7.924 6.531 3.985 762 HG SER 106 HG SER 106 9.189 8.190 3.638 763 H TRP 107 HN TRP 107 5.907 9.192 4.352 764 HA TRP 107 HA TRP 107 3.876 7.224 3.595 765 1HB TRP 107 HB2 TRP 107 3.102 9.963 4.593 766 2HB TRP 107 HB1 TRP 107 2.045 8.605 4.236 767 HD1 TRP 107 HD1 TRP 107 4.533 9.825 6.882 768 HE1 TRP 107 HE1 TRP 107 4.092 8.543 9.071 769 HE3 TRP 107 HE3 TRP 107 1.072 6.480 5.171 770 HZ2 TRP 107 HZ2 TRP 107 2.484 6.395 9.952 771 HZ3 TRP 107 HZ3 TRP 107 0.130 4.845 6.749 772 HH2 TRP 107 HH2 TRP 107 0.822 4.805 9.091 773 H GLY 108 HN GLY 108 2.441 8.043 1.851 774 1HA GLY 108 HA2 GLY 108 3.997 9.771 0.036 775 2HA GLY 108 HA1 GLY 108 2.885 8.514 -0.485 776 H GLN 109 HN GLN 109 1.275 9.483 -1.537 777 HA GLN 109 HA GLN 109 0.225 12.016 -0.523 778 1HB GLN 109 HB2 GLN 109 0.841 11.928 -2.897 779 2HB GLN 109 HB1 GLN 109 -0.285 10.601 -3.141 780 1HG GLN 109 HG2 GLN 109 -1.787 12.130 -3.699 781 2HG GLN 109 HG1 GLN 109 -1.840 12.572 -1.993 782 1HE2 GLN 109 HE21 GLN 109 -1.828 13.939 -4.826 783 2HE2 GLN 109 HE22 GLN 109 -0.840 15.329 -4.549 784 H GLY 110 HN GLY 110 -1.156 9.064 -1.973 785 1HA GLY 110 HA2 GLY 110 -2.690 7.775 -0.479 786 2HA GLY 110 HA1 GLY 110 -3.406 9.327 -0.075 787 H THR 111 HN THR 111 -4.666 6.958 -1.202 788 HA THR 111 HA THR 111 -5.945 8.263 -3.472 789 HB THR 111 HB THR 111 -4.183 6.794 -4.431 790 HG1 THR 111 HG1 THR 111 -5.568 5.777 -5.885 791 1HG2 THR 111 HG21 THR 111 -3.846 4.682 -3.866 792 2HG2 THR 111 HG22 THR 111 -5.563 4.298 -3.984 793 3HG2 THR 111 HG23 THR 111 -4.910 4.971 -2.491 794 H GLN 112 HN GLN 112 -7.981 8.404 -2.776 795 HA GLN 112 HA GLN 112 -9.107 6.626 -0.883 796 1HB GLN 112 HB2 GLN 112 -10.059 8.724 -0.780 797 2HB GLN 112 HB1 GLN 112 -10.131 8.899 -2.518 798 1HG GLN 112 HG2 GLN 112 -12.331 8.629 -2.141 799 2HG GLN 112 HG1 GLN 112 -11.906 6.923 -2.228 800 1HE2 GLN 112 HE21 GLN 112 -10.603 6.704 0.236 801 2HE2 GLN 112 HE22 GLN 112 -11.774 6.870 1.484 802 H VAL 113 HN VAL 113 -10.535 4.986 -1.085 803 HA VAL 113 HA VAL 113 -11.017 3.976 -3.811 804 HB VAL 113 HB VAL 113 -10.404 2.508 -1.256 805 1HG1 VAL 113 HG11 VAL 113 -10.703 0.423 -2.717 806 2HG1 VAL 113 HG12 VAL 113 -11.641 1.463 -3.789 807 3HG1 VAL 113 HG13 VAL 113 -12.163 1.215 -2.123 808 1HG2 VAL 113 HG21 VAL 113 -8.767 1.398 -2.967 809 2HG2 VAL 113 HG22 VAL 113 -8.386 2.966 -2.257 810 3HG2 VAL 113 HG23 VAL 113 -9.050 2.874 -3.888 811 H THR 114 HN THR 114 -13.097 3.591 -4.352 812 HA THR 114 HA THR 114 -15.108 3.737 -2.215 813 HB THR 114 HB THR 114 -15.275 4.654 -5.086 814 HG1 THR 114 HG1 THR 114 -14.184 6.038 -3.581 815 1HG2 THR 114 HG21 THR 114 -17.444 5.654 -3.620 816 2HG2 THR 114 HG22 THR 114 -17.402 3.915 -3.328 817 3HG2 THR 114 HG23 THR 114 -17.478 4.530 -4.979 818 H VAL 115 HN VAL 115 -16.689 2.214 -2.124 819 HA VAL 115 HA VAL 115 -16.896 0.254 -4.279 820 HB VAL 115 HB VAL 115 -16.926 -0.744 -1.458 821 1HG1 VAL 115 HG11 VAL 115 -17.565 -2.474 -2.772 822 2HG1 VAL 115 HG12 VAL 115 -15.821 -2.689 -2.913 823 3HG1 VAL 115 HG13 VAL 115 -16.713 -1.860 -4.188 824 1HG2 VAL 115 HG21 VAL 115 -14.562 -1.230 -1.508 825 2HG2 VAL 115 HG22 VAL 115 -14.802 0.505 -1.713 826 3HG2 VAL 115 HG23 VAL 115 -14.412 -0.502 -3.107 827 H SER 116 HN SER 116 -18.823 -1.191 -3.886 828 HA SER 116 HA SER 116 -20.927 -0.049 -2.253 829 1HB SER 116 HB2 SER 116 -21.057 -0.111 -5.268 830 2HB SER 116 HB1 SER 116 -22.492 0.022 -4.251 831 HG SER 116 HG SER 116 -22.072 2.063 -4.101 832 H SER 117 HN SER 117 -20.350 -2.347 -4.895 833 HA SER 117 HA SER 117 -20.860 -4.550 -5.146 834 1HB SER 117 HB2 SER 117 -20.624 -5.953 -3.309 835 2HB SER 117 HB1 SER 117 -19.777 -4.510 -2.756 836 HG SER 117 HG SER 117 -21.609 -3.928 -1.588 Start of MODEL 4 1 1H GLN 1 HT1 GLN 1 11.900 12.599 4.470 2 2H GLN 1 HT2 GLN 1 13.149 13.515 5.208 3 3H GLN 1 HT3 GLN 1 13.482 11.950 4.589 4 HA GLN 1 HA GLN 1 12.894 14.426 3.133 5 1HB GLN 1 HB2 GLN 1 15.038 13.901 2.073 6 2HB GLN 1 HB1 GLN 1 15.209 13.991 3.820 7 1HG GLN 1 HG2 GLN 1 14.623 11.300 2.935 8 2HG GLN 1 HG1 GLN 1 16.072 11.948 2.168 9 1HE2 GLN 1 HE21 GLN 1 17.908 12.005 3.295 10 2HE2 GLN 1 HE22 GLN 1 18.058 11.628 4.975 11 H VAL 2 HN VAL 2 12.640 10.949 3.098 12 HA VAL 2 HA VAL 2 12.338 10.618 0.306 13 HB VAL 2 HB VAL 2 11.222 8.439 1.045 14 1HG1 VAL 2 HG11 VAL 2 14.008 8.912 2.065 15 2HG1 VAL 2 HG12 VAL 2 13.605 8.732 0.357 16 3HG1 VAL 2 HG13 VAL 2 13.321 7.398 1.475 17 1HG2 VAL 2 HG21 VAL 2 12.395 9.038 3.724 18 2HG2 VAL 2 HG22 VAL 2 11.239 7.786 3.268 19 3HG2 VAL 2 HG23 VAL 2 10.725 9.471 3.356 20 H GLN 3 HN GLN 3 10.424 10.162 -0.871 21 HA GLN 3 HA GLN 3 7.913 11.021 0.389 22 1HB GLN 3 HB2 GLN 3 7.361 12.163 -1.814 23 2HB GLN 3 HB1 GLN 3 8.554 12.961 -0.797 24 1HG GLN 3 HG2 GLN 3 10.254 11.603 -2.250 25 2HG GLN 3 HG1 GLN 3 8.912 11.549 -3.392 26 1HE2 GLN 3 HE21 GLN 3 11.021 13.683 -1.571 27 2HE2 GLN 3 HE22 GLN 3 10.861 15.046 -2.620 28 H LEU 4 HN LEU 4 5.985 10.418 -0.949 29 HA LEU 4 HA LEU 4 6.437 8.085 -2.661 30 1HB LEU 4 HB2 LEU 4 4.732 8.149 -0.180 31 2HB LEU 4 HB1 LEU 4 4.501 6.958 -1.446 32 HG LEU 4 HG LEU 4 7.040 6.458 -1.066 33 1HD1 LEU 4 HD11 LEU 4 7.924 7.846 0.461 34 2HD1 LEU 4 HD12 LEU 4 7.181 6.747 1.623 35 3HD1 LEU 4 HD13 LEU 4 6.356 8.237 1.167 36 1HD2 LEU 4 HD21 LEU 4 4.776 5.626 0.729 37 2HD2 LEU 4 HD22 LEU 4 6.378 4.894 0.812 38 3HD2 LEU 4 HD23 LEU 4 5.432 4.778 -0.671 39 H GLN 5 HN GLN 5 5.066 7.949 -4.350 40 HA GLN 5 HA GLN 5 2.680 9.669 -4.346 41 1HB GLN 5 HB2 GLN 5 4.451 9.315 -6.760 42 2HB GLN 5 HB1 GLN 5 3.126 10.451 -6.552 43 1HG GLN 5 HG2 GLN 5 4.945 11.814 -6.283 44 2HG GLN 5 HG1 GLN 5 4.586 11.381 -4.612 45 1HE2 GLN 5 HE21 GLN 5 6.556 10.397 -7.381 46 2HE2 GLN 5 HE22 GLN 5 7.912 9.866 -6.452 47 H GLU 6 HN GLU 6 0.868 8.703 -5.044 48 HA GLU 6 HA GLU 6 1.023 5.922 -5.851 49 1HB GLU 6 HB2 GLU 6 -1.599 7.319 -5.773 50 2HB GLU 6 HB1 GLU 6 -1.159 5.721 -5.192 51 1HG GLU 6 HG2 GLU 6 -1.385 6.647 -3.172 52 2HG GLU 6 HG1 GLU 6 0.233 7.279 -3.476 53 H SER 7 HN SER 7 -0.389 5.144 -7.641 54 HA SER 7 HA SER 7 -0.980 6.988 -9.774 55 1HB SER 7 HB2 SER 7 0.573 6.184 -11.391 56 2HB SER 7 HB1 SER 7 1.519 6.527 -9.942 57 HG SER 7 HG SER 7 0.759 4.045 -11.027 58 H GLY 8 HN GLY 8 -2.933 6.285 -10.333 59 1HA GLY 8 HA2 GLY 8 -4.359 4.802 -11.477 60 2HA GLY 8 HA1 GLY 8 -3.242 3.491 -11.124 61 H GLY 9 HN GLY 9 -5.790 5.517 -9.802 62 1HA GLY 9 HA2 GLY 9 -6.740 3.361 -8.211 63 2HA GLY 9 HA1 GLY 9 -6.044 4.647 -7.246 64 H GLY 10 HN GLY 10 -8.844 3.603 -7.552 65 1HA GLY 10 HA2 GLY 10 -10.228 6.007 -7.245 66 2HA GLY 10 HA1 GLY 10 -10.406 5.519 -8.922 67 H LEU 11 HN LEU 11 -12.662 5.326 -8.535 68 HA LEU 11 HA LEU 11 -13.741 3.592 -6.615 69 1HB LEU 11 HB2 LEU 11 -15.003 4.509 -9.187 70 2HB LEU 11 HB1 LEU 11 -15.838 3.902 -7.766 71 HG LEU 11 HG LEU 11 -14.283 6.010 -6.832 72 1HD1 LEU 11 HD11 LEU 11 -15.175 6.472 -9.606 73 2HD1 LEU 11 HD12 LEU 11 -13.850 7.202 -8.700 74 3HD1 LEU 11 HD13 LEU 11 -15.502 7.770 -8.457 75 1HD2 LEU 11 HD21 LEU 11 -17.103 6.566 -7.516 76 2HD2 LEU 11 HD22 LEU 11 -16.254 6.723 -5.978 77 3HD2 LEU 11 HD23 LEU 11 -16.802 5.139 -6.525 78 H VAL 12 HN VAL 12 -14.494 1.497 -6.773 79 HA VAL 12 HA VAL 12 -14.196 0.051 -9.280 80 HB VAL 12 HB VAL 12 -11.993 -0.174 -8.266 81 1HG1 VAL 12 HG11 VAL 12 -11.574 -0.828 -6.119 82 2HG1 VAL 12 HG12 VAL 12 -13.066 -1.759 -5.993 83 3HG1 VAL 12 HG13 VAL 12 -13.112 0.000 -5.880 84 1HG2 VAL 12 HG21 VAL 12 -12.446 -2.857 -7.772 85 2HG2 VAL 12 HG22 VAL 12 -12.102 -2.126 -9.339 86 3HG2 VAL 12 HG23 VAL 12 -13.772 -2.395 -8.839 87 H GLN 13 HN GLN 13 -15.853 -1.306 -9.538 88 HA GLN 13 HA GLN 13 -17.908 -1.578 -7.685 89 1HB GLN 13 HB2 GLN 13 -18.855 -3.132 -9.232 90 2HB GLN 13 HB1 GLN 13 -18.071 -1.871 -10.158 91 1HG GLN 13 HG2 GLN 13 -16.150 -3.882 -9.773 92 2HG GLN 13 HG1 GLN 13 -17.648 -4.698 -10.218 93 1HE2 GLN 13 HE21 GLN 13 -18.586 -4.264 -12.227 94 2HE2 GLN 13 HE22 GLN 13 -17.688 -3.544 -13.515 95 H ALA 14 HN ALA 14 -18.450 -3.128 -6.210 96 HA ALA 14 HA ALA 14 -16.509 -4.512 -4.842 97 1HB ALA 14 HB1 ALA 14 -19.466 -4.635 -4.935 98 2HB ALA 14 HB2 ALA 14 -18.385 -4.314 -3.579 99 3HB ALA 14 HB3 ALA 14 -18.621 -5.967 -4.146 100 H GLY 15 HN GLY 15 -15.602 -6.511 -4.942 101 1HA GLY 15 HA2 GLY 15 -15.414 -8.760 -5.604 102 2HA GLY 15 HA1 GLY 15 -16.693 -8.499 -6.780 103 H GLY 16 HN GLY 16 -15.036 -5.946 -7.507 104 1HA GLY 16 HA2 GLY 16 -13.656 -7.213 -9.693 105 2HA GLY 16 HA1 GLY 16 -13.765 -5.486 -9.386 106 H SER 17 HN SER 17 -11.540 -5.273 -9.917 107 HA SER 17 HA SER 17 -9.804 -5.881 -7.654 108 1HB SER 17 HB2 SER 17 -9.696 -7.441 -9.915 109 2HB SER 17 HB1 SER 17 -8.434 -6.249 -10.212 110 HG SER 17 HG SER 17 -7.620 -6.794 -8.094 111 H LEU 18 HN LEU 18 -8.298 -4.358 -7.227 112 HA LEU 18 HA LEU 18 -8.082 -2.103 -9.108 113 1HB LEU 18 HB2 LEU 18 -9.480 -1.540 -7.160 114 2HB LEU 18 HB1 LEU 18 -8.155 -1.971 -6.094 115 HG LEU 18 HG LEU 18 -6.853 -0.162 -7.466 116 1HD1 LEU 18 HD11 LEU 18 -9.058 0.023 -8.912 117 2HD1 LEU 18 HD12 LEU 18 -8.044 1.428 -8.583 118 3HD1 LEU 18 HD13 LEU 18 -9.508 1.155 -7.638 119 1HD2 LEU 18 HD21 LEU 18 -8.656 0.015 -5.147 120 2HD2 LEU 18 HD22 LEU 18 -8.186 1.556 -5.864 121 3HD2 LEU 18 HD23 LEU 18 -6.950 0.435 -5.295 122 H ARG 19 HN ARG 19 -6.057 -1.388 -9.550 123 HA ARG 19 HA ARG 19 -3.849 -2.642 -8.053 124 1HB ARG 19 HB2 ARG 19 -4.211 -3.364 -10.466 125 2HB ARG 19 HB1 ARG 19 -3.700 -1.745 -10.922 126 1HG ARG 19 HG2 ARG 19 -1.887 -3.118 -9.074 127 2HG ARG 19 HG1 ARG 19 -2.049 -3.879 -10.658 128 1HD ARG 19 HD2 ARG 19 -1.708 -1.472 -11.565 129 2HD ARG 19 HD1 ARG 19 -1.052 -1.145 -9.962 130 HE ARG 19 HE ARG 19 0.809 -2.377 -10.497 131 1HH1 ARG 19 HH11 ARG 19 -1.666 -2.941 -12.892 132 2HH1 ARG 19 HH12 ARG 19 -0.607 -3.792 -13.966 133 1HH2 ARG 19 HH21 ARG 19 2.202 -3.496 -11.909 134 2HH2 ARG 19 HH22 ARG 19 1.587 -4.110 -13.407 135 H LEU 20 HN LEU 20 -2.794 -1.236 -6.834 136 HA LEU 20 HA LEU 20 -2.542 1.544 -7.771 137 1HB LEU 20 HB2 LEU 20 -2.167 0.672 -4.925 138 2HB LEU 20 HB1 LEU 20 -2.514 2.276 -5.541 139 HG LEU 20 HG LEU 20 -4.442 -0.046 -5.499 140 1HD1 LEU 20 HD11 LEU 20 -3.819 2.095 -3.605 141 2HD1 LEU 20 HD12 LEU 20 -4.663 0.566 -3.359 142 3HD1 LEU 20 HD13 LEU 20 -5.531 1.957 -4.008 143 1HD2 LEU 20 HD21 LEU 20 -5.996 2.031 -5.997 144 2HD2 LEU 20 HD22 LEU 20 -5.209 1.127 -7.291 145 3HD2 LEU 20 HD23 LEU 20 -4.519 2.651 -6.733 146 H SER 21 HN SER 21 -0.568 2.375 -8.091 147 HA SER 21 HA SER 21 1.760 0.783 -7.226 148 1HB SER 21 HB2 SER 21 2.058 2.546 -9.587 149 2HB SER 21 HB1 SER 21 2.745 0.966 -9.266 150 HG SER 21 HG SER 21 0.073 1.521 -10.039 151 H CYS 22 HN CYS 22 2.805 1.816 -5.661 152 HA CYS 22 HA CYS 22 2.922 4.756 -5.753 153 1HB CYS 22 HB2 CYS 22 2.598 2.824 -3.552 154 2HB CYS 22 HB1 CYS 22 3.729 4.133 -3.226 155 H ALA 23 HN ALA 23 4.806 5.648 -6.221 156 HA ALA 23 HA ALA 23 7.221 3.987 -6.105 157 1HB ALA 23 HB1 ALA 23 8.129 6.012 -7.476 158 2HB ALA 23 HB2 ALA 23 6.419 6.361 -7.725 159 3HB ALA 23 HB3 ALA 23 7.089 4.816 -8.248 160 H ALA 24 HN ALA 24 9.271 5.142 -5.549 161 HA ALA 24 HA ALA 24 9.050 7.414 -3.774 162 1HB ALA 24 HB1 ALA 24 8.664 5.021 -2.581 163 2HB ALA 24 HB2 ALA 24 9.376 6.420 -1.778 164 3HB ALA 24 HB3 ALA 24 10.417 5.167 -2.453 165 H SER 25 HN SER 25 10.919 8.564 -3.674 166 HA SER 25 HA SER 25 13.307 7.348 -4.902 167 1HB SER 25 HB2 SER 25 12.586 10.274 -5.096 168 2HB SER 25 HB1 SER 25 13.821 9.401 -6.001 169 HG SER 25 HG SER 25 11.969 8.130 -6.835 170 H GLY 26 HN GLY 26 15.365 8.398 -4.267 171 1HA GLY 26 HA2 GLY 26 16.482 9.890 -2.675 172 2HA GLY 26 HA1 GLY 26 15.221 9.481 -1.522 173 H ARG 27 HN ARG 27 18.099 9.255 -1.213 174 HA ARG 27 HA ARG 27 18.881 6.530 -1.437 175 1HB ARG 27 HB2 ARG 27 20.524 8.343 -1.331 176 2HB ARG 27 HB1 ARG 27 19.993 8.745 0.296 177 1HG ARG 27 HG2 ARG 27 21.654 7.435 0.982 178 2HG ARG 27 HG1 ARG 27 20.613 6.087 0.520 179 1HD ARG 27 HD2 ARG 27 22.180 7.270 -1.670 180 2HD ARG 27 HD1 ARG 27 23.129 6.481 -0.412 181 HE ARG 27 HE ARG 27 22.234 4.438 -1.031 182 1HH1 ARG 27 HH11 ARG 27 20.649 7.018 -2.775 183 2HH1 ARG 27 HH12 ARG 27 19.905 5.952 -3.918 184 1HH2 ARG 27 HH21 ARG 27 21.253 3.041 -2.534 185 2HH2 ARG 27 HH22 ARG 27 20.248 3.697 -3.783 186 H THR 28 HN THR 28 18.367 4.858 -0.181 187 HA THR 28 HA THR 28 17.786 5.267 2.637 188 HB THR 28 HB THR 28 15.753 3.508 1.726 189 HG1 THR 28 HG1 THR 28 15.476 4.322 -0.211 190 1HG2 THR 28 HG21 THR 28 14.936 6.243 2.365 191 2HG2 THR 28 HG22 THR 28 15.953 5.468 3.580 192 3HG2 THR 28 HG23 THR 28 14.443 4.707 3.078 193 H GLY 29 HN GLY 29 19.700 4.074 2.954 194 1HA GLY 29 HA2 GLY 29 19.532 1.232 2.209 195 2HA GLY 29 HA1 GLY 29 21.033 2.090 2.516 196 H SER 30 HN SER 30 18.180 2.466 4.480 197 HA SER 30 HA SER 30 19.610 1.211 6.726 198 1HB SER 30 HB2 SER 30 18.931 3.695 6.791 199 2HB SER 30 HB1 SER 30 17.280 3.101 6.979 200 HG SER 30 HG SER 30 18.180 1.847 8.800 201 H THR 31 HN THR 31 18.071 -0.290 4.790 202 HA THR 31 HA THR 31 16.651 -2.076 4.822 203 HB THR 31 HB THR 31 15.934 -1.481 7.683 204 HG1 THR 31 HG1 THR 31 18.259 -2.839 6.796 205 1HG2 THR 31 HG21 THR 31 16.350 -4.132 7.542 206 2HG2 THR 31 HG22 THR 31 15.785 -3.811 5.902 207 3HG2 THR 31 HG23 THR 31 14.784 -3.363 7.284 208 H TYR 32 HN TYR 32 15.861 0.624 4.155 209 HA TYR 32 HA TYR 32 13.275 1.200 5.139 210 1HB TYR 32 HB2 TYR 32 14.058 3.095 4.199 211 2HB TYR 32 HB1 TYR 32 15.134 2.226 3.124 212 HD1 TYR 32 HD1 TYR 32 12.186 4.191 3.337 213 HD2 TYR 32 HD2 TYR 32 14.059 1.150 1.024 214 HE1 TYR 32 HE1 TYR 32 10.749 4.764 1.426 215 HE2 TYR 32 HE2 TYR 32 12.623 1.712 -0.890 216 HH TYR 32 HH TYR 32 9.879 3.625 -0.631 217 H ASP 33 HN ASP 33 11.338 0.443 4.573 218 HA ASP 33 HA ASP 33 11.171 -1.348 2.238 219 1HB ASP 33 HB2 ASP 33 9.497 -1.422 4.758 220 2HB ASP 33 HB1 ASP 33 9.419 -2.564 3.421 221 H MET 34 HN MET 34 8.532 -1.627 1.882 222 HA MET 34 HA MET 34 7.303 1.016 1.820 223 1HB MET 34 HB2 MET 34 8.410 -0.365 -0.514 224 2HB MET 34 HB1 MET 34 6.734 0.123 -0.718 225 1HG MET 34 HG2 MET 34 7.391 2.426 -0.049 226 2HG MET 34 HG1 MET 34 9.070 1.892 -0.044 227 1HE MET 34 HE1 MET 34 9.347 0.550 -3.702 228 2HE MET 34 HE2 MET 34 9.606 0.149 -2.004 229 3HE MET 34 HE3 MET 34 10.469 1.504 -2.731 230 H GLY 35 HN GLY 35 5.228 0.860 2.392 231 1HA GLY 35 HA2 GLY 35 3.677 -1.473 1.560 232 2HA GLY 35 HA1 GLY 35 3.843 -1.210 3.289 233 H TRP 36 HN TRP 36 1.416 -1.225 1.707 234 HA TRP 36 HA TRP 36 0.564 1.532 1.581 235 1HB TRP 36 HB2 TRP 36 -0.827 -1.053 0.979 236 2HB TRP 36 HB1 TRP 36 -1.589 0.514 0.823 237 HD1 TRP 36 HD1 TRP 36 1.293 -1.539 -0.712 238 HE1 TRP 36 HE1 TRP 36 1.702 -0.685 -3.106 239 HE3 TRP 36 HE3 TRP 36 -1.945 2.417 -0.727 240 HZ2 TRP 36 HZ2 TRP 36 0.773 1.392 -4.779 241 HZ3 TRP 36 HZ3 TRP 36 -2.125 3.787 -2.763 242 HH2 TRP 36 HH2 TRP 36 -0.793 3.284 -4.746 243 H PHE 37 HN PHE 37 -1.274 2.335 2.695 244 HA PHE 37 HA PHE 37 -1.986 0.906 5.150 245 1HB PHE 37 HB2 PHE 37 -0.833 3.637 4.817 246 2HB PHE 37 HB1 PHE 37 -2.038 3.394 6.065 247 HD1 PHE 37 HD1 PHE 37 -1.271 2.896 8.168 248 HD2 PHE 37 HD2 PHE 37 1.058 1.745 4.798 249 HE1 PHE 37 HE1 PHE 37 0.480 2.048 9.674 250 HE2 PHE 37 HE2 PHE 37 2.812 0.891 6.297 251 HZ PHE 37 HZ PHE 37 2.525 1.043 8.739 252 H ARG 38 HN ARG 38 -3.840 2.395 6.237 253 HA ARG 38 HA ARG 38 -5.609 3.546 4.264 254 1HB ARG 38 HB2 ARG 38 -7.501 2.031 4.969 255 2HB ARG 38 HB1 ARG 38 -6.260 1.287 3.972 256 1HG ARG 38 HG2 ARG 38 -5.229 0.520 6.198 257 2HG ARG 38 HG1 ARG 38 -6.808 0.905 6.885 258 1HD ARG 38 HD2 ARG 38 -6.903 -0.684 4.423 259 2HD ARG 38 HD1 ARG 38 -6.122 -1.491 5.782 260 HE ARG 38 HE ARG 38 -8.379 -0.556 6.896 261 1HH1 ARG 38 HH11 ARG 38 -7.803 -2.371 3.970 262 2HH1 ARG 38 HH12 ARG 38 -9.336 -3.174 4.019 263 1HH2 ARG 38 HH21 ARG 38 -10.394 -1.612 6.961 264 2HH2 ARG 38 HH22 ARG 38 -10.807 -2.744 5.716 265 H GLN 39 HN GLN 39 -7.491 4.602 5.243 266 HA GLN 39 HA GLN 39 -7.395 4.899 8.145 267 1HB GLN 39 HB2 GLN 39 -6.198 6.777 6.417 268 2HB GLN 39 HB1 GLN 39 -7.688 7.516 6.984 269 1HG GLN 39 HG2 GLN 39 -5.654 6.288 8.822 270 2HG GLN 39 HG1 GLN 39 -5.638 7.986 8.349 271 1HE2 GLN 39 HE21 GLN 39 -5.781 7.526 10.943 272 2HE2 GLN 39 HE22 GLN 39 -7.369 7.814 11.561 273 H ALA 40 HN ALA 40 -9.308 5.564 9.078 274 HA ALA 40 HA ALA 40 -11.580 6.063 7.282 275 1HB ALA 40 HB1 ALA 40 -11.235 3.848 9.203 276 2HB ALA 40 HB2 ALA 40 -12.183 3.927 7.719 277 3HB ALA 40 HB3 ALA 40 -12.809 4.643 9.204 278 HA PRO 41 HA PRO 41 -12.501 9.334 10.083 279 1HB PRO 41 HB2 PRO 41 -15.203 9.522 9.843 280 2HB PRO 41 HB1 PRO 41 -14.087 10.059 8.581 281 1HG PRO 41 HG2 PRO 41 -15.634 7.504 8.780 282 2HG PRO 41 HG1 PRO 41 -15.361 8.541 7.367 283 1HD PRO 41 HD2 PRO 41 -13.958 6.262 7.803 284 2HD PRO 41 HD1 PRO 41 -13.263 7.671 6.977 285 H GLY 42 HN GLY 42 -12.871 9.632 12.180 286 1HA GLY 42 HA2 GLY 42 -13.672 9.253 14.318 287 2HA GLY 42 HA1 GLY 42 -14.756 8.034 13.658 288 H LYS 43 HN LYS 43 -11.946 7.135 12.373 289 HA LYS 43 HA LYS 43 -11.228 5.449 14.675 290 1HB LYS 43 HB2 LYS 43 -12.307 4.597 12.389 291 2HB LYS 43 HB1 LYS 43 -10.627 4.630 11.889 292 1HG LYS 43 HG2 LYS 43 -10.505 2.566 12.729 293 2HG LYS 43 HG1 LYS 43 -10.505 3.344 14.313 294 1HD LYS 43 HD2 LYS 43 -13.066 3.253 14.133 295 2HD LYS 43 HD1 LYS 43 -12.796 2.094 12.830 296 1HE LYS 43 HE2 LYS 43 -13.120 0.864 14.852 297 2HE LYS 43 HE1 LYS 43 -11.416 0.748 14.414 298 1HZ LYS 43 HZ1 LYS 43 -10.885 2.412 16.043 299 2HZ LYS 43 HZ2 LYS 43 -11.771 1.181 16.792 300 3HZ LYS 43 HZ3 LYS 43 -12.520 2.649 16.411 301 H GLU 44 HN GLU 44 -8.925 4.330 13.661 302 HA GLU 44 HA GLU 44 -7.137 6.650 13.465 303 1HB GLU 44 HB2 GLU 44 -5.420 5.266 14.512 304 2HB GLU 44 HB1 GLU 44 -6.856 5.337 15.521 305 1HG GLU 44 HG2 GLU 44 -7.177 3.138 15.415 306 2HG GLU 44 HG1 GLU 44 -6.883 3.090 13.677 307 H ARG 45 HN ARG 45 -4.824 5.511 12.661 308 HA ARG 45 HA ARG 45 -5.489 4.667 9.939 309 1HB ARG 45 HB2 ARG 45 -3.368 5.467 9.264 310 2HB ARG 45 HB1 ARG 45 -3.990 6.666 10.390 311 1HG ARG 45 HG2 ARG 45 -2.590 5.742 12.161 312 2HG ARG 45 HG1 ARG 45 -1.980 4.520 11.043 313 1HD ARG 45 HD2 ARG 45 -1.128 6.355 9.598 314 2HD ARG 45 HD1 ARG 45 -1.624 7.507 10.838 315 HE ARG 45 HE ARG 45 0.680 5.783 10.888 316 1HH1 ARG 45 HH11 ARG 45 -1.567 7.623 12.823 317 2HH1 ARG 45 HH12 ARG 45 -0.475 7.793 14.155 318 1HH2 ARG 45 HH21 ARG 45 2.118 6.004 12.641 319 2HH2 ARG 45 HH22 ARG 45 1.618 6.875 14.052 320 H GLU 46 HN GLU 46 -4.967 2.721 9.132 321 HA GLU 46 HA GLU 46 -3.226 0.968 10.723 322 1HB GLU 46 HB2 GLU 46 -4.741 -0.919 10.259 323 2HB GLU 46 HB1 GLU 46 -5.528 0.338 11.204 324 1HG GLU 46 HG2 GLU 46 -6.235 1.136 8.755 325 2HG GLU 46 HG1 GLU 46 -6.069 -0.594 8.459 326 H SER 47 HN SER 47 -2.128 -0.665 9.504 327 HA SER 47 HA SER 47 -1.553 0.178 6.817 328 1HB SER 47 HB2 SER 47 0.371 -0.418 7.992 329 2HB SER 47 HB1 SER 47 -0.371 -1.843 8.692 330 HG SER 47 HG SER 47 0.715 -1.463 6.143 331 H VAL 48 HN VAL 48 -1.138 -1.687 5.243 332 HA VAL 48 HA VAL 48 -3.395 -3.572 5.279 333 HB VAL 48 HB VAL 48 -2.484 -2.268 2.746 334 1HG1 VAL 48 HG11 VAL 48 -4.833 -2.916 2.073 335 2HG1 VAL 48 HG12 VAL 48 -4.905 -3.839 3.575 336 3HG1 VAL 48 HG13 VAL 48 -3.706 -4.245 2.346 337 1HG2 VAL 48 HG21 VAL 48 -4.849 -1.053 3.224 338 2HG2 VAL 48 HG22 VAL 48 -3.280 -0.336 3.590 339 3HG2 VAL 48 HG23 VAL 48 -4.195 -1.151 4.859 340 H ALA 49 HN ALA 49 -0.547 -2.802 3.275 341 HA ALA 49 HA ALA 49 0.538 -5.445 3.763 342 1HB ALA 49 HB1 ALA 49 0.158 -4.677 0.895 343 2HB ALA 49 HB2 ALA 49 -1.112 -5.527 1.777 344 3HB ALA 49 HB3 ALA 49 0.479 -6.265 1.591 345 H ALA 50 HN ALA 50 2.685 -5.375 3.867 346 HA ALA 50 HA ALA 50 4.069 -3.140 2.541 347 1HB ALA 50 HB1 ALA 50 5.301 -4.060 5.027 348 2HB ALA 50 HB2 ALA 50 3.721 -3.302 5.236 349 3HB ALA 50 HB3 ALA 50 5.024 -2.423 4.432 350 H ILE 51 HN ILE 51 6.102 -3.549 1.723 351 HA ILE 51 HA ILE 51 7.006 -6.347 1.832 352 HB ILE 51 HB ILE 51 5.948 -5.900 -0.331 353 1HG1 ILE 51 HG12 ILE 51 8.956 -6.187 -0.474 354 2HG1 ILE 51 HG11 ILE 51 7.802 -7.492 -0.217 355 1HG2 ILE 51 HG21 ILE 51 7.409 -3.440 -0.132 356 2HG2 ILE 51 HG22 ILE 51 6.128 -3.892 -1.256 357 3HG2 ILE 51 HG23 ILE 51 7.808 -4.264 -1.640 358 1HD1 ILE 51 HD11 ILE 51 7.208 -7.577 -2.397 359 2HD1 ILE 51 HD12 ILE 51 8.843 -6.946 -2.590 360 3HD1 ILE 51 HD13 ILE 51 7.462 -5.851 -2.652 361 H ASN 52 HN ASN 52 9.174 -6.709 1.944 362 HA ASN 52 HA ASN 52 10.800 -4.431 2.715 363 1HB ASN 52 HB2 ASN 52 10.651 -6.921 3.713 364 2HB ASN 52 HB1 ASN 52 12.012 -7.118 2.620 365 1HD2 ASN 52 HD21 ASN 52 10.899 -5.822 5.577 366 2HD2 ASN 52 HD22 ASN 52 12.394 -5.131 6.100 367 H TRP 53 HN TRP 53 13.332 -5.370 1.997 368 HA TRP 53 HA TRP 53 13.252 -4.991 -0.918 369 1HB TRP 53 HB2 TRP 53 14.436 -3.341 0.764 370 2HB TRP 53 HB1 TRP 53 15.726 -4.538 0.700 371 HD1 TRP 53 HD1 TRP 53 17.450 -4.141 -1.135 372 HE1 TRP 53 HE1 TRP 53 17.525 -2.836 -3.354 373 HE3 TRP 53 HE3 TRP 53 12.598 -2.544 -1.297 374 HZ2 TRP 53 HZ2 TRP 53 15.756 -1.329 -4.960 375 HZ3 TRP 53 HZ3 TRP 53 11.869 -1.176 -3.208 376 HH2 TRP 53 HH2 TRP 53 13.417 -0.582 -5.000 377 H ASP 54 HN ASP 54 14.575 -6.914 1.688 378 HA ASP 54 HA ASP 54 14.873 -9.226 0.146 379 1HB ASP 54 HB2 ASP 54 17.374 -9.371 0.103 380 2HB ASP 54 HB1 ASP 54 16.712 -8.146 -0.974 381 H SER 55 HN SER 55 13.856 -8.492 2.665 382 HA SER 55 HA SER 55 15.716 -9.590 4.626 383 1HB SER 55 HB2 SER 55 14.199 -7.524 4.998 384 2HB SER 55 HB1 SER 55 12.904 -8.700 5.222 385 HG SER 55 HG SER 55 13.659 -9.102 7.133 386 H ALA 56 HN ALA 56 12.269 -10.125 3.849 387 HA ALA 56 HA ALA 56 12.713 -13.002 3.972 388 1HB ALA 56 HB1 ALA 56 11.065 -11.457 5.914 389 2HB ALA 56 HB2 ALA 56 12.124 -12.842 6.183 390 3HB ALA 56 HB3 ALA 56 10.542 -13.073 5.438 391 H ARG 57 HN ARG 57 9.976 -10.704 3.895 392 HA ARG 57 HA ARG 57 9.309 -11.219 1.207 393 1HB ARG 57 HB2 ARG 57 8.703 -13.393 2.614 394 2HB ARG 57 HB1 ARG 57 7.252 -12.467 2.970 395 1HG ARG 57 HG2 ARG 57 6.387 -13.067 1.027 396 2HG ARG 57 HG1 ARG 57 7.726 -12.288 0.181 397 1HD ARG 57 HD2 ARG 57 9.050 -14.395 0.581 398 2HD ARG 57 HD1 ARG 57 7.551 -15.138 1.138 399 HE ARG 57 HE ARG 57 6.857 -15.293 -1.039 400 1HH1 ARG 57 HH11 ARG 57 9.571 -13.107 -0.870 401 2HH1 ARG 57 HH12 ARG 57 9.740 -12.985 -2.589 402 1HH2 ARG 57 HH21 ARG 57 7.077 -15.134 -3.300 403 2HH2 ARG 57 HH22 ARG 57 8.325 -14.136 -3.969 404 H THR 58 HN THR 58 6.320 -11.108 1.971 405 HA THR 58 HA THR 58 6.284 -8.215 2.373 406 HB THR 58 HB THR 58 3.708 -9.441 1.812 407 HG1 THR 58 HG1 THR 58 4.592 -10.950 0.583 408 1HG2 THR 58 HG21 THR 58 3.475 -7.425 0.942 409 2HG2 THR 58 HG22 THR 58 4.535 -7.927 -0.375 410 3HG2 THR 58 HG23 THR 58 5.209 -7.123 1.042 411 H TYR 59 HN TYR 59 4.026 -7.562 3.434 412 HA TYR 59 HA TYR 59 3.551 -9.150 5.843 413 1HB TYR 59 HB2 TYR 59 5.164 -7.563 6.594 414 2HB TYR 59 HB1 TYR 59 4.374 -6.248 5.738 415 HD1 TYR 59 HD1 TYR 59 2.757 -4.930 6.799 416 HD2 TYR 59 HD2 TYR 59 3.925 -8.618 8.570 417 HE1 TYR 59 HE1 TYR 59 1.481 -4.355 8.820 418 HE2 TYR 59 HE2 TYR 59 2.651 -8.054 10.597 419 HH TYR 59 HH TYR 59 1.497 -4.958 11.241 420 H TYR 60 HN TYR 60 1.506 -9.692 5.043 421 HA TYR 60 HA TYR 60 -0.329 -7.694 4.131 422 1HB TYR 60 HB2 TYR 60 -0.650 -10.614 4.830 423 2HB TYR 60 HB1 TYR 60 -1.961 -9.614 4.224 424 HD1 TYR 60 HD1 TYR 60 -1.130 -8.176 2.028 425 HD2 TYR 60 HD2 TYR 60 0.309 -11.986 3.257 426 HE1 TYR 60 HE1 TYR 60 -0.423 -8.647 -0.280 427 HE2 TYR 60 HE2 TYR 60 1.021 -12.468 0.953 428 HH TYR 60 HH TYR 60 1.634 -11.198 -1.088 429 H ALA 61 HN ALA 61 -2.399 -7.247 5.151 430 HA ALA 61 HA ALA 61 -2.214 -7.321 8.092 431 1HB ALA 61 HB1 ALA 61 -3.501 -5.243 8.118 432 2HB ALA 61 HB2 ALA 61 -3.543 -5.245 6.355 433 3HB ALA 61 HB3 ALA 61 -2.006 -5.063 7.200 434 H SER 62 HN SER 62 -4.466 -7.013 9.125 435 HA SER 62 HA SER 62 -6.059 -9.225 8.347 436 1HB SER 62 HB2 SER 62 -7.097 -7.118 10.206 437 2HB SER 62 HB1 SER 62 -7.256 -8.871 10.305 438 HG SER 62 HG SER 62 -5.553 -7.420 11.600 439 H SER 63 HN SER 63 -8.210 -9.248 7.627 440 HA SER 63 HA SER 63 -10.112 -8.487 6.582 441 1HB SER 63 HB2 SER 63 -9.466 -6.197 7.757 442 2HB SER 63 HB1 SER 63 -9.017 -5.746 6.112 443 HG SER 63 HG SER 63 -11.059 -5.406 5.817 444 H VAL 64 HN VAL 64 -6.932 -8.380 5.501 445 HA VAL 64 HA VAL 64 -7.797 -8.828 2.765 446 HB VAL 64 HB VAL 64 -6.016 -7.307 1.873 447 1HG1 VAL 64 HG11 VAL 64 -8.253 -6.570 1.670 448 2HG1 VAL 64 HG12 VAL 64 -7.340 -5.199 2.299 449 3HG1 VAL 64 HG13 VAL 64 -8.350 -6.156 3.382 450 1HG2 VAL 64 HG21 VAL 64 -4.995 -7.193 4.301 451 2HG2 VAL 64 HG22 VAL 64 -6.071 -5.802 4.439 452 3HG2 VAL 64 HG23 VAL 64 -4.839 -5.842 3.178 453 H ARG 65 HN ARG 65 -6.247 -10.064 5.229 454 HA ARG 65 HA ARG 65 -3.688 -10.673 4.207 455 1HB ARG 65 HB2 ARG 65 -4.758 -10.756 6.657 456 2HB ARG 65 HB1 ARG 65 -4.979 -12.438 6.208 457 1HG ARG 65 HG2 ARG 65 -2.611 -12.684 5.821 458 2HG ARG 65 HG1 ARG 65 -2.361 -10.968 6.137 459 1HD ARG 65 HD2 ARG 65 -1.988 -11.530 8.260 460 2HD ARG 65 HD1 ARG 65 -3.712 -11.871 8.379 461 HE ARG 65 HE ARG 65 -1.554 -13.798 8.181 462 1HH1 ARG 65 HH11 ARG 65 -4.997 -13.234 8.014 463 2HH1 ARG 65 HH12 ARG 65 -5.406 -14.891 8.300 464 1HH2 ARG 65 HH21 ARG 65 -2.095 -15.976 8.559 465 2HH2 ARG 65 HH22 ARG 65 -3.761 -16.446 8.613 466 H GLY 66 HN GLY 66 -4.295 -11.333 2.116 467 1HA GLY 66 HA2 GLY 66 -3.941 -13.536 1.012 468 2HA GLY 66 HA1 GLY 66 -5.284 -14.104 1.992 469 H ARG 67 HN ARG 67 -5.938 -10.979 1.159 470 HA ARG 67 HA ARG 67 -7.599 -11.864 -1.107 471 1HB ARG 67 HB2 ARG 67 -8.023 -9.369 0.529 472 2HB ARG 67 HB1 ARG 67 -9.163 -10.168 -0.544 473 1HG ARG 67 HG2 ARG 67 -9.022 -12.146 1.064 474 2HG ARG 67 HG1 ARG 67 -8.246 -11.020 2.179 475 1HD ARG 67 HD2 ARG 67 -11.032 -10.939 1.063 476 2HD ARG 67 HD1 ARG 67 -10.523 -10.976 2.748 477 HE ARG 67 HE ARG 67 -10.054 -8.694 2.647 478 1HH1 ARG 67 HH11 ARG 67 -11.119 -9.891 -0.461 479 2HH1 ARG 67 HH12 ARG 67 -11.416 -8.312 -1.102 480 1HH2 ARG 67 HH21 ARG 67 -10.446 -6.623 1.798 481 2HH2 ARG 67 HH22 ARG 67 -11.035 -6.458 0.178 482 H PHE 68 HN PHE 68 -5.480 -9.263 0.014 483 HA PHE 68 HA PHE 68 -5.502 -8.054 -2.640 484 1HB PHE 68 HB2 PHE 68 -4.321 -7.177 -0.005 485 2HB PHE 68 HB1 PHE 68 -4.049 -6.311 -1.511 486 HD1 PHE 68 HD1 PHE 68 -5.031 -4.509 0.138 487 HD2 PHE 68 HD2 PHE 68 -7.283 -7.672 -1.609 488 HE1 PHE 68 HE1 PHE 68 -7.101 -3.233 0.500 489 HE2 PHE 68 HE2 PHE 68 -9.356 -6.399 -1.250 490 HZ PHE 68 HZ PHE 68 -9.268 -4.176 -0.195 491 H THR 69 HN THR 69 -3.665 -7.795 -3.911 492 HA THR 69 HA THR 69 -1.490 -9.677 -3.300 493 HB THR 69 HB THR 69 -2.062 -8.441 -5.989 494 HG1 THR 69 HG1 THR 69 -3.912 -9.587 -5.206 495 1HG2 THR 69 HG21 THR 69 0.062 -9.504 -5.935 496 2HG2 THR 69 HG22 THR 69 -1.050 -10.562 -6.804 497 3HG2 THR 69 HG23 THR 69 -0.608 -10.927 -5.136 498 H ILE 70 HN ILE 70 0.688 -9.070 -3.891 499 HA ILE 70 HA ILE 70 1.210 -6.205 -4.118 500 HB ILE 70 HB ILE 70 1.165 -6.591 -1.727 501 1HG1 ILE 70 HG12 ILE 70 3.727 -6.151 -1.287 502 2HG1 ILE 70 HG11 ILE 70 3.799 -6.048 -3.042 503 1HG2 ILE 70 HG21 ILE 70 1.738 -9.067 -2.023 504 2HG2 ILE 70 HG22 ILE 70 2.374 -8.235 -0.603 505 3HG2 ILE 70 HG23 ILE 70 3.422 -8.543 -1.988 506 1HD1 ILE 70 HD11 ILE 70 2.072 -4.378 -1.234 507 2HD1 ILE 70 HD12 ILE 70 2.103 -4.285 -2.995 508 3HD1 ILE 70 HD13 ILE 70 3.538 -3.855 -2.063 509 H SER 71 HN SER 71 3.072 -5.722 -5.198 510 HA SER 71 HA SER 71 5.116 -7.722 -5.628 511 1HB SER 71 HB2 SER 71 3.143 -6.970 -7.725 512 2HB SER 71 HB1 SER 71 4.827 -7.128 -8.224 513 HG SER 71 HG SER 71 4.817 -9.239 -7.422 514 H ARG 72 HN ARG 72 7.082 -6.815 -6.009 515 HA ARG 72 HA ARG 72 7.201 -3.910 -5.933 516 1HB ARG 72 HB2 ARG 72 9.369 -4.113 -5.134 517 2HB ARG 72 HB1 ARG 72 8.593 -5.544 -4.478 518 1HG ARG 72 HG2 ARG 72 10.347 -5.452 -6.926 519 2HG ARG 72 HG1 ARG 72 10.816 -6.043 -5.332 520 1HD ARG 72 HD2 ARG 72 8.676 -7.206 -7.112 521 2HD ARG 72 HD1 ARG 72 10.273 -7.891 -6.816 522 HE ARG 72 HE ARG 72 8.607 -7.485 -4.476 523 1HH1 ARG 72 HH11 ARG 72 9.716 -9.711 -6.929 524 2HH1 ARG 72 HH12 ARG 72 9.325 -11.118 -6.001 525 1HH2 ARG 72 HH21 ARG 72 8.092 -9.334 -3.260 526 2HH2 ARG 72 HH22 ARG 72 8.401 -10.906 -3.919 527 H ASP 73 HN ASP 73 8.464 -2.654 -7.381 528 HA ASP 73 HA ASP 73 8.350 -3.634 -10.102 529 1HB ASP 73 HB2 ASP 73 7.662 -1.290 -9.368 530 2HB ASP 73 HB1 ASP 73 9.375 -0.946 -9.202 531 H ASN 74 HN ASN 74 10.782 -2.749 -7.726 532 HA ASN 74 HA ASN 74 13.033 -3.048 -7.643 533 1HB ASN 74 HB2 ASN 74 11.983 -5.317 -9.148 534 2HB ASN 74 HB1 ASN 74 13.656 -4.956 -9.559 535 1HD2 ASN 74 HD21 ASN 74 12.029 -4.502 -6.466 536 2HD2 ASN 74 HD22 ASN 74 13.013 -5.613 -5.581 537 H ALA 75 HN ALA 75 11.908 -1.090 -9.502 538 HA ALA 75 HA ALA 75 14.179 -0.906 -11.358 539 1HB ALA 75 HB1 ALA 75 12.350 0.540 -12.674 540 2HB ALA 75 HB2 ALA 75 11.286 -0.621 -11.880 541 3HB ALA 75 HB3 ALA 75 12.581 -1.189 -12.934 542 H LYS 76 HN LYS 76 11.697 0.922 -9.595 543 HA LYS 76 HA LYS 76 13.681 3.008 -9.086 544 1HB LYS 76 HB2 LYS 76 12.162 4.796 -9.688 545 2HB LYS 76 HB1 LYS 76 12.394 3.732 -11.068 546 1HG LYS 76 HG2 LYS 76 10.209 3.451 -11.236 547 2HG LYS 76 HG1 LYS 76 10.153 2.791 -9.601 548 1HD LYS 76 HD2 LYS 76 8.822 4.566 -9.200 549 2HD LYS 76 HD1 LYS 76 10.351 5.436 -9.066 550 1HE LYS 76 HE2 LYS 76 10.113 6.447 -11.106 551 2HE LYS 76 HE1 LYS 76 9.132 5.136 -11.761 552 1HZ LYS 76 HZ1 LYS 76 8.029 6.769 -9.589 553 2HZ LYS 76 HZ2 LYS 76 7.230 5.980 -10.854 554 3HZ LYS 76 HZ3 LYS 76 8.066 7.420 -11.150 555 H LYS 77 HN LYS 77 12.504 0.913 -7.457 556 HA LYS 77 HA LYS 77 11.715 0.620 -5.347 557 1HB LYS 77 HB2 LYS 77 12.052 3.622 -5.232 558 2HB LYS 77 HB1 LYS 77 11.680 2.614 -3.841 559 1HG LYS 77 HG2 LYS 77 13.832 1.330 -4.526 560 2HG LYS 77 HG1 LYS 77 14.207 2.808 -5.415 561 1HD LYS 77 HD2 LYS 77 13.412 2.873 -2.520 562 2HD LYS 77 HD1 LYS 77 15.084 2.592 -3.012 563 1HE LYS 77 HE2 LYS 77 15.351 4.719 -3.810 564 2HE LYS 77 HE1 LYS 77 13.643 4.900 -4.207 565 1HZ LYS 77 HZ1 LYS 77 13.576 4.698 -1.530 566 2HZ LYS 77 HZ2 LYS 77 13.607 6.162 -2.376 567 3HZ LYS 77 HZ3 LYS 77 15.042 5.514 -1.756 568 H THR 78 HN THR 78 9.782 0.331 -7.058 569 HA THR 78 HA THR 78 7.532 1.945 -6.048 570 HB THR 78 HB THR 78 7.877 0.586 -8.726 571 HG1 THR 78 HG1 THR 78 8.157 2.553 -9.489 572 1HG2 THR 78 HG21 THR 78 5.459 1.802 -7.475 573 2HG2 THR 78 HG22 THR 78 5.607 0.335 -8.444 574 3HG2 THR 78 HG23 THR 78 5.714 1.918 -9.216 575 H VAL 79 HN VAL 79 5.573 0.893 -5.587 576 HA VAL 79 HA VAL 79 5.731 -2.036 -5.348 577 HB VAL 79 HB VAL 79 4.519 -1.906 -3.225 578 1HG1 VAL 79 HG11 VAL 79 6.977 -0.208 -2.976 579 2HG1 VAL 79 HG12 VAL 79 7.066 -1.906 -3.442 580 3HG1 VAL 79 HG13 VAL 79 6.379 -1.454 -1.882 581 1HG2 VAL 79 HG21 VAL 79 5.054 0.793 -2.485 582 2HG2 VAL 79 HG22 VAL 79 3.504 -0.044 -2.561 583 3HG2 VAL 79 HG23 VAL 79 4.124 0.793 -3.983 584 H TYR 80 HN TYR 80 4.003 -3.118 -6.086 585 HA TYR 80 HA TYR 80 1.630 -1.544 -6.824 586 1HB TYR 80 HB2 TYR 80 2.487 -4.149 -8.070 587 2HB TYR 80 HB1 TYR 80 1.261 -3.031 -8.653 588 HD1 TYR 80 HD1 TYR 80 4.798 -3.793 -8.490 589 HD2 TYR 80 HD2 TYR 80 1.915 -0.917 -9.695 590 HE1 TYR 80 HE1 TYR 80 6.488 -2.695 -9.885 591 HE2 TYR 80 HE2 TYR 80 3.601 0.199 -11.091 592 HH TYR 80 HH TYR 80 5.709 -0.339 -12.203 593 H LEU 81 HN LEU 81 -0.142 -1.945 -5.688 594 HA LEU 81 HA LEU 81 -0.421 -4.589 -4.432 595 1HB LEU 81 HB2 LEU 81 -0.710 -3.542 -2.496 596 2HB LEU 81 HB1 LEU 81 -0.503 -1.997 -3.288 597 HG LEU 81 HG LEU 81 -3.221 -3.141 -3.487 598 1HD1 LEU 81 HD11 LEU 81 -3.741 -2.325 -1.165 599 2HD1 LEU 81 HD12 LEU 81 -2.005 -2.349 -0.857 600 3HD1 LEU 81 HD13 LEU 81 -2.849 -3.843 -1.263 601 1HD2 LEU 81 HD21 LEU 81 -3.373 -0.611 -2.474 602 2HD2 LEU 81 HD22 LEU 81 -3.373 -1.022 -4.188 603 3HD2 LEU 81 HD23 LEU 81 -1.871 -0.551 -3.394 604 H GLN 82 HN GLN 82 -1.812 -5.805 -5.487 605 HA GLN 82 HA GLN 82 -3.981 -4.579 -6.995 606 1HB GLN 82 HB2 GLN 82 -2.274 -6.481 -7.727 607 2HB GLN 82 HB1 GLN 82 -3.506 -7.498 -7.006 608 1HG GLN 82 HG2 GLN 82 -5.186 -6.495 -8.492 609 2HG GLN 82 HG1 GLN 82 -3.915 -5.532 -9.243 610 1HE2 GLN 82 HE21 GLN 82 -5.379 -8.639 -8.986 611 2HE2 GLN 82 HE22 GLN 82 -4.479 -9.407 -10.245 612 H MET 83 HN MET 83 -5.566 -4.096 -5.528 613 HA MET 83 HA MET 83 -6.390 -6.006 -3.535 614 1HB MET 83 HB2 MET 83 -7.857 -3.493 -4.302 615 2HB MET 83 HB1 MET 83 -7.876 -4.337 -2.760 616 1HG MET 83 HG2 MET 83 -6.067 -3.296 -2.028 617 2HG MET 83 HG1 MET 83 -5.226 -3.455 -3.564 618 1HE MET 83 HE1 MET 83 -8.154 -0.271 -2.232 619 2HE MET 83 HE2 MET 83 -8.298 -2.021 -2.063 620 3HE MET 83 HE3 MET 83 -8.817 -1.233 -3.553 621 H ASN 84 HN ASN 84 -7.092 -7.794 -4.759 622 HA ASN 84 HA ASN 84 -9.278 -7.435 -6.623 623 1HB ASN 84 HB2 ASN 84 -8.586 -10.191 -5.935 624 2HB ASN 84 HB1 ASN 84 -8.655 -9.400 -7.497 625 1HD2 ASN 84 HD21 ASN 84 -6.706 -11.258 -6.148 626 2HD2 ASN 84 HD22 ASN 84 -5.173 -10.499 -6.383 627 H SER 85 HN SER 85 -11.007 -9.313 -6.384 628 HA SER 85 HA SER 85 -13.001 -9.679 -5.293 629 1HB SER 85 HB2 SER 85 -11.198 -11.464 -4.619 630 2HB SER 85 HB1 SER 85 -11.352 -10.725 -3.025 631 HG SER 85 HG SER 85 -12.964 -12.091 -2.892 632 H LEU 86 HN LEU 86 -12.226 -7.030 -4.858 633 HA LEU 86 HA LEU 86 -12.124 -6.226 -2.188 634 1HB LEU 86 HB2 LEU 86 -12.248 -4.985 -4.704 635 2HB LEU 86 HB1 LEU 86 -13.599 -4.339 -3.793 636 HG LEU 86 HG LEU 86 -11.573 -4.153 -1.964 637 1HD1 LEU 86 HD11 LEU 86 -9.760 -2.978 -3.341 638 2HD1 LEU 86 HD12 LEU 86 -10.420 -3.864 -4.716 639 3HD1 LEU 86 HD13 LEU 86 -9.776 -4.742 -3.328 640 1HD2 LEU 86 HD21 LEU 86 -11.459 -1.714 -3.067 641 2HD2 LEU 86 HD22 LEU 86 -12.815 -2.266 -2.084 642 3HD2 LEU 86 HD23 LEU 86 -12.923 -2.316 -3.844 643 H LYS 87 HN LYS 87 -13.813 -5.049 -0.994 644 HA LYS 87 HA LYS 87 -16.500 -6.154 -1.453 645 1HB LYS 87 HB2 LYS 87 -14.740 -6.442 0.874 646 2HB LYS 87 HB1 LYS 87 -16.354 -5.879 1.283 647 1HG LYS 87 HG2 LYS 87 -17.053 -7.975 1.194 648 2HG LYS 87 HG1 LYS 87 -16.714 -7.977 -0.538 649 1HD LYS 87 HD2 LYS 87 -14.265 -8.463 0.246 650 2HD LYS 87 HD1 LYS 87 -15.059 -9.009 1.724 651 1HE LYS 87 HE2 LYS 87 -16.568 -10.358 0.083 652 2HE LYS 87 HE1 LYS 87 -15.237 -10.115 -1.048 653 1HZ LYS 87 HZ1 LYS 87 -13.861 -10.974 1.004 654 2HZ LYS 87 HZ2 LYS 87 -14.585 -12.048 -0.083 655 3HZ LYS 87 HZ3 LYS 87 -15.331 -11.714 1.398 656 HA PRO 88 HA PRO 88 -18.031 -2.088 -0.687 657 1HB PRO 88 HB2 PRO 88 -20.278 -2.436 0.738 658 2HB PRO 88 HB1 PRO 88 -20.133 -3.014 -0.927 659 1HG PRO 88 HG2 PRO 88 -19.868 -4.539 1.636 660 2HG PRO 88 HG1 PRO 88 -20.714 -4.996 0.146 661 1HD PRO 88 HD2 PRO 88 -18.216 -5.893 0.806 662 2HD PRO 88 HD1 PRO 88 -18.789 -5.726 -0.865 663 H GLU 89 HN GLU 89 -16.438 -3.568 1.699 664 HA GLU 89 HA GLU 89 -16.963 -1.409 3.628 665 1HB GLU 89 HB2 GLU 89 -15.951 -4.156 4.350 666 2HB GLU 89 HB1 GLU 89 -16.513 -2.896 5.440 667 1HG GLU 89 HG2 GLU 89 -18.634 -3.531 5.250 668 2HG GLU 89 HG1 GLU 89 -18.527 -3.659 3.495 669 H ASP 90 HN ASP 90 -14.879 -2.107 1.351 670 HA ASP 90 HA ASP 90 -12.432 -1.807 2.918 671 1HB ASP 90 HB2 ASP 90 -13.060 -2.650 0.131 672 2HB ASP 90 HB1 ASP 90 -11.496 -1.899 0.427 673 H THR 91 HN THR 91 -14.674 0.108 1.200 674 HA THR 91 HA THR 91 -13.211 2.081 0.007 675 HB THR 91 HB THR 91 -15.749 2.285 1.619 676 HG1 THR 91 HG1 THR 91 -16.424 1.193 -0.031 677 1HG2 THR 91 HG21 THR 91 -15.612 4.492 1.352 678 2HG2 THR 91 HG22 THR 91 -15.930 4.175 -0.354 679 3HG2 THR 91 HG23 THR 91 -14.271 4.361 0.214 680 H ALA 92 HN ALA 92 -11.531 3.186 0.766 681 HA ALA 92 HA ALA 92 -11.737 4.866 3.044 682 1HB ALA 92 HB1 ALA 92 -11.394 2.994 4.414 683 2HB ALA 92 HB2 ALA 92 -9.808 3.756 4.294 684 3HB ALA 92 HB3 ALA 92 -10.171 2.320 3.337 685 H VAL 93 HN VAL 93 -9.456 5.811 3.583 686 HA VAL 93 HA VAL 93 -8.324 6.642 1.072 687 HB VAL 93 HB VAL 93 -8.773 8.144 3.056 688 1HG1 VAL 93 HG11 VAL 93 -6.125 7.243 4.115 689 2HG1 VAL 93 HG12 VAL 93 -7.627 6.491 4.653 690 3HG1 VAL 93 HG13 VAL 93 -7.367 8.218 4.899 691 1HG2 VAL 93 HG21 VAL 93 -7.008 8.366 1.026 692 2HG2 VAL 93 HG22 VAL 93 -5.933 8.567 2.410 693 3HG2 VAL 93 HG23 VAL 93 -7.318 9.640 2.205 694 H TYR 94 HN TYR 94 -6.968 5.245 0.096 695 HA TYR 94 HA TYR 94 -5.235 3.532 1.624 696 1HB TYR 94 HB2 TYR 94 -5.988 3.864 -1.243 697 2HB TYR 94 HB1 TYR 94 -4.499 3.028 -0.859 698 HD1 TYR 94 HD1 TYR 94 -4.527 0.776 -0.106 699 HD2 TYR 94 HD2 TYR 94 -8.154 2.991 -0.310 700 HE1 TYR 94 HE1 TYR 94 -5.804 -1.286 0.302 701 HE2 TYR 94 HE2 TYR 94 -9.440 0.937 0.098 702 HH TYR 94 HH TYR 94 -9.251 -1.413 -0.026 703 H THR 95 HN THR 95 -3.622 4.680 2.589 704 HA THR 95 HA THR 95 -2.010 6.460 0.889 705 HB THR 95 HB THR 95 -1.846 6.258 3.889 706 HG1 THR 95 HG1 THR 95 -3.294 8.041 3.907 707 1HG2 THR 95 HG21 THR 95 -0.446 7.969 3.803 708 2HG2 THR 95 HG22 THR 95 -1.505 8.869 2.717 709 3HG2 THR 95 HG23 THR 95 -0.352 7.706 2.061 710 H CYS 96 HN CYS 96 -0.020 5.875 0.294 711 HA CYS 96 HA CYS 96 1.049 3.384 1.378 712 1HB CYS 96 HB2 CYS 96 2.654 3.545 -0.541 713 2HB CYS 96 HB1 CYS 96 0.962 3.441 -1.013 714 H GLY 97 HN GLY 97 3.050 3.180 2.304 715 1HA GLY 97 HA2 GLY 97 4.602 5.633 2.755 716 2HA GLY 97 HA1 GLY 97 4.082 4.685 4.142 717 H ALA 98 HN ALA 98 6.555 4.806 4.344 718 HA ALA 98 HA ALA 98 7.603 2.281 3.318 719 1HB ALA 98 HB1 ALA 98 8.439 4.856 2.363 720 2HB ALA 98 HB2 ALA 98 8.929 3.249 1.828 721 3HB ALA 98 HB3 ALA 98 9.780 4.033 3.158 722 H GLY 99 HN GLY 99 9.696 1.705 4.390 723 1HA GLY 99 HA2 GLY 99 9.551 2.529 7.213 724 2HA GLY 99 HA1 GLY 99 10.174 0.990 6.641 725 H GLU 100 HN GLU 100 11.687 2.277 8.404 726 HA GLU 100 HA GLU 100 14.096 2.765 6.940 727 1HB GLU 100 HB2 GLU 100 12.528 5.029 8.002 728 2HB GLU 100 HB1 GLU 100 14.238 5.047 8.406 729 1HG GLU 100 HG2 GLU 100 13.758 4.441 5.608 730 2HG GLU 100 HG1 GLU 100 13.098 6.000 6.095 731 H GLY 101 HN GLY 101 15.509 1.622 8.077 732 1HA GLY 101 HA2 GLY 101 16.695 0.769 9.827 733 2HA GLY 101 HA1 GLY 101 16.194 2.184 10.737 734 H GLY 102 HN GLY 102 13.626 0.297 9.495 735 1HA GLY 102 HA2 GLY 102 12.658 -1.658 10.557 736 2HA GLY 102 HA1 GLY 102 13.358 -1.111 12.072 737 H THR 103 HN THR 103 12.426 1.708 11.056 738 HA THR 103 HA THR 103 9.786 1.499 12.296 739 HB THR 103 HB THR 103 11.310 3.998 11.631 740 HG1 THR 103 HG1 THR 103 11.592 2.288 13.854 741 1HG2 THR 103 HG21 THR 103 9.378 4.854 12.402 742 2HG2 THR 103 HG22 THR 103 10.124 4.525 13.966 743 3HG2 THR 103 HG23 THR 103 8.958 3.388 13.289 744 H TRP 104 HN TRP 104 8.307 3.399 11.405 745 HA TRP 104 HA TRP 104 8.399 3.483 8.481 746 1HB TRP 104 HB2 TRP 104 6.052 2.565 10.146 747 2HB TRP 104 HB1 TRP 104 5.908 3.051 8.459 748 HD1 TRP 104 HD1 TRP 104 7.600 0.346 10.625 749 HE1 TRP 104 HE1 TRP 104 7.972 -1.739 9.157 750 HE3 TRP 104 HE3 TRP 104 6.088 2.243 6.127 751 HZ2 TRP 104 HZ2 TRP 104 7.664 -2.476 6.444 752 HZ3 TRP 104 HZ3 TRP 104 6.161 0.788 4.145 753 HH2 TRP 104 HH2 TRP 104 6.934 -1.523 4.302 754 H ASP 105 HN ASP 105 8.905 5.655 8.508 755 HA ASP 105 HA ASP 105 6.845 7.431 9.626 756 1HB ASP 105 HB2 ASP 105 8.918 7.697 10.834 757 2HB ASP 105 HB1 ASP 105 9.793 7.919 9.329 758 H SER 106 HN SER 106 7.854 6.194 6.794 759 HA SER 106 HA SER 106 7.677 8.682 5.270 760 1HB SER 106 HB2 SER 106 9.282 6.517 4.913 761 2HB SER 106 HB1 SER 106 7.960 6.127 3.814 762 HG SER 106 HG SER 106 9.388 7.346 2.660 763 H TRP 107 HN TRP 107 5.935 9.256 4.108 764 HA TRP 107 HA TRP 107 3.859 7.270 3.555 765 1HB TRP 107 HB2 TRP 107 3.194 9.961 4.749 766 2HB TRP 107 HB1 TRP 107 2.096 8.623 4.442 767 HD1 TRP 107 HD1 TRP 107 4.849 9.725 6.865 768 HE1 TRP 107 HE1 TRP 107 4.660 8.318 9.014 769 HE3 TRP 107 HE3 TRP 107 1.259 6.422 5.352 770 HZ2 TRP 107 HZ2 TRP 107 3.180 6.098 9.941 771 HZ3 TRP 107 HZ3 TRP 107 0.510 4.688 6.927 772 HH2 TRP 107 HH2 TRP 107 1.452 4.529 9.174 773 H GLY 108 HN GLY 108 2.189 8.129 2.045 774 1HA GLY 108 HA2 GLY 108 3.487 9.904 0.079 775 2HA GLY 108 HA1 GLY 108 2.308 8.661 -0.313 776 H GLN 109 HN GLN 109 1.079 10.229 -1.461 777 HA GLN 109 HA GLN 109 -0.059 12.438 0.033 778 1HB GLN 109 HB2 GLN 109 0.653 12.355 -2.490 779 2HB GLN 109 HB1 GLN 109 -0.964 11.705 -2.711 780 1HG GLN 109 HG2 GLN 109 -1.628 13.818 -2.861 781 2HG GLN 109 HG1 GLN 109 -1.401 13.891 -1.114 782 1HE2 GLN 109 HE21 GLN 109 1.396 13.785 -1.053 783 2HE2 GLN 109 HE22 GLN 109 2.012 15.261 -1.704 784 H GLY 110 HN GLY 110 -0.977 9.274 -1.117 785 1HA GLY 110 HA2 GLY 110 -2.694 8.007 -0.078 786 2HA GLY 110 HA1 GLY 110 -3.467 9.504 0.414 787 H THR 111 HN THR 111 -4.614 7.188 -0.919 788 HA THR 111 HA THR 111 -5.878 8.612 -3.125 789 HB THR 111 HB THR 111 -4.060 7.288 -4.165 790 HG1 THR 111 HG1 THR 111 -5.445 6.146 -5.626 791 1HG2 THR 111 HG21 THR 111 -5.277 4.695 -3.904 792 2HG2 THR 111 HG22 THR 111 -4.744 5.309 -2.339 793 3HG2 THR 111 HG23 THR 111 -3.598 5.184 -3.673 794 H GLN 112 HN GLN 112 -7.934 8.636 -2.461 795 HA GLN 112 HA GLN 112 -9.035 6.698 -0.722 796 1HB GLN 112 HB2 GLN 112 -10.078 8.742 -0.514 797 2HB GLN 112 HB1 GLN 112 -10.110 9.027 -2.239 798 1HG GLN 112 HG2 GLN 112 -12.307 8.646 -1.946 799 2HG GLN 112 HG1 GLN 112 -11.810 6.968 -2.128 800 1HE2 GLN 112 HE21 GLN 112 -10.561 6.656 0.363 801 2HE2 GLN 112 HE22 GLN 112 -11.775 6.689 1.580 802 H VAL 113 HN VAL 113 -10.389 5.016 -1.055 803 HA VAL 113 HA VAL 113 -10.774 4.162 -3.849 804 HB VAL 113 HB VAL 113 -10.144 2.558 -1.381 805 1HG1 VAL 113 HG11 VAL 113 -11.444 1.705 -3.919 806 2HG1 VAL 113 HG12 VAL 113 -11.678 1.110 -2.275 807 3HG1 VAL 113 HG13 VAL 113 -10.251 0.628 -3.192 808 1HG2 VAL 113 HG21 VAL 113 -8.389 1.653 -3.062 809 2HG2 VAL 113 HG22 VAL 113 -8.138 3.231 -2.316 810 3HG2 VAL 113 HG23 VAL 113 -8.752 3.123 -3.966 811 H THR 114 HN THR 114 -12.842 3.912 -4.447 812 HA THR 114 HA THR 114 -14.882 3.772 -2.342 813 HB THR 114 HB THR 114 -15.091 4.783 -5.180 814 HG1 THR 114 HG1 THR 114 -15.314 6.786 -4.186 815 1HG2 THR 114 HG21 THR 114 -17.307 5.592 -4.578 816 2HG2 THR 114 HG22 THR 114 -17.177 4.791 -3.012 817 3HG2 THR 114 HG23 THR 114 -17.217 3.833 -4.492 818 H VAL 115 HN VAL 115 -16.488 2.233 -2.429 819 HA VAL 115 HA VAL 115 -16.287 0.226 -4.560 820 HB VAL 115 HB VAL 115 -17.018 -0.544 -1.752 821 1HG1 VAL 115 HG11 VAL 115 -16.438 -1.899 -4.289 822 2HG1 VAL 115 HG12 VAL 115 -17.451 -2.402 -2.936 823 3HG1 VAL 115 HG13 VAL 115 -15.704 -2.638 -2.866 824 1HG2 VAL 115 HG21 VAL 115 -14.733 0.613 -1.856 825 2HG2 VAL 115 HG22 VAL 115 -14.209 -0.787 -2.789 826 3HG2 VAL 115 HG23 VAL 115 -14.799 -0.996 -1.140 827 H SER 116 HN SER 116 -18.285 -1.187 -4.547 828 HA SER 116 HA SER 116 -20.710 0.122 -3.633 829 1HB SER 116 HB2 SER 116 -19.821 0.732 -6.152 830 2HB SER 116 HB1 SER 116 -20.887 -0.636 -6.474 831 HG SER 116 HG SER 116 -22.570 0.525 -5.905 832 H SER 117 HN SER 117 -22.515 -1.363 -5.197 833 HA SER 117 HA SER 117 -22.530 -3.817 -3.774 834 1HB SER 117 HB2 SER 117 -24.240 -2.594 -5.907 835 2HB SER 117 HB1 SER 117 -24.435 -4.304 -5.523 836 HG SER 117 HG SER 117 -25.407 -2.219 -4.216 Start of MODEL 5 1 1H GLN 1 HT1 GLN 1 15.370 13.612 5.319 2 2H GLN 1 HT2 GLN 1 15.506 13.378 3.624 3 3H GLN 1 HT3 GLN 1 15.564 12.031 4.686 4 HA GLN 1 HA GLN 1 13.321 12.413 5.345 5 1HB GLN 1 HB2 GLN 1 12.003 14.131 4.194 6 2HB GLN 1 HB1 GLN 1 13.354 14.848 5.062 7 1HG GLN 1 HG2 GLN 1 14.585 15.145 3.034 8 2HG GLN 1 HG1 GLN 1 13.383 14.238 2.117 9 1HE2 GLN 1 HE21 GLN 1 11.496 15.220 1.505 10 2HE2 GLN 1 HE22 GLN 1 11.212 16.915 1.678 11 H VAL 2 HN VAL 2 11.615 11.396 4.206 12 HA VAL 2 HA VAL 2 12.429 10.283 1.602 13 HB VAL 2 HB VAL 2 10.407 8.635 2.593 14 1HG1 VAL 2 HG11 VAL 2 12.414 8.008 1.289 15 2HG1 VAL 2 HG12 VAL 2 12.119 6.947 2.666 16 3HG1 VAL 2 HG13 VAL 2 13.381 8.176 2.755 17 1HG2 VAL 2 HG21 VAL 2 12.330 9.370 4.794 18 2HG2 VAL 2 HG22 VAL 2 11.330 7.918 4.798 19 3HG2 VAL 2 HG23 VAL 2 10.572 9.510 4.814 20 H GLN 3 HN GLN 3 10.622 9.670 0.159 21 HA GLN 3 HA GLN 3 8.169 11.208 0.551 22 1HB GLN 3 HB2 GLN 3 10.099 11.556 -1.730 23 2HB GLN 3 HB1 GLN 3 8.395 11.952 -1.902 24 1HG GLN 3 HG2 GLN 3 9.338 13.166 0.480 25 2HG GLN 3 HG1 GLN 3 10.482 13.525 -0.812 26 1HE2 GLN 3 HE21 GLN 3 6.954 13.160 -0.692 27 2HE2 GLN 3 HE22 GLN 3 6.599 14.691 -1.409 28 H LEU 4 HN LEU 4 6.395 10.472 -0.674 29 HA LEU 4 HA LEU 4 6.754 8.143 -2.376 30 1HB LEU 4 HB2 LEU 4 5.100 8.069 0.147 31 2HB LEU 4 HB1 LEU 4 5.052 6.845 -1.107 32 HG LEU 4 HG LEU 4 7.699 6.851 -0.570 33 1HD1 LEU 4 HD11 LEU 4 8.016 8.175 1.227 34 2HD1 LEU 4 HD12 LEU 4 7.482 6.742 2.106 35 3HD1 LEU 4 HD13 LEU 4 6.340 8.041 1.759 36 1HD2 LEU 4 HD21 LEU 4 7.157 4.919 0.986 37 2HD2 LEU 4 HD22 LEU 4 6.486 4.836 -0.642 38 3HD2 LEU 4 HD23 LEU 4 5.460 5.311 0.711 39 H GLN 5 HN GLN 5 4.864 7.610 -3.612 40 HA GLN 5 HA GLN 5 2.595 9.413 -3.484 41 1HB GLN 5 HB2 GLN 5 4.445 10.454 -4.937 42 2HB GLN 5 HB1 GLN 5 4.081 9.177 -6.091 43 1HG GLN 5 HG2 GLN 5 2.271 10.224 -6.826 44 2HG GLN 5 HG1 GLN 5 1.692 10.536 -5.191 45 1HE2 GLN 5 HE21 GLN 5 3.039 12.273 -4.032 46 2HE2 GLN 5 HE22 GLN 5 3.360 13.700 -4.951 47 H GLU 6 HN GLU 6 0.856 8.755 -4.980 48 HA GLU 6 HA GLU 6 0.973 5.854 -5.487 49 1HB GLU 6 HB2 GLU 6 -1.691 7.095 -5.443 50 2HB GLU 6 HB1 GLU 6 -1.123 5.625 -4.667 51 1HG GLU 6 HG2 GLU 6 -0.636 8.415 -3.648 52 2HG GLU 6 HG1 GLU 6 -1.898 7.328 -3.073 53 H SER 7 HN SER 7 -0.452 5.087 -7.281 54 HA SER 7 HA SER 7 -1.186 6.912 -9.355 55 1HB SER 7 HB2 SER 7 1.081 5.062 -10.076 56 2HB SER 7 HB1 SER 7 0.445 6.427 -10.993 57 HG SER 7 HG SER 7 2.311 7.117 -10.033 58 H GLY 8 HN GLY 8 -3.151 5.881 -9.406 59 1HA GLY 8 HA2 GLY 8 -3.987 4.107 -11.080 60 2HA GLY 8 HA1 GLY 8 -3.148 2.999 -10.006 61 H GLY 9 HN GLY 9 -3.925 4.602 -7.624 62 1HA GLY 9 HA2 GLY 9 -6.104 3.191 -6.764 63 2HA GLY 9 HA1 GLY 9 -5.631 4.744 -6.105 64 H GLY 10 HN GLY 10 -8.245 3.368 -6.805 65 1HA GLY 10 HA2 GLY 10 -9.716 5.679 -7.422 66 2HA GLY 10 HA1 GLY 10 -9.525 4.732 -8.889 67 H LEU 11 HN LEU 11 -11.949 4.851 -8.535 68 HA LEU 11 HA LEU 11 -13.152 3.291 -6.540 69 1HB LEU 11 HB2 LEU 11 -14.281 4.071 -9.216 70 2HB LEU 11 HB1 LEU 11 -15.195 3.563 -7.805 71 HG LEU 11 HG LEU 11 -13.615 5.700 -6.943 72 1HD1 LEU 11 HD11 LEU 11 -14.466 6.008 -9.752 73 2HD1 LEU 11 HD12 LEU 11 -13.137 6.767 -8.875 74 3HD1 LEU 11 HD13 LEU 11 -14.781 7.376 -8.684 75 1HD2 LEU 11 HD21 LEU 11 -16.195 4.869 -6.709 76 2HD2 LEU 11 HD22 LEU 11 -16.385 6.332 -7.675 77 3HD2 LEU 11 HD23 LEU 11 -15.578 6.407 -6.109 78 H VAL 12 HN VAL 12 -14.168 1.253 -6.695 79 HA VAL 12 HA VAL 12 -13.725 -0.385 -9.041 80 HB VAL 12 HB VAL 12 -11.612 -0.667 -7.867 81 1HG1 VAL 12 HG11 VAL 12 -13.147 -1.821 -5.552 82 2HG1 VAL 12 HG12 VAL 12 -12.594 -0.147 -5.596 83 3HG1 VAL 12 HG13 VAL 12 -11.423 -1.464 -5.649 84 1HG2 VAL 12 HG21 VAL 12 -13.462 -3.042 -7.784 85 2HG2 VAL 12 HG22 VAL 12 -11.719 -3.155 -7.536 86 3HG2 VAL 12 HG23 VAL 12 -12.355 -2.576 -9.076 87 H GLN 13 HN GLN 13 -15.625 -1.336 -9.346 88 HA GLN 13 HA GLN 13 -17.714 -1.471 -7.556 89 1HB GLN 13 HB2 GLN 13 -17.284 -2.209 -10.181 90 2HB GLN 13 HB1 GLN 13 -17.745 -3.707 -9.391 91 1HG GLN 13 HG2 GLN 13 -19.374 -1.303 -8.829 92 2HG GLN 13 HG1 GLN 13 -19.516 -2.034 -10.427 93 1HE2 GLN 13 HE21 GLN 13 -20.521 -2.142 -7.225 94 2HE2 GLN 13 HE22 GLN 13 -21.349 -3.658 -7.266 95 H ALA 14 HN ALA 14 -18.463 -2.919 -6.076 96 HA ALA 14 HA ALA 14 -16.750 -4.435 -4.575 97 1HB ALA 14 HB1 ALA 14 -19.128 -5.739 -4.193 98 2HB ALA 14 HB2 ALA 14 -19.646 -4.170 -4.809 99 3HB ALA 14 HB3 ALA 14 -18.626 -4.260 -3.373 100 H GLY 15 HN GLY 15 -15.683 -6.276 -4.892 101 1HA GLY 15 HA2 GLY 15 -15.555 -8.581 -5.437 102 2HA GLY 15 HA1 GLY 15 -16.889 -8.364 -6.559 103 H GLY 16 HN GLY 16 -14.858 -5.820 -7.079 104 1HA GLY 16 HA2 GLY 16 -13.594 -7.230 -9.332 105 2HA GLY 16 HA1 GLY 16 -13.920 -5.504 -9.267 106 H SER 17 HN SER 17 -11.433 -7.262 -9.636 107 HA SER 17 HA SER 17 -9.767 -6.562 -7.402 108 1HB SER 17 HB2 SER 17 -9.099 -8.562 -8.387 109 2HB SER 17 HB1 SER 17 -9.319 -7.935 -10.015 110 HG SER 17 HG SER 17 -7.210 -7.484 -8.211 111 H LEU 18 HN LEU 18 -8.213 -4.973 -7.281 112 HA LEU 18 HA LEU 18 -7.982 -3.150 -9.566 113 1HB LEU 18 HB2 LEU 18 -9.585 -2.236 -7.916 114 2HB LEU 18 HB1 LEU 18 -8.330 -2.299 -6.692 115 HG LEU 18 HG LEU 18 -6.994 -0.801 -8.315 116 1HD1 LEU 18 HD11 LEU 18 -9.018 -1.209 -10.007 117 2HD1 LEU 18 HD12 LEU 18 -8.038 0.257 -10.021 118 3HD1 LEU 18 HD13 LEU 18 -9.605 0.252 -9.211 119 1HD2 LEU 18 HD21 LEU 18 -9.372 0.538 -7.082 120 2HD2 LEU 18 HD22 LEU 18 -7.697 1.088 -7.152 121 3HD2 LEU 18 HD23 LEU 18 -8.148 -0.236 -6.077 122 H ARG 19 HN ARG 19 -6.002 -2.021 -9.699 123 HA ARG 19 HA ARG 19 -3.889 -3.064 -7.933 124 1HB ARG 19 HB2 ARG 19 -3.793 -4.135 -10.138 125 2HB ARG 19 HB1 ARG 19 -3.706 -2.555 -10.903 126 1HG ARG 19 HG2 ARG 19 -1.551 -2.142 -10.011 127 2HG ARG 19 HG1 ARG 19 -1.658 -3.538 -8.936 128 1HD ARG 19 HD2 ARG 19 -2.081 -4.604 -11.455 129 2HD ARG 19 HD1 ARG 19 -0.835 -3.385 -11.719 130 HE ARG 19 HE ARG 19 0.053 -4.731 -9.542 131 1HH1 ARG 19 HH11 ARG 19 -0.984 -5.728 -12.721 132 2HH1 ARG 19 HH12 ARG 19 0.052 -7.114 -12.761 133 1HH2 ARG 19 HH21 ARG 19 1.418 -6.554 -9.593 134 2HH2 ARG 19 HH22 ARG 19 1.417 -7.583 -10.986 135 H LEU 20 HN LEU 20 -2.713 -1.569 -6.939 136 HA LEU 20 HA LEU 20 -2.754 1.171 -8.008 137 1HB LEU 20 HB2 LEU 20 -2.078 0.644 -5.157 138 2HB LEU 20 HB1 LEU 20 -2.821 2.053 -5.884 139 HG LEU 20 HG LEU 20 -4.174 -0.586 -5.332 140 1HD1 LEU 20 HD11 LEU 20 -5.555 1.362 -4.017 141 2HD1 LEU 20 HD12 LEU 20 -3.890 1.920 -3.849 142 3HD1 LEU 20 HD13 LEU 20 -4.342 0.310 -3.287 143 1HD2 LEU 20 HD21 LEU 20 -5.507 0.015 -7.029 144 2HD2 LEU 20 HD22 LEU 20 -4.876 1.661 -7.068 145 3HD2 LEU 20 HD23 LEU 20 -6.135 1.226 -5.911 146 H SER 21 HN SER 21 -0.828 2.359 -7.925 147 HA SER 21 HA SER 21 1.603 0.798 -7.392 148 1HB SER 21 HB2 SER 21 1.081 2.532 -9.812 149 2HB SER 21 HB1 SER 21 2.631 1.825 -9.407 150 HG SER 21 HG SER 21 0.632 0.724 -10.742 151 H CYS 22 HN CYS 22 2.801 1.769 -5.910 152 HA CYS 22 HA CYS 22 2.839 4.714 -5.892 153 1HB CYS 22 HB2 CYS 22 2.882 4.757 -3.495 154 2HB CYS 22 HB1 CYS 22 1.519 3.761 -3.987 155 H ALA 23 HN ALA 23 4.772 5.644 -5.925 156 HA ALA 23 HA ALA 23 7.124 3.891 -5.824 157 1HB ALA 23 HB1 ALA 23 6.841 6.667 -6.969 158 2HB ALA 23 HB2 ALA 23 6.808 5.160 -7.885 159 3HB ALA 23 HB3 ALA 23 8.282 5.654 -7.052 160 H ALA 24 HN ALA 24 9.166 4.995 -5.020 161 HA ALA 24 HA ALA 24 8.627 6.765 -2.739 162 1HB ALA 24 HB1 ALA 24 9.017 4.111 -2.357 163 2HB ALA 24 HB2 ALA 24 9.427 5.357 -1.178 164 3HB ALA 24 HB3 ALA 24 10.672 4.712 -2.248 165 H SER 25 HN SER 25 9.675 8.558 -3.357 166 HA SER 25 HA SER 25 12.318 8.323 -4.594 167 1HB SER 25 HB2 SER 25 12.060 10.617 -5.273 168 2HB SER 25 HB1 SER 25 10.549 9.782 -5.634 169 HG SER 25 HG SER 25 10.331 11.864 -4.568 170 H GLY 26 HN GLY 26 13.839 8.059 -3.063 171 1HA GLY 26 HA2 GLY 26 14.850 10.103 -1.561 172 2HA GLY 26 HA1 GLY 26 13.682 9.337 -0.495 173 H ARG 27 HN ARG 27 16.408 9.467 0.091 174 HA ARG 27 HA ARG 27 17.782 7.093 -0.642 175 1HB ARG 27 HB2 ARG 27 18.176 9.166 1.493 176 2HB ARG 27 HB1 ARG 27 19.184 7.730 1.424 177 1HG ARG 27 HG2 ARG 27 19.053 8.928 -1.169 178 2HG ARG 27 HG1 ARG 27 19.509 10.142 0.027 179 1HD ARG 27 HD2 ARG 27 21.183 8.382 0.868 180 2HD ARG 27 HD1 ARG 27 20.891 7.572 -0.670 181 HE ARG 27 HE ARG 27 21.482 10.099 -1.417 182 1HH1 ARG 27 HH11 ARG 27 23.080 7.801 0.665 183 2HH1 ARG 27 HH12 ARG 27 24.667 8.404 0.324 184 1HH2 ARG 27 HH21 ARG 27 23.570 10.895 -1.869 185 2HH2 ARG 27 HH22 ARG 27 24.945 10.160 -1.115 186 H THR 28 HN THR 28 16.504 5.304 -0.234 187 HA THR 28 HA THR 28 16.481 4.417 2.518 188 HB THR 28 HB THR 28 14.349 5.649 2.321 189 HG1 THR 28 HG1 THR 28 14.016 4.086 3.713 190 1HG2 THR 28 HG21 THR 28 12.637 5.113 0.863 191 2HG2 THR 28 HG22 THR 28 13.359 3.565 0.424 192 3HG2 THR 28 HG23 THR 28 14.069 5.068 -0.166 193 H GLY 29 HN GLY 29 17.592 2.586 2.191 194 1HA GLY 29 HA2 GLY 29 16.359 0.435 0.774 195 2HA GLY 29 HA1 GLY 29 17.791 1.040 -0.039 196 H SER 30 HN SER 30 17.363 0.946 3.442 197 HA SER 30 HA SER 30 19.430 -1.149 3.572 198 1HB SER 30 HB2 SER 30 20.369 1.008 4.226 199 2HB SER 30 HB1 SER 30 19.079 1.233 5.407 200 HG SER 30 HG SER 30 21.131 -0.722 5.429 201 H THR 31 HN THR 31 17.382 0.442 6.015 202 HA THR 31 HA THR 31 16.457 -2.236 6.824 203 HB THR 31 HB THR 31 16.303 -1.460 9.076 204 HG1 THR 31 HG1 THR 31 16.797 0.736 9.574 205 1HG2 THR 31 HG21 THR 31 18.842 -0.699 7.711 206 2HG2 THR 31 HG22 THR 31 18.518 -2.025 8.829 207 3HG2 THR 31 HG23 THR 31 18.622 -0.370 9.430 208 H TYR 32 HN TYR 32 15.476 0.995 5.954 209 HA TYR 32 HA TYR 32 12.834 0.862 6.865 210 1HB TYR 32 HB2 TYR 32 13.183 2.565 4.571 211 2HB TYR 32 HB1 TYR 32 12.875 2.982 6.237 212 HD1 TYR 32 HD1 TYR 32 14.572 3.837 7.650 213 HD2 TYR 32 HD2 TYR 32 15.547 2.382 3.771 214 HE1 TYR 32 HE1 TYR 32 16.810 4.833 7.844 215 HE2 TYR 32 HE2 TYR 32 17.789 3.375 3.959 216 HH TYR 32 HH TYR 32 19.302 4.065 6.356 217 H ASP 33 HN ASP 33 11.072 -0.024 5.987 218 HA ASP 33 HA ASP 33 11.347 -1.384 3.402 219 1HB ASP 33 HB2 ASP 33 9.233 -1.751 5.536 220 2HB ASP 33 HB1 ASP 33 9.452 -2.747 4.101 221 H MET 34 HN MET 34 8.801 -1.665 2.554 222 HA MET 34 HA MET 34 7.576 0.985 2.495 223 1HB MET 34 HB2 MET 34 9.273 0.166 0.458 224 2HB MET 34 HB1 MET 34 7.668 -0.170 -0.177 225 1HG MET 34 HG2 MET 34 7.372 2.337 0.883 226 2HG MET 34 HG1 MET 34 9.021 2.372 0.262 227 1HE MET 34 HE1 MET 34 8.480 1.414 -3.496 228 2HE MET 34 HE2 MET 34 9.077 0.529 -2.092 229 3HE MET 34 HE3 MET 34 9.625 2.178 -2.393 230 H GLY 35 HN GLY 35 5.442 0.818 2.736 231 1HA GLY 35 HA2 GLY 35 4.019 -1.416 1.505 232 2HA GLY 35 HA1 GLY 35 3.930 -1.295 3.255 233 H TRP 36 HN TRP 36 1.636 -1.235 1.769 234 HA TRP 36 HA TRP 36 0.849 1.537 1.443 235 1HB TRP 36 HB2 TRP 36 -0.530 -1.063 0.887 236 2HB TRP 36 HB1 TRP 36 -1.315 0.488 0.694 237 HD1 TRP 36 HD1 TRP 36 1.778 -1.390 -0.690 238 HE1 TRP 36 HE1 TRP 36 2.146 -0.631 -3.121 239 HE3 TRP 36 HE3 TRP 36 -1.899 2.149 -1.001 240 HZ2 TRP 36 HZ2 TRP 36 1.028 1.221 -4.931 241 HZ3 TRP 36 HZ3 TRP 36 -2.183 3.370 -3.119 242 HH2 TRP 36 HH2 TRP 36 -0.751 2.915 -5.042 243 H PHE 37 HN PHE 37 -1.049 2.394 2.445 244 HA PHE 37 HA PHE 37 -1.853 1.073 4.925 245 1HB PHE 37 HB2 PHE 37 -0.553 3.720 4.567 246 2HB PHE 37 HB1 PHE 37 -1.835 3.605 5.757 247 HD1 PHE 37 HD1 PHE 37 -1.256 3.059 7.913 248 HD2 PHE 37 HD2 PHE 37 1.237 1.774 4.713 249 HE1 PHE 37 HE1 PHE 37 0.340 2.126 9.536 250 HE2 PHE 37 HE2 PHE 37 2.836 0.835 6.330 251 HZ PHE 37 HZ PHE 37 2.389 1.010 8.745 252 H ARG 38 HN ARG 38 -3.688 2.569 5.947 253 HA ARG 38 HA ARG 38 -5.388 3.784 3.946 254 1HB ARG 38 HB2 ARG 38 -7.303 2.332 4.391 255 2HB ARG 38 HB1 ARG 38 -5.962 1.416 3.720 256 1HG ARG 38 HG2 ARG 38 -5.393 0.611 5.951 257 2HG ARG 38 HG1 ARG 38 -6.732 1.541 6.628 258 1HD ARG 38 HD2 ARG 38 -7.088 -0.568 4.510 259 2HD ARG 38 HD1 ARG 38 -7.180 -0.910 6.237 260 HE ARG 38 HE ARG 38 -8.929 1.149 5.858 261 1HH1 ARG 38 HH11 ARG 38 -8.549 -2.033 4.477 262 2HH1 ARG 38 HH12 ARG 38 -10.240 -2.235 4.161 263 1HH2 ARG 38 HH21 ARG 38 -11.154 0.887 5.446 264 2HH2 ARG 38 HH22 ARG 38 -11.721 -0.578 4.714 265 H GLN 39 HN GLN 39 -7.325 4.802 4.920 266 HA GLN 39 HA GLN 39 -7.547 4.968 7.764 267 1HB GLN 39 HB2 GLN 39 -5.504 6.359 7.284 268 2HB GLN 39 HB1 GLN 39 -6.539 7.449 6.371 269 1HG GLN 39 HG2 GLN 39 -7.461 8.347 8.223 270 2HG GLN 39 HG1 GLN 39 -7.403 6.833 9.121 271 1HE2 GLN 39 HE21 GLN 39 -6.653 8.099 10.900 272 2HE2 GLN 39 HE22 GLN 39 -4.991 8.555 11.001 273 H ALA 40 HN ALA 40 -9.229 6.455 8.459 274 HA ALA 40 HA ALA 40 -11.025 7.362 6.323 275 1HB ALA 40 HB1 ALA 40 -11.539 5.043 7.600 276 2HB ALA 40 HB2 ALA 40 -12.791 6.111 6.967 277 3HB ALA 40 HB3 ALA 40 -12.355 6.181 8.674 278 HA PRO 41 HA PRO 41 -11.532 10.965 8.794 279 1HB PRO 41 HB2 PRO 41 -14.161 11.592 8.505 280 2HB PRO 41 HB1 PRO 41 -12.978 11.799 7.208 281 1HG PRO 41 HG2 PRO 41 -14.944 9.586 7.644 282 2HG PRO 41 HG1 PRO 41 -14.502 10.410 6.137 283 1HD PRO 41 HD2 PRO 41 -13.517 7.977 6.823 284 2HD PRO 41 HD1 PRO 41 -12.594 9.149 5.861 285 H GLY 42 HN GLY 42 -11.777 11.474 10.861 286 1HA GLY 42 HA2 GLY 42 -12.480 11.374 13.050 287 2HA GLY 42 HA1 GLY 42 -13.937 10.567 12.482 288 H LYS 43 HN LYS 43 -11.348 8.893 11.258 289 HA LYS 43 HA LYS 43 -11.425 6.984 13.497 290 1HB LYS 43 HB2 LYS 43 -12.300 6.562 11.010 291 2HB LYS 43 HB1 LYS 43 -10.610 6.159 10.769 292 1HG LYS 43 HG2 LYS 43 -11.150 4.108 11.452 293 2HG LYS 43 HG1 LYS 43 -11.251 4.794 13.074 294 1HD LYS 43 HD2 LYS 43 -13.473 4.556 13.142 295 2HD LYS 43 HD1 LYS 43 -13.674 5.240 11.527 296 1HE LYS 43 HE2 LYS 43 -13.305 3.144 10.493 297 2HE LYS 43 HE1 LYS 43 -12.711 2.429 11.991 298 1HZ LYS 43 HZ1 LYS 43 -15.203 2.139 11.093 299 2HZ LYS 43 HZ2 LYS 43 -15.409 3.485 12.096 300 3HZ LYS 43 HZ3 LYS 43 -14.783 2.048 12.730 301 H GLU 44 HN GLU 44 -9.379 5.353 12.936 302 HA GLU 44 HA GLU 44 -7.042 7.103 13.181 303 1HB GLU 44 HB2 GLU 44 -5.941 5.110 14.197 304 2HB GLU 44 HB1 GLU 44 -7.344 5.676 15.092 305 1HG GLU 44 HG2 GLU 44 -8.239 3.748 13.224 306 2HG GLU 44 HG1 GLU 44 -6.820 3.093 14.039 307 H ARG 45 HN ARG 45 -4.951 5.685 12.525 308 HA ARG 45 HA ARG 45 -5.403 5.014 9.703 309 1HB ARG 45 HB2 ARG 45 -3.208 5.696 9.243 310 2HB ARG 45 HB1 ARG 45 -3.779 6.865 10.423 311 1HG ARG 45 HG2 ARG 45 -2.658 5.344 12.166 312 2HG ARG 45 HG1 ARG 45 -1.819 4.634 10.784 313 1HD ARG 45 HD2 ARG 45 -0.762 6.662 10.248 314 2HD ARG 45 HD1 ARG 45 -1.859 7.599 11.261 315 HE ARG 45 HE ARG 45 0.514 6.203 12.098 316 1HH1 ARG 45 HH11 ARG 45 -2.551 7.525 13.120 317 2HH1 ARG 45 HH12 ARG 45 -2.069 7.689 14.775 318 1HH2 ARG 45 HH21 ARG 45 1.147 6.415 14.274 319 2HH2 ARG 45 HH22 ARG 45 0.030 7.057 15.431 320 H GLU 46 HN GLU 46 -4.777 3.093 8.831 321 HA GLU 46 HA GLU 46 -3.356 1.173 10.513 322 1HB GLU 46 HB2 GLU 46 -4.959 -0.572 10.173 323 2HB GLU 46 HB1 GLU 46 -5.819 0.824 10.804 324 1HG GLU 46 HG2 GLU 46 -6.609 1.368 8.572 325 2HG GLU 46 HG1 GLU 46 -5.718 -0.003 7.913 326 H SER 47 HN SER 47 -2.195 -0.390 9.346 327 HA SER 47 HA SER 47 -1.576 0.398 6.651 328 1HB SER 47 HB2 SER 47 0.108 -0.312 8.445 329 2HB SER 47 HB1 SER 47 -0.398 -1.956 8.104 330 HG SER 47 HG SER 47 0.858 -1.904 6.439 331 H VAL 48 HN VAL 48 -1.073 -1.508 5.136 332 HA VAL 48 HA VAL 48 -3.301 -3.431 5.149 333 HB VAL 48 HB VAL 48 -2.334 -2.268 2.580 334 1HG1 VAL 48 HG11 VAL 48 -3.841 -4.330 2.840 335 2HG1 VAL 48 HG12 VAL 48 -4.319 -3.088 1.683 336 3HG1 VAL 48 HG13 VAL 48 -5.104 -3.173 3.260 337 1HG2 VAL 48 HG21 VAL 48 -2.979 -0.370 4.053 338 2HG2 VAL 48 HG22 VAL 48 -4.585 -1.086 4.195 339 3HG2 VAL 48 HG23 VAL 48 -3.998 -0.539 2.624 340 H ALA 49 HN ALA 49 -0.322 -2.610 3.385 341 HA ALA 49 HA ALA 49 0.695 -5.292 3.843 342 1HB ALA 49 HB1 ALA 49 -0.653 -5.366 1.721 343 2HB ALA 49 HB2 ALA 49 1.036 -5.845 1.556 344 3HB ALA 49 HB3 ALA 49 0.517 -4.245 1.025 345 H ALA 50 HN ALA 50 2.980 -5.492 3.305 346 HA ALA 50 HA ALA 50 4.441 -3.115 2.588 347 1HB ALA 50 HB1 ALA 50 4.226 -2.469 4.816 348 2HB ALA 50 HB2 ALA 50 5.806 -3.251 4.755 349 3HB ALA 50 HB3 ALA 50 4.418 -4.119 5.410 350 H ILE 51 HN ILE 51 6.463 -3.543 1.852 351 HA ILE 51 HA ILE 51 7.377 -6.336 2.030 352 HB ILE 51 HB ILE 51 6.595 -5.859 -0.223 353 1HG1 ILE 51 HG12 ILE 51 8.740 -6.325 -1.462 354 2HG1 ILE 51 HG11 ILE 51 9.597 -6.065 0.054 355 1HG2 ILE 51 HG21 ILE 51 8.411 -4.116 -1.345 356 2HG2 ILE 51 HG22 ILE 51 8.024 -3.368 0.205 357 3HG2 ILE 51 HG23 ILE 51 6.734 -3.753 -0.934 358 1HD1 ILE 51 HD11 ILE 51 8.066 -7.892 0.996 359 2HD1 ILE 51 HD12 ILE 51 9.376 -8.369 -0.085 360 3HD1 ILE 51 HD13 ILE 51 7.723 -8.272 -0.692 361 H ASN 52 HN ASN 52 9.495 -6.701 2.462 362 HA ASN 52 HA ASN 52 10.975 -4.607 3.679 363 1HB ASN 52 HB2 ASN 52 12.053 -7.313 2.934 364 2HB ASN 52 HB1 ASN 52 12.502 -6.289 4.283 365 1HD2 ASN 52 HD21 ASN 52 11.709 -9.045 4.353 366 2HD2 ASN 52 HD22 ASN 52 10.296 -9.134 5.344 367 H TRP 53 HN TRP 53 13.155 -3.982 3.096 368 HA TRP 53 HA TRP 53 13.407 -3.595 0.227 369 1HB TRP 53 HB2 TRP 53 13.906 -1.958 2.368 370 2HB TRP 53 HB1 TRP 53 15.524 -2.512 1.953 371 HD1 TRP 53 HD1 TRP 53 13.377 0.262 1.238 372 HE1 TRP 53 HE1 TRP 53 13.938 1.377 -1.014 373 HE3 TRP 53 HE3 TRP 53 16.235 -3.444 -0.812 374 HZ2 TRP 53 HZ2 TRP 53 15.400 0.764 -3.350 375 HZ3 TRP 53 HZ3 TRP 53 17.179 -3.104 -3.058 376 HH2 TRP 53 HH2 TRP 53 16.769 -1.043 -4.300 377 H ASP 54 HN ASP 54 13.899 -5.785 -0.292 378 HA ASP 54 HA ASP 54 16.563 -6.336 -0.754 379 1HB ASP 54 HB2 ASP 54 16.896 -8.266 0.870 380 2HB ASP 54 HB1 ASP 54 16.997 -6.650 1.561 381 H SER 55 HN SER 55 13.328 -7.506 -0.243 382 HA SER 55 HA SER 55 12.035 -8.847 -1.573 383 1HB SER 55 HB2 SER 55 14.001 -8.239 -3.335 384 2HB SER 55 HB1 SER 55 14.248 -9.978 -3.181 385 HG SER 55 HG SER 55 11.725 -8.802 -3.710 386 H ALA 56 HN ALA 56 11.727 -10.097 0.291 387 HA ALA 56 HA ALA 56 12.711 -12.798 0.051 388 1HB ALA 56 HB1 ALA 56 13.136 -11.758 2.776 389 2HB ALA 56 HB2 ALA 56 14.284 -11.215 1.552 390 3HB ALA 56 HB3 ALA 56 14.063 -12.939 1.852 391 H ARG 57 HN ARG 57 10.952 -10.473 2.084 392 HA ARG 57 HA ARG 57 8.698 -12.307 2.176 393 1HB ARG 57 HB2 ARG 57 10.477 -12.316 4.277 394 2HB ARG 57 HB1 ARG 57 9.246 -11.187 4.826 395 1HG ARG 57 HG2 ARG 57 8.411 -13.814 3.696 396 2HG ARG 57 HG1 ARG 57 9.044 -13.736 5.341 397 1HD ARG 57 HD2 ARG 57 6.978 -11.751 4.594 398 2HD ARG 57 HD1 ARG 57 6.454 -13.423 4.760 399 HE ARG 57 HE ARG 57 7.008 -13.356 7.039 400 1HH1 ARG 57 HH11 ARG 57 7.615 -10.293 5.464 401 2HH1 ARG 57 HH12 ARG 57 7.714 -9.413 6.950 402 1HH2 ARG 57 HH21 ARG 57 7.142 -12.192 8.986 403 2HH2 ARG 57 HH22 ARG 57 7.449 -10.488 8.946 404 H THR 58 HN THR 58 6.719 -11.323 2.659 405 HA THR 58 HA THR 58 6.771 -8.379 2.654 406 HB THR 58 HB THR 58 4.303 -9.596 1.682 407 HG1 THR 58 HG1 THR 58 5.066 -10.784 0.137 408 1HG2 THR 58 HG21 THR 58 5.172 -8.129 -0.366 409 2HG2 THR 58 HG22 THR 58 6.103 -7.389 0.936 410 3HG2 THR 58 HG23 THR 58 4.343 -7.445 1.032 411 H TYR 59 HN TYR 59 4.342 -7.654 3.267 412 HA TYR 59 HA TYR 59 3.488 -9.143 5.645 413 1HB TYR 59 HB2 TYR 59 4.956 -7.403 6.486 414 2HB TYR 59 HB1 TYR 59 4.107 -6.183 5.543 415 HD1 TYR 59 HD1 TYR 59 1.688 -5.679 6.130 416 HD2 TYR 59 HD2 TYR 59 4.236 -7.970 8.653 417 HE1 TYR 59 HE1 TYR 59 0.179 -5.260 8.025 418 HE2 TYR 59 HE2 TYR 59 2.732 -7.557 10.555 419 HH TYR 59 HH TYR 59 0.698 -5.280 10.832 420 H TYR 60 HN TYR 60 1.301 -9.041 6.079 421 HA TYR 60 HA TYR 60 -0.329 -7.459 4.218 422 1HB TYR 60 HB2 TYR 60 -0.470 -10.347 4.966 423 2HB TYR 60 HB1 TYR 60 -1.952 -9.491 4.583 424 HD1 TYR 60 HD1 TYR 60 -0.063 -11.766 3.174 425 HD2 TYR 60 HD2 TYR 60 -1.123 -7.719 2.403 426 HE1 TYR 60 HE1 TYR 60 0.380 -12.112 0.780 427 HE2 TYR 60 HE2 TYR 60 -0.685 -8.054 0.007 428 HH TYR 60 HH TYR 60 0.937 -10.788 -1.200 429 H ALA 61 HN ALA 61 -2.605 -7.184 5.011 430 HA ALA 61 HA ALA 61 -2.597 -6.774 7.928 431 1HB ALA 61 HB1 ALA 61 -4.231 -5.289 5.876 432 2HB ALA 61 HB2 ALA 61 -2.704 -4.717 6.550 433 3HB ALA 61 HB3 ALA 61 -4.106 -4.930 7.598 434 H SER 62 HN SER 62 -4.816 -6.805 8.927 435 HA SER 62 HA SER 62 -6.040 -9.303 8.381 436 1HB SER 62 HB2 SER 62 -7.822 -8.138 10.040 437 2HB SER 62 HB1 SER 62 -6.313 -8.856 10.604 438 HG SER 62 HG SER 62 -6.712 -6.120 9.955 439 H SER 63 HN SER 63 -8.185 -9.722 7.740 440 HA SER 63 HA SER 63 -10.178 -9.379 6.651 441 1HB SER 63 HB2 SER 63 -9.756 -6.848 7.541 442 2HB SER 63 HB1 SER 63 -9.648 -6.595 5.799 443 HG SER 63 HG SER 63 -11.704 -7.263 5.558 444 H VAL 64 HN VAL 64 -7.059 -8.915 5.511 445 HA VAL 64 HA VAL 64 -7.838 -9.771 2.855 446 HB VAL 64 HB VAL 64 -6.498 -8.058 1.707 447 1HG1 VAL 64 HG11 VAL 64 -8.914 -7.759 1.931 448 2HG1 VAL 64 HG12 VAL 64 -8.074 -6.208 1.945 449 3HG1 VAL 64 HG13 VAL 64 -8.671 -6.901 3.452 450 1HG2 VAL 64 HG21 VAL 64 -6.258 -5.942 3.406 451 2HG2 VAL 64 HG22 VAL 64 -4.951 -7.050 2.987 452 3HG2 VAL 64 HG23 VAL 64 -5.874 -7.296 4.470 453 H ARG 65 HN ARG 65 -6.135 -10.498 5.370 454 HA ARG 65 HA ARG 65 -3.474 -10.680 4.463 455 1HB ARG 65 HB2 ARG 65 -4.607 -10.853 6.872 456 2HB ARG 65 HB1 ARG 65 -4.523 -12.567 6.501 457 1HG ARG 65 HG2 ARG 65 -2.106 -12.344 6.125 458 2HG ARG 65 HG1 ARG 65 -2.219 -10.639 6.561 459 1HD ARG 65 HD2 ARG 65 -2.092 -11.137 8.723 460 2HD ARG 65 HD1 ARG 65 -3.467 -12.232 8.588 461 HE ARG 65 HE ARG 65 -0.995 -13.359 7.650 462 1HH1 ARG 65 HH11 ARG 65 -3.013 -12.815 10.445 463 2HH1 ARG 65 HH12 ARG 65 -2.346 -14.139 11.340 464 1HH2 ARG 65 HH21 ARG 65 -0.116 -15.101 8.826 465 2HH2 ARG 65 HH22 ARG 65 -0.700 -15.436 10.422 466 H GLY 66 HN GLY 66 -3.861 -11.523 2.385 467 1HA GLY 66 HA2 GLY 66 -3.026 -13.733 1.489 468 2HA GLY 66 HA1 GLY 66 -4.412 -14.413 2.328 469 H ARG 67 HN ARG 67 -5.302 -11.429 1.215 470 HA ARG 67 HA ARG 67 -6.475 -12.612 -1.219 471 1HB ARG 67 HB2 ARG 67 -7.573 -10.214 0.232 472 2HB ARG 67 HB1 ARG 67 -8.385 -11.251 -0.933 473 1HG ARG 67 HG2 ARG 67 -8.098 -13.112 0.796 474 2HG ARG 67 HG1 ARG 67 -7.723 -11.817 1.934 475 1HD ARG 67 HD2 ARG 67 -10.046 -11.033 0.543 476 2HD ARG 67 HD1 ARG 67 -10.272 -12.721 0.996 477 HE ARG 67 HE ARG 67 -9.293 -11.104 3.149 478 1HH1 ARG 67 HH11 ARG 67 -12.162 -12.111 1.436 479 2HH1 ARG 67 HH12 ARG 67 -13.215 -11.826 2.781 480 1HH2 ARG 67 HH21 ARG 67 -10.676 -10.730 4.918 481 2HH2 ARG 67 HH22 ARG 67 -12.372 -11.042 4.758 482 H PHE 68 HN PHE 68 -5.104 -9.639 0.141 483 HA PHE 68 HA PHE 68 -5.021 -8.316 -2.412 484 1HB PHE 68 HB2 PHE 68 -4.015 -7.648 0.343 485 2HB PHE 68 HB1 PHE 68 -3.555 -6.671 -1.046 486 HD1 PHE 68 HD1 PHE 68 -6.849 -8.140 -1.185 487 HD2 PHE 68 HD2 PHE 68 -4.621 -4.780 0.182 488 HE1 PHE 68 HE1 PHE 68 -8.933 -6.850 -0.968 489 HE2 PHE 68 HE2 PHE 68 -6.701 -3.486 0.401 490 HZ PHE 68 HZ PHE 68 -8.863 -4.518 -0.174 491 H THR 69 HN THR 69 -3.284 -8.030 -3.757 492 HA THR 69 HA THR 69 -0.938 -9.716 -3.191 493 HB THR 69 HB THR 69 -1.876 -8.631 -5.855 494 HG1 THR 69 HG1 THR 69 -2.137 -11.262 -4.840 495 1HG2 THR 69 HG21 THR 69 -0.454 -10.828 -6.445 496 2HG2 THR 69 HG22 THR 69 0.436 -10.248 -5.037 497 3HG2 THR 69 HG23 THR 69 0.215 -9.196 -6.435 498 H ILE 70 HN ILE 70 1.133 -8.984 -3.637 499 HA ILE 70 HA ILE 70 1.542 -6.132 -4.114 500 HB ILE 70 HB ILE 70 1.290 -6.403 -1.697 501 1HG1 ILE 70 HG12 ILE 70 2.792 -4.667 -2.650 502 2HG1 ILE 70 HG11 ILE 70 3.252 -5.177 -1.030 503 1HG2 ILE 70 HG21 ILE 70 2.079 -8.723 -1.569 504 2HG2 ILE 70 HG22 ILE 70 2.867 -7.675 -0.384 505 3HG2 ILE 70 HG23 ILE 70 3.729 -8.158 -1.846 506 1HD1 ILE 70 HD11 ILE 70 5.297 -5.333 -1.886 507 2HD1 ILE 70 HD12 ILE 70 4.697 -5.363 -3.544 508 3HD1 ILE 70 HD13 ILE 70 4.727 -6.846 -2.592 509 H SER 71 HN SER 71 3.384 -5.707 -5.214 510 HA SER 71 HA SER 71 5.630 -7.489 -5.210 511 1HB SER 71 HB2 SER 71 5.525 -8.352 -7.393 512 2HB SER 71 HB1 SER 71 3.875 -8.533 -6.796 513 HG SER 71 HG SER 71 4.413 -7.460 -8.988 514 H ARG 72 HN ARG 72 7.471 -6.522 -5.959 515 HA ARG 72 HA ARG 72 7.407 -3.683 -6.269 516 1HB ARG 72 HB2 ARG 72 9.798 -5.420 -6.835 517 2HB ARG 72 HB1 ARG 72 9.765 -3.769 -6.231 518 1HG ARG 72 HG2 ARG 72 8.752 -4.626 -4.127 519 2HG ARG 72 HG1 ARG 72 8.987 -6.264 -4.739 520 1HD ARG 72 HD2 ARG 72 11.174 -4.231 -4.313 521 2HD ARG 72 HD1 ARG 72 10.786 -5.553 -3.214 522 HE ARG 72 HE ARG 72 11.701 -7.068 -4.728 523 1HH1 ARG 72 HH11 ARG 72 11.776 -3.820 -6.017 524 2HH1 ARG 72 HH12 ARG 72 12.895 -4.216 -7.276 525 1HH2 ARG 72 HH21 ARG 72 13.168 -7.583 -6.385 526 2HH2 ARG 72 HH22 ARG 72 13.685 -6.349 -7.485 527 H ASP 73 HN ASP 73 8.588 -2.580 -8.077 528 HA ASP 73 HA ASP 73 7.646 -3.679 -10.621 529 1HB ASP 73 HB2 ASP 73 6.974 -1.371 -9.978 530 2HB ASP 73 HB1 ASP 73 8.670 -0.902 -10.010 531 H ASN 74 HN ASN 74 10.559 -2.666 -8.964 532 HA ASN 74 HA ASN 74 12.767 -2.924 -9.437 533 1HB ASN 74 HB2 ASN 74 11.707 -5.300 -9.973 534 2HB ASN 74 HB1 ASN 74 12.190 -4.882 -11.614 535 1HD2 ASN 74 HD21 ASN 74 13.379 -6.999 -10.777 536 2HD2 ASN 74 HD22 ASN 74 15.001 -6.713 -10.257 537 H ALA 75 HN ALA 75 12.004 -0.702 -10.486 538 HA ALA 75 HA ALA 75 13.495 -0.505 -12.952 539 1HB ALA 75 HB1 ALA 75 11.849 0.002 -14.414 540 2HB ALA 75 HB2 ALA 75 10.850 0.782 -13.187 541 3HB ALA 75 HB3 ALA 75 10.875 -0.976 -13.316 542 H LYS 76 HN LYS 76 11.352 1.178 -10.674 543 HA LYS 76 HA LYS 76 13.323 3.335 -10.513 544 1HB LYS 76 HB2 LYS 76 11.452 5.010 -10.530 545 2HB LYS 76 HB1 LYS 76 11.750 4.224 -12.075 546 1HG LYS 76 HG2 LYS 76 9.853 2.616 -10.853 547 2HG LYS 76 HG1 LYS 76 9.362 4.261 -10.445 548 1HD LYS 76 HD2 LYS 76 10.114 3.542 -13.255 549 2HD LYS 76 HD1 LYS 76 8.496 3.196 -12.641 550 1HE LYS 76 HE2 LYS 76 8.433 5.646 -11.928 551 2HE LYS 76 HE1 LYS 76 9.851 5.859 -12.955 552 1HZ LYS 76 HZ1 LYS 76 7.570 4.500 -14.150 553 2HZ LYS 76 HZ2 LYS 76 8.641 5.619 -14.829 554 3HZ LYS 76 HZ3 LYS 76 7.379 6.152 -13.838 555 H LYS 77 HN LYS 77 12.548 1.106 -8.764 556 HA LYS 77 HA LYS 77 12.222 0.704 -6.549 557 1HB LYS 77 HB2 LYS 77 12.367 3.666 -6.050 558 2HB LYS 77 HB1 LYS 77 12.867 2.353 -4.995 559 1HG LYS 77 HG2 LYS 77 14.250 3.447 -7.417 560 2HG LYS 77 HG1 LYS 77 14.860 3.282 -5.770 561 1HD LYS 77 HD2 LYS 77 14.329 1.064 -7.746 562 2HD LYS 77 HD1 LYS 77 15.899 1.614 -7.161 563 1HE LYS 77 HE2 LYS 77 15.775 0.239 -5.422 564 2HE LYS 77 HE1 LYS 77 14.238 0.946 -4.930 565 1HZ LYS 77 HZ1 LYS 77 13.288 -0.962 -5.477 566 2HZ LYS 77 HZ2 LYS 77 14.734 -1.576 -6.103 567 3HZ LYS 77 HZ3 LYS 77 13.693 -0.690 -7.098 568 H THR 78 HN THR 78 9.960 0.536 -7.827 569 HA THR 78 HA THR 78 8.017 2.025 -6.184 570 HB THR 78 HB THR 78 7.926 1.294 -9.102 571 HG1 THR 78 HG1 THR 78 8.715 3.360 -8.439 572 1HG2 THR 78 HG21 THR 78 5.782 0.574 -8.330 573 2HG2 THR 78 HG22 THR 78 5.596 2.130 -9.141 574 3HG2 THR 78 HG23 THR 78 5.578 2.047 -7.380 575 H VAL 79 HN VAL 79 5.989 0.920 -5.791 576 HA VAL 79 HA VAL 79 6.205 -2.013 -5.917 577 HB VAL 79 HB VAL 79 5.090 -2.154 -3.735 578 1HG1 VAL 79 HG11 VAL 79 7.433 -0.504 -3.071 579 2HG1 VAL 79 HG12 VAL 79 7.721 -1.801 -4.231 580 3HG1 VAL 79 HG13 VAL 79 7.059 -2.173 -2.640 581 1HG2 VAL 79 HG21 VAL 79 4.346 -0.391 -2.555 582 2HG2 VAL 79 HG22 VAL 79 4.392 0.438 -4.111 583 3HG2 VAL 79 HG23 VAL 79 5.735 0.608 -2.982 584 H TYR 80 HN TYR 80 4.330 -3.137 -6.308 585 HA TYR 80 HA TYR 80 1.933 -1.523 -6.877 586 1HB TYR 80 HB2 TYR 80 2.871 -3.934 -8.433 587 2HB TYR 80 HB1 TYR 80 1.466 -2.943 -8.790 588 HD1 TYR 80 HD1 TYR 80 4.033 -3.702 -10.452 589 HD2 TYR 80 HD2 TYR 80 2.786 -0.245 -8.321 590 HE1 TYR 80 HE1 TYR 80 5.398 -2.300 -11.937 591 HE2 TYR 80 HE2 TYR 80 4.147 1.161 -9.803 592 HH TYR 80 HH TYR 80 6.368 0.645 -11.297 593 H LEU 81 HN LEU 81 0.031 -2.285 -6.065 594 HA LEU 81 HA LEU 81 0.060 -4.988 -4.925 595 1HB LEU 81 HB2 LEU 81 -0.531 -4.311 -2.872 596 2HB LEU 81 HB1 LEU 81 0.140 -2.775 -3.375 597 HG LEU 81 HG LEU 81 -2.786 -3.371 -3.731 598 1HD1 LEU 81 HD11 LEU 81 -1.913 -1.834 -1.367 599 2HD1 LEU 81 HD12 LEU 81 -1.711 -3.584 -1.295 600 3HD1 LEU 81 HD13 LEU 81 -3.307 -2.892 -1.586 601 1HD2 LEU 81 HD21 LEU 81 -2.604 -0.762 -3.205 602 2HD2 LEU 81 HD22 LEU 81 -2.435 -1.419 -4.832 603 3HD2 LEU 81 HD23 LEU 81 -0.999 -1.018 -3.889 604 H GLN 82 HN GLN 82 -1.437 -6.237 -5.744 605 HA GLN 82 HA GLN 82 -3.705 -5.048 -7.144 606 1HB GLN 82 HB2 GLN 82 -1.985 -6.900 -7.985 607 2HB GLN 82 HB1 GLN 82 -3.157 -7.953 -7.216 608 1HG GLN 82 HG2 GLN 82 -4.930 -6.966 -8.607 609 2HG GLN 82 HG1 GLN 82 -3.714 -5.977 -9.413 610 1HE2 GLN 82 HE21 GLN 82 -5.114 -9.108 -9.108 611 2HE2 GLN 82 HE22 GLN 82 -4.264 -9.854 -10.414 612 H MET 83 HN MET 83 -5.299 -4.668 -5.673 613 HA MET 83 HA MET 83 -5.896 -6.625 -3.625 614 1HB MET 83 HB2 MET 83 -7.473 -4.130 -4.189 615 2HB MET 83 HB1 MET 83 -7.300 -4.996 -2.670 616 1HG MET 83 HG2 MET 83 -5.501 -3.856 -2.109 617 2HG MET 83 HG1 MET 83 -4.756 -4.085 -3.682 618 1HE MET 83 HE1 MET 83 -6.803 -2.910 -5.617 619 2HE MET 83 HE2 MET 83 -5.137 -2.356 -5.774 620 3HE MET 83 HE3 MET 83 -6.456 -1.186 -5.734 621 H ASN 84 HN ASN 84 -6.778 -8.409 -4.633 622 HA ASN 84 HA ASN 84 -8.964 -8.079 -6.495 623 1HB ASN 84 HB2 ASN 84 -8.488 -10.807 -5.594 624 2HB ASN 84 HB1 ASN 84 -8.450 -10.131 -7.210 625 1HD2 ASN 84 HD21 ASN 84 -6.609 -10.556 -8.166 626 2HD2 ASN 84 HD22 ASN 84 -5.046 -10.515 -7.432 627 H SER 85 HN SER 85 -10.819 -9.746 -6.135 628 HA SER 85 HA SER 85 -12.850 -9.823 -5.027 629 1HB SER 85 HB2 SER 85 -11.176 -11.776 -4.309 630 2HB SER 85 HB1 SER 85 -11.417 -11.042 -2.724 631 HG SER 85 HG SER 85 -13.721 -11.237 -3.180 632 H LEU 86 HN LEU 86 -12.021 -7.276 -4.658 633 HA LEU 86 HA LEU 86 -11.582 -6.364 -2.083 634 1HB LEU 86 HB2 LEU 86 -12.204 -5.230 -4.594 635 2HB LEU 86 HB1 LEU 86 -13.352 -4.562 -3.449 636 HG LEU 86 HG LEU 86 -11.067 -4.249 -2.044 637 1HD1 LEU 86 HD11 LEU 86 -10.204 -4.880 -4.681 638 2HD1 LEU 86 HD12 LEU 86 -9.237 -4.445 -3.273 639 3HD1 LEU 86 HD13 LEU 86 -9.831 -3.187 -4.356 640 1HD2 LEU 86 HD21 LEU 86 -11.109 -1.938 -3.498 641 2HD2 LEU 86 HD22 LEU 86 -12.154 -2.294 -2.123 642 3HD2 LEU 86 HD23 LEU 86 -12.733 -2.571 -3.765 643 H LYS 87 HN LYS 87 -13.120 -5.140 -0.704 644 HA LYS 87 HA LYS 87 -15.787 -6.385 -0.663 645 1HB LYS 87 HB2 LYS 87 -15.443 -6.069 1.957 646 2HB LYS 87 HB1 LYS 87 -14.953 -7.534 1.123 647 1HG LYS 87 HG2 LYS 87 -12.851 -5.540 1.127 648 2HG LYS 87 HG1 LYS 87 -13.387 -5.946 2.756 649 1HD LYS 87 HD2 LYS 87 -11.980 -7.682 2.581 650 2HD LYS 87 HD1 LYS 87 -13.237 -8.408 1.577 651 1HE LYS 87 HE2 LYS 87 -12.170 -7.589 -0.424 652 2HE LYS 87 HE1 LYS 87 -10.978 -6.708 0.529 653 1HZ LYS 87 HZ1 LYS 87 -11.039 -9.481 -0.215 654 2HZ LYS 87 HZ2 LYS 87 -10.737 -9.250 1.433 655 3HZ LYS 87 HZ3 LYS 87 -9.735 -8.524 0.280 656 HA PRO 88 HA PRO 88 -17.432 -2.356 -0.049 657 1HB PRO 88 HB2 PRO 88 -19.457 -2.719 1.700 658 2HB PRO 88 HB1 PRO 88 -19.513 -3.336 0.044 659 1HG PRO 88 HG2 PRO 88 -18.833 -4.779 2.580 660 2HG PRO 88 HG1 PRO 88 -19.866 -5.305 1.238 661 1HD PRO 88 HD2 PRO 88 -17.300 -6.134 1.526 662 2HD PRO 88 HD1 PRO 88 -18.072 -5.940 -0.059 663 H GLU 89 HN GLU 89 -15.577 -3.681 2.280 664 HA GLU 89 HA GLU 89 -15.980 -1.448 4.149 665 1HB GLU 89 HB2 GLU 89 -14.880 -4.221 4.571 666 2HB GLU 89 HB1 GLU 89 -14.641 -2.930 5.740 667 1HG GLU 89 HG2 GLU 89 -17.368 -3.735 4.787 668 2HG GLU 89 HG1 GLU 89 -16.569 -4.528 6.144 669 H ASP 90 HN ASP 90 -14.070 -2.310 1.628 670 HA ASP 90 HA ASP 90 -11.521 -1.526 2.749 671 1HB ASP 90 HB2 ASP 90 -12.465 -2.525 0.099 672 2HB ASP 90 HB1 ASP 90 -10.959 -1.622 0.157 673 H THR 91 HN THR 91 -14.224 0.085 1.504 674 HA THR 91 HA THR 91 -13.162 2.178 0.037 675 HB THR 91 HB THR 91 -15.494 2.157 1.949 676 HG1 THR 91 HG1 THR 91 -15.662 0.627 0.289 677 1HG2 THR 91 HG21 THR 91 -14.581 4.438 1.031 678 2HG2 THR 91 HG22 THR 91 -16.311 4.096 1.063 679 3HG2 THR 91 HG23 THR 91 -15.405 3.921 -0.440 680 H ALA 92 HN ALA 92 -11.376 3.248 0.712 681 HA ALA 92 HA ALA 92 -11.591 5.109 2.846 682 1HB ALA 92 HB1 ALA 92 -10.281 2.520 3.409 683 2HB ALA 92 HB2 ALA 92 -11.119 3.631 4.492 684 3HB ALA 92 HB3 ALA 92 -9.462 3.970 3.991 685 H VAL 93 HN VAL 93 -9.299 6.071 3.345 686 HA VAL 93 HA VAL 93 -8.176 6.797 0.801 687 HB VAL 93 HB VAL 93 -8.615 8.377 2.723 688 1HG1 VAL 93 HG11 VAL 93 -7.367 8.421 4.617 689 2HG1 VAL 93 HG12 VAL 93 -5.953 7.713 3.838 690 3HG1 VAL 93 HG13 VAL 93 -7.314 6.689 4.295 691 1HG2 VAL 93 HG21 VAL 93 -6.154 9.400 2.356 692 2HG2 VAL 93 HG22 VAL 93 -7.436 9.486 1.148 693 3HG2 VAL 93 HG23 VAL 93 -6.202 8.231 1.036 694 H TYR 94 HN TYR 94 -6.832 5.348 -0.122 695 HA TYR 94 HA TYR 94 -5.065 3.727 1.473 696 1HB TYR 94 HB2 TYR 94 -5.937 3.851 -1.362 697 2HB TYR 94 HB1 TYR 94 -4.360 3.160 -1.045 698 HD1 TYR 94 HD1 TYR 94 -7.929 2.672 -0.863 699 HD2 TYR 94 HD2 TYR 94 -4.177 1.133 0.421 700 HE1 TYR 94 HE1 TYR 94 -9.009 0.540 -0.286 701 HE2 TYR 94 HE2 TYR 94 -5.246 -1.005 1.001 702 HH TYR 94 HH TYR 94 -8.532 -1.721 0.122 703 H THR 95 HN THR 95 -3.346 4.774 2.293 704 HA THR 95 HA THR 95 -1.829 6.553 0.503 705 HB THR 95 HB THR 95 -1.753 6.467 3.523 706 HG1 THR 95 HG1 THR 95 -3.045 8.360 1.858 707 1HG2 THR 95 HG21 THR 95 -0.730 8.553 1.613 708 2HG2 THR 95 HG22 THR 95 0.262 7.423 2.534 709 3HG2 THR 95 HG23 THR 95 -0.699 8.641 3.374 710 H CYS 96 HN CYS 96 0.134 5.962 -0.125 711 HA CYS 96 HA CYS 96 1.247 3.472 0.813 712 1HB CYS 96 HB2 CYS 96 1.306 4.111 -1.583 713 2HB CYS 96 HB1 CYS 96 2.366 5.457 -1.179 714 H GLY 97 HN GLY 97 2.761 3.234 2.333 715 1HA GLY 97 HA2 GLY 97 4.331 5.613 3.104 716 2HA GLY 97 HA1 GLY 97 3.609 4.556 4.307 717 H ALA 98 HN ALA 98 6.074 4.761 4.816 718 HA ALA 98 HA ALA 98 7.266 2.261 3.907 719 1HB ALA 98 HB1 ALA 98 9.258 4.389 4.018 720 2HB ALA 98 HB2 ALA 98 8.069 4.606 2.735 721 3HB ALA 98 HB3 ALA 98 9.017 3.122 2.816 722 H GLY 99 HN GLY 99 8.735 1.348 5.356 723 1HA GLY 99 HA2 GLY 99 8.370 2.173 8.090 724 2HA GLY 99 HA1 GLY 99 9.286 0.781 7.532 725 H GLU 100 HN GLU 100 10.672 1.636 9.364 726 HA GLU 100 HA GLU 100 12.980 2.843 8.274 727 1HB GLU 100 HB2 GLU 100 11.037 4.580 9.665 728 2HB GLU 100 HB1 GLU 100 12.717 4.777 10.143 729 1HG GLU 100 HG2 GLU 100 12.604 4.678 7.307 730 2HG GLU 100 HG1 GLU 100 11.389 5.822 7.875 731 H GLY 101 HN GLY 101 14.199 1.277 9.203 732 1HA GLY 101 HA2 GLY 101 15.351 0.152 10.817 733 2HA GLY 101 HA1 GLY 101 15.039 1.535 11.854 734 H GLY 102 HN GLY 102 12.279 -0.065 10.579 735 1HA GLY 102 HA2 GLY 102 11.287 -2.063 11.628 736 2HA GLY 102 HA1 GLY 102 11.914 -1.464 13.156 737 H THR 103 HN THR 103 11.116 1.335 12.174 738 HA THR 103 HA THR 103 8.369 1.168 13.155 739 HB THR 103 HB THR 103 10.011 3.642 12.700 740 HG1 THR 103 HG1 THR 103 10.848 3.415 14.721 741 1HG2 THR 103 HG21 THR 103 7.500 3.052 14.108 742 2HG2 THR 103 HG22 THR 103 8.057 4.543 13.347 743 3HG2 THR 103 HG23 THR 103 8.632 4.105 14.956 744 H TRP 104 HN TRP 104 7.043 3.175 12.169 745 HA TRP 104 HA TRP 104 7.445 3.381 9.293 746 1HB TRP 104 HB2 TRP 104 4.921 2.278 10.540 747 2HB TRP 104 HB1 TRP 104 5.063 2.774 8.856 748 HD1 TRP 104 HD1 TRP 104 6.483 0.135 11.290 749 HE1 TRP 104 HE1 TRP 104 7.222 -1.910 9.911 750 HE3 TRP 104 HE3 TRP 104 5.679 1.987 6.592 751 HZ2 TRP 104 HZ2 TRP 104 7.436 -2.640 7.192 752 HZ3 TRP 104 HZ3 TRP 104 6.178 0.553 4.656 753 HH2 TRP 104 HH2 TRP 104 7.040 -1.713 4.952 754 H ASP 105 HN ASP 105 7.653 5.539 9.223 755 HA ASP 105 HA ASP 105 5.371 7.130 10.137 756 1HB ASP 105 HB2 ASP 105 7.156 7.337 11.802 757 2HB ASP 105 HB1 ASP 105 8.247 7.888 10.542 758 H SER 106 HN SER 106 6.657 6.099 7.505 759 HA SER 106 HA SER 106 6.892 8.700 6.156 760 1HB SER 106 HB2 SER 106 8.323 6.218 5.893 761 2HB SER 106 HB1 SER 106 7.553 6.617 4.360 762 HG SER 106 HG SER 106 9.484 8.049 5.811 763 H TRP 107 HN TRP 107 5.421 9.321 4.678 764 HA TRP 107 HA TRP 107 3.503 7.339 3.676 765 1HB TRP 107 HB2 TRP 107 2.602 10.067 4.579 766 2HB TRP 107 HB1 TRP 107 1.614 8.665 4.198 767 HD1 TRP 107 HD1 TRP 107 3.873 10.055 6.962 768 HE1 TRP 107 HE1 TRP 107 3.329 8.826 9.158 769 HE3 TRP 107 HE3 TRP 107 0.657 6.532 5.137 770 HZ2 TRP 107 HZ2 TRP 107 1.742 6.648 10.002 771 HZ3 TRP 107 HZ3 TRP 107 -0.333 4.912 6.702 772 HH2 TRP 107 HH2 TRP 107 0.200 4.969 9.084 773 H GLY 108 HN GLY 108 2.265 8.124 1.794 774 1HA GLY 108 HA2 GLY 108 3.979 9.851 0.136 775 2HA GLY 108 HA1 GLY 108 2.869 8.634 -0.476 776 H GLN 109 HN GLN 109 1.534 9.796 -1.746 777 HA GLN 109 HA GLN 109 0.498 12.351 -0.843 778 1HB GLN 109 HB2 GLN 109 1.193 11.862 -3.231 779 2HB GLN 109 HB1 GLN 109 -0.250 10.865 -3.356 780 1HG GLN 109 HG2 GLN 109 -1.676 12.676 -3.232 781 2HG GLN 109 HG1 GLN 109 -0.469 13.701 -2.456 782 1HE2 GLN 109 HE21 GLN 109 -1.017 11.940 -5.485 783 2HE2 GLN 109 HE22 GLN 109 -0.343 13.153 -6.514 784 H GLY 110 HN GLY 110 -0.842 9.195 -1.804 785 1HA GLY 110 HA2 GLY 110 -2.537 8.171 -0.397 786 2HA GLY 110 HA1 GLY 110 -3.157 9.782 -0.072 787 H THR 111 HN THR 111 -4.563 7.441 -1.070 788 HA THR 111 HA THR 111 -5.949 8.718 -3.242 789 HB THR 111 HB THR 111 -4.070 7.518 -4.388 790 HG1 THR 111 HG1 THR 111 -6.237 7.826 -5.311 791 1HG2 THR 111 HG21 THR 111 -3.610 5.356 -4.153 792 2HG2 THR 111 HG22 THR 111 -5.313 4.898 -4.141 793 3HG2 THR 111 HG23 THR 111 -4.540 5.460 -2.659 794 H GLN 112 HN GLN 112 -8.031 8.457 -2.719 795 HA GLN 112 HA GLN 112 -8.822 6.412 -0.880 796 1HB GLN 112 HB2 GLN 112 -9.710 8.946 -1.536 797 2HB GLN 112 HB1 GLN 112 -10.960 7.901 -2.174 798 1HG GLN 112 HG2 GLN 112 -10.116 7.178 0.519 799 2HG GLN 112 HG1 GLN 112 -10.768 8.811 0.404 800 1HE2 GLN 112 HE21 GLN 112 -11.731 6.093 -1.588 801 2HE2 GLN 112 HE22 GLN 112 -13.329 5.961 -0.975 802 H VAL 113 HN VAL 113 -10.132 4.674 -1.235 803 HA VAL 113 HA VAL 113 -10.618 3.956 -4.048 804 HB VAL 113 HB VAL 113 -9.931 2.240 -1.668 805 1HG1 VAL 113 HG11 VAL 113 -11.255 1.519 -4.227 806 2HG1 VAL 113 HG12 VAL 113 -11.423 0.802 -2.624 807 3HG1 VAL 113 HG13 VAL 113 -10.013 0.427 -3.615 808 1HG2 VAL 113 HG21 VAL 113 -8.004 1.590 -2.943 809 2HG2 VAL 113 HG22 VAL 113 -8.082 3.352 -2.899 810 3HG2 VAL 113 HG23 VAL 113 -8.580 2.482 -4.351 811 H THR 114 HN THR 114 -12.655 3.349 -4.610 812 HA THR 114 HA THR 114 -14.684 3.408 -2.490 813 HB THR 114 HB THR 114 -14.927 4.011 -5.442 814 HG1 THR 114 HG1 THR 114 -14.978 5.624 -3.119 815 1HG2 THR 114 HG21 THR 114 -17.157 4.945 -3.969 816 2HG2 THR 114 HG22 THR 114 -16.967 3.222 -3.646 817 3HG2 THR 114 HG23 THR 114 -17.119 3.797 -5.307 818 H VAL 115 HN VAL 115 -15.878 1.656 -2.097 819 HA VAL 115 HA VAL 115 -15.864 -0.523 -4.079 820 HB VAL 115 HB VAL 115 -16.111 -1.306 -1.233 821 1HG1 VAL 115 HG11 VAL 115 -15.316 -2.448 -3.789 822 2HG1 VAL 115 HG12 VAL 115 -15.945 -3.237 -2.343 823 3HG1 VAL 115 HG13 VAL 115 -14.224 -2.885 -2.476 824 1HG2 VAL 115 HG21 VAL 115 -14.297 0.393 -1.170 825 2HG2 VAL 115 HG22 VAL 115 -13.414 -0.558 -2.363 826 3HG2 VAL 115 HG23 VAL 115 -13.748 -1.234 -0.769 827 H SER 116 HN SER 116 -17.579 -2.218 -2.481 828 HA SER 116 HA SER 116 -19.772 -2.639 -2.091 829 1HB SER 116 HB2 SER 116 -20.088 -1.153 -0.378 830 2HB SER 116 HB1 SER 116 -19.527 0.225 -1.322 831 HG SER 116 HG SER 116 -21.498 0.496 -2.136 832 H SER 117 HN SER 117 -22.036 -2.101 -2.922 833 HA SER 117 HA SER 117 -21.923 -2.020 -5.761 834 1HB SER 117 HB2 SER 117 -24.305 -1.914 -3.895 835 2HB SER 117 HB1 SER 117 -24.395 -2.169 -5.638 836 HG SER 117 HG SER 117 -23.714 -4.164 -5.393 Start of MODEL 6 1 1H GLN 1 HT1 GLN 1 12.436 15.437 3.501 2 2H GLN 1 HT2 GLN 1 11.447 14.543 2.421 3 3H GLN 1 HT3 GLN 1 12.668 15.582 1.809 4 HA GLN 1 HA GLN 1 14.361 14.234 2.553 5 1HB GLN 1 HB2 GLN 1 13.515 13.765 4.755 6 2HB GLN 1 HB1 GLN 1 12.172 12.840 4.102 7 1HG GLN 1 HG2 GLN 1 13.914 11.252 3.164 8 2HG GLN 1 HG1 GLN 1 15.076 12.095 4.187 9 1HE2 GLN 1 HE21 GLN 1 11.736 10.975 4.623 10 2HE2 GLN 1 HE22 GLN 1 12.041 10.088 6.073 11 H VAL 2 HN VAL 2 11.693 11.905 2.450 12 HA VAL 2 HA VAL 2 12.621 11.088 -0.213 13 HB VAL 2 HB VAL 2 11.206 8.953 0.614 14 1HG1 VAL 2 HG11 VAL 2 13.831 9.519 0.043 15 2HG1 VAL 2 HG12 VAL 2 13.170 7.915 0.358 16 3HG1 VAL 2 HG13 VAL 2 13.920 8.831 1.665 17 1HG2 VAL 2 HG21 VAL 2 11.459 8.458 2.888 18 2HG2 VAL 2 HG22 VAL 2 10.896 10.129 2.855 19 3HG2 VAL 2 HG23 VAL 2 12.601 9.778 3.136 20 H GLN 3 HN GLN 3 11.046 10.446 -1.758 21 HA GLN 3 HA GLN 3 8.546 11.905 -1.480 22 1HB GLN 3 HB2 GLN 3 8.268 11.516 -3.867 23 2HB GLN 3 HB1 GLN 3 9.870 12.161 -3.536 24 1HG GLN 3 HG2 GLN 3 10.921 10.169 -4.027 25 2HG GLN 3 HG1 GLN 3 9.470 9.212 -3.737 26 1HE2 GLN 3 HE21 GLN 3 7.663 9.609 -5.285 27 2HE2 GLN 3 HE22 GLN 3 8.075 9.838 -6.947 28 H LEU 4 HN LEU 4 6.492 10.965 -1.995 29 HA LEU 4 HA LEU 4 6.205 8.113 -2.161 30 1HB LEU 4 HB2 LEU 4 5.567 9.576 0.386 31 2HB LEU 4 HB1 LEU 4 4.749 8.086 -0.044 32 HG LEU 4 HG LEU 4 7.323 7.307 -0.329 33 1HD1 LEU 4 HD11 LEU 4 8.808 8.403 0.954 34 2HD1 LEU 4 HD12 LEU 4 7.616 8.780 2.197 35 3HD1 LEU 4 HD13 LEU 4 7.705 9.761 0.735 36 1HD2 LEU 4 HD21 LEU 4 6.327 7.218 2.445 37 2HD2 LEU 4 HD22 LEU 4 6.847 5.912 1.379 38 3HD2 LEU 4 HD23 LEU 4 5.233 6.601 1.207 39 H GLN 5 HN GLN 5 4.884 8.334 -3.904 40 HA GLN 5 HA GLN 5 2.331 9.729 -3.446 41 1HB GLN 5 HB2 GLN 5 4.170 10.611 -5.211 42 2HB GLN 5 HB1 GLN 5 3.294 9.482 -6.235 43 1HG GLN 5 HG2 GLN 5 1.894 11.157 -6.627 44 2HG GLN 5 HG1 GLN 5 1.276 10.868 -5.002 45 1HE2 GLN 5 HE21 GLN 5 1.264 13.344 -6.413 46 2HE2 GLN 5 HE22 GLN 5 2.222 14.460 -5.506 47 H GLU 6 HN GLU 6 0.671 8.973 -5.183 48 HA GLU 6 HA GLU 6 0.906 6.057 -5.525 49 1HB GLU 6 HB2 GLU 6 -1.849 6.822 -5.255 50 2HB GLU 6 HB1 GLU 6 -0.920 5.681 -4.296 51 1HG GLU 6 HG2 GLU 6 -0.770 8.630 -3.788 52 2HG GLU 6 HG1 GLU 6 -2.056 7.637 -3.105 53 H SER 7 HN SER 7 -0.611 5.187 -7.178 54 HA SER 7 HA SER 7 -1.792 6.900 -9.106 55 1HB SER 7 HB2 SER 7 1.019 6.042 -9.528 56 2HB SER 7 HB1 SER 7 -0.060 5.918 -10.917 57 HG SER 7 HG SER 7 0.513 7.958 -11.094 58 H GLY 8 HN GLY 8 -3.222 5.788 -10.330 59 1HA GLY 8 HA2 GLY 8 -3.782 3.798 -11.616 60 2HA GLY 8 HA1 GLY 8 -2.958 2.848 -10.389 61 H GLY 9 HN GLY 9 -4.322 4.750 -8.359 62 1HA GLY 9 HA2 GLY 9 -6.328 3.053 -7.529 63 2HA GLY 9 HA1 GLY 9 -6.206 4.741 -7.067 64 H GLY 10 HN GLY 10 -8.632 4.233 -7.066 65 1HA GLY 10 HA2 GLY 10 -10.122 5.744 -8.588 66 2HA GLY 10 HA1 GLY 10 -9.797 4.466 -9.749 67 H LEU 11 HN LEU 11 -12.371 5.100 -9.012 68 HA LEU 11 HA LEU 11 -13.361 3.530 -6.910 69 1HB LEU 11 HB2 LEU 11 -14.843 4.532 -9.327 70 2HB LEU 11 HB1 LEU 11 -15.549 4.030 -7.800 71 HG LEU 11 HG LEU 11 -13.673 5.989 -7.140 72 1HD1 LEU 11 HD11 LEU 11 -13.780 7.704 -8.607 73 2HD1 LEU 11 HD12 LEU 11 -15.435 7.333 -9.090 74 3HD1 LEU 11 HD13 LEU 11 -14.092 6.406 -9.758 75 1HD2 LEU 11 HD21 LEU 11 -15.405 6.804 -5.967 76 2HD2 LEU 11 HD22 LEU 11 -16.250 5.360 -6.522 77 3HD2 LEU 11 HD23 LEU 11 -16.454 6.886 -7.381 78 H VAL 12 HN VAL 12 -14.447 1.549 -6.939 79 HA VAL 12 HA VAL 12 -14.821 0.040 -9.334 80 HB VAL 12 HB VAL 12 -12.410 -0.242 -9.131 81 1HG1 VAL 12 HG11 VAL 12 -12.557 0.013 -6.549 82 2HG1 VAL 12 HG12 VAL 12 -11.307 -1.012 -7.253 83 3HG1 VAL 12 HG13 VAL 12 -12.760 -1.739 -6.568 84 1HG2 VAL 12 HG21 VAL 12 -14.330 -2.420 -9.034 85 2HG2 VAL 12 HG22 VAL 12 -12.726 -2.911 -8.490 86 3HG2 VAL 12 HG23 VAL 12 -12.934 -2.189 -10.085 87 H GLN 13 HN GLN 13 -16.623 -1.061 -8.950 88 HA GLN 13 HA GLN 13 -17.852 -1.356 -6.494 89 1HB GLN 13 HB2 GLN 13 -19.451 -2.637 -7.614 90 2HB GLN 13 HB1 GLN 13 -18.801 -1.596 -8.863 91 1HG GLN 13 HG2 GLN 13 -17.406 -3.414 -9.676 92 2HG GLN 13 HG1 GLN 13 -18.021 -4.466 -8.401 93 1HE2 GLN 13 HE21 GLN 13 -19.062 -5.966 -9.574 94 2HE2 GLN 13 HE22 GLN 13 -20.384 -5.639 -10.636 95 H ALA 14 HN ALA 14 -18.255 -3.216 -5.194 96 HA ALA 14 HA ALA 14 -16.050 -4.554 -4.276 97 1HB ALA 14 HB1 ALA 14 -17.757 -4.693 -2.786 98 2HB ALA 14 HB2 ALA 14 -17.915 -6.289 -3.520 99 3HB ALA 14 HB3 ALA 14 -18.970 -4.973 -4.035 100 H GLY 15 HN GLY 15 -15.010 -6.444 -4.709 101 1HA GLY 15 HA2 GLY 15 -14.819 -8.618 -5.650 102 2HA GLY 15 HA1 GLY 15 -16.123 -8.223 -6.759 103 H GLY 16 HN GLY 16 -14.721 -5.555 -7.243 104 1HA GLY 16 HA2 GLY 16 -13.099 -6.530 -9.448 105 2HA GLY 16 HA1 GLY 16 -13.580 -4.864 -9.161 106 H SER 17 HN SER 17 -10.974 -6.773 -9.367 107 HA SER 17 HA SER 17 -9.455 -6.013 -7.098 108 1HB SER 17 HB2 SER 17 -7.512 -6.762 -8.578 109 2HB SER 17 HB1 SER 17 -8.749 -7.968 -8.234 110 HG SER 17 HG SER 17 -8.166 -6.632 -10.618 111 H LEU 18 HN LEU 18 -8.305 -4.231 -6.695 112 HA LEU 18 HA LEU 18 -8.090 -2.226 -8.833 113 1HB LEU 18 HB2 LEU 18 -9.450 -1.616 -6.843 114 2HB LEU 18 HB1 LEU 18 -8.021 -1.812 -5.845 115 HG LEU 18 HG LEU 18 -6.980 -0.048 -7.448 116 1HD1 LEU 18 HD11 LEU 18 -8.688 0.078 -9.097 117 2HD1 LEU 18 HD12 LEU 18 -8.718 1.593 -8.195 118 3HD1 LEU 18 HD13 LEU 18 -9.930 0.352 -7.876 119 1HD2 LEU 18 HD21 LEU 18 -7.327 0.339 -5.092 120 2HD2 LEU 18 HD22 LEU 18 -9.046 0.629 -5.360 121 3HD2 LEU 18 HD23 LEU 18 -7.851 1.758 -5.999 122 H ARG 19 HN ARG 19 -6.125 -1.496 -9.434 123 HA ARG 19 HA ARG 19 -3.804 -2.622 -8.024 124 1HB ARG 19 HB2 ARG 19 -3.876 -3.372 -10.286 125 2HB ARG 19 HB1 ARG 19 -4.189 -1.750 -10.882 126 1HG ARG 19 HG2 ARG 19 -1.725 -1.805 -9.407 127 2HG ARG 19 HG1 ARG 19 -1.723 -3.045 -10.662 128 1HD ARG 19 HD2 ARG 19 -2.257 -1.398 -12.346 129 2HD ARG 19 HD1 ARG 19 -2.416 -0.146 -11.116 130 HE ARG 19 HE ARG 19 0.118 -1.031 -10.777 131 1HH1 ARG 19 HH11 ARG 19 -1.669 0.094 -13.556 132 2HH1 ARG 19 HH12 ARG 19 -0.271 0.736 -14.351 133 1HH2 ARG 19 HH21 ARG 19 1.958 -0.186 -11.821 134 2HH2 ARG 19 HH22 ARG 19 1.788 0.577 -13.367 135 H LEU 20 HN LEU 20 -2.660 -1.289 -6.811 136 HA LEU 20 HA LEU 20 -2.632 1.576 -7.489 137 1HB LEU 20 HB2 LEU 20 -2.047 0.449 -4.764 138 2HB LEU 20 HB1 LEU 20 -2.431 2.104 -5.196 139 HG LEU 20 HG LEU 20 -4.321 -0.243 -5.134 140 1HD1 LEU 20 HD11 LEU 20 -4.389 0.442 -2.992 141 2HD1 LEU 20 HD12 LEU 20 -5.431 1.708 -3.641 142 3HD1 LEU 20 HD13 LEU 20 -3.719 2.029 -3.365 143 1HD2 LEU 20 HD21 LEU 20 -4.480 2.337 -6.540 144 2HD2 LEU 20 HD22 LEU 20 -5.898 1.895 -5.590 145 3HD2 LEU 20 HD23 LEU 20 -5.311 0.814 -6.855 146 H SER 21 HN SER 21 -0.715 2.579 -7.742 147 HA SER 21 HA SER 21 1.723 0.990 -7.273 148 1HB SER 21 HB2 SER 21 2.703 1.986 -9.268 149 2HB SER 21 HB1 SER 21 1.181 1.202 -9.685 150 HG SER 21 HG SER 21 1.855 3.674 -10.172 151 H CYS 22 HN CYS 22 2.783 1.856 -5.614 152 HA CYS 22 HA CYS 22 2.812 4.785 -5.335 153 1HB CYS 22 HB2 CYS 22 1.921 3.668 -3.376 154 2HB CYS 22 HB1 CYS 22 3.329 2.617 -3.290 155 H ALA 23 HN ALA 23 4.681 5.888 -5.445 156 HA ALA 23 HA ALA 23 7.131 4.324 -5.920 157 1HB ALA 23 HB1 ALA 23 6.177 6.943 -7.016 158 2HB ALA 23 HB2 ALA 23 6.736 5.510 -7.879 159 3HB ALA 23 HB3 ALA 23 7.892 6.529 -7.021 160 H ALA 24 HN ALA 24 9.116 5.080 -5.063 161 HA ALA 24 HA ALA 24 9.041 7.203 -3.077 162 1HB ALA 24 HB1 ALA 24 9.856 4.404 -2.304 163 2HB ALA 24 HB2 ALA 24 8.338 5.179 -1.851 164 3HB ALA 24 HB3 ALA 24 9.870 5.831 -1.268 165 H SER 25 HN SER 25 11.137 7.903 -2.402 166 HA SER 25 HA SER 25 13.083 7.768 -4.469 167 1HB SER 25 HB2 SER 25 12.989 9.808 -3.273 168 2HB SER 25 HB1 SER 25 13.073 8.991 -1.713 169 HG SER 25 HG SER 25 15.143 9.248 -1.845 170 H GLY 26 HN GLY 26 14.575 6.265 -4.793 171 1HA GLY 26 HA2 GLY 26 15.058 4.240 -2.778 172 2HA GLY 26 HA1 GLY 26 15.688 4.254 -4.418 173 H ARG 27 HN ARG 27 15.970 6.364 -1.554 174 HA ARG 27 HA ARG 27 18.895 6.198 -1.855 175 1HB ARG 27 HB2 ARG 27 17.840 8.404 -2.563 176 2HB ARG 27 HB1 ARG 27 17.437 8.646 -0.869 177 1HG ARG 27 HG2 ARG 27 19.455 9.829 -1.352 178 2HG ARG 27 HG1 ARG 27 19.849 8.450 -0.323 179 1HD ARG 27 HD2 ARG 27 20.692 7.213 -2.183 180 2HD ARG 27 HD1 ARG 27 20.091 8.414 -3.325 181 HE ARG 27 HE ARG 27 22.527 8.530 -1.809 182 1HH1 ARG 27 HH11 ARG 27 20.095 10.415 -3.454 183 2HH1 ARG 27 HH12 ARG 27 21.147 11.764 -3.726 184 1HH2 ARG 27 HH21 ARG 27 23.911 10.302 -2.166 185 2HH2 ARG 27 HH22 ARG 27 23.313 11.700 -2.995 186 H THR 28 HN THR 28 18.146 4.364 -0.289 187 HA THR 28 HA THR 28 18.222 5.431 2.458 188 HB THR 28 HB THR 28 16.948 3.565 3.209 189 HG1 THR 28 HG1 THR 28 17.131 2.497 0.589 190 1HG2 THR 28 HG21 THR 28 15.216 3.593 1.003 191 2HG2 THR 28 HG22 THR 28 15.917 5.206 1.120 192 3HG2 THR 28 HG23 THR 28 15.082 4.505 2.505 193 H GLY 29 HN GLY 29 18.765 2.922 3.704 194 1HA GLY 29 HA2 GLY 29 20.925 1.540 2.614 195 2HA GLY 29 HA1 GLY 29 21.562 2.880 3.546 196 H SER 30 HN SER 30 19.452 2.801 5.541 197 HA SER 30 HA SER 30 20.629 0.910 7.304 198 1HB SER 30 HB2 SER 30 19.777 2.946 8.238 199 2HB SER 30 HB1 SER 30 18.178 2.661 7.552 200 HG SER 30 HG SER 30 17.721 1.572 9.276 201 H THR 31 HN THR 31 17.153 1.181 6.637 202 HA THR 31 HA THR 31 16.821 -1.423 5.616 203 HB THR 31 HB THR 31 17.465 -2.094 7.892 204 HG1 THR 31 HG1 THR 31 15.897 -3.330 6.764 205 1HG2 THR 31 HG21 THR 31 16.078 -1.640 9.801 206 2HG2 THR 31 HG22 THR 31 14.997 -0.649 8.821 207 3HG2 THR 31 HG23 THR 31 16.654 -0.122 9.113 208 H TYR 32 HN TYR 32 15.887 1.098 4.945 209 HA TYR 32 HA TYR 32 13.260 1.593 5.879 210 1HB TYR 32 HB2 TYR 32 14.020 3.512 4.960 211 2HB TYR 32 HB1 TYR 32 15.106 2.675 3.871 212 HD1 TYR 32 HD1 TYR 32 14.006 1.555 1.791 213 HD2 TYR 32 HD2 TYR 32 12.154 4.606 4.104 214 HE1 TYR 32 HE1 TYR 32 12.549 2.102 -0.111 215 HE2 TYR 32 HE2 TYR 32 10.691 5.161 2.207 216 HH TYR 32 HH TYR 32 10.429 3.164 -0.561 217 H ASP 33 HN ASP 33 11.361 0.776 5.265 218 HA ASP 33 HA ASP 33 11.301 -0.978 2.896 219 1HB ASP 33 HB2 ASP 33 9.600 -1.304 5.373 220 2HB ASP 33 HB1 ASP 33 9.757 -2.429 4.028 221 H MET 34 HN MET 34 8.644 -1.436 2.641 222 HA MET 34 HA MET 34 7.331 1.179 2.604 223 1HB MET 34 HB2 MET 34 8.247 -0.328 0.268 224 2HB MET 34 HB1 MET 34 6.547 0.113 0.190 225 1HG MET 34 HG2 MET 34 7.776 2.430 1.041 226 2HG MET 34 HG1 MET 34 8.916 1.755 -0.120 227 1HE MET 34 HE1 MET 34 6.306 3.787 0.676 228 2HE MET 34 HE2 MET 34 4.878 3.321 -0.249 229 3HE MET 34 HE3 MET 34 5.967 4.561 -0.873 230 H GLY 35 HN GLY 35 4.987 1.033 2.196 231 1HA GLY 35 HA2 GLY 35 3.600 -1.403 2.096 232 2HA GLY 35 HA1 GLY 35 3.792 -0.961 3.784 233 H TRP 36 HN TRP 36 1.433 -1.140 1.896 234 HA TRP 36 HA TRP 36 0.469 1.561 1.723 235 1HB TRP 36 HB2 TRP 36 -0.775 -1.094 1.117 236 2HB TRP 36 HB1 TRP 36 -1.627 0.423 0.929 237 HD1 TRP 36 HD1 TRP 36 1.300 -1.558 -0.575 238 HE1 TRP 36 HE1 TRP 36 1.762 -0.654 -2.941 239 HE3 TRP 36 HE3 TRP 36 -1.897 2.432 -0.559 240 HZ2 TRP 36 HZ2 TRP 36 0.884 1.468 -4.583 241 HZ3 TRP 36 HZ3 TRP 36 -2.026 3.849 -2.566 242 HH2 TRP 36 HH2 TRP 36 -0.663 3.376 -4.536 243 H PHE 37 HN PHE 37 -1.437 2.325 2.727 244 HA PHE 37 HA PHE 37 -2.264 0.935 5.165 245 1HB PHE 37 HB2 PHE 37 -1.026 3.635 4.880 246 2HB PHE 37 HB1 PHE 37 -2.303 3.438 6.062 247 HD1 PHE 37 HD1 PHE 37 -1.703 2.872 8.205 248 HD2 PHE 37 HD2 PHE 37 0.850 1.767 4.984 249 HE1 PHE 37 HE1 PHE 37 -0.057 2.001 9.814 250 HE2 PHE 37 HE2 PHE 37 2.499 0.891 6.587 251 HZ PHE 37 HZ PHE 37 2.047 1.008 9.005 252 H ARG 38 HN ARG 38 -4.129 2.482 6.159 253 HA ARG 38 HA ARG 38 -5.781 3.639 4.080 254 1HB ARG 38 HB2 ARG 38 -7.401 1.869 5.703 255 2HB ARG 38 HB1 ARG 38 -7.389 2.097 3.970 256 1HG ARG 38 HG2 ARG 38 -6.109 0.291 3.604 257 2HG ARG 38 HG1 ARG 38 -5.119 0.566 5.035 258 1HD ARG 38 HD2 ARG 38 -6.641 -1.507 4.975 259 2HD ARG 38 HD1 ARG 38 -6.614 -0.523 6.437 260 HE ARG 38 HE ARG 38 -8.680 0.181 4.550 261 1HH1 ARG 38 HH11 ARG 38 -7.832 -1.790 7.304 262 2HH1 ARG 38 HH12 ARG 38 -9.473 -1.999 7.816 263 1HH2 ARG 38 HH21 ARG 38 -10.837 -0.091 5.225 264 2HH2 ARG 38 HH22 ARG 38 -11.178 -1.034 6.637 265 H GLN 39 HN GLN 39 -7.703 4.759 4.982 266 HA GLN 39 HA GLN 39 -7.854 5.153 7.817 267 1HB GLN 39 HB2 GLN 39 -5.863 6.582 6.792 268 2HB GLN 39 HB1 GLN 39 -7.179 7.673 6.381 269 1HG GLN 39 HG2 GLN 39 -7.348 8.404 8.466 270 2HG GLN 39 HG1 GLN 39 -7.367 6.767 9.117 271 1HE2 GLN 39 HE21 GLN 39 -6.142 7.946 10.827 272 2HE2 GLN 39 HE22 GLN 39 -4.424 8.030 10.660 273 H ALA 40 HN ALA 40 -9.790 5.945 8.422 274 HA ALA 40 HA ALA 40 -11.561 6.974 6.302 275 1HB ALA 40 HB1 ALA 40 -11.889 4.603 7.638 276 2HB ALA 40 HB2 ALA 40 -13.171 5.507 6.832 277 3HB ALA 40 HB3 ALA 40 -12.907 5.705 8.565 278 HA PRO 41 HA PRO 41 -12.448 10.477 8.803 279 1HB PRO 41 HB2 PRO 41 -15.172 10.684 8.785 280 2HB PRO 41 HB1 PRO 41 -14.156 11.107 7.403 281 1HG PRO 41 HG2 PRO 41 -15.701 8.598 7.922 282 2HG PRO 41 HG1 PRO 41 -15.522 9.511 6.413 283 1HD PRO 41 HD2 PRO 41 -14.117 7.256 6.912 284 2HD PRO 41 HD1 PRO 41 -13.451 8.597 5.957 285 H GLY 42 HN GLY 42 -12.513 10.929 10.892 286 1HA GLY 42 HA2 GLY 42 -12.908 10.708 13.145 287 2HA GLY 42 HA1 GLY 42 -14.360 9.804 12.729 288 H LYS 43 HN LYS 43 -11.730 8.425 11.191 289 HA LYS 43 HA LYS 43 -11.510 6.383 13.293 290 1HB LYS 43 HB2 LYS 43 -12.433 5.991 10.854 291 2HB LYS 43 HB1 LYS 43 -10.725 5.910 10.454 292 1HG LYS 43 HG2 LYS 43 -11.171 4.288 12.741 293 2HG LYS 43 HG1 LYS 43 -12.388 3.887 11.527 294 1HD LYS 43 HD2 LYS 43 -10.157 4.062 9.995 295 2HD LYS 43 HD1 LYS 43 -9.480 3.459 11.509 296 1HE LYS 43 HE2 LYS 43 -10.184 1.684 9.882 297 2HE LYS 43 HE1 LYS 43 -10.906 1.555 11.485 298 1HZ LYS 43 HZ1 LYS 43 -12.322 1.395 9.268 299 2HZ LYS 43 HZ2 LYS 43 -12.393 3.071 9.488 300 3HZ LYS 43 HZ3 LYS 43 -12.956 2.035 10.700 301 H GLU 44 HN GLU 44 -9.329 5.047 12.728 302 HA GLU 44 HA GLU 44 -7.172 7.035 12.841 303 1HB GLU 44 HB2 GLU 44 -7.109 4.214 13.915 304 2HB GLU 44 HB1 GLU 44 -5.923 5.482 14.192 305 1HG GLU 44 HG2 GLU 44 -8.770 5.477 15.169 306 2HG GLU 44 HG1 GLU 44 -7.334 5.150 16.139 307 H ARG 45 HN ARG 45 -4.978 5.508 12.434 308 HA ARG 45 HA ARG 45 -5.176 4.952 9.596 309 1HB ARG 45 HB2 ARG 45 -2.817 5.034 9.544 310 2HB ARG 45 HB1 ARG 45 -3.300 6.281 10.686 311 1HG ARG 45 HG2 ARG 45 -2.881 4.586 12.514 312 2HG ARG 45 HG1 ARG 45 -2.123 3.582 11.276 313 1HD ARG 45 HD2 ARG 45 -0.869 5.916 10.815 314 2HD ARG 45 HD1 ARG 45 -1.181 6.078 12.542 315 HE ARG 45 HE ARG 45 -0.019 3.554 11.784 316 1HH1 ARG 45 HH11 ARG 45 0.632 6.850 12.727 317 2HH1 ARG 45 HH12 ARG 45 2.222 6.499 13.315 318 1HH2 ARG 45 HH21 ARG 45 2.072 3.090 12.557 319 2HH2 ARG 45 HH22 ARG 45 3.041 4.365 13.217 320 H GLU 46 HN GLU 46 -5.077 3.003 8.640 321 HA GLU 46 HA GLU 46 -4.472 0.653 10.304 322 1HB GLU 46 HB2 GLU 46 -6.562 0.387 8.198 323 2HB GLU 46 HB1 GLU 46 -6.380 -0.487 9.711 324 1HG GLU 46 HG2 GLU 46 -6.929 2.233 10.319 325 2HG GLU 46 HG1 GLU 46 -8.089 1.686 9.112 326 H SER 47 HN SER 47 -2.771 -0.363 9.437 327 HA SER 47 HA SER 47 -1.843 0.149 6.832 328 1HB SER 47 HB2 SER 47 -0.110 -0.453 8.195 329 2HB SER 47 HB1 SER 47 -1.053 -1.649 9.064 330 HG SER 47 HG SER 47 0.300 -2.822 7.825 331 H VAL 48 HN VAL 48 -1.291 -1.649 5.359 332 HA VAL 48 HA VAL 48 -3.446 -3.639 5.142 333 HB VAL 48 HB VAL 48 -2.414 -2.324 2.674 334 1HG1 VAL 48 HG11 VAL 48 -5.212 -3.190 2.953 335 2HG1 VAL 48 HG12 VAL 48 -3.996 -4.466 3.025 336 3HG1 VAL 48 HG13 VAL 48 -4.082 -3.408 1.617 337 1HG2 VAL 48 HG21 VAL 48 -4.737 -1.030 2.969 338 2HG2 VAL 48 HG22 VAL 48 -3.193 -0.364 3.502 339 3HG2 VAL 48 HG23 VAL 48 -4.259 -1.157 4.662 340 H ALA 49 HN ALA 49 -0.587 -2.732 3.209 341 HA ALA 49 HA ALA 49 0.556 -5.366 3.766 342 1HB ALA 49 HB1 ALA 49 -0.762 -5.525 1.664 343 2HB ALA 49 HB2 ALA 49 0.957 -5.860 1.454 344 3HB ALA 49 HB3 ALA 49 0.295 -4.301 0.961 345 H ALA 50 HN ALA 50 2.797 -5.480 3.634 346 HA ALA 50 HA ALA 50 4.230 -3.043 2.871 347 1HB ALA 50 HB1 ALA 50 5.653 -3.536 5.024 348 2HB ALA 50 HB2 ALA 50 4.141 -4.251 5.586 349 3HB ALA 50 HB3 ALA 50 4.190 -2.555 5.103 350 H ILE 51 HN ILE 51 6.270 -3.371 2.079 351 HA ILE 51 HA ILE 51 7.218 -6.156 1.984 352 HB ILE 51 HB ILE 51 6.287 -5.503 -0.190 353 1HG1 ILE 51 HG12 ILE 51 9.177 -5.482 -0.807 354 2HG1 ILE 51 HG11 ILE 51 8.646 -6.771 0.269 355 1HG2 ILE 51 HG21 ILE 51 7.849 -3.095 0.310 356 2HG2 ILE 51 HG22 ILE 51 6.453 -3.346 -0.738 357 3HG2 ILE 51 HG23 ILE 51 8.071 -3.748 -1.313 358 1HD1 ILE 51 HD11 ILE 51 7.488 -6.191 -2.446 359 2HD1 ILE 51 HD12 ILE 51 7.045 -7.524 -1.379 360 3HD1 ILE 51 HD13 ILE 51 8.662 -7.454 -2.079 361 H ASN 52 HN ASN 52 9.436 -6.485 2.092 362 HA ASN 52 HA ASN 52 10.911 -4.373 3.383 363 1HB ASN 52 HB2 ASN 52 10.935 -7.043 3.683 364 2HB ASN 52 HB1 ASN 52 12.329 -6.844 2.635 365 1HD2 ASN 52 HD21 ASN 52 10.933 -6.099 5.734 366 2HD2 ASN 52 HD22 ASN 52 12.401 -5.606 6.501 367 H TRP 53 HN TRP 53 13.493 -4.817 2.591 368 HA TRP 53 HA TRP 53 13.494 -3.973 -0.228 369 1HB TRP 53 HB2 TRP 53 14.112 -2.411 1.928 370 2HB TRP 53 HB1 TRP 53 15.694 -3.019 1.469 371 HD1 TRP 53 HD1 TRP 53 13.684 -0.131 0.892 372 HE1 TRP 53 HE1 TRP 53 14.233 1.032 -1.336 373 HE3 TRP 53 HE3 TRP 53 16.276 -3.907 -1.380 374 HZ2 TRP 53 HZ2 TRP 53 15.583 0.429 -3.739 375 HZ3 TRP 53 HZ3 TRP 53 17.163 -3.533 -3.643 376 HH2 TRP 53 HH2 TRP 53 16.821 -1.410 -4.798 377 H ASP 54 HN ASP 54 13.756 -6.537 -0.100 378 HA ASP 54 HA ASP 54 16.330 -7.111 -1.052 379 1HB ASP 54 HB2 ASP 54 17.147 -8.610 0.737 380 2HB ASP 54 HB1 ASP 54 17.036 -6.936 1.270 381 H SER 55 HN SER 55 13.531 -7.576 -1.669 382 HA SER 55 HA SER 55 12.053 -9.222 -2.278 383 1HB SER 55 HB2 SER 55 14.749 -9.994 -3.290 384 2HB SER 55 HB1 SER 55 13.437 -11.157 -3.475 385 HG SER 55 HG SER 55 13.228 -8.452 -4.286 386 H ALA 56 HN ALA 56 12.879 -9.452 0.473 387 HA ALA 56 HA ALA 56 13.342 -12.243 1.016 388 1HB ALA 56 HB1 ALA 56 13.028 -11.546 3.395 389 2HB ALA 56 HB2 ALA 56 12.723 -9.908 2.817 390 3HB ALA 56 HB3 ALA 56 14.291 -10.665 2.536 391 H ARG 57 HN ARG 57 10.664 -9.999 1.746 392 HA ARG 57 HA ARG 57 8.631 -11.739 0.919 393 1HB ARG 57 HB2 ARG 57 9.709 -12.334 3.517 394 2HB ARG 57 HB1 ARG 57 8.042 -11.802 3.681 395 1HG ARG 57 HG2 ARG 57 7.404 -13.852 3.152 396 2HG ARG 57 HG1 ARG 57 8.035 -13.578 1.528 397 1HD ARG 57 HD2 ARG 57 10.259 -14.188 3.124 398 2HD ARG 57 HD1 ARG 57 9.001 -15.330 3.595 399 HE ARG 57 HE ARG 57 10.407 -15.231 1.091 400 1HH1 ARG 57 HH11 ARG 57 7.485 -16.270 2.690 401 2HH1 ARG 57 HH12 ARG 57 7.146 -17.514 1.535 402 1HH2 ARG 57 HH21 ARG 57 9.965 -16.868 -0.428 403 2HH2 ARG 57 HH22 ARG 57 8.551 -17.852 -0.238 404 H THR 58 HN THR 58 6.454 -11.083 2.104 405 HA THR 58 HA THR 58 6.498 -8.154 2.397 406 HB THR 58 HB THR 58 3.944 -9.311 1.577 407 HG1 THR 58 HG1 THR 58 4.591 -9.828 -0.505 408 1HG2 THR 58 HG21 THR 58 3.770 -7.172 1.023 409 2HG2 THR 58 HG22 THR 58 4.763 -7.571 -0.379 410 3HG2 THR 58 HG23 THR 58 5.516 -6.929 1.081 411 H TYR 59 HN TYR 59 4.154 -7.526 3.334 412 HA TYR 59 HA TYR 59 3.530 -9.251 5.617 413 1HB TYR 59 HB2 TYR 59 5.093 -7.692 6.537 414 2HB TYR 59 HB1 TYR 59 4.309 -6.336 5.740 415 HD1 TYR 59 HD1 TYR 59 4.104 -8.699 8.544 416 HD2 TYR 59 HD2 TYR 59 2.297 -5.352 6.638 417 HE1 TYR 59 HE1 TYR 59 2.722 -8.313 10.542 418 HE2 TYR 59 HE2 TYR 59 0.912 -4.956 8.630 419 HH TYR 59 HH TYR 59 0.056 -6.201 10.554 420 H TYR 60 HN TYR 60 1.498 -9.759 4.847 421 HA TYR 60 HA TYR 60 -0.281 -7.720 3.873 422 1HB TYR 60 HB2 TYR 60 -0.624 -10.662 4.442 423 2HB TYR 60 HB1 TYR 60 -1.927 -9.641 3.857 424 HD1 TYR 60 HD1 TYR 60 1.245 -11.251 2.999 425 HD2 TYR 60 HD2 TYR 60 -1.934 -8.808 1.575 426 HE1 TYR 60 HE1 TYR 60 2.002 -11.622 0.689 427 HE2 TYR 60 HE2 TYR 60 -1.187 -9.173 -0.738 428 HH TYR 60 HH TYR 60 1.810 -10.420 -1.527 429 H ALA 61 HN ALA 61 -2.390 -7.300 4.821 430 HA ALA 61 HA ALA 61 -2.220 -7.190 7.742 431 1HB ALA 61 HB1 ALA 61 -4.052 -5.519 7.541 432 2HB ALA 61 HB2 ALA 61 -3.957 -5.689 5.788 433 3HB ALA 61 HB3 ALA 61 -2.576 -5.063 6.689 434 H SER 62 HN SER 62 -4.120 -7.633 9.033 435 HA SER 62 HA SER 62 -5.358 -10.076 8.303 436 1HB SER 62 HB2 SER 62 -6.699 -9.686 10.429 437 2HB SER 62 HB1 SER 62 -4.947 -9.717 10.628 438 HG SER 62 HG SER 62 -6.712 -7.530 10.713 439 H SER 63 HN SER 63 -7.566 -10.506 7.982 440 HA SER 63 HA SER 63 -9.751 -10.082 7.387 441 1HB SER 63 HB2 SER 63 -9.175 -7.152 7.018 442 2HB SER 63 HB1 SER 63 -10.705 -7.940 7.402 443 HG SER 63 HG SER 63 -10.073 -8.194 9.470 444 H VAL 64 HN VAL 64 -6.912 -9.293 5.748 445 HA VAL 64 HA VAL 64 -8.254 -9.724 3.195 446 HB VAL 64 HB VAL 64 -7.088 -7.944 2.070 447 1HG1 VAL 64 HG11 VAL 64 -8.431 -6.227 2.747 448 2HG1 VAL 64 HG12 VAL 64 -8.112 -6.503 4.459 449 3HG1 VAL 64 HG13 VAL 64 -9.216 -7.565 3.585 450 1HG2 VAL 64 HG21 VAL 64 -5.876 -6.243 3.646 451 2HG2 VAL 64 HG22 VAL 64 -5.023 -7.668 3.051 452 3HG2 VAL 64 HG23 VAL 64 -5.681 -7.654 4.687 453 H ARG 65 HN ARG 65 -6.069 -10.861 5.243 454 HA ARG 65 HA ARG 65 -3.764 -11.203 3.659 455 1HB ARG 65 HB2 ARG 65 -4.212 -11.453 6.263 456 2HB ARG 65 HB1 ARG 65 -4.465 -13.132 5.814 457 1HG ARG 65 HG2 ARG 65 -2.070 -12.088 4.607 458 2HG ARG 65 HG1 ARG 65 -2.051 -11.874 6.358 459 1HD ARG 65 HD2 ARG 65 -2.141 -14.143 6.770 460 2HD ARG 65 HD1 ARG 65 -2.879 -14.502 5.210 461 HE ARG 65 HE ARG 65 -0.080 -14.350 5.804 462 1HH1 ARG 65 HH11 ARG 65 -2.466 -13.983 3.284 463 2HH1 ARG 65 HH12 ARG 65 -1.346 -14.309 2.004 464 1HH2 ARG 65 HH21 ARG 65 1.394 -14.778 4.123 465 2HH2 ARG 65 HH22 ARG 65 0.845 -14.761 2.480 466 H GLY 66 HN GLY 66 -4.710 -11.855 1.715 467 1HA GLY 66 HA2 GLY 66 -4.330 -14.189 0.677 468 2HA GLY 66 HA1 GLY 66 -5.747 -14.593 1.631 469 H ARG 67 HN ARG 67 -6.116 -11.442 0.690 470 HA ARG 67 HA ARG 67 -7.603 -12.257 -1.725 471 1HB ARG 67 HB2 ARG 67 -9.241 -10.536 -1.227 472 2HB ARG 67 HB1 ARG 67 -9.082 -11.630 0.140 473 1HG ARG 67 HG2 ARG 67 -7.771 -10.024 1.344 474 2HG ARG 67 HG1 ARG 67 -7.725 -8.952 -0.054 475 1HD ARG 67 HD2 ARG 67 -9.379 -8.291 1.691 476 2HD ARG 67 HD1 ARG 67 -10.073 -8.543 0.090 477 HE ARG 67 HE ARG 67 -10.233 -10.923 1.598 478 1HH1 ARG 67 HH11 ARG 67 -11.660 -7.747 1.375 479 2HH1 ARG 67 HH12 ARG 67 -13.179 -8.245 2.039 480 1HH2 ARG 67 HH21 ARG 67 -12.233 -11.583 2.469 481 2HH2 ARG 67 HH22 ARG 67 -13.506 -10.423 2.659 482 H PHE 68 HN PHE 68 -5.710 -9.680 -0.208 483 HA PHE 68 HA PHE 68 -5.596 -8.207 -2.714 484 1HB PHE 68 HB2 PHE 68 -4.546 -7.645 0.057 485 2HB PHE 68 HB1 PHE 68 -4.164 -6.622 -1.322 486 HD1 PHE 68 HD1 PHE 68 -7.347 -7.702 -2.027 487 HD2 PHE 68 HD2 PHE 68 -5.287 -5.178 0.717 488 HE1 PHE 68 HE1 PHE 68 -9.415 -6.428 -1.651 489 HE2 PHE 68 HE2 PHE 68 -7.356 -3.902 1.096 490 HZ PHE 68 HZ PHE 68 -9.423 -4.526 -0.088 491 H THR 69 HN THR 69 -3.531 -7.516 -3.615 492 HA THR 69 HA THR 69 -1.365 -9.459 -3.147 493 HB THR 69 HB THR 69 -2.185 -8.309 -5.823 494 HG1 THR 69 HG1 THR 69 -2.671 -10.821 -4.623 495 1HG2 THR 69 HG21 THR 69 -0.753 -10.397 -6.519 496 2HG2 THR 69 HG22 THR 69 0.033 -10.085 -4.971 497 3HG2 THR 69 HG23 THR 69 -0.005 -8.830 -6.209 498 H ILE 70 HN ILE 70 0.763 -8.726 -3.695 499 HA ILE 70 HA ILE 70 1.212 -5.902 -4.113 500 HB ILE 70 HB ILE 70 0.732 -6.041 -1.721 501 1HG1 ILE 70 HG12 ILE 70 2.312 -4.351 -2.626 502 2HG1 ILE 70 HG11 ILE 70 2.624 -4.768 -0.946 503 1HG2 ILE 70 HG21 ILE 70 1.505 -8.338 -1.376 504 2HG2 ILE 70 HG22 ILE 70 2.196 -7.216 -0.200 505 3HG2 ILE 70 HG23 ILE 70 3.174 -7.790 -1.552 506 1HD1 ILE 70 HD11 ILE 70 4.740 -4.955 -1.605 507 2HD1 ILE 70 HD12 ILE 70 4.292 -5.087 -3.306 508 3HD1 ILE 70 HD13 ILE 70 4.240 -6.510 -2.268 509 H SER 71 HN SER 71 3.086 -5.542 -5.100 510 HA SER 71 HA SER 71 5.364 -7.269 -4.800 511 1HB SER 71 HB2 SER 71 3.592 -8.189 -6.628 512 2HB SER 71 HB1 SER 71 4.550 -7.112 -7.644 513 HG SER 71 HG SER 71 6.419 -8.257 -6.660 514 H ARG 72 HN ARG 72 7.245 -6.265 -5.383 515 HA ARG 72 HA ARG 72 7.090 -3.447 -5.924 516 1HB ARG 72 HB2 ARG 72 9.563 -3.526 -5.759 517 2HB ARG 72 HB1 ARG 72 8.761 -4.245 -4.369 518 1HG ARG 72 HG2 ARG 72 9.228 -6.457 -5.168 519 2HG ARG 72 HG1 ARG 72 9.874 -5.818 -6.681 520 1HD ARG 72 HD2 ARG 72 11.030 -5.553 -3.915 521 2HD ARG 72 HD1 ARG 72 11.732 -6.376 -5.307 522 HE ARG 72 HE ARG 72 11.518 -3.842 -6.180 523 1HH1 ARG 72 HH11 ARG 72 12.862 -5.211 -3.265 524 2HH1 ARG 72 HH12 ARG 72 14.041 -3.958 -3.071 525 1HH2 ARG 72 HH21 ARG 72 13.068 -2.192 -5.926 526 2HH2 ARG 72 HH22 ARG 72 14.157 -2.244 -4.580 527 H ASP 73 HN ASP 73 8.766 -2.549 -7.565 528 HA ASP 73 HA ASP 73 8.172 -3.826 -10.132 529 1HB ASP 73 HB2 ASP 73 7.629 -1.366 -9.628 530 2HB ASP 73 HB1 ASP 73 9.362 -1.086 -9.762 531 H ASN 74 HN ASN 74 10.831 -2.788 -8.104 532 HA ASN 74 HA ASN 74 13.063 -3.212 -8.163 533 1HB ASN 74 HB2 ASN 74 11.809 -5.513 -9.355 534 2HB ASN 74 HB1 ASN 74 13.358 -5.210 -10.137 535 1HD2 ASN 74 HD21 ASN 74 14.812 -4.180 -8.049 536 2HD2 ASN 74 HD22 ASN 74 15.035 -5.400 -6.847 537 H ALA 75 HN ALA 75 11.836 -1.299 -10.031 538 HA ALA 75 HA ALA 75 13.960 -1.265 -12.062 539 1HB ALA 75 HB1 ALA 75 12.193 -1.530 -13.464 540 2HB ALA 75 HB2 ALA 75 12.116 0.222 -13.279 541 3HB ALA 75 HB3 ALA 75 11.047 -0.813 -12.332 542 H LYS 76 HN LYS 76 11.566 0.907 -10.554 543 HA LYS 76 HA LYS 76 13.731 2.858 -10.145 544 1HB LYS 76 HB2 LYS 76 11.931 4.631 -10.505 545 2HB LYS 76 HB1 LYS 76 12.516 3.791 -11.934 546 1HG LYS 76 HG2 LYS 76 10.554 2.403 -11.986 547 2HG LYS 76 HG1 LYS 76 9.988 3.085 -10.459 548 1HD LYS 76 HD2 LYS 76 10.189 5.353 -11.778 549 2HD LYS 76 HD1 LYS 76 10.042 4.296 -13.184 550 1HE LYS 76 HE2 LYS 76 8.038 3.328 -11.690 551 2HE LYS 76 HE1 LYS 76 8.055 4.992 -11.106 552 1HZ LYS 76 HZ1 LYS 76 6.567 4.558 -13.044 553 2HZ LYS 76 HZ2 LYS 76 7.947 4.284 -13.983 554 3HZ LYS 76 HZ3 LYS 76 7.689 5.803 -13.283 555 H LYS 77 HN LYS 77 12.534 0.847 -8.361 556 HA LYS 77 HA LYS 77 11.950 0.669 -6.177 557 1HB LYS 77 HB2 LYS 77 13.175 3.255 -6.402 558 2HB LYS 77 HB1 LYS 77 11.852 3.346 -5.249 559 1HG LYS 77 HG2 LYS 77 14.146 1.399 -5.155 560 2HG LYS 77 HG1 LYS 77 13.949 2.830 -4.142 561 1HD LYS 77 HD2 LYS 77 11.992 0.536 -4.230 562 2HD LYS 77 HD1 LYS 77 13.287 0.686 -3.041 563 1HE LYS 77 HE2 LYS 77 11.651 1.691 -1.842 564 2HE LYS 77 HE1 LYS 77 12.172 3.100 -2.766 565 1HZ LYS 77 HZ1 LYS 77 9.655 2.343 -2.638 566 2HZ LYS 77 HZ2 LYS 77 10.122 1.408 -3.967 567 3HZ LYS 77 HZ3 LYS 77 10.300 3.089 -4.013 568 H THR 78 HN THR 78 9.875 0.327 -7.598 569 HA THR 78 HA THR 78 7.778 2.067 -6.476 570 HB THR 78 HB THR 78 7.806 0.694 -9.170 571 HG1 THR 78 HG1 THR 78 7.869 3.435 -8.450 572 1HG2 THR 78 HG21 THR 78 5.554 0.669 -8.576 573 2HG2 THR 78 HG22 THR 78 5.741 2.140 -9.531 574 3HG2 THR 78 HG23 THR 78 5.655 2.236 -7.772 575 H VAL 79 HN VAL 79 5.866 1.092 -5.803 576 HA VAL 79 HA VAL 79 5.974 -1.843 -5.547 577 HB VAL 79 HB VAL 79 4.791 -1.650 -3.425 578 1HG1 VAL 79 HG11 VAL 79 6.976 -1.809 -2.866 579 2HG1 VAL 79 HG12 VAL 79 6.708 -0.167 -2.278 580 3HG1 VAL 79 HG13 VAL 79 7.443 -0.429 -3.860 581 1HG2 VAL 79 HG21 VAL 79 4.403 0.475 -2.348 582 2HG2 VAL 79 HG22 VAL 79 3.620 0.475 -3.928 583 3HG2 VAL 79 HG23 VAL 79 5.143 1.333 -3.699 584 H TYR 80 HN TYR 80 4.144 -2.991 -6.011 585 HA TYR 80 HA TYR 80 1.785 -1.438 -6.844 586 1HB TYR 80 HB2 TYR 80 2.753 -3.978 -8.151 587 2HB TYR 80 HB1 TYR 80 1.422 -2.957 -8.677 588 HD1 TYR 80 HD1 TYR 80 4.729 -3.792 -9.275 589 HD2 TYR 80 HD2 TYR 80 2.149 -0.418 -9.086 590 HE1 TYR 80 HE1 TYR 80 6.271 -2.541 -10.719 591 HE2 TYR 80 HE2 TYR 80 3.685 0.843 -10.531 592 HH TYR 80 HH TYR 80 5.610 -0.093 -12.424 593 H LEU 81 HN LEU 81 0.122 -1.854 -5.563 594 HA LEU 81 HA LEU 81 -0.132 -4.554 -4.430 595 1HB LEU 81 HB2 LEU 81 -0.267 -3.549 -2.453 596 2HB LEU 81 HB1 LEU 81 -0.203 -1.973 -3.209 597 HG LEU 81 HG LEU 81 -2.867 -3.231 -3.275 598 1HD1 LEU 81 HD11 LEU 81 -1.376 -2.891 -0.745 599 2HD1 LEU 81 HD12 LEU 81 -2.679 -4.005 -1.156 600 3HD1 LEU 81 HD13 LEU 81 -3.044 -2.320 -0.783 601 1HD2 LEU 81 HD21 LEU 81 -3.121 -0.805 -2.115 602 2HD2 LEU 81 HD22 LEU 81 -3.088 -1.072 -3.857 603 3HD2 LEU 81 HD23 LEU 81 -1.619 -0.583 -3.014 604 H GLN 82 HN GLN 82 -1.562 -5.714 -5.497 605 HA GLN 82 HA GLN 82 -3.794 -4.421 -6.846 606 1HB GLN 82 HB2 GLN 82 -2.108 -6.342 -7.679 607 2HB GLN 82 HB1 GLN 82 -3.390 -7.335 -7.016 608 1HG GLN 82 HG2 GLN 82 -4.709 -5.428 -8.537 609 2HG GLN 82 HG1 GLN 82 -3.289 -5.857 -9.488 610 1HE2 GLN 82 HE21 GLN 82 -3.114 -8.558 -8.545 611 2HE2 GLN 82 HE22 GLN 82 -4.427 -9.429 -9.252 612 H MET 83 HN MET 83 -5.314 -3.996 -5.295 613 HA MET 83 HA MET 83 -6.000 -5.908 -3.272 614 1HB MET 83 HB2 MET 83 -7.602 -3.481 -4.060 615 2HB MET 83 HB1 MET 83 -7.584 -4.307 -2.509 616 1HG MET 83 HG2 MET 83 -5.728 -3.275 -1.817 617 2HG MET 83 HG1 MET 83 -5.003 -3.253 -3.421 618 1HE MET 83 HE1 MET 83 -8.090 -0.349 -1.735 619 2HE MET 83 HE2 MET 83 -7.963 -2.084 -1.446 620 3HE MET 83 HE3 MET 83 -8.734 -1.489 -2.916 621 H ASN 84 HN ASN 84 -6.630 -7.766 -4.425 622 HA ASN 84 HA ASN 84 -8.827 -7.633 -6.279 623 1HB ASN 84 HB2 ASN 84 -8.156 -10.300 -5.295 624 2HB ASN 84 HB1 ASN 84 -8.181 -9.675 -6.931 625 1HD2 ASN 84 HD21 ASN 84 -6.323 -10.090 -7.862 626 2HD2 ASN 84 HD22 ASN 84 -4.762 -9.865 -7.158 627 H SER 85 HN SER 85 -10.562 -9.452 -5.899 628 HA SER 85 HA SER 85 -12.588 -9.698 -4.831 629 1HB SER 85 HB2 SER 85 -10.749 -11.397 -3.929 630 2HB SER 85 HB1 SER 85 -11.095 -10.571 -2.410 631 HG SER 85 HG SER 85 -12.793 -12.125 -4.022 632 H LEU 86 HN LEU 86 -12.057 -7.058 -4.652 633 HA LEU 86 HA LEU 86 -11.921 -6.023 -2.029 634 1HB LEU 86 HB2 LEU 86 -12.017 -4.994 -4.643 635 2HB LEU 86 HB1 LEU 86 -13.388 -4.292 -3.805 636 HG LEU 86 HG LEU 86 -11.535 -3.820 -1.950 637 1HD1 LEU 86 HD11 LEU 86 -9.814 -4.977 -3.394 638 2HD1 LEU 86 HD12 LEU 86 -9.394 -3.362 -2.823 639 3HD1 LEU 86 HD13 LEU 86 -9.936 -3.597 -4.485 640 1HD2 LEU 86 HD21 LEU 86 -11.800 -1.652 -2.519 641 2HD2 LEU 86 HD22 LEU 86 -13.000 -2.314 -3.629 642 3HD2 LEU 86 HD23 LEU 86 -11.379 -1.931 -4.209 643 H LYS 87 HN LYS 87 -13.607 -4.908 -0.865 644 HA LYS 87 HA LYS 87 -16.305 -5.972 -1.365 645 1HB LYS 87 HB2 LYS 87 -14.579 -6.420 0.918 646 2HB LYS 87 HB1 LYS 87 -16.080 -5.647 1.409 647 1HG LYS 87 HG2 LYS 87 -17.268 -7.505 1.089 648 2HG LYS 87 HG1 LYS 87 -16.491 -7.840 -0.459 649 1HD LYS 87 HD2 LYS 87 -14.635 -8.889 0.615 650 2HD LYS 87 HD1 LYS 87 -15.182 -8.354 2.206 651 1HE LYS 87 HE2 LYS 87 -17.178 -9.908 0.749 652 2HE LYS 87 HE1 LYS 87 -15.693 -10.802 1.069 653 1HZ LYS 87 HZ1 LYS 87 -17.426 -9.456 3.068 654 2HZ LYS 87 HZ2 LYS 87 -15.923 -10.141 3.427 655 3HZ LYS 87 HZ3 LYS 87 -17.189 -11.121 2.882 656 HA PRO 88 HA PRO 88 -17.783 -1.893 -0.547 657 1HB PRO 88 HB2 PRO 88 -20.030 -2.207 0.880 658 2HB PRO 88 HB1 PRO 88 -19.896 -2.803 -0.779 659 1HG PRO 88 HG2 PRO 88 -19.661 -4.305 1.798 660 2HG PRO 88 HG1 PRO 88 -20.490 -4.771 0.302 661 1HD PRO 88 HD2 PRO 88 -17.992 -5.659 1.020 662 2HD PRO 88 HD1 PRO 88 -18.568 -5.562 -0.655 663 H GLU 89 HN GLU 89 -16.238 -3.428 1.846 664 HA GLU 89 HA GLU 89 -16.777 -1.330 3.838 665 1HB GLU 89 HB2 GLU 89 -16.257 -4.221 4.066 666 2HB GLU 89 HB1 GLU 89 -15.378 -3.222 5.215 667 1HG GLU 89 HG2 GLU 89 -17.307 -2.461 6.233 668 2HG GLU 89 HG1 GLU 89 -18.315 -2.844 4.838 669 H ASP 90 HN ASP 90 -14.589 -2.246 1.516 670 HA ASP 90 HA ASP 90 -12.171 -1.589 2.925 671 1HB ASP 90 HB2 ASP 90 -12.582 -1.906 -0.050 672 2HB ASP 90 HB1 ASP 90 -11.072 -2.018 0.838 673 H THR 91 HN THR 91 -14.653 0.176 1.441 674 HA THR 91 HA THR 91 -13.464 2.249 0.127 675 HB THR 91 HB THR 91 -15.817 2.269 2.004 676 HG1 THR 91 HG1 THR 91 -15.733 0.933 -0.008 677 1HG2 THR 91 HG21 THR 91 -16.564 4.189 0.472 678 2HG2 THR 91 HG22 THR 91 -14.847 4.370 0.111 679 3HG2 THR 91 HG23 THR 91 -15.422 4.543 1.769 680 H ALA 92 HN ALA 92 -11.624 3.216 0.801 681 HA ALA 92 HA ALA 92 -11.724 5.046 2.972 682 1HB ALA 92 HB1 ALA 92 -11.410 3.305 4.482 683 2HB ALA 92 HB2 ALA 92 -9.778 3.922 4.227 684 3HB ALA 92 HB3 ALA 92 -10.300 2.447 3.413 685 H VAL 93 HN VAL 93 -9.563 6.111 3.342 686 HA VAL 93 HA VAL 93 -8.369 6.666 0.803 687 HB VAL 93 HB VAL 93 -8.806 8.354 2.621 688 1HG1 VAL 93 HG11 VAL 93 -7.550 6.701 4.297 689 2HG1 VAL 93 HG12 VAL 93 -7.649 8.442 4.560 690 3HG1 VAL 93 HG13 VAL 93 -6.194 7.738 3.855 691 1HG2 VAL 93 HG21 VAL 93 -7.546 9.219 0.905 692 2HG2 VAL 93 HG22 VAL 93 -6.226 8.077 1.154 693 3HG2 VAL 93 HG23 VAL 93 -6.444 9.430 2.265 694 H TYR 94 HN TYR 94 -7.035 5.173 -0.038 695 HA TYR 94 HA TYR 94 -5.317 3.578 1.623 696 1HB TYR 94 HB2 TYR 94 -6.152 3.654 -1.213 697 2HB TYR 94 HB1 TYR 94 -4.561 2.988 -0.892 698 HD1 TYR 94 HD1 TYR 94 -8.009 2.749 0.522 699 HD2 TYR 94 HD2 TYR 94 -4.455 0.696 -0.597 700 HE1 TYR 94 HE1 TYR 94 -9.051 0.615 1.155 701 HE2 TYR 94 HE2 TYR 94 -5.488 -1.445 0.031 702 HH TYR 94 HH TYR 94 -8.799 -1.789 0.616 703 H THR 95 HN THR 95 -3.684 4.738 2.515 704 HA THR 95 HA THR 95 -2.015 6.353 0.700 705 HB THR 95 HB THR 95 -2.093 6.460 3.719 706 HG1 THR 95 HG1 THR 95 -3.286 8.252 1.878 707 1HG2 THR 95 HG21 THR 95 -0.236 7.652 3.456 708 2HG2 THR 95 HG22 THR 95 -1.289 8.907 2.803 709 3HG2 THR 95 HG23 THR 95 -0.464 7.792 1.713 710 H CYS 96 HN CYS 96 0.081 5.837 0.372 711 HA CYS 96 HA CYS 96 1.044 3.379 1.625 712 1HB CYS 96 HB2 CYS 96 2.752 3.377 -0.157 713 2HB CYS 96 HB1 CYS 96 1.118 3.432 -0.806 714 H GLY 97 HN GLY 97 3.021 3.219 2.674 715 1HA GLY 97 HA2 GLY 97 4.459 5.726 3.200 716 2HA GLY 97 HA1 GLY 97 3.866 4.784 4.560 717 H ALA 98 HN ALA 98 6.369 5.111 4.819 718 HA ALA 98 HA ALA 98 7.622 2.628 3.857 719 1HB ALA 98 HB1 ALA 98 8.444 5.329 3.304 720 2HB ALA 98 HB2 ALA 98 9.070 3.810 2.665 721 3HB ALA 98 HB3 ALA 98 9.703 4.458 4.179 722 H GLY 99 HN GLY 99 9.650 2.140 5.150 723 1HA GLY 99 HA2 GLY 99 9.108 2.746 7.992 724 2HA GLY 99 HA1 GLY 99 9.672 1.181 7.428 725 H GLU 100 HN GLU 100 11.061 2.245 9.405 726 HA GLU 100 HA GLU 100 13.649 2.661 8.227 727 1HB GLU 100 HB2 GLU 100 12.359 4.838 9.877 728 2HB GLU 100 HB1 GLU 100 14.084 4.756 9.544 729 1HG GLU 100 HG2 GLU 100 13.528 4.824 7.107 730 2HG GLU 100 HG1 GLU 100 11.854 5.138 7.565 731 H GLY 101 HN GLY 101 14.919 1.352 9.362 732 1HA GLY 101 HA2 GLY 101 15.864 0.228 11.108 733 2HA GLY 101 HA1 GLY 101 15.286 1.527 12.138 734 H GLY 102 HN GLY 102 12.853 -0.080 10.345 735 1HA GLY 102 HA2 GLY 102 11.700 -2.105 10.993 736 2HA GLY 102 HA1 GLY 102 12.242 -1.825 12.640 737 H THR 103 HN THR 103 11.495 1.160 11.911 738 HA THR 103 HA THR 103 8.753 0.896 12.886 739 HB THR 103 HB THR 103 10.387 3.405 12.645 740 HG1 THR 103 HG1 THR 103 10.366 1.537 14.770 741 1HG2 THR 103 HG21 THR 103 8.436 4.244 13.373 742 2HG2 THR 103 HG22 THR 103 9.013 3.664 14.936 743 3HG2 THR 103 HG23 THR 103 7.880 2.692 13.999 744 H TRP 104 HN TRP 104 7.412 2.970 12.095 745 HA TRP 104 HA TRP 104 7.753 3.329 9.211 746 1HB TRP 104 HB2 TRP 104 5.184 2.446 10.541 747 2HB TRP 104 HB1 TRP 104 5.327 2.942 8.857 748 HD1 TRP 104 HD1 TRP 104 6.301 0.088 11.226 749 HE1 TRP 104 HE1 TRP 104 6.879 -1.985 9.813 750 HE3 TRP 104 HE3 TRP 104 6.127 2.202 6.573 751 HZ2 TRP 104 HZ2 TRP 104 7.219 -2.636 7.087 752 HZ3 TRP 104 HZ3 TRP 104 6.592 0.785 4.616 753 HH2 TRP 104 HH2 TRP 104 7.127 -1.584 4.870 754 H ASP 105 HN ASP 105 8.179 5.461 9.233 755 HA ASP 105 HA ASP 105 6.182 7.213 10.494 756 1HB ASP 105 HB2 ASP 105 8.060 7.563 11.813 757 2HB ASP 105 HB1 ASP 105 9.160 7.391 10.457 758 H SER 106 HN SER 106 7.553 6.242 7.585 759 HA SER 106 HA SER 106 7.235 8.820 6.272 760 1HB SER 106 HB2 SER 106 8.710 6.394 5.738 761 2HB SER 106 HB1 SER 106 7.744 6.848 4.335 762 HG SER 106 HG SER 106 9.248 8.257 3.970 763 H TRP 107 HN TRP 107 5.659 9.322 4.818 764 HA TRP 107 HA TRP 107 3.670 7.296 4.121 765 1HB TRP 107 HB2 TRP 107 2.864 9.990 5.220 766 2HB TRP 107 HB1 TRP 107 1.810 8.646 4.807 767 HD1 TRP 107 HD1 TRP 107 4.302 9.763 7.491 768 HE1 TRP 107 HE1 TRP 107 3.899 8.365 9.616 769 HE3 TRP 107 HE3 TRP 107 0.884 6.449 5.638 770 HZ2 TRP 107 HZ2 TRP 107 2.334 6.148 10.399 771 HZ3 TRP 107 HZ3 TRP 107 -0.018 4.721 7.139 772 HH2 TRP 107 HH2 TRP 107 0.693 4.574 9.469 773 H GLY 108 HN GLY 108 2.130 8.124 2.452 774 1HA GLY 108 HA2 GLY 108 3.587 9.904 0.603 775 2HA GLY 108 HA1 GLY 108 2.494 8.622 0.103 776 H GLN 109 HN GLN 109 1.223 9.996 -1.149 777 HA GLN 109 HA GLN 109 -0.034 12.295 0.091 778 1HB GLN 109 HB2 GLN 109 0.679 12.430 -2.248 779 2HB GLN 109 HB1 GLN 109 -0.385 11.093 -2.658 780 1HG GLN 109 HG2 GLN 109 -1.935 12.595 -3.142 781 2HG GLN 109 HG1 GLN 109 -2.045 12.933 -1.415 782 1HE2 GLN 109 HE21 GLN 109 -0.577 14.593 -0.571 783 2HE2 GLN 109 HE22 GLN 109 -0.191 15.942 -1.578 784 H GLY 110 HN GLY 110 -1.166 9.301 -1.480 785 1HA GLY 110 HA2 GLY 110 -2.768 7.932 -0.199 786 2HA GLY 110 HA1 GLY 110 -3.553 9.435 0.258 787 H THR 111 HN THR 111 -4.674 7.093 -1.056 788 HA THR 111 HA THR 111 -5.928 8.483 -3.285 789 HB THR 111 HB THR 111 -4.074 7.200 -4.302 790 HG1 THR 111 HG1 THR 111 -6.582 6.027 -4.895 791 1HG2 THR 111 HG21 THR 111 -5.240 4.582 -4.060 792 2HG2 THR 111 HG22 THR 111 -4.732 5.204 -2.490 793 3HG2 THR 111 HG23 THR 111 -3.573 5.104 -3.814 794 H GLN 112 HN GLN 112 -8.005 8.436 -2.741 795 HA GLN 112 HA GLN 112 -9.136 6.616 -0.935 796 1HB GLN 112 HB2 GLN 112 -10.324 8.580 -1.047 797 2HB GLN 112 HB1 GLN 112 -10.210 8.683 -2.789 798 1HG GLN 112 HG2 GLN 112 -12.399 8.189 -2.650 799 2HG GLN 112 HG1 GLN 112 -11.794 6.537 -2.602 800 1HE2 GLN 112 HE21 GLN 112 -10.767 6.580 0.012 801 2HE2 GLN 112 HE22 GLN 112 -12.091 6.658 1.106 802 H VAL 113 HN VAL 113 -10.321 4.804 -1.149 803 HA VAL 113 HA VAL 113 -10.449 3.607 -3.839 804 HB VAL 113 HB VAL 113 -9.908 2.351 -1.156 805 1HG1 VAL 113 HG11 VAL 113 -9.744 0.266 -2.886 806 2HG1 VAL 113 HG12 VAL 113 -11.102 1.161 -3.568 807 3HG1 VAL 113 HG13 VAL 113 -11.156 0.620 -1.890 808 1HG2 VAL 113 HG21 VAL 113 -8.338 2.066 -3.702 809 2HG2 VAL 113 HG22 VAL 113 -7.833 1.693 -2.054 810 3HG2 VAL 113 HG23 VAL 113 -8.051 3.371 -2.551 811 H THR 114 HN THR 114 -12.555 4.109 -4.351 812 HA THR 114 HA THR 114 -14.668 3.699 -2.412 813 HB THR 114 HB THR 114 -14.822 4.529 -5.316 814 HG1 THR 114 HG1 THR 114 -13.716 6.047 -4.061 815 1HG2 THR 114 HG21 THR 114 -17.002 4.108 -5.021 816 2HG2 THR 114 HG22 THR 114 -16.973 5.640 -4.148 817 3HG2 THR 114 HG23 THR 114 -16.878 4.119 -3.262 818 H VAL 115 HN VAL 115 -16.089 2.048 -2.350 819 HA VAL 115 HA VAL 115 -15.992 0.047 -4.489 820 HB VAL 115 HB VAL 115 -16.391 -0.834 -1.658 821 1HG1 VAL 115 HG11 VAL 115 -15.744 -2.045 -4.274 822 2HG1 VAL 115 HG12 VAL 115 -16.746 -2.653 -2.957 823 3HG1 VAL 115 HG13 VAL 115 -14.989 -2.773 -2.857 824 1HG2 VAL 115 HG21 VAL 115 -14.311 0.504 -1.650 825 2HG2 VAL 115 HG22 VAL 115 -13.674 -0.523 -2.934 826 3HG2 VAL 115 HG23 VAL 115 -14.022 -1.210 -1.347 827 H SER 116 HN SER 116 -17.892 -1.460 -4.309 828 HA SER 116 HA SER 116 -20.274 -0.153 -3.207 829 1HB SER 116 HB2 SER 116 -19.715 0.076 -5.849 830 2HB SER 116 HB1 SER 116 -20.634 -1.429 -5.853 831 HG SER 116 HG SER 116 -21.591 1.003 -5.761 832 H SER 117 HN SER 117 -22.190 -1.890 -4.129 833 HA SER 117 HA SER 117 -21.494 -4.320 -2.654 834 1HB SER 117 HB2 SER 117 -24.280 -3.908 -3.569 835 2HB SER 117 HB1 SER 117 -23.674 -4.446 -2.003 836 HG SER 117 HG SER 117 -23.053 -2.226 -1.641 Start of MODEL 7 1 1H GLN 1 HT1 GLN 1 12.657 13.804 4.351 2 2H GLN 1 HT2 GLN 1 12.568 14.779 2.941 3 3H GLN 1 HT3 GLN 1 13.609 15.225 4.230 4 HA GLN 1 HA GLN 1 15.003 14.331 2.681 5 1HB GLN 1 HB2 GLN 1 15.242 13.456 4.993 6 2HB GLN 1 HB1 GLN 1 14.228 12.087 4.557 7 1HG GLN 1 HG2 GLN 1 15.894 11.022 3.515 8 2HG GLN 1 HG1 GLN 1 16.522 12.501 2.789 9 1HE2 GLN 1 HE21 GLN 1 17.168 14.043 4.869 10 2HE2 GLN 1 HE22 GLN 1 18.377 13.294 5.849 11 H VAL 2 HN VAL 2 12.683 11.690 3.299 12 HA VAL 2 HA VAL 2 12.802 11.044 0.428 13 HB VAL 2 HB VAL 2 11.705 8.824 1.683 14 1HG1 VAL 2 HG11 VAL 2 14.226 9.541 0.358 15 2HG1 VAL 2 HG12 VAL 2 13.118 8.204 0.050 16 3HG1 VAL 2 HG13 VAL 2 14.291 8.093 1.362 17 1HG2 VAL 2 HG21 VAL 2 14.030 9.819 3.327 18 2HG2 VAL 2 HG22 VAL 2 13.286 8.225 3.451 19 3HG2 VAL 2 HG23 VAL 2 12.361 9.665 3.875 20 H GLN 3 HN GLN 3 10.846 10.253 -0.567 21 HA GLN 3 HA GLN 3 8.345 10.717 0.837 22 1HB GLN 3 HB2 GLN 3 9.391 12.467 -1.329 23 2HB GLN 3 HB1 GLN 3 7.678 12.075 -1.362 24 1HG GLN 3 HG2 GLN 3 7.214 13.396 0.381 25 2HG GLN 3 HG1 GLN 3 8.667 12.920 1.258 26 1HE2 GLN 3 HE21 GLN 3 7.755 15.524 1.231 27 2HE2 GLN 3 HE22 GLN 3 8.876 16.510 0.362 28 H LEU 4 HN LEU 4 6.451 10.285 -0.752 29 HA LEU 4 HA LEU 4 7.131 8.328 -2.803 30 1HB LEU 4 HB2 LEU 4 5.277 7.698 -0.506 31 2HB LEU 4 HB1 LEU 4 5.568 6.669 -1.895 32 HG LEU 4 HG LEU 4 8.104 7.000 -0.961 33 1HD1 LEU 4 HD11 LEU 4 6.561 6.560 1.551 34 2HD1 LEU 4 HD12 LEU 4 6.901 8.207 1.019 35 3HD1 LEU 4 HD13 LEU 4 8.229 7.090 1.330 36 1HD2 LEU 4 HD21 LEU 4 6.936 4.904 -1.601 37 2HD2 LEU 4 HD22 LEU 4 6.175 4.889 -0.010 38 3HD2 LEU 4 HD23 LEU 4 7.927 4.746 -0.151 39 H GLN 5 HN GLN 5 5.213 7.682 -4.091 40 HA GLN 5 HA GLN 5 2.932 9.489 -3.926 41 1HB GLN 5 HB2 GLN 5 4.515 10.692 -5.345 42 2HB GLN 5 HB1 GLN 5 4.688 9.280 -6.379 43 1HG GLN 5 HG2 GLN 5 1.942 9.832 -6.270 44 2HG GLN 5 HG1 GLN 5 2.751 11.384 -6.481 45 1HE2 GLN 5 HE21 GLN 5 3.612 8.156 -7.644 46 2HE2 GLN 5 HE22 GLN 5 3.592 8.563 -9.323 47 H GLU 6 HN GLU 6 1.063 8.654 -4.780 48 HA GLU 6 HA GLU 6 1.161 5.827 -5.517 49 1HB GLU 6 HB2 GLU 6 -1.409 7.307 -5.186 50 2HB GLU 6 HB1 GLU 6 -1.021 5.642 -4.782 51 1HG GLU 6 HG2 GLU 6 -1.135 6.475 -2.689 52 2HG GLU 6 HG1 GLU 6 0.557 6.848 -3.019 53 H SER 7 HN SER 7 -0.467 5.105 -7.174 54 HA SER 7 HA SER 7 -1.316 6.901 -9.202 55 1HB SER 7 HB2 SER 7 0.854 7.098 -10.020 56 2HB SER 7 HB1 SER 7 1.277 5.443 -9.585 57 HG SER 7 HG SER 7 0.524 4.765 -11.436 58 H GLY 8 HN GLY 8 -3.160 5.988 -9.792 59 1HA GLY 8 HA2 GLY 8 -4.091 4.160 -11.179 60 2HA GLY 8 HA1 GLY 8 -3.214 3.052 -10.135 61 H GLY 9 HN GLY 9 -3.856 4.445 -7.677 62 1HA GLY 9 HA2 GLY 9 -6.105 3.104 -6.868 63 2HA GLY 9 HA1 GLY 9 -5.481 4.535 -6.072 64 H GLY 10 HN GLY 10 -8.226 3.461 -6.780 65 1HA GLY 10 HA2 GLY 10 -9.544 5.909 -7.049 66 2HA GLY 10 HA1 GLY 10 -9.438 5.187 -8.648 67 H LEU 11 HN LEU 11 -11.796 5.220 -8.492 68 HA LEU 11 HA LEU 11 -13.174 3.643 -6.626 69 1HB LEU 11 HB2 LEU 11 -14.079 4.522 -9.355 70 2HB LEU 11 HB1 LEU 11 -15.111 3.981 -8.041 71 HG LEU 11 HG LEU 11 -13.548 6.074 -7.009 72 1HD1 LEU 11 HD11 LEU 11 -13.472 6.445 -9.672 73 2HD1 LEU 11 HD12 LEU 11 -13.480 7.765 -8.502 74 3HD1 LEU 11 HD13 LEU 11 -14.980 7.275 -9.290 75 1HD2 LEU 11 HD21 LEU 11 -16.353 6.530 -7.892 76 2HD2 LEU 11 HD22 LEU 11 -15.572 6.923 -6.360 77 3HD2 LEU 11 HD23 LEU 11 -16.037 5.259 -6.712 78 H VAL 12 HN VAL 12 -14.275 1.642 -6.955 79 HA VAL 12 HA VAL 12 -13.925 0.059 -9.281 80 HB VAL 12 HB VAL 12 -11.632 -0.105 -8.468 81 1HG1 VAL 12 HG11 VAL 12 -12.468 -1.653 -6.075 82 2HG1 VAL 12 HG12 VAL 12 -12.532 0.108 -5.994 83 3HG1 VAL 12 HG13 VAL 12 -11.008 -0.704 -6.355 84 1HG2 VAL 12 HG21 VAL 12 -11.850 -2.748 -7.949 85 2HG2 VAL 12 HG22 VAL 12 -11.950 -2.045 -9.563 86 3HG2 VAL 12 HG23 VAL 12 -13.425 -2.427 -8.675 87 H GLN 13 HN GLN 13 -15.906 -0.799 -9.260 88 HA GLN 13 HA GLN 13 -17.493 -1.263 -7.033 89 1HB GLN 13 HB2 GLN 13 -19.006 -2.262 -8.512 90 2HB GLN 13 HB1 GLN 13 -18.136 -1.109 -9.501 91 1HG GLN 13 HG2 GLN 13 -16.660 -3.030 -10.215 92 2HG GLN 13 HG1 GLN 13 -17.831 -4.094 -9.438 93 1HE2 GLN 13 HE21 GLN 13 -20.139 -3.699 -10.137 94 2HE2 GLN 13 HE22 GLN 13 -20.402 -3.441 -11.825 95 H ALA 14 HN ALA 14 -18.155 -3.204 -6.006 96 HA ALA 14 HA ALA 14 -16.157 -4.860 -5.107 97 1HB ALA 14 HB1 ALA 14 -19.104 -4.910 -5.021 98 2HB ALA 14 HB2 ALA 14 -17.926 -5.011 -3.712 99 3HB ALA 14 HB3 ALA 14 -18.285 -6.436 -4.687 100 H GLY 15 HN GLY 15 -15.697 -7.087 -5.451 101 1HA GLY 15 HA2 GLY 15 -15.432 -9.017 -6.690 102 2HA GLY 15 HA1 GLY 15 -16.767 -8.495 -7.705 103 H GLY 16 HN GLY 16 -14.530 -6.022 -7.539 104 1HA GLY 16 HA2 GLY 16 -13.232 -6.958 -10.023 105 2HA GLY 16 HA1 GLY 16 -13.734 -5.294 -9.769 106 H SER 17 HN SER 17 -11.124 -7.255 -9.832 107 HA SER 17 HA SER 17 -9.642 -6.352 -7.584 108 1HB SER 17 HB2 SER 17 -9.278 -8.389 -9.253 109 2HB SER 17 HB1 SER 17 -8.233 -7.217 -10.049 110 HG SER 17 HG SER 17 -6.999 -8.297 -8.558 111 H LEU 18 HN LEU 18 -8.295 -4.654 -7.328 112 HA LEU 18 HA LEU 18 -7.891 -2.875 -9.637 113 1HB LEU 18 HB2 LEU 18 -9.607 -1.936 -8.168 114 2HB LEU 18 HB1 LEU 18 -8.516 -2.058 -6.799 115 HG LEU 18 HG LEU 18 -6.984 -0.548 -8.352 116 1HD1 LEU 18 HD11 LEU 18 -8.057 0.802 -9.861 117 2HD1 LEU 18 HD12 LEU 18 -9.634 0.588 -9.100 118 3HD1 LEU 18 HD13 LEU 18 -8.946 -0.705 -10.082 119 1HD2 LEU 18 HD21 LEU 18 -7.801 -0.025 -6.081 120 2HD2 LEU 18 HD22 LEU 18 -9.313 0.553 -6.783 121 3HD2 LEU 18 HD23 LEU 18 -7.798 1.382 -7.144 122 H ARG 19 HN ARG 19 -5.839 -2.256 -9.970 123 HA ARG 19 HA ARG 19 -3.862 -3.015 -7.933 124 1HB ARG 19 HB2 ARG 19 -3.598 -4.157 -10.070 125 2HB ARG 19 HB1 ARG 19 -3.532 -2.613 -10.906 126 1HG ARG 19 HG2 ARG 19 -1.458 -2.064 -9.739 127 2HG ARG 19 HG1 ARG 19 -1.525 -3.612 -8.895 128 1HD ARG 19 HD2 ARG 19 -0.694 -4.719 -10.650 129 2HD ARG 19 HD1 ARG 19 -1.765 -3.894 -11.781 130 HE ARG 19 HE ARG 19 0.960 -3.216 -11.161 131 1HH1 ARG 19 HH11 ARG 19 -2.083 -2.022 -12.381 132 2HH1 ARG 19 HH12 ARG 19 -1.360 -0.726 -13.273 133 1HH2 ARG 19 HH21 ARG 19 1.913 -1.512 -12.334 134 2HH2 ARG 19 HH22 ARG 19 0.909 -0.438 -13.248 135 H LEU 20 HN LEU 20 -2.560 -1.541 -7.028 136 HA LEU 20 HA LEU 20 -2.615 1.195 -8.113 137 1HB LEU 20 HB2 LEU 20 -2.042 0.763 -5.230 138 2HB LEU 20 HB1 LEU 20 -2.812 2.120 -6.026 139 HG LEU 20 HG LEU 20 -4.080 -0.545 -5.401 140 1HD1 LEU 20 HD11 LEU 20 -3.872 1.962 -3.983 141 2HD1 LEU 20 HD12 LEU 20 -4.519 0.413 -3.444 142 3HD1 LEU 20 HD13 LEU 20 -5.554 1.547 -4.311 143 1HD2 LEU 20 HD21 LEU 20 -5.444 -0.128 -7.111 144 2HD2 LEU 20 HD22 LEU 20 -4.763 1.480 -7.357 145 3HD2 LEU 20 HD23 LEU 20 -6.052 1.240 -6.178 146 H SER 21 HN SER 21 -0.695 2.400 -7.940 147 HA SER 21 HA SER 21 1.717 0.788 -7.427 148 1HB SER 21 HB2 SER 21 2.828 1.894 -9.275 149 2HB SER 21 HB1 SER 21 1.317 1.195 -9.856 150 HG SER 21 HG SER 21 2.091 3.684 -10.072 151 H CYS 22 HN CYS 22 3.371 1.724 -6.321 152 HA CYS 22 HA CYS 22 3.096 4.549 -5.569 153 1HB CYS 22 HB2 CYS 22 2.202 3.136 -3.736 154 2HB CYS 22 HB1 CYS 22 3.760 2.326 -3.630 155 H ALA 23 HN ALA 23 4.960 5.679 -5.566 156 HA ALA 23 HA ALA 23 7.431 4.171 -6.117 157 1HB ALA 23 HB1 ALA 23 7.279 7.058 -6.761 158 2HB ALA 23 HB2 ALA 23 6.330 5.955 -7.757 159 3HB ALA 23 HB3 ALA 23 8.076 5.742 -7.623 160 H ALA 24 HN ALA 24 9.429 5.031 -5.273 161 HA ALA 24 HA ALA 24 9.135 6.793 -2.943 162 1HB ALA 24 HB1 ALA 24 9.747 5.254 -1.450 163 2HB ALA 24 HB2 ALA 24 11.070 4.682 -2.467 164 3HB ALA 24 HB3 ALA 24 9.439 4.054 -2.706 165 H SER 25 HN SER 25 11.709 6.780 -2.031 166 HA SER 25 HA SER 25 13.187 7.873 -4.331 167 1HB SER 25 HB2 SER 25 12.473 9.174 -2.034 168 2HB SER 25 HB1 SER 25 14.101 8.628 -1.635 169 HG SER 25 HG SER 25 14.905 9.765 -3.333 170 H GLY 26 HN GLY 26 15.465 7.546 -4.440 171 1HA GLY 26 HA2 GLY 26 16.257 4.974 -3.284 172 2HA GLY 26 HA1 GLY 26 17.029 5.778 -4.641 173 H ARG 27 HN ARG 27 16.287 7.626 -1.807 174 HA ARG 27 HA ARG 27 19.139 7.953 -1.305 175 1HB ARG 27 HB2 ARG 27 16.684 9.504 -0.584 176 2HB ARG 27 HB1 ARG 27 18.174 9.745 0.310 177 1HG ARG 27 HG2 ARG 27 17.919 10.034 -2.671 178 2HG ARG 27 HG1 ARG 27 17.839 11.370 -1.522 179 1HD ARG 27 HD2 ARG 27 20.135 10.277 -0.722 180 2HD ARG 27 HD1 ARG 27 20.159 9.749 -2.404 181 HE ARG 27 HE ARG 27 20.546 11.913 -3.047 182 1HH1 ARG 27 HH11 ARG 27 19.501 11.888 0.282 183 2HH1 ARG 27 HH12 ARG 27 19.851 13.564 0.535 184 1HH2 ARG 27 HH21 ARG 27 21.006 14.118 -2.717 185 2HH2 ARG 27 HH22 ARG 27 20.702 14.832 -1.169 186 H THR 28 HN THR 28 18.630 5.521 -0.526 187 HA THR 28 HA THR 28 19.076 5.562 2.285 188 HB THR 28 HB THR 28 16.622 5.805 2.285 189 HG1 THR 28 HG1 THR 28 16.521 4.513 3.932 190 1HG2 THR 28 HG21 THR 28 15.359 4.756 0.811 191 2HG2 THR 28 HG22 THR 28 15.753 3.233 1.609 192 3HG2 THR 28 HG23 THR 28 16.730 3.798 0.253 193 H GLY 29 HN GLY 29 18.472 2.942 2.934 194 1HA GLY 29 HA2 GLY 29 18.826 0.825 1.410 195 2HA GLY 29 HA1 GLY 29 20.422 1.541 1.288 196 H SER 30 HN SER 30 18.273 1.388 4.088 197 HA SER 30 HA SER 30 20.287 -0.278 5.447 198 1HB SER 30 HB2 SER 30 20.351 2.019 6.305 199 2HB SER 30 HB1 SER 30 18.622 1.951 6.644 200 HG SER 30 HG SER 30 18.978 0.590 8.290 201 H THR 31 HN THR 31 17.002 0.879 6.191 202 HA THR 31 HA THR 31 16.033 -1.875 6.202 203 HB THR 31 HB THR 31 14.815 -0.965 8.456 204 HG1 THR 31 HG1 THR 31 16.523 -0.037 9.715 205 1HG2 THR 31 HG21 THR 31 17.336 -2.531 8.117 206 2HG2 THR 31 HG22 THR 31 15.726 -3.087 8.575 207 3HG2 THR 31 HG23 THR 31 16.700 -2.165 9.721 208 H TYR 32 HN TYR 32 15.634 0.517 4.543 209 HA TYR 32 HA TYR 32 13.091 1.650 5.090 210 1HB TYR 32 HB2 TYR 32 15.048 2.437 3.525 211 2HB TYR 32 HB1 TYR 32 14.197 1.490 2.314 212 HD1 TYR 32 HD1 TYR 32 12.543 2.521 1.062 213 HD2 TYR 32 HD2 TYR 32 13.588 4.167 4.842 214 HE1 TYR 32 HE1 TYR 32 11.061 4.435 0.631 215 HE2 TYR 32 HE2 TYR 32 12.107 6.085 4.424 216 HH TYR 32 HH TYR 32 11.031 7.236 2.673 217 H ASP 33 HN ASP 33 11.087 1.141 4.336 218 HA ASP 33 HA ASP 33 10.796 -1.224 2.628 219 1HB ASP 33 HB2 ASP 33 9.342 -0.772 5.244 220 2HB ASP 33 HB1 ASP 33 8.950 -2.039 4.085 221 H MET 34 HN MET 34 8.378 -1.461 2.002 222 HA MET 34 HA MET 34 7.103 1.159 1.727 223 1HB MET 34 HB2 MET 34 8.216 -0.505 -0.434 224 2HB MET 34 HB1 MET 34 6.577 0.066 -0.717 225 1HG MET 34 HG2 MET 34 7.226 2.187 -1.019 226 2HG MET 34 HG1 MET 34 8.438 2.110 0.258 227 1HE MET 34 HE1 MET 34 10.683 1.465 0.110 228 2HE MET 34 HE2 MET 34 10.865 2.959 -0.810 229 3HE MET 34 HE3 MET 34 11.662 1.484 -1.356 230 H GLY 35 HN GLY 35 5.096 0.992 2.481 231 1HA GLY 35 HA2 GLY 35 3.502 -1.351 1.746 232 2HA GLY 35 HA1 GLY 35 3.696 -1.006 3.457 233 H TRP 36 HN TRP 36 1.272 -1.059 1.802 234 HA TRP 36 HA TRP 36 0.433 1.701 1.649 235 1HB TRP 36 HB2 TRP 36 -0.983 -0.875 1.055 236 2HB TRP 36 HB1 TRP 36 -1.696 0.707 0.838 237 HD1 TRP 36 HD1 TRP 36 1.226 -1.414 -0.535 238 HE1 TRP 36 HE1 TRP 36 1.704 -0.652 -2.946 239 HE3 TRP 36 HE3 TRP 36 -2.033 2.517 -0.803 240 HZ2 TRP 36 HZ2 TRP 36 0.816 1.347 -4.728 241 HZ3 TRP 36 HZ3 TRP 36 -2.158 3.803 -2.898 242 HH2 TRP 36 HH2 TRP 36 -0.763 3.229 -4.818 243 H PHE 37 HN PHE 37 -1.383 2.527 2.745 244 HA PHE 37 HA PHE 37 -2.136 1.098 5.188 245 1HB PHE 37 HB2 PHE 37 -0.936 3.802 4.861 246 2HB PHE 37 HB1 PHE 37 -2.184 3.611 6.079 247 HD1 PHE 37 HD1 PHE 37 -1.467 3.158 8.207 248 HD2 PHE 37 HD2 PHE 37 0.866 1.803 4.916 249 HE1 PHE 37 HE1 PHE 37 0.204 2.251 9.769 250 HE2 PHE 37 HE2 PHE 37 2.538 0.890 6.471 251 HZ PHE 37 HZ PHE 37 2.209 1.114 8.902 252 H ARG 38 HN ARG 38 -3.989 2.585 6.267 253 HA ARG 38 HA ARG 38 -5.767 3.706 4.271 254 1HB ARG 38 HB2 ARG 38 -7.642 2.214 4.894 255 2HB ARG 38 HB1 ARG 38 -6.329 1.366 4.090 256 1HG ARG 38 HG2 ARG 38 -5.620 1.060 6.684 257 2HG ARG 38 HG1 ARG 38 -7.380 1.080 6.814 258 1HD ARG 38 HD2 ARG 38 -6.376 -0.560 4.611 259 2HD ARG 38 HD1 ARG 38 -5.851 -1.110 6.202 260 HE ARG 38 HE ARG 38 -8.655 -0.546 6.092 261 1HH1 ARG 38 HH11 ARG 38 -6.225 -2.951 5.395 262 2HH1 ARG 38 HH12 ARG 38 -7.328 -4.281 5.513 263 1HH2 ARG 38 HH21 ARG 38 -10.107 -2.293 6.248 264 2HH2 ARG 38 HH22 ARG 38 -9.532 -3.908 5.998 265 H GLN 39 HN GLN 39 -7.632 4.782 5.206 266 HA GLN 39 HA GLN 39 -7.793 5.042 8.070 267 1HB GLN 39 HB2 GLN 39 -6.145 6.852 6.603 268 2HB GLN 39 HB1 GLN 39 -7.550 7.736 7.185 269 1HG GLN 39 HG2 GLN 39 -6.819 6.264 9.373 270 2HG GLN 39 HG1 GLN 39 -5.268 6.673 8.643 271 1HE2 GLN 39 HE21 GLN 39 -5.993 7.599 11.119 272 2HE2 GLN 39 HE22 GLN 39 -6.238 9.305 11.052 273 H ALA 40 HN ALA 40 -9.729 5.821 8.761 274 HA ALA 40 HA ALA 40 -11.614 6.778 6.710 275 1HB ALA 40 HB1 ALA 40 -13.303 5.528 8.365 276 2HB ALA 40 HB2 ALA 40 -11.880 4.512 8.596 277 3HB ALA 40 HB3 ALA 40 -12.555 4.731 6.981 278 HA PRO 41 HA PRO 41 -12.595 10.065 9.459 279 1HB PRO 41 HB2 PRO 41 -15.306 10.290 9.259 280 2HB PRO 41 HB1 PRO 41 -14.196 10.813 7.988 281 1HG PRO 41 HG2 PRO 41 -15.775 8.280 8.201 282 2HG PRO 41 HG1 PRO 41 -15.495 9.310 6.784 283 1HD PRO 41 HD2 PRO 41 -14.126 7.014 7.202 284 2HD PRO 41 HD1 PRO 41 -13.403 8.419 6.392 285 H GLY 42 HN GLY 42 -12.852 10.359 11.564 286 1HA GLY 42 HA2 GLY 42 -13.468 9.978 13.748 287 2HA GLY 42 HA1 GLY 42 -14.810 9.017 13.139 288 H LYS 43 HN LYS 43 -12.027 7.858 11.743 289 HA LYS 43 HA LYS 43 -11.795 5.756 13.788 290 1HB LYS 43 HB2 LYS 43 -12.598 5.427 11.275 291 2HB LYS 43 HB1 LYS 43 -10.868 5.362 10.993 292 1HG LYS 43 HG2 LYS 43 -10.911 3.216 11.545 293 2HG LYS 43 HG1 LYS 43 -11.339 3.689 13.191 294 1HD LYS 43 HD2 LYS 43 -13.534 3.172 12.913 295 2HD LYS 43 HD1 LYS 43 -13.537 3.634 11.210 296 1HE LYS 43 HE2 LYS 43 -13.055 1.553 10.523 297 2HE LYS 43 HE1 LYS 43 -11.876 1.301 11.810 298 1HZ LYS 43 HZ1 LYS 43 -13.992 -0.110 11.808 299 2HZ LYS 43 HZ2 LYS 43 -14.771 1.276 12.384 300 3HZ LYS 43 HZ3 LYS 43 -13.508 0.586 13.273 301 H GLU 44 HN GLU 44 -9.538 4.528 13.214 302 HA GLU 44 HA GLU 44 -7.473 6.605 13.432 303 1HB GLU 44 HB2 GLU 44 -7.179 3.783 14.431 304 2HB GLU 44 HB1 GLU 44 -6.235 5.199 14.871 305 1HG GLU 44 HG2 GLU 44 -9.157 5.028 15.500 306 2HG GLU 44 HG1 GLU 44 -7.944 4.296 16.550 307 H ARG 45 HN ARG 45 -5.364 6.108 12.529 308 HA ARG 45 HA ARG 45 -5.597 4.969 9.920 309 1HB ARG 45 HB2 ARG 45 -3.513 5.878 9.473 310 2HB ARG 45 HB1 ARG 45 -4.133 6.960 10.711 311 1HG ARG 45 HG2 ARG 45 -2.848 5.616 12.394 312 2HG ARG 45 HG1 ARG 45 -2.102 4.768 11.038 313 1HD ARG 45 HD2 ARG 45 -1.568 7.183 10.201 314 2HD ARG 45 HD1 ARG 45 -1.807 7.615 11.893 315 HE ARG 45 HE ARG 45 0.406 6.161 10.767 316 1HH1 ARG 45 HH11 ARG 45 -1.417 6.814 13.671 317 2HH1 ARG 45 HH12 ARG 45 -0.114 6.399 14.732 318 1HH2 ARG 45 HH21 ARG 45 2.121 5.614 12.162 319 2HH2 ARG 45 HH22 ARG 45 1.895 5.719 13.876 320 H GLU 46 HN GLU 46 -5.009 3.061 9.161 321 HA GLU 46 HA GLU 46 -3.414 1.263 10.846 322 1HB GLU 46 HB2 GLU 46 -4.892 -0.597 10.399 323 2HB GLU 46 HB1 GLU 46 -5.821 0.708 11.124 324 1HG GLU 46 HG2 GLU 46 -6.480 1.362 8.770 325 2HG GLU 46 HG1 GLU 46 -5.794 -0.180 8.259 326 H SER 47 HN SER 47 -2.588 -0.624 9.551 327 HA SER 47 HA SER 47 -1.816 0.349 6.907 328 1HB SER 47 HB2 SER 47 -0.052 -0.223 8.596 329 2HB SER 47 HB1 SER 47 -0.557 -1.896 8.477 330 HG SER 47 HG SER 47 0.126 -0.454 6.165 331 H VAL 48 HN VAL 48 -1.303 -1.489 5.346 332 HA VAL 48 HA VAL 48 -3.442 -3.508 5.408 333 HB VAL 48 HB VAL 48 -2.585 -2.246 2.842 334 1HG1 VAL 48 HG11 VAL 48 -5.266 -3.388 3.525 335 2HG1 VAL 48 HG12 VAL 48 -3.921 -4.426 3.050 336 3HG1 VAL 48 HG13 VAL 48 -4.515 -3.189 1.941 337 1HG2 VAL 48 HG21 VAL 48 -4.966 -1.046 3.314 338 2HG2 VAL 48 HG22 VAL 48 -3.398 -0.291 3.600 339 3HG2 VAL 48 HG23 VAL 48 -4.266 -1.055 4.933 340 H ALA 49 HN ALA 49 -0.717 -2.669 3.264 341 HA ALA 49 HA ALA 49 0.452 -5.294 3.801 342 1HB ALA 49 HB1 ALA 49 0.164 -4.369 0.963 343 2HB ALA 49 HB2 ALA 49 -1.086 -5.332 1.751 344 3HB ALA 49 HB3 ALA 49 0.544 -5.980 1.571 345 H ALA 50 HN ALA 50 2.620 -5.305 3.843 346 HA ALA 50 HA ALA 50 4.042 -2.965 2.773 347 1HB ALA 50 HB1 ALA 50 3.909 -3.904 5.545 348 2HB ALA 50 HB2 ALA 50 4.315 -2.312 4.902 349 3HB ALA 50 HB3 ALA 50 5.540 -3.581 4.953 350 H ILE 51 HN ILE 51 6.087 -3.346 1.962 351 HA ILE 51 HA ILE 51 6.967 -6.154 1.928 352 HB ILE 51 HB ILE 51 5.916 -5.568 -0.217 353 1HG1 ILE 51 HG12 ILE 51 8.560 -5.749 -1.297 354 2HG1 ILE 51 HG11 ILE 51 8.496 -6.684 0.193 355 1HG2 ILE 51 HG21 ILE 51 7.999 -3.872 -1.254 356 2HG2 ILE 51 HG22 ILE 51 7.206 -3.123 0.131 357 3HG2 ILE 51 HG23 ILE 51 6.252 -3.638 -1.260 358 1HD1 ILE 51 HD11 ILE 51 6.864 -8.115 -0.634 359 2HD1 ILE 51 HD12 ILE 51 7.939 -7.858 -2.008 360 3HD1 ILE 51 HD13 ILE 51 6.402 -6.999 -1.918 361 H ASN 52 HN ASN 52 9.151 -6.526 1.996 362 HA ASN 52 HA ASN 52 10.757 -4.538 3.200 363 1HB ASN 52 HB2 ASN 52 12.429 -6.234 3.292 364 2HB ASN 52 HB1 ASN 52 10.891 -7.023 3.575 365 1HD2 ASN 52 HD21 ASN 52 9.970 -8.272 1.890 366 2HD2 ASN 52 HD22 ASN 52 10.960 -8.939 0.643 367 H TRP 53 HN TRP 53 13.260 -4.903 2.077 368 HA TRP 53 HA TRP 53 12.956 -3.603 -0.547 369 1HB TRP 53 HB2 TRP 53 14.082 -2.559 1.730 370 2HB TRP 53 HB1 TRP 53 15.486 -3.186 0.876 371 HD1 TRP 53 HD1 TRP 53 13.704 -0.098 1.217 372 HE1 TRP 53 HE1 TRP 53 14.008 1.443 -0.821 373 HE3 TRP 53 HE3 TRP 53 15.538 -3.510 -2.115 374 HZ2 TRP 53 HZ2 TRP 53 14.906 1.240 -3.488 375 HZ3 TRP 53 HZ3 TRP 53 16.095 -2.757 -4.390 376 HH2 TRP 53 HH2 TRP 53 15.784 -0.430 -5.061 377 H ASP 54 HN ASP 54 15.372 -5.426 1.351 378 HA ASP 54 HA ASP 54 16.956 -6.252 -0.770 379 1HB ASP 54 HB2 ASP 54 16.448 -7.314 1.977 380 2HB ASP 54 HB1 ASP 54 17.377 -8.299 0.851 381 H SER 55 HN SER 55 15.140 -8.764 0.933 382 HA SER 55 HA SER 55 13.336 -9.523 -1.009 383 1HB SER 55 HB2 SER 55 14.702 -11.564 -1.915 384 2HB SER 55 HB1 SER 55 14.917 -9.979 -2.658 385 HG SER 55 HG SER 55 16.646 -11.438 -1.027 386 H ALA 56 HN ALA 56 12.664 -9.710 1.336 387 HA ALA 56 HA ALA 56 13.296 -12.376 2.394 388 1HB ALA 56 HB1 ALA 56 12.340 -9.904 3.826 389 2HB ALA 56 HB2 ALA 56 13.927 -10.663 3.950 390 3HB ALA 56 HB3 ALA 56 12.502 -11.491 4.578 391 H ARG 57 HN ARG 57 10.572 -10.124 2.830 392 HA ARG 57 HA ARG 57 8.690 -11.759 1.477 393 1HB ARG 57 HB2 ARG 57 9.226 -12.356 4.276 394 2HB ARG 57 HB1 ARG 57 7.537 -11.956 3.999 395 1HG ARG 57 HG2 ARG 57 8.444 -13.743 1.956 396 2HG ARG 57 HG1 ARG 57 8.836 -14.403 3.545 397 1HD ARG 57 HD2 ARG 57 6.658 -14.671 4.121 398 2HD ARG 57 HD1 ARG 57 6.133 -13.250 3.220 399 HE ARG 57 HE ARG 57 6.261 -15.960 2.267 400 1HH1 ARG 57 HH11 ARG 57 6.242 -12.596 1.341 401 2HH1 ARG 57 HH12 ARG 57 5.653 -12.910 -0.256 402 1HH2 ARG 57 HH21 ARG 57 5.487 -16.375 0.167 403 2HH2 ARG 57 HH22 ARG 57 5.223 -15.055 -0.922 404 H THR 58 HN THR 58 6.350 -11.115 2.682 405 HA THR 58 HA THR 58 6.387 -8.170 2.697 406 HB THR 58 HB THR 58 3.821 -9.414 2.066 407 HG1 THR 58 HG1 THR 58 4.358 -10.442 0.282 408 1HG2 THR 58 HG21 THR 58 3.693 -7.291 1.380 409 2HG2 THR 58 HG22 THR 58 4.459 -7.914 -0.081 410 3HG2 THR 58 HG23 THR 58 5.437 -7.144 1.168 411 H TYR 59 HN TYR 59 4.055 -7.458 3.617 412 HA TYR 59 HA TYR 59 3.499 -8.940 6.080 413 1HB TYR 59 HB2 TYR 59 5.099 -7.270 6.761 414 2HB TYR 59 HB1 TYR 59 4.218 -6.010 5.906 415 HD1 TYR 59 HD1 TYR 59 2.342 -4.924 6.899 416 HD2 TYR 59 HD2 TYR 59 4.150 -8.249 8.841 417 HE1 TYR 59 HE1 TYR 59 1.062 -4.421 8.938 418 HE2 TYR 59 HE2 TYR 59 2.875 -7.755 10.886 419 HH TYR 59 HH TYR 59 0.773 -6.586 11.507 420 H TYR 60 HN TYR 60 1.483 -9.543 5.281 421 HA TYR 60 HA TYR 60 -0.343 -7.605 4.211 422 1HB TYR 60 HB2 TYR 60 -0.605 -10.512 4.968 423 2HB TYR 60 HB1 TYR 60 -1.956 -9.564 4.369 424 HD1 TYR 60 HD1 TYR 60 0.969 -11.447 3.488 425 HD2 TYR 60 HD2 TYR 60 -1.791 -8.543 2.058 426 HE1 TYR 60 HE1 TYR 60 1.668 -11.929 1.180 427 HE2 TYR 60 HE2 TYR 60 -1.101 -9.017 -0.254 428 HH TYR 60 HH TYR 60 1.668 -10.686 -1.042 429 H ALA 61 HN ALA 61 -2.476 -7.196 5.144 430 HA ALA 61 HA ALA 61 -2.339 -7.055 8.082 431 1HB ALA 61 HB1 ALA 61 -3.775 -5.103 7.948 432 2HB ALA 61 HB2 ALA 61 -3.888 -5.283 6.197 433 3HB ALA 61 HB3 ALA 61 -2.342 -4.879 6.943 434 H SER 62 HN SER 62 -4.420 -7.145 9.228 435 HA SER 62 HA SER 62 -5.898 -9.431 8.442 436 1HB SER 62 HB2 SER 62 -5.524 -8.820 10.813 437 2HB SER 62 HB1 SER 62 -6.549 -7.402 10.595 438 HG SER 62 HG SER 62 -8.167 -8.662 10.993 439 H SER 63 HN SER 63 -8.113 -9.582 7.941 440 HA SER 63 HA SER 63 -10.173 -8.875 7.170 441 1HB SER 63 HB2 SER 63 -9.611 -6.596 8.278 442 2HB SER 63 HB1 SER 63 -9.123 -6.102 6.657 443 HG SER 63 HG SER 63 -11.158 -5.761 6.319 444 H VAL 64 HN VAL 64 -7.123 -8.579 5.723 445 HA VAL 64 HA VAL 64 -8.271 -9.197 3.131 446 HB VAL 64 HB VAL 64 -6.927 -7.529 1.932 447 1HG1 VAL 64 HG11 VAL 64 -8.343 -5.665 2.315 448 2HG1 VAL 64 HG12 VAL 64 -8.645 -6.151 3.983 449 3HG1 VAL 64 HG13 VAL 64 -9.301 -7.106 2.654 450 1HG2 VAL 64 HG21 VAL 64 -5.162 -6.702 3.030 451 2HG2 VAL 64 HG22 VAL 64 -5.863 -7.063 4.608 452 3HG2 VAL 64 HG23 VAL 64 -6.307 -5.579 3.765 453 H ARG 65 HN ARG 65 -6.382 -10.267 5.358 454 HA ARG 65 HA ARG 65 -3.904 -10.637 4.022 455 1HB ARG 65 HB2 ARG 65 -4.572 -10.631 6.602 456 2HB ARG 65 HB1 ARG 65 -4.717 -12.356 6.303 457 1HG ARG 65 HG2 ARG 65 -2.294 -11.568 5.147 458 2HG ARG 65 HG1 ARG 65 -2.376 -10.770 6.717 459 1HD ARG 65 HD2 ARG 65 -3.234 -13.560 6.780 460 2HD ARG 65 HD1 ARG 65 -1.560 -13.354 6.269 461 HE ARG 65 HE ARG 65 -2.118 -11.812 8.586 462 1HH1 ARG 65 HH11 ARG 65 -1.493 -15.076 7.523 463 2HH1 ARG 65 HH12 ARG 65 -0.837 -15.580 9.045 464 1HH2 ARG 65 HH21 ARG 65 -1.257 -12.472 10.589 465 2HH2 ARG 65 HH22 ARG 65 -0.705 -14.102 10.787 466 H GLY 66 HN GLY 66 -4.657 -11.526 2.092 467 1HA GLY 66 HA2 GLY 66 -4.175 -13.990 1.412 468 2HA GLY 66 HA1 GLY 66 -5.720 -14.246 2.208 469 H ARG 67 HN ARG 67 -6.233 -11.331 1.077 470 HA ARG 67 HA ARG 67 -7.239 -12.327 -1.506 471 1HB ARG 67 HB2 ARG 67 -8.671 -10.094 -1.145 472 2HB ARG 67 HB1 ARG 67 -9.163 -11.656 -0.509 473 1HG ARG 67 HG2 ARG 67 -7.425 -9.987 1.208 474 2HG ARG 67 HG1 ARG 67 -9.084 -9.463 0.978 475 1HD ARG 67 HD2 ARG 67 -9.086 -12.266 1.467 476 2HD ARG 67 HD1 ARG 67 -8.100 -11.481 2.699 477 HE ARG 67 HE ARG 67 -10.492 -10.048 2.405 478 1HH1 ARG 67 HH11 ARG 67 -9.355 -13.129 3.582 479 2HH1 ARG 67 HH12 ARG 67 -10.633 -13.301 4.738 480 1HH2 ARG 67 HH21 ARG 67 -12.173 -10.270 3.925 481 2HH2 ARG 67 HH22 ARG 67 -12.235 -11.678 4.932 482 H PHE 68 HN PHE 68 -5.966 -9.374 0.030 483 HA PHE 68 HA PHE 68 -5.525 -8.024 -2.430 484 1HB PHE 68 HB2 PHE 68 -4.665 -7.562 0.409 485 2HB PHE 68 HB1 PHE 68 -3.988 -6.587 -0.890 486 HD1 PHE 68 HD1 PHE 68 -4.889 -4.484 -0.424 487 HD2 PHE 68 HD2 PHE 68 -7.458 -7.871 -0.629 488 HE1 PHE 68 HE1 PHE 68 -6.848 -2.999 -0.333 489 HE2 PHE 68 HE2 PHE 68 -9.421 -6.392 -0.540 490 HZ PHE 68 HZ PHE 68 -9.118 -3.953 -0.392 491 H THR 69 HN THR 69 -3.708 -7.813 -3.668 492 HA THR 69 HA THR 69 -1.483 -9.630 -3.014 493 HB THR 69 HB THR 69 -2.179 -8.577 -5.756 494 HG1 THR 69 HG1 THR 69 -3.080 -10.901 -4.425 495 1HG2 THR 69 HG21 THR 69 -0.323 -9.602 -6.373 496 2HG2 THR 69 HG22 THR 69 -1.063 -11.130 -5.894 497 3HG2 THR 69 HG23 THR 69 -0.070 -10.233 -4.746 498 H ILE 70 HN ILE 70 0.626 -8.942 -3.246 499 HA ILE 70 HA ILE 70 1.064 -6.096 -3.820 500 HB ILE 70 HB ILE 70 0.918 -6.266 -1.412 501 1HG1 ILE 70 HG12 ILE 70 3.566 -5.843 -0.987 502 2HG1 ILE 70 HG11 ILE 70 3.489 -5.636 -2.732 503 1HG2 ILE 70 HG21 ILE 70 2.295 -7.717 -0.095 504 2HG2 ILE 70 HG22 ILE 70 3.150 -8.282 -1.531 505 3HG2 ILE 70 HG23 ILE 70 1.447 -8.686 -1.302 506 1HD1 ILE 70 HD11 ILE 70 2.056 -3.813 -2.572 507 2HD1 ILE 70 HD12 ILE 70 3.202 -3.577 -1.252 508 3HD1 ILE 70 HD13 ILE 70 1.590 -4.207 -0.917 509 H SER 71 HN SER 71 2.984 -5.625 -4.828 510 HA SER 71 HA SER 71 5.063 -7.638 -5.037 511 1HB SER 71 HB2 SER 71 4.226 -6.567 -7.671 512 2HB SER 71 HB1 SER 71 4.849 -8.161 -7.246 513 HG SER 71 HG SER 71 2.732 -8.459 -7.751 514 H ARG 72 HN ARG 72 6.676 -6.638 -6.902 515 HA ARG 72 HA ARG 72 7.005 -3.785 -6.265 516 1HB ARG 72 HB2 ARG 72 8.585 -5.781 -5.206 517 2HB ARG 72 HB1 ARG 72 9.522 -5.243 -6.593 518 1HG ARG 72 HG2 ARG 72 9.546 -2.988 -5.772 519 2HG ARG 72 HG1 ARG 72 8.453 -3.416 -4.454 520 1HD ARG 72 HD2 ARG 72 11.298 -4.307 -4.863 521 2HD ARG 72 HD1 ARG 72 10.651 -3.327 -3.548 522 HE ARG 72 HE ARG 72 9.262 -5.601 -3.276 523 1HH1 ARG 72 HH11 ARG 72 12.679 -5.010 -3.675 524 2HH1 ARG 72 HH12 ARG 72 13.154 -6.416 -2.783 525 1HH2 ARG 72 HH21 ARG 72 9.884 -7.450 -2.101 526 2HH2 ARG 72 HH22 ARG 72 11.567 -7.801 -1.888 527 H ASP 73 HN ASP 73 8.657 -2.741 -7.744 528 HA ASP 73 HA ASP 73 8.099 -3.614 -10.480 529 1HB ASP 73 HB2 ASP 73 7.646 -1.232 -9.641 530 2HB ASP 73 HB1 ASP 73 9.392 -1.014 -9.680 531 H ASN 74 HN ASN 74 10.768 -2.880 -8.305 532 HA ASN 74 HA ASN 74 12.989 -3.360 -8.389 533 1HB ASN 74 HB2 ASN 74 11.684 -5.506 -9.880 534 2HB ASN 74 HB1 ASN 74 13.348 -5.243 -10.391 535 1HD2 ASN 74 HD21 ASN 74 14.673 -4.617 -8.187 536 2HD2 ASN 74 HD22 ASN 74 14.583 -5.880 -7.011 537 H ALA 75 HN ALA 75 11.999 -1.203 -9.967 538 HA ALA 75 HA ALA 75 14.164 -1.049 -11.925 539 1HB ALA 75 HB1 ALA 75 11.641 0.204 -12.789 540 2HB ALA 75 HB2 ALA 75 11.674 -1.559 -12.809 541 3HB ALA 75 HB3 ALA 75 12.870 -0.644 -13.728 542 H LYS 76 HN LYS 76 11.413 0.977 -10.898 543 HA LYS 76 HA LYS 76 13.339 3.133 -10.340 544 1HB LYS 76 HB2 LYS 76 10.807 3.075 -11.753 545 2HB LYS 76 HB1 LYS 76 10.784 4.264 -10.458 546 1HG LYS 76 HG2 LYS 76 11.497 5.218 -12.598 547 2HG LYS 76 HG1 LYS 76 12.749 5.341 -11.360 548 1HD LYS 76 HD2 LYS 76 13.882 3.394 -12.298 549 2HD LYS 76 HD1 LYS 76 12.617 3.235 -13.518 550 1HE LYS 76 HE2 LYS 76 13.862 5.889 -13.378 551 2HE LYS 76 HE1 LYS 76 14.952 4.590 -13.862 552 1HZ LYS 76 HZ1 LYS 76 13.948 5.512 -15.803 553 2HZ LYS 76 HZ2 LYS 76 12.392 5.341 -15.162 554 3HZ LYS 76 HZ3 LYS 76 13.293 3.969 -15.569 555 H LYS 77 HN LYS 77 12.579 0.979 -8.505 556 HA LYS 77 HA LYS 77 12.046 0.687 -6.312 557 1HB LYS 77 HB2 LYS 77 12.087 3.694 -6.078 558 2HB LYS 77 HB1 LYS 77 12.405 2.513 -4.816 559 1HG LYS 77 HG2 LYS 77 14.553 2.291 -5.397 560 2HG LYS 77 HG1 LYS 77 14.189 2.294 -7.123 561 1HD LYS 77 HD2 LYS 77 13.645 4.887 -6.357 562 2HD LYS 77 HD1 LYS 77 15.060 4.469 -5.389 563 1HE LYS 77 HE2 LYS 77 16.134 5.178 -7.259 564 2HE LYS 77 HE1 LYS 77 15.875 3.499 -7.730 565 1HZ LYS 77 HZ1 LYS 77 14.685 5.921 -8.784 566 2HZ LYS 77 HZ2 LYS 77 13.610 4.632 -8.575 567 3HZ LYS 77 HZ3 LYS 77 14.981 4.439 -9.545 568 H THR 78 HN THR 78 9.908 0.602 -8.023 569 HA THR 78 HA THR 78 7.780 2.020 -6.563 570 HB THR 78 HB THR 78 7.873 1.000 -9.404 571 HG1 THR 78 HG1 THR 78 8.807 3.101 -8.790 572 1HG2 THR 78 HG21 THR 78 5.540 2.099 -7.867 573 2HG2 THR 78 HG22 THR 78 5.645 0.577 -8.753 574 3HG2 THR 78 HG23 THR 78 5.630 2.109 -9.629 575 H VAL 79 HN VAL 79 5.866 0.908 -6.057 576 HA VAL 79 HA VAL 79 6.106 -2.029 -6.055 577 HB VAL 79 HB VAL 79 4.907 -2.090 -3.936 578 1HG1 VAL 79 HG11 VAL 79 7.093 -0.178 -3.343 579 2HG1 VAL 79 HG12 VAL 79 7.506 -1.641 -4.238 580 3HG1 VAL 79 HG13 VAL 79 6.752 -1.763 -2.648 581 1HG2 VAL 79 HG21 VAL 79 4.493 0.725 -4.519 582 2HG2 VAL 79 HG22 VAL 79 5.088 0.459 -2.880 583 3HG2 VAL 79 HG23 VAL 79 3.615 -0.343 -3.424 584 H TYR 80 HN TYR 80 4.042 -3.185 -6.033 585 HA TYR 80 HA TYR 80 1.753 -1.632 -6.975 586 1HB TYR 80 HB2 TYR 80 2.706 -4.086 -8.441 587 2HB TYR 80 HB1 TYR 80 1.407 -2.997 -8.909 588 HD1 TYR 80 HD1 TYR 80 2.124 -0.510 -9.297 589 HD2 TYR 80 HD2 TYR 80 4.780 -3.828 -9.387 590 HE1 TYR 80 HE1 TYR 80 3.704 0.798 -10.651 591 HE2 TYR 80 HE2 TYR 80 6.368 -2.530 -10.737 592 HH TYR 80 HH TYR 80 6.142 -0.488 -12.380 593 H LEU 81 HN LEU 81 -0.118 -2.316 -6.094 594 HA LEU 81 HA LEU 81 -0.178 -5.034 -4.981 595 1HB LEU 81 HB2 LEU 81 -0.850 -4.350 -2.944 596 2HB LEU 81 HB1 LEU 81 -0.040 -2.869 -3.406 597 HG LEU 81 HG LEU 81 -2.998 -3.266 -3.830 598 1HD1 LEU 81 HD11 LEU 81 -3.182 -1.846 -1.728 599 2HD1 LEU 81 HD12 LEU 81 -1.524 -2.340 -1.386 600 3HD1 LEU 81 HD13 LEU 81 -2.797 -3.554 -1.515 601 1HD2 LEU 81 HD21 LEU 81 -1.210 -0.845 -3.667 602 2HD2 LEU 81 HD22 LEU 81 -2.968 -0.792 -3.776 603 3HD2 LEU 81 HD23 LEU 81 -2.022 -1.466 -5.103 604 H GLN 82 HN GLN 82 -1.710 -6.244 -5.790 605 HA GLN 82 HA GLN 82 -3.887 -5.019 -7.284 606 1HB GLN 82 HB2 GLN 82 -2.275 -7.023 -7.966 607 2HB GLN 82 HB1 GLN 82 -3.522 -7.950 -7.153 608 1HG GLN 82 HG2 GLN 82 -5.188 -7.227 -8.664 609 2HG GLN 82 HG1 GLN 82 -4.130 -5.989 -9.339 610 1HE2 GLN 82 HE21 GLN 82 -4.922 -9.363 -9.271 611 2HE2 GLN 82 HE22 GLN 82 -3.970 -9.827 -10.636 612 H MET 83 HN MET 83 -5.378 -4.391 -5.765 613 HA MET 83 HA MET 83 -6.172 -6.104 -3.610 614 1HB MET 83 HB2 MET 83 -7.694 -3.697 -4.583 615 2HB MET 83 HB1 MET 83 -7.637 -4.368 -2.960 616 1HG MET 83 HG2 MET 83 -5.877 -3.159 -2.415 617 2HG MET 83 HG1 MET 83 -5.015 -3.603 -3.883 618 1HE MET 83 HE1 MET 83 -8.027 -0.260 -3.329 619 2HE MET 83 HE2 MET 83 -8.188 -1.961 -2.893 620 3HE MET 83 HE3 MET 83 -8.547 -1.435 -4.538 621 H ASN 84 HN ASN 84 -6.889 -8.011 -4.609 622 HA ASN 84 HA ASN 84 -9.097 -7.885 -6.473 623 1HB ASN 84 HB2 ASN 84 -8.444 -10.540 -5.459 624 2HB ASN 84 HB1 ASN 84 -8.465 -9.935 -7.104 625 1HD2 ASN 84 HD21 ASN 84 -6.608 -10.203 -8.082 626 2HD2 ASN 84 HD22 ASN 84 -5.044 -10.062 -7.361 627 H SER 85 HN SER 85 -10.839 -9.670 -6.020 628 HA SER 85 HA SER 85 -12.846 -9.858 -4.896 629 1HB SER 85 HB2 SER 85 -11.054 -11.616 -4.058 630 2HB SER 85 HB1 SER 85 -11.264 -10.759 -2.532 631 HG SER 85 HG SER 85 -13.319 -11.960 -4.081 632 H LEU 86 HN LEU 86 -11.983 -7.208 -4.689 633 HA LEU 86 HA LEU 86 -11.747 -6.102 -2.184 634 1HB LEU 86 HB2 LEU 86 -12.246 -5.174 -4.795 635 2HB LEU 86 HB1 LEU 86 -13.498 -4.474 -3.787 636 HG LEU 86 HG LEU 86 -11.351 -3.945 -2.251 637 1HD1 LEU 86 HD11 LEU 86 -10.358 -4.303 -5.038 638 2HD1 LEU 86 HD12 LEU 86 -9.579 -4.689 -3.503 639 3HD1 LEU 86 HD13 LEU 86 -9.685 -3.013 -4.041 640 1HD2 LEU 86 HD21 LEU 86 -11.570 -1.942 -4.335 641 2HD2 LEU 86 HD22 LEU 86 -12.010 -1.852 -2.631 642 3HD2 LEU 86 HD23 LEU 86 -13.150 -2.515 -3.801 643 H LYS 87 HN LYS 87 -13.300 -4.966 -0.859 644 HA LYS 87 HA LYS 87 -15.986 -6.174 -0.907 645 1HB LYS 87 HB2 LYS 87 -14.070 -5.874 1.390 646 2HB LYS 87 HB1 LYS 87 -15.802 -5.971 1.672 647 1HG LYS 87 HG2 LYS 87 -15.353 -8.170 1.838 648 2HG LYS 87 HG1 LYS 87 -15.493 -8.104 0.080 649 1HD LYS 87 HD2 LYS 87 -13.081 -7.863 -0.122 650 2HD LYS 87 HD1 LYS 87 -12.919 -7.856 1.635 651 1HE LYS 87 HE2 LYS 87 -13.329 -10.102 1.819 652 2HE LYS 87 HE1 LYS 87 -14.308 -10.152 0.354 653 1HZ LYS 87 HZ1 LYS 87 -11.815 -11.075 0.502 654 2HZ LYS 87 HZ2 LYS 87 -11.507 -9.499 -0.030 655 3HZ LYS 87 HZ3 LYS 87 -12.517 -10.513 -0.932 656 HA PRO 88 HA PRO 88 -17.547 -2.085 -0.383 657 1HB PRO 88 HB2 PRO 88 -19.735 -2.422 1.151 658 2HB PRO 88 HB1 PRO 88 -19.648 -3.026 -0.508 659 1HG PRO 88 HG2 PRO 88 -19.263 -4.502 2.068 660 2HG PRO 88 HG1 PRO 88 -20.154 -4.998 0.617 661 1HD PRO 88 HD2 PRO 88 -17.634 -5.861 1.193 662 2HD PRO 88 HD1 PRO 88 -18.253 -5.700 -0.461 663 H GLU 89 HN GLU 89 -15.963 -3.534 2.070 664 HA GLU 89 HA GLU 89 -16.471 -1.357 3.978 665 1HB GLU 89 HB2 GLU 89 -15.659 -4.209 4.306 666 2HB GLU 89 HB1 GLU 89 -15.084 -3.039 5.486 667 1HG GLU 89 HG2 GLU 89 -17.274 -2.491 6.158 668 2HG GLU 89 HG1 GLU 89 -17.986 -3.317 4.772 669 H ASP 90 HN ASP 90 -14.305 -2.352 1.642 670 HA ASP 90 HA ASP 90 -11.877 -1.548 2.956 671 1HB ASP 90 HB2 ASP 90 -12.602 -2.429 0.181 672 2HB ASP 90 HB1 ASP 90 -11.039 -1.683 0.487 673 H THR 91 HN THR 91 -14.407 0.024 1.242 674 HA THR 91 HA THR 91 -13.194 2.127 -0.025 675 HB THR 91 HB THR 91 -15.751 2.061 1.569 676 HG1 THR 91 HG1 THR 91 -15.704 0.602 -0.143 677 1HG2 THR 91 HG21 THR 91 -14.552 4.231 0.012 678 2HG2 THR 91 HG22 THR 91 -15.822 4.272 1.236 679 3HG2 THR 91 HG23 THR 91 -16.213 3.833 -0.427 680 H ALA 92 HN ALA 92 -11.569 3.298 0.790 681 HA ALA 92 HA ALA 92 -12.023 5.128 2.909 682 1HB ALA 92 HB1 ALA 92 -11.680 3.400 4.450 683 2HB ALA 92 HB2 ALA 92 -10.121 4.217 4.360 684 3HB ALA 92 HB3 ALA 92 -10.368 2.695 3.505 685 H VAL 93 HN VAL 93 -9.628 5.974 3.634 686 HA VAL 93 HA VAL 93 -8.448 6.849 1.132 687 HB VAL 93 HB VAL 93 -7.895 7.657 3.988 688 1HG1 VAL 93 HG11 VAL 93 -6.550 8.327 1.451 689 2HG1 VAL 93 HG12 VAL 93 -5.937 8.361 3.105 690 3HG1 VAL 93 HG13 VAL 93 -6.926 9.692 2.503 691 1HG2 VAL 93 HG21 VAL 93 -10.131 8.255 3.065 692 2HG2 VAL 93 HG22 VAL 93 -9.310 9.188 1.813 693 3HG2 VAL 93 HG23 VAL 93 -9.140 9.644 3.508 694 H TYR 94 HN TYR 94 -7.083 5.363 0.271 695 HA TYR 94 HA TYR 94 -5.346 3.775 1.928 696 1HB TYR 94 HB2 TYR 94 -6.097 3.911 -0.941 697 2HB TYR 94 HB1 TYR 94 -4.521 3.246 -0.563 698 HD1 TYR 94 HD1 TYR 94 -7.876 2.957 1.050 699 HD2 TYR 94 HD2 TYR 94 -4.571 0.936 -0.708 700 HE1 TYR 94 HE1 TYR 94 -8.938 0.797 1.553 701 HE2 TYR 94 HE2 TYR 94 -5.624 -1.231 -0.210 702 HH TYR 94 HH TYR 94 -8.655 -1.716 0.360 703 H THR 95 HN THR 95 -3.612 4.753 2.786 704 HA THR 95 HA THR 95 -2.147 6.703 1.142 705 HB THR 95 HB THR 95 -2.020 6.287 4.134 706 HG1 THR 95 HG1 THR 95 -3.293 8.365 2.691 707 1HG2 THR 95 HG21 THR 95 -0.013 7.330 3.514 708 2HG2 THR 95 HG22 THR 95 -1.075 8.627 4.061 709 3HG2 THR 95 HG23 THR 95 -0.820 8.365 2.336 710 H CYS 96 HN CYS 96 -0.140 6.294 0.472 711 HA CYS 96 HA CYS 96 1.064 3.742 1.213 712 1HB CYS 96 HB2 CYS 96 0.901 4.270 -1.170 713 2HB CYS 96 HB1 CYS 96 1.824 5.748 -0.922 714 H GLY 97 HN GLY 97 2.988 3.525 2.278 715 1HA GLY 97 HA2 GLY 97 4.542 5.930 2.877 716 2HA GLY 97 HA1 GLY 97 3.864 5.048 4.236 717 H ALA 98 HN ALA 98 6.441 5.291 4.379 718 HA ALA 98 HA ALA 98 7.513 2.679 3.531 719 1HB ALA 98 HB1 ALA 98 8.458 5.232 2.784 720 2HB ALA 98 HB2 ALA 98 9.167 3.656 2.435 721 3HB ALA 98 HB3 ALA 98 9.640 4.534 3.890 722 H GLY 99 HN GLY 99 9.552 2.159 4.848 723 1HA GLY 99 HA2 GLY 99 9.033 2.872 7.670 724 2HA GLY 99 HA1 GLY 99 9.396 1.229 7.172 725 H GLU 100 HN GLU 100 10.930 1.998 9.075 726 HA GLU 100 HA GLU 100 13.543 1.996 7.998 727 1HB GLU 100 HB2 GLU 100 12.381 4.585 8.845 728 2HB GLU 100 HB1 GLU 100 14.014 4.246 9.401 729 1HG GLU 100 HG2 GLU 100 14.319 3.612 6.834 730 2HG GLU 100 HG1 GLU 100 13.007 4.779 6.676 731 H GLY 101 HN GLY 101 14.661 0.789 9.386 732 1HA GLY 101 HA2 GLY 101 15.384 -0.177 11.321 733 2HA GLY 101 HA1 GLY 101 14.861 1.284 12.141 734 H GLY 102 HN GLY 102 12.411 -0.319 10.371 735 1HA GLY 102 HA2 GLY 102 10.999 -2.109 11.129 736 2HA GLY 102 HA1 GLY 102 11.519 -1.768 12.772 737 H THR 103 HN THR 103 11.098 1.218 11.694 738 HA THR 103 HA THR 103 8.332 1.320 12.642 739 HB THR 103 HB THR 103 10.207 3.622 12.210 740 HG1 THR 103 HG1 THR 103 11.288 3.066 13.902 741 1HG2 THR 103 HG21 THR 103 8.841 4.253 14.420 742 2HG2 THR 103 HG22 THR 103 7.630 3.279 13.585 743 3HG2 THR 103 HG23 THR 103 8.321 4.698 12.794 744 H TRP 104 HN TRP 104 7.197 3.392 11.643 745 HA TRP 104 HA TRP 104 7.643 3.540 8.761 746 1HB TRP 104 HB2 TRP 104 5.004 2.816 10.044 747 2HB TRP 104 HB1 TRP 104 5.197 3.264 8.352 748 HD1 TRP 104 HD1 TRP 104 6.126 0.464 10.815 749 HE1 TRP 104 HE1 TRP 104 6.617 -1.674 9.464 750 HE3 TRP 104 HE3 TRP 104 5.874 2.412 6.097 751 HZ2 TRP 104 HZ2 TRP 104 6.868 -2.430 6.754 752 HZ3 TRP 104 HZ3 TRP 104 6.256 0.919 4.179 753 HH2 TRP 104 HH2 TRP 104 6.742 -1.453 4.503 754 H ASP 105 HN ASP 105 8.337 5.649 9.009 755 HA ASP 105 HA ASP 105 6.348 7.562 10.013 756 1HB ASP 105 HB2 ASP 105 8.366 7.722 11.272 757 2HB ASP 105 HB1 ASP 105 9.336 7.750 9.810 758 H SER 106 HN SER 106 7.598 6.342 7.170 759 HA SER 106 HA SER 106 7.465 8.850 5.698 760 1HB SER 106 HB2 SER 106 8.714 6.276 5.294 761 2HB SER 106 HB1 SER 106 7.756 6.722 3.884 762 HG SER 106 HG SER 106 10.122 7.704 4.709 763 H TRP 107 HN TRP 107 5.767 9.498 4.517 764 HA TRP 107 HA TRP 107 3.698 7.563 3.791 765 1HB TRP 107 HB2 TRP 107 2.980 10.201 5.066 766 2HB TRP 107 HB1 TRP 107 1.914 8.850 4.700 767 HD1 TRP 107 HD1 TRP 107 4.079 10.243 7.414 768 HE1 TRP 107 HE1 TRP 107 4.063 8.660 9.443 769 HE3 TRP 107 HE3 TRP 107 1.816 6.195 5.266 770 HZ2 TRP 107 HZ2 TRP 107 3.205 6.039 10.052 771 HZ3 TRP 107 HZ3 TRP 107 1.435 4.190 6.639 772 HH2 TRP 107 HH2 TRP 107 2.115 4.114 8.982 773 H GLY 108 HN GLY 108 2.107 8.495 2.246 774 1HA GLY 108 HA2 GLY 108 3.498 10.351 0.428 775 2HA GLY 108 HA1 GLY 108 2.312 9.152 -0.066 776 H GLN 109 HN GLN 109 0.751 10.353 -0.986 777 HA GLN 109 HA GLN 109 -0.260 12.687 0.468 778 1HB GLN 109 HB2 GLN 109 0.460 12.837 -1.973 779 2HB GLN 109 HB1 GLN 109 -0.975 11.894 -2.345 780 1HG GLN 109 HG2 GLN 109 -1.753 14.016 -2.663 781 2HG GLN 109 HG1 GLN 109 -2.197 13.749 -0.978 782 1HE2 GLN 109 HE21 GLN 109 0.390 15.062 -3.002 783 2HE2 GLN 109 HE22 GLN 109 0.839 16.328 -1.915 784 H GLY 110 HN GLY 110 -1.207 9.592 -0.889 785 1HA GLY 110 HA2 GLY 110 -2.900 8.314 0.297 786 2HA GLY 110 HA1 GLY 110 -3.756 9.820 0.581 787 H THR 111 HN THR 111 -4.721 7.353 -0.625 788 HA THR 111 HA THR 111 -5.803 8.531 -3.064 789 HB THR 111 HB THR 111 -4.052 7.247 -4.020 790 HG1 THR 111 HG1 THR 111 -6.305 5.531 -4.055 791 1HG2 THR 111 HG21 THR 111 -3.215 5.854 -2.367 792 2HG2 THR 111 HG22 THR 111 -3.934 4.740 -3.530 793 3HG2 THR 111 HG23 THR 111 -4.791 5.132 -2.040 794 H GLN 112 HN GLN 112 -7.883 8.639 -2.454 795 HA GLN 112 HA GLN 112 -9.131 6.834 -0.697 796 1HB GLN 112 HB2 GLN 112 -10.195 8.875 -0.762 797 2HB GLN 112 HB1 GLN 112 -10.078 9.007 -2.502 798 1HG GLN 112 HG2 GLN 112 -12.289 8.629 -2.372 799 2HG GLN 112 HG1 GLN 112 -11.775 6.945 -2.351 800 1HE2 GLN 112 HE21 GLN 112 -10.767 6.825 0.234 801 2HE2 GLN 112 HE22 GLN 112 -12.071 6.984 1.344 802 H VAL 113 HN VAL 113 -10.430 5.114 -0.987 803 HA VAL 113 HA VAL 113 -10.594 3.998 -3.707 804 HB VAL 113 HB VAL 113 -10.157 2.638 -1.057 805 1HG1 VAL 113 HG11 VAL 113 -10.097 0.547 -2.673 806 2HG1 VAL 113 HG12 VAL 113 -11.215 1.534 -3.614 807 3HG1 VAL 113 HG13 VAL 113 -11.607 1.101 -1.950 808 1HG2 VAL 113 HG21 VAL 113 -8.106 1.896 -1.950 809 2HG2 VAL 113 HG22 VAL 113 -8.226 3.601 -2.384 810 3HG2 VAL 113 HG23 VAL 113 -8.563 2.358 -3.590 811 H THR 114 HN THR 114 -12.596 3.525 -4.424 812 HA THR 114 HA THR 114 -14.796 3.580 -2.477 813 HB THR 114 HB THR 114 -14.748 4.437 -5.372 814 HG1 THR 114 HG1 THR 114 -15.271 6.465 -4.431 815 1HG2 THR 114 HG21 THR 114 -17.071 4.348 -3.464 816 2HG2 THR 114 HG22 THR 114 -16.907 3.476 -4.988 817 3HG2 THR 114 HG23 THR 114 -17.056 5.233 -4.989 818 H VAL 115 HN VAL 115 -16.158 1.882 -2.384 819 HA VAL 115 HA VAL 115 -16.079 -0.104 -4.535 820 HB VAL 115 HB VAL 115 -16.317 -1.031 -1.699 821 1HG1 VAL 115 HG11 VAL 115 -14.952 -2.934 -2.977 822 2HG1 VAL 115 HG12 VAL 115 -15.762 -2.198 -4.361 823 3HG1 VAL 115 HG13 VAL 115 -16.712 -2.832 -3.018 824 1HG2 VAL 115 HG21 VAL 115 -13.806 -1.513 -1.840 825 2HG2 VAL 115 HG22 VAL 115 -14.299 0.141 -1.474 826 3HG2 VAL 115 HG23 VAL 115 -13.769 -0.281 -3.102 827 H SER 116 HN SER 116 -17.926 -1.667 -4.289 828 HA SER 116 HA SER 116 -20.270 -0.562 -2.955 829 1HB SER 116 HB2 SER 116 -20.115 0.383 -5.316 830 2HB SER 116 HB1 SER 116 -20.393 -1.261 -5.891 831 HG SER 116 HG SER 116 -22.114 0.367 -4.341 832 H SER 117 HN SER 117 -22.195 -2.187 -4.116 833 HA SER 117 HA SER 117 -21.226 -4.929 -3.753 834 1HB SER 117 HB2 SER 117 -23.685 -3.865 -2.346 835 2HB SER 117 HB1 SER 117 -22.991 -5.480 -2.198 836 HG SER 117 HG SER 117 -21.044 -4.287 -1.433 Start of MODEL 8 1 1H GLN 1 HT1 GLN 1 12.972 9.167 4.533 2 2H GLN 1 HT2 GLN 1 11.558 10.138 4.559 3 3H GLN 1 HT3 GLN 1 12.724 10.283 5.809 4 HA GLN 1 HA GLN 1 13.035 12.099 4.443 5 1HB GLN 1 HB2 GLN 1 14.956 9.841 4.284 6 2HB GLN 1 HB1 GLN 1 15.253 11.199 3.208 7 1HG GLN 1 HG2 GLN 1 14.774 12.452 5.584 8 2HG GLN 1 HG1 GLN 1 15.594 10.978 6.098 9 1HE2 GLN 1 HE21 GLN 1 15.872 13.962 4.366 10 2HE2 GLN 1 HE22 GLN 1 17.588 13.927 4.163 11 H VAL 2 HN VAL 2 13.015 9.124 2.496 12 HA VAL 2 HA VAL 2 12.977 10.444 -0.005 13 HB VAL 2 HB VAL 2 12.142 8.168 -0.799 14 1HG1 VAL 2 HG11 VAL 2 14.424 8.715 -1.081 15 2HG1 VAL 2 HG12 VAL 2 14.386 7.110 -0.351 16 3HG1 VAL 2 HG13 VAL 2 14.751 8.521 0.641 17 1HG2 VAL 2 HG21 VAL 2 11.486 7.751 1.781 18 2HG2 VAL 2 HG22 VAL 2 13.064 6.965 1.715 19 3HG2 VAL 2 HG23 VAL 2 11.779 6.459 0.617 20 H GLN 3 HN GLN 3 11.265 10.751 -1.444 21 HA GLN 3 HA GLN 3 8.753 11.386 -0.216 22 1HB GLN 3 HB2 GLN 3 9.364 11.363 -3.168 23 2HB GLN 3 HB1 GLN 3 8.122 12.287 -2.336 24 1HG GLN 3 HG2 GLN 3 9.589 13.863 -1.592 25 2HG GLN 3 HG1 GLN 3 10.952 12.744 -1.569 26 1HE2 GLN 3 HE21 GLN 3 8.662 13.985 -3.987 27 2HE2 GLN 3 HE22 GLN 3 9.860 14.383 -5.166 28 H LEU 4 HN LEU 4 6.677 10.699 -1.381 29 HA LEU 4 HA LEU 4 6.706 8.059 -2.543 30 1HB LEU 4 HB2 LEU 4 5.739 8.561 0.247 31 2HB LEU 4 HB1 LEU 4 5.002 7.306 -0.730 32 HG LEU 4 HG LEU 4 7.676 6.744 -0.999 33 1HD1 LEU 4 HD11 LEU 4 7.180 7.978 1.681 34 2HD1 LEU 4 HD12 LEU 4 8.551 8.185 0.591 35 3HD1 LEU 4 HD13 LEU 4 8.359 6.680 1.490 36 1HD2 LEU 4 HD21 LEU 4 5.668 5.698 0.990 37 2HD2 LEU 4 HD22 LEU 4 7.207 4.918 0.624 38 3HD2 LEU 4 HD23 LEU 4 5.983 5.087 -0.634 39 H GLN 5 HN GLN 5 5.267 8.137 -4.120 40 HA GLN 5 HA GLN 5 2.798 9.695 -3.712 41 1HB GLN 5 HB2 GLN 5 4.075 9.286 -6.407 42 2HB GLN 5 HB1 GLN 5 2.845 10.455 -5.948 43 1HG GLN 5 HG2 GLN 5 4.886 11.178 -4.316 44 2HG GLN 5 HG1 GLN 5 5.763 10.596 -5.731 45 1HE2 GLN 5 HE21 GLN 5 6.476 12.536 -6.465 46 2HE2 GLN 5 HE22 GLN 5 5.437 13.786 -7.049 47 H GLU 6 HN GLU 6 0.997 8.969 -5.184 48 HA GLU 6 HA GLU 6 1.076 6.035 -5.469 49 1HB GLU 6 HB2 GLU 6 -1.614 7.102 -5.357 50 2HB GLU 6 HB1 GLU 6 -0.865 5.865 -4.362 51 1HG GLU 6 HG2 GLU 6 -0.488 8.809 -3.891 52 2HG GLU 6 HG1 GLU 6 -1.769 7.858 -3.140 53 H SER 7 HN SER 7 -0.422 5.158 -7.133 54 HA SER 7 HA SER 7 -1.365 6.847 -9.225 55 1HB SER 7 HB2 SER 7 1.311 6.494 -9.405 56 2HB SER 7 HB1 SER 7 0.755 5.081 -10.301 57 HG SER 7 HG SER 7 0.214 6.346 -11.881 58 H GLY 8 HN GLY 8 -2.957 5.830 -10.284 59 1HA GLY 8 HA2 GLY 8 -3.775 3.879 -11.466 60 2HA GLY 8 HA1 GLY 8 -2.970 2.880 -10.266 61 H GLY 9 HN GLY 9 -3.932 4.636 -8.060 62 1HA GLY 9 HA2 GLY 9 -6.143 3.216 -7.264 63 2HA GLY 9 HA1 GLY 9 -5.700 4.792 -6.633 64 H GLY 10 HN GLY 10 -8.308 4.020 -6.805 65 1HA GLY 10 HA2 GLY 10 -9.651 6.128 -7.832 66 2HA GLY 10 HA1 GLY 10 -9.506 5.057 -9.218 67 H LEU 11 HN LEU 11 -11.969 5.673 -8.443 68 HA LEU 11 HA LEU 11 -13.092 3.996 -6.498 69 1HB LEU 11 HB2 LEU 11 -14.474 5.268 -8.847 70 2HB LEU 11 HB1 LEU 11 -15.226 4.706 -7.362 71 HG LEU 11 HG LEU 11 -13.271 6.469 -6.507 72 1HD1 LEU 11 HD11 LEU 11 -13.464 7.085 -9.106 73 2HD1 LEU 11 HD12 LEU 11 -13.140 8.282 -7.852 74 3HD1 LEU 11 HD13 LEU 11 -14.778 8.077 -8.474 75 1HD2 LEU 11 HD21 LEU 11 -15.949 7.618 -6.862 76 2HD2 LEU 11 HD22 LEU 11 -15.001 7.375 -5.394 77 3HD2 LEU 11 HD23 LEU 11 -15.923 6.038 -6.081 78 H VAL 12 HN VAL 12 -13.991 2.004 -6.618 79 HA VAL 12 HA VAL 12 -14.458 0.725 -9.176 80 HB VAL 12 HB VAL 12 -12.095 0.258 -8.842 81 1HG1 VAL 12 HG11 VAL 12 -12.820 -1.206 -6.317 82 2HG1 VAL 12 HG12 VAL 12 -12.226 0.455 -6.324 83 3HG1 VAL 12 HG13 VAL 12 -11.213 -0.848 -6.948 84 1HG2 VAL 12 HG21 VAL 12 -12.154 -2.094 -9.164 85 2HG2 VAL 12 HG22 VAL 12 -13.658 -1.451 -9.824 86 3HG2 VAL 12 HG23 VAL 12 -13.654 -2.248 -8.250 87 H GLN 13 HN GLN 13 -16.206 -0.537 -9.044 88 HA GLN 13 HA GLN 13 -17.665 -0.812 -6.660 89 1HB GLN 13 HB2 GLN 13 -17.913 -1.742 -9.436 90 2HB GLN 13 HB1 GLN 13 -18.775 -2.678 -8.232 91 1HG GLN 13 HG2 GLN 13 -19.584 -0.296 -7.457 92 2HG GLN 13 HG1 GLN 13 -19.202 0.115 -9.129 93 1HE2 GLN 13 HE21 GLN 13 -21.765 0.299 -8.162 94 2HE2 GLN 13 HE22 GLN 13 -22.751 -0.908 -8.906 95 H ALA 14 HN ALA 14 -18.133 -2.641 -5.402 96 HA ALA 14 HA ALA 14 -16.047 -4.209 -4.584 97 1HB ALA 14 HB1 ALA 14 -18.034 -5.805 -3.851 98 2HB ALA 14 HB2 ALA 14 -18.992 -4.395 -4.303 99 3HB ALA 14 HB3 ALA 14 -17.741 -4.252 -3.068 100 H GLY 15 HN GLY 15 -15.316 -6.278 -4.987 101 1HA GLY 15 HA2 GLY 15 -15.291 -8.380 -6.050 102 2HA GLY 15 HA1 GLY 15 -16.571 -7.829 -7.120 103 H GLY 16 HN GLY 16 -14.753 -5.290 -7.394 104 1HA GLY 16 HA2 GLY 16 -13.305 -6.368 -9.697 105 2HA GLY 16 HA1 GLY 16 -13.659 -4.674 -9.397 106 H SER 17 HN SER 17 -11.169 -6.592 -9.773 107 HA SER 17 HA SER 17 -9.576 -6.134 -7.468 108 1HB SER 17 HB2 SER 17 -9.156 -7.231 -10.175 109 2HB SER 17 HB1 SER 17 -7.726 -6.586 -9.377 110 HG SER 17 HG SER 17 -7.859 -8.680 -8.744 111 H LEU 18 HN LEU 18 -8.220 -4.507 -6.955 112 HA LEU 18 HA LEU 18 -7.962 -2.300 -8.888 113 1HB LEU 18 HB2 LEU 18 -9.410 -1.723 -6.987 114 2HB LEU 18 HB1 LEU 18 -8.117 -2.137 -5.876 115 HG LEU 18 HG LEU 18 -6.806 -0.314 -7.281 116 1HD1 LEU 18 HD11 LEU 18 -8.197 0.517 -8.855 117 2HD1 LEU 18 HD12 LEU 18 -8.722 1.540 -7.518 118 3HD1 LEU 18 HD13 LEU 18 -9.651 0.103 -7.947 119 1HD2 LEU 18 HD21 LEU 18 -7.794 1.397 -5.621 120 2HD2 LEU 18 HD22 LEU 18 -6.955 -0.017 -4.983 121 3HD2 LEU 18 HD23 LEU 18 -8.718 0.027 -5.003 122 H ARG 19 HN ARG 19 -5.944 -1.634 -9.358 123 HA ARG 19 HA ARG 19 -3.747 -2.810 -7.787 124 1HB ARG 19 HB2 ARG 19 -4.049 -3.524 -10.213 125 2HB ARG 19 HB1 ARG 19 -3.549 -1.896 -10.648 126 1HG ARG 19 HG2 ARG 19 -1.384 -2.249 -10.057 127 2HG ARG 19 HG1 ARG 19 -1.803 -3.409 -8.794 128 1HD ARG 19 HD2 ARG 19 -2.614 -4.777 -10.959 129 2HD ARG 19 HD1 ARG 19 -1.314 -3.828 -11.678 130 HE ARG 19 HE ARG 19 -1.052 -5.992 -9.798 131 1HH1 ARG 19 HH11 ARG 19 0.471 -3.148 -11.130 132 2HH1 ARG 19 HH12 ARG 19 2.074 -3.668 -10.731 133 1HH2 ARG 19 HH21 ARG 19 1.055 -6.676 -9.273 134 2HH2 ARG 19 HH22 ARG 19 2.406 -5.670 -9.677 135 H LEU 20 HN LEU 20 -2.704 -1.398 -6.563 136 HA LEU 20 HA LEU 20 -2.582 1.405 -7.432 137 1HB LEU 20 HB2 LEU 20 -1.975 0.433 -4.657 138 2HB LEU 20 HB1 LEU 20 -2.382 2.055 -5.179 139 HG LEU 20 HG LEU 20 -4.269 -0.295 -5.041 140 1HD1 LEU 20 HD11 LEU 20 -3.528 1.827 -3.191 141 2HD1 LEU 20 HD12 LEU 20 -4.417 0.331 -2.906 142 3HD1 LEU 20 HD13 LEU 20 -5.262 1.757 -3.506 143 1HD2 LEU 20 HD21 LEU 20 -5.852 1.836 -5.420 144 2HD2 LEU 20 HD22 LEU 20 -5.263 0.818 -6.735 145 3HD2 LEU 20 HD23 LEU 20 -4.448 2.337 -6.362 146 H SER 21 HN SER 21 -0.668 2.408 -7.674 147 HA SER 21 HA SER 21 1.770 0.843 -7.165 148 1HB SER 21 HB2 SER 21 2.738 1.729 -9.216 149 2HB SER 21 HB1 SER 21 1.217 0.913 -9.581 150 HG SER 21 HG SER 21 1.767 3.215 -10.403 151 H CYS 22 HN CYS 22 3.077 1.811 -5.762 152 HA CYS 22 HA CYS 22 3.021 4.754 -5.619 153 1HB CYS 22 HB2 CYS 22 2.106 3.895 -3.579 154 2HB CYS 22 HB1 CYS 22 3.416 2.737 -3.409 155 H ALA 23 HN ALA 23 4.866 5.806 -5.900 156 HA ALA 23 HA ALA 23 7.332 4.210 -6.132 157 1HB ALA 23 HB1 ALA 23 7.123 5.073 -8.229 158 2HB ALA 23 HB2 ALA 23 8.016 6.390 -7.470 159 3HB ALA 23 HB3 ALA 23 6.269 6.512 -7.674 160 H ALA 24 HN ALA 24 9.275 5.017 -5.298 161 HA ALA 24 HA ALA 24 8.942 7.124 -3.264 162 1HB ALA 24 HB1 ALA 24 10.104 5.910 -1.758 163 2HB ALA 24 HB2 ALA 24 11.192 5.242 -2.975 164 3HB ALA 24 HB3 ALA 24 9.581 4.557 -2.760 165 H SER 25 HN SER 25 11.546 7.589 -2.609 166 HA SER 25 HA SER 25 12.546 8.867 -5.051 167 1HB SER 25 HB2 SER 25 12.863 9.459 -2.122 168 2HB SER 25 HB1 SER 25 14.009 10.111 -3.292 169 HG SER 25 HG SER 25 11.211 10.417 -3.574 170 H GLY 26 HN GLY 26 14.705 8.698 -5.691 171 1HA GLY 26 HA2 GLY 26 15.949 6.184 -4.975 172 2HA GLY 26 HA1 GLY 26 16.479 7.292 -6.231 173 H ARG 27 HN ARG 27 16.269 7.044 -2.686 174 HA ARG 27 HA ARG 27 19.026 7.609 -2.336 175 1HB ARG 27 HB2 ARG 27 18.281 9.882 -2.919 176 2HB ARG 27 HB1 ARG 27 17.108 9.832 -1.611 177 1HG ARG 27 HG2 ARG 27 18.733 10.918 -0.499 178 2HG ARG 27 HG1 ARG 27 19.338 9.282 -0.229 179 1HD ARG 27 HD2 ARG 27 20.160 10.845 -2.649 180 2HD ARG 27 HD1 ARG 27 20.964 11.096 -1.099 181 HE ARG 27 HE ARG 27 21.011 8.389 -1.479 182 1HH1 ARG 27 HH11 ARG 27 22.120 11.157 -3.291 183 2HH1 ARG 27 HH12 ARG 27 23.441 10.308 -4.021 184 1HH2 ARG 27 HH21 ARG 27 22.748 7.269 -2.437 185 2HH2 ARG 27 HH22 ARG 27 23.796 8.099 -3.538 186 H THR 28 HN THR 28 18.475 5.592 -1.206 187 HA THR 28 HA THR 28 18.050 6.109 1.599 188 HB THR 28 HB THR 28 15.740 5.839 0.773 189 HG1 THR 28 HG1 THR 28 15.157 4.293 2.283 190 1HG2 THR 28 HG21 THR 28 15.105 4.292 -0.666 191 2HG2 THR 28 HG22 THR 28 15.753 3.009 0.356 192 3HG2 THR 28 HG23 THR 28 16.792 3.804 -0.826 193 H GLY 29 HN GLY 29 17.715 3.564 2.537 194 1HA GLY 29 HA2 GLY 29 18.732 1.320 1.870 195 2HA GLY 29 HA1 GLY 29 20.183 2.268 1.605 196 H SER 30 HN SER 30 17.860 2.663 4.222 197 HA SER 30 HA SER 30 19.914 1.746 6.119 198 1HB SER 30 HB2 SER 30 19.164 4.357 5.819 199 2HB SER 30 HB1 SER 30 18.070 3.824 7.094 200 HG SER 30 HG SER 30 20.067 2.947 8.099 201 H THR 31 HN THR 31 18.206 -0.104 5.358 202 HA THR 31 HA THR 31 16.804 -1.686 6.216 203 HB THR 31 HB THR 31 16.338 0.057 8.628 204 HG1 THR 31 HG1 THR 31 18.493 -0.020 8.638 205 1HG2 THR 31 HG21 THR 31 16.677 -2.491 9.502 206 2HG2 THR 31 HG22 THR 31 15.869 -2.746 7.955 207 3HG2 THR 31 HG23 THR 31 15.120 -1.726 9.184 208 H TYR 32 HN TYR 32 15.991 1.038 4.928 209 HA TYR 32 HA TYR 32 13.331 1.536 5.751 210 1HB TYR 32 HB2 TYR 32 13.996 3.363 4.618 211 2HB TYR 32 HB1 TYR 32 15.209 2.474 3.723 212 HD1 TYR 32 HD1 TYR 32 12.159 4.234 3.483 213 HD2 TYR 32 HD2 TYR 32 14.319 1.005 1.748 214 HE1 TYR 32 HE1 TYR 32 10.817 4.442 1.432 215 HE2 TYR 32 HE2 TYR 32 12.981 1.202 -0.304 216 HH TYR 32 HH TYR 32 10.956 2.083 -1.108 217 H ASP 33 HN ASP 33 11.386 0.965 4.772 218 HA ASP 33 HA ASP 33 11.497 -1.233 2.818 219 1HB ASP 33 HB2 ASP 33 9.519 -1.094 5.099 220 2HB ASP 33 HB1 ASP 33 9.762 -2.425 3.972 221 H MET 34 HN MET 34 8.815 -1.616 2.401 222 HA MET 34 HA MET 34 7.610 0.977 1.862 223 1HB MET 34 HB2 MET 34 9.072 -0.387 -0.129 224 2HB MET 34 HB1 MET 34 7.374 -0.597 -0.534 225 1HG MET 34 HG2 MET 34 7.423 2.039 0.047 226 2HG MET 34 HG1 MET 34 9.051 1.811 -0.588 227 1HE MET 34 HE1 MET 34 5.995 3.256 -1.590 228 2HE MET 34 HE2 MET 34 6.340 3.303 -3.319 229 3HE MET 34 HE3 MET 34 7.564 3.823 -2.161 230 H GLY 35 HN GLY 35 5.544 0.855 2.441 231 1HA GLY 35 HA2 GLY 35 4.032 -1.571 1.805 232 2HA GLY 35 HA1 GLY 35 4.096 -1.067 3.486 233 H TRP 36 HN TRP 36 1.672 -1.308 2.329 234 HA TRP 36 HA TRP 36 0.840 1.407 1.629 235 1HB TRP 36 HB2 TRP 36 -0.369 -1.285 1.134 236 2HB TRP 36 HB1 TRP 36 -1.280 0.192 0.918 237 HD1 TRP 36 HD1 TRP 36 1.711 -1.711 -0.557 238 HE1 TRP 36 HE1 TRP 36 2.116 -0.864 -2.953 239 HE3 TRP 36 HE3 TRP 36 -1.653 2.139 -0.637 240 HZ2 TRP 36 HZ2 TRP 36 1.139 1.165 -4.654 241 HZ3 TRP 36 HZ3 TRP 36 -1.856 3.484 -2.687 242 HH2 TRP 36 HH2 TRP 36 -0.490 3.007 -4.652 243 H PHE 37 HN PHE 37 -1.194 2.176 2.499 244 HA PHE 37 HA PHE 37 -1.965 0.963 5.041 245 1HB PHE 37 HB2 PHE 37 -0.831 3.665 4.556 246 2HB PHE 37 HB1 PHE 37 -2.160 3.552 5.691 247 HD1 PHE 37 HD1 PHE 37 1.301 2.604 5.014 248 HD2 PHE 37 HD2 PHE 37 -1.889 2.473 7.823 249 HE1 PHE 37 HE1 PHE 37 2.883 1.916 6.769 250 HE2 PHE 37 HE2 PHE 37 -0.316 1.786 9.585 251 HZ PHE 37 HZ PHE 37 2.074 1.507 9.059 252 H ARG 38 HN ARG 38 -3.922 2.358 5.912 253 HA ARG 38 HA ARG 38 -5.630 3.427 3.855 254 1HB ARG 38 HB2 ARG 38 -7.442 1.826 4.190 255 2HB ARG 38 HB1 ARG 38 -6.006 1.019 3.581 256 1HG ARG 38 HG2 ARG 38 -5.510 0.137 5.753 257 2HG ARG 38 HG1 ARG 38 -6.813 1.082 6.478 258 1HD ARG 38 HD2 ARG 38 -7.476 -0.785 4.258 259 2HD ARG 38 HD1 ARG 38 -7.136 -1.462 5.850 260 HE ARG 38 HE ARG 38 -8.932 0.484 6.385 261 1HH1 ARG 38 HH11 ARG 38 -8.910 -2.175 4.125 262 2HH1 ARG 38 HH12 ARG 38 -10.631 -2.373 4.148 263 1HH2 ARG 38 HH21 ARG 38 -11.194 0.227 6.418 264 2HH2 ARG 38 HH22 ARG 38 -11.928 -1.008 5.450 265 H GLN 39 HN GLN 39 -7.535 4.462 4.735 266 HA GLN 39 HA GLN 39 -7.888 4.497 7.596 267 1HB GLN 39 HB2 GLN 39 -6.056 6.035 7.474 268 2HB GLN 39 HB1 GLN 39 -6.794 6.899 6.136 269 1HG GLN 39 HG2 GLN 39 -6.998 8.177 8.166 270 2HG GLN 39 HG1 GLN 39 -8.589 7.651 7.630 271 1HE2 GLN 39 HE21 GLN 39 -7.427 8.410 10.275 272 2HE2 GLN 39 HE22 GLN 39 -7.883 7.117 11.317 273 H ALA 40 HN ALA 40 -9.991 4.528 7.902 274 HA ALA 40 HA ALA 40 -11.722 5.793 5.895 275 1HB ALA 40 HB1 ALA 40 -12.888 3.907 6.064 276 2HB ALA 40 HB2 ALA 40 -13.300 4.357 7.718 277 3HB ALA 40 HB3 ALA 40 -11.884 3.354 7.403 278 HA PRO 41 HA PRO 41 -13.127 8.891 8.689 279 1HB PRO 41 HB2 PRO 41 -15.825 8.921 8.442 280 2HB PRO 41 HB1 PRO 41 -14.747 9.476 7.156 281 1HG PRO 41 HG2 PRO 41 -16.153 6.851 7.448 282 2HG PRO 41 HG1 PRO 41 -15.943 7.852 6.000 283 1HD PRO 41 HD2 PRO 41 -14.415 5.663 6.526 284 2HD PRO 41 HD1 PRO 41 -13.818 7.063 5.612 285 H GLY 42 HN GLY 42 -13.501 9.174 10.790 286 1HA GLY 42 HA2 GLY 42 -14.131 8.722 12.956 287 2HA GLY 42 HA1 GLY 42 -15.345 7.626 12.310 288 H LYS 43 HN LYS 43 -12.424 6.758 10.996 289 HA LYS 43 HA LYS 43 -11.961 4.756 13.094 290 1HB LYS 43 HB2 LYS 43 -12.878 4.201 10.682 291 2HB LYS 43 HB1 LYS 43 -11.182 4.327 10.251 292 1HG LYS 43 HG2 LYS 43 -11.452 2.066 10.673 293 2HG LYS 43 HG1 LYS 43 -10.788 2.676 12.190 294 1HD LYS 43 HD2 LYS 43 -12.627 2.111 13.330 295 2HD LYS 43 HD1 LYS 43 -13.691 2.820 12.114 296 1HE LYS 43 HE2 LYS 43 -13.134 0.726 10.722 297 2HE LYS 43 HE1 LYS 43 -12.556 0.047 12.242 298 1HZ LYS 43 HZ1 LYS 43 -14.661 0.055 13.146 299 2HZ LYS 43 HZ2 LYS 43 -14.989 -0.336 11.533 300 3HZ LYS 43 HZ3 LYS 43 -15.244 1.241 12.088 301 H GLU 44 HN GLU 44 -9.766 3.988 13.277 302 HA GLU 44 HA GLU 44 -7.840 6.141 12.992 303 1HB GLU 44 HB2 GLU 44 -7.259 3.419 14.136 304 2HB GLU 44 HB1 GLU 44 -6.464 4.947 14.489 305 1HG GLU 44 HG2 GLU 44 -8.917 5.565 15.319 306 2HG GLU 44 HG1 GLU 44 -8.976 3.820 15.561 307 H ARG 45 HN ARG 45 -5.708 5.774 12.050 308 HA ARG 45 HA ARG 45 -5.897 4.526 9.504 309 1HB ARG 45 HB2 ARG 45 -4.327 6.494 10.513 310 2HB ARG 45 HB1 ARG 45 -3.198 5.147 10.516 311 1HG ARG 45 HG2 ARG 45 -4.437 5.028 8.027 312 2HG ARG 45 HG1 ARG 45 -4.148 6.744 8.314 313 1HD ARG 45 HD2 ARG 45 -1.814 5.412 9.134 314 2HD ARG 45 HD1 ARG 45 -2.284 4.672 7.603 315 HE ARG 45 HE ARG 45 -1.137 7.222 7.944 316 1HH1 ARG 45 HH11 ARG 45 -3.614 5.596 6.101 317 2HH1 ARG 45 HH12 ARG 45 -3.501 6.680 4.756 318 1HH2 ARG 45 HH21 ARG 45 -0.985 8.649 6.177 319 2HH2 ARG 45 HH22 ARG 45 -2.009 8.416 4.800 320 H GLU 46 HN GLU 46 -4.923 2.716 8.707 321 HA GLU 46 HA GLU 46 -3.375 0.993 10.449 322 1HB GLU 46 HB2 GLU 46 -4.826 -0.890 10.301 323 2HB GLU 46 HB1 GLU 46 -5.803 0.469 10.834 324 1HG GLU 46 HG2 GLU 46 -7.166 0.276 9.103 325 2HG GLU 46 HG1 GLU 46 -5.824 0.258 7.963 326 H SER 47 HN SER 47 -2.115 -0.519 9.314 327 HA SER 47 HA SER 47 -1.568 0.196 6.614 328 1HB SER 47 HB2 SER 47 0.363 -0.338 7.743 329 2HB SER 47 HB1 SER 47 -0.378 -1.674 8.611 330 HG SER 47 HG SER 47 0.658 -1.589 6.008 331 H VAL 48 HN VAL 48 -1.115 -1.643 5.067 332 HA VAL 48 HA VAL 48 -3.346 -3.563 5.063 333 HB VAL 48 HB VAL 48 -2.309 -2.219 2.594 334 1HG1 VAL 48 HG11 VAL 48 -3.369 -3.999 1.718 335 2HG1 VAL 48 HG12 VAL 48 -4.817 -3.042 2.031 336 3HG1 VAL 48 HG13 VAL 48 -4.314 -4.282 3.180 337 1HG2 VAL 48 HG21 VAL 48 -4.040 -0.658 2.645 338 2HG2 VAL 48 HG22 VAL 48 -3.449 -0.683 4.306 339 3HG2 VAL 48 HG23 VAL 48 -4.927 -1.547 3.883 340 H ALA 49 HN ALA 49 -0.377 -2.827 3.224 341 HA ALA 49 HA ALA 49 0.651 -5.480 3.785 342 1HB ALA 49 HB1 ALA 49 1.064 -5.844 1.287 343 2HB ALA 49 HB2 ALA 49 -0.176 -4.617 1.031 344 3HB ALA 49 HB3 ALA 49 -0.573 -6.107 1.888 345 H ALA 50 HN ALA 50 2.729 -5.304 4.207 346 HA ALA 50 HA ALA 50 4.240 -3.119 2.933 347 1HB ALA 50 HB1 ALA 50 5.464 -3.953 5.375 348 2HB ALA 50 HB2 ALA 50 3.765 -3.574 5.665 349 3HB ALA 50 HB3 ALA 50 4.826 -2.369 4.933 350 H ILE 51 HN ILE 51 6.367 -3.533 2.300 351 HA ILE 51 HA ILE 51 7.220 -6.339 2.442 352 HB ILE 51 HB ILE 51 6.229 -5.895 0.238 353 1HG1 ILE 51 HG12 ILE 51 8.477 -6.422 -1.069 354 2HG1 ILE 51 HG11 ILE 51 9.111 -6.587 0.565 355 1HG2 ILE 51 HG21 ILE 51 8.268 -4.350 -0.980 356 2HG2 ILE 51 HG22 ILE 51 7.692 -3.472 0.436 357 3HG2 ILE 51 HG23 ILE 51 6.554 -3.973 -0.814 358 1HD1 ILE 51 HD11 ILE 51 8.473 -8.742 -0.134 359 2HD1 ILE 51 HD12 ILE 51 6.918 -8.167 -0.737 360 3HD1 ILE 51 HD13 ILE 51 7.231 -8.206 0.998 361 H ASN 52 HN ASN 52 9.377 -6.700 2.667 362 HA ASN 52 HA ASN 52 10.968 -4.591 3.695 363 1HB ASN 52 HB2 ASN 52 11.890 -7.342 2.871 364 2HB ASN 52 HB1 ASN 52 12.608 -6.279 4.064 365 1HD2 ASN 52 HD21 ASN 52 10.542 -5.476 5.566 366 2HD2 ASN 52 HD22 ASN 52 9.794 -6.822 6.348 367 H TRP 53 HN TRP 53 13.293 -4.327 2.878 368 HA TRP 53 HA TRP 53 13.159 -3.826 -0.008 369 1HB TRP 53 HB2 TRP 53 13.695 -1.967 1.644 370 2HB TRP 53 HB1 TRP 53 15.238 -2.772 1.909 371 HD1 TRP 53 HD1 TRP 53 17.076 -1.599 0.586 372 HE1 TRP 53 HE1 TRP 53 17.271 -0.476 -1.722 373 HE3 TRP 53 HE3 TRP 53 12.256 -2.187 -1.013 374 HZ2 TRP 53 HZ2 TRP 53 15.602 0.085 -3.929 375 HZ3 TRP 53 HZ3 TRP 53 11.636 -1.329 -3.234 376 HH2 TRP 53 HH2 TRP 53 13.276 -0.216 -4.661 377 H ASP 54 HN ASP 54 13.685 -6.470 1.120 378 HA ASP 54 HA ASP 54 16.230 -6.962 -0.239 379 1HB ASP 54 HB2 ASP 54 16.667 -6.850 2.215 380 2HB ASP 54 HB1 ASP 54 15.540 -8.185 2.440 381 H SER 55 HN SER 55 13.176 -7.449 -0.538 382 HA SER 55 HA SER 55 11.778 -9.075 -1.310 383 1HB SER 55 HB2 SER 55 12.616 -10.341 -3.116 384 2HB SER 55 HB1 SER 55 13.634 -8.901 -3.084 385 HG SER 55 HG SER 55 14.246 -11.511 -2.191 386 H ALA 56 HN ALA 56 12.477 -9.498 1.331 387 HA ALA 56 HA ALA 56 13.114 -12.332 1.588 388 1HB ALA 56 HB1 ALA 56 14.281 -10.872 3.096 389 2HB ALA 56 HB2 ALA 56 13.147 -11.854 4.023 390 3HB ALA 56 HB3 ALA 56 12.763 -10.171 3.658 391 H ARG 57 HN ARG 57 10.692 -10.185 3.097 392 HA ARG 57 HA ARG 57 8.563 -12.029 2.420 393 1HB ARG 57 HB2 ARG 57 9.719 -12.776 4.619 394 2HB ARG 57 HB1 ARG 57 8.925 -11.379 5.331 395 1HG ARG 57 HG2 ARG 57 7.565 -13.276 5.750 396 2HG ARG 57 HG1 ARG 57 6.750 -12.301 4.528 397 1HD ARG 57 HD2 ARG 57 8.116 -13.892 2.900 398 2HD ARG 57 HD1 ARG 57 8.036 -14.967 4.294 399 HE ARG 57 HE ARG 57 5.499 -13.829 3.580 400 1HH1 ARG 57 HH11 ARG 57 7.740 -16.427 2.942 401 2HH1 ARG 57 HH12 ARG 57 6.520 -17.497 2.334 402 1HH2 ARG 57 HH21 ARG 57 3.895 -15.233 2.783 403 2HH2 ARG 57 HH22 ARG 57 4.337 -16.819 2.244 404 H THR 58 HN THR 58 6.430 -11.192 3.028 405 HA THR 58 HA THR 58 6.440 -8.256 3.060 406 HB THR 58 HB THR 58 3.889 -9.499 2.409 407 HG1 THR 58 HG1 THR 58 4.773 -11.082 1.316 408 1HG2 THR 58 HG21 THR 58 4.790 -8.178 0.173 409 2HG2 THR 58 HG22 THR 58 5.530 -7.293 1.507 410 3HG2 THR 58 HG23 THR 58 3.780 -7.505 1.452 411 H TYR 59 HN TYR 59 4.106 -7.501 3.904 412 HA TYR 59 HA TYR 59 3.478 -8.891 6.404 413 1HB TYR 59 HB2 TYR 59 5.050 -7.206 7.081 414 2HB TYR 59 HB1 TYR 59 4.232 -5.978 6.125 415 HD1 TYR 59 HD1 TYR 59 3.642 -4.387 7.737 416 HD2 TYR 59 HD2 TYR 59 2.688 -8.479 8.405 417 HE1 TYR 59 HE1 TYR 59 2.292 -3.747 9.688 418 HE2 TYR 59 HE2 TYR 59 1.333 -7.849 10.359 419 HH TYR 59 HH TYR 59 0.498 -4.591 11.044 420 H TYR 60 HN TYR 60 1.538 -9.533 5.359 421 HA TYR 60 HA TYR 60 -0.268 -7.645 4.227 422 1HB TYR 60 HB2 TYR 60 -0.499 -10.528 5.057 423 2HB TYR 60 HB1 TYR 60 -1.891 -9.626 4.476 424 HD1 TYR 60 HD1 TYR 60 -2.196 -9.195 2.158 425 HD2 TYR 60 HD2 TYR 60 1.452 -10.887 3.543 426 HE1 TYR 60 HE1 TYR 60 -1.552 -9.690 -0.162 427 HE2 TYR 60 HE2 TYR 60 2.107 -11.387 1.226 428 HH TYR 60 HH TYR 60 1.619 -10.683 -1.019 429 H ALA 61 HN ALA 61 -2.471 -7.271 5.056 430 HA ALA 61 HA ALA 61 -2.448 -6.984 7.988 431 1HB ALA 61 HB1 ALA 61 -2.410 -4.865 6.694 432 2HB ALA 61 HB2 ALA 61 -3.818 -5.027 7.744 433 3HB ALA 61 HB3 ALA 61 -3.976 -5.301 6.009 434 H SER 62 HN SER 62 -4.608 -7.016 9.025 435 HA SER 62 HA SER 62 -6.020 -9.355 8.272 436 1HB SER 62 HB2 SER 62 -6.415 -7.259 10.391 437 2HB SER 62 HB1 SER 62 -7.646 -8.490 10.112 438 HG SER 62 HG SER 62 -5.820 -10.024 10.345 439 H SER 63 HN SER 63 -8.193 -9.560 7.638 440 HA SER 63 HA SER 63 -10.197 -8.944 6.682 441 1HB SER 63 HB2 SER 63 -9.780 -6.635 7.810 442 2HB SER 63 HB1 SER 63 -9.224 -6.136 6.212 443 HG SER 63 HG SER 63 -11.245 -5.905 5.731 444 H VAL 64 HN VAL 64 -7.072 -8.614 5.460 445 HA VAL 64 HA VAL 64 -8.047 -9.144 2.767 446 HB VAL 64 HB VAL 64 -6.483 -7.569 1.739 447 1HG1 VAL 64 HG11 VAL 64 -7.670 -5.475 2.355 448 2HG1 VAL 64 HG12 VAL 64 -8.424 -6.344 3.691 449 3HG1 VAL 64 HG13 VAL 64 -8.748 -6.832 2.027 450 1HG2 VAL 64 HG21 VAL 64 -5.491 -7.368 4.433 451 2HG2 VAL 64 HG22 VAL 64 -5.903 -5.771 3.808 452 3HG2 VAL 64 HG23 VAL 64 -4.769 -6.796 2.929 453 H ARG 65 HN ARG 65 -6.322 -10.285 5.186 454 HA ARG 65 HA ARG 65 -3.863 -10.925 3.905 455 1HB ARG 65 HB2 ARG 65 -4.548 -10.692 6.476 456 2HB ARG 65 HB1 ARG 65 -4.800 -12.420 6.289 457 1HG ARG 65 HG2 ARG 65 -2.288 -11.563 5.149 458 2HG ARG 65 HG1 ARG 65 -2.422 -11.140 6.856 459 1HD ARG 65 HD2 ARG 65 -3.048 -13.491 7.338 460 2HD ARG 65 HD1 ARG 65 -2.773 -13.879 5.640 461 HE ARG 65 HE ARG 65 -0.512 -13.839 6.025 462 1HH1 ARG 65 HH11 ARG 65 -2.159 -12.404 8.748 463 2HH1 ARG 65 HH12 ARG 65 -0.736 -12.336 9.732 464 1HH2 ARG 65 HH21 ARG 65 1.360 -13.750 7.319 465 2HH2 ARG 65 HH22 ARG 65 1.262 -13.100 8.921 466 H GLY 66 HN GLY 66 -4.692 -11.890 2.034 467 1HA GLY 66 HA2 GLY 66 -4.404 -14.398 1.484 468 2HA GLY 66 HA1 GLY 66 -5.917 -14.530 2.366 469 H ARG 67 HN ARG 67 -6.132 -11.619 0.942 470 HA ARG 67 HA ARG 67 -7.264 -12.725 -1.539 471 1HB ARG 67 HB2 ARG 67 -8.947 -10.810 -1.332 472 2HB ARG 67 HB1 ARG 67 -9.148 -12.191 -0.265 473 1HG ARG 67 HG2 ARG 67 -7.617 -10.602 1.285 474 2HG ARG 67 HG1 ARG 67 -8.510 -9.395 0.361 475 1HD ARG 67 HD2 ARG 67 -10.076 -11.652 1.448 476 2HD ARG 67 HD1 ARG 67 -9.428 -10.514 2.624 477 HE ARG 67 HE ARG 67 -10.721 -8.796 1.635 478 1HH1 ARG 67 HH11 ARG 67 -11.330 -11.937 0.218 479 2HH1 ARG 67 HH12 ARG 67 -12.852 -11.469 -0.457 480 1HH2 ARG 67 HH21 ARG 67 -12.723 -8.192 0.741 481 2HH2 ARG 67 HH22 ARG 67 -13.640 -9.350 -0.163 482 H PHE 68 HN PHE 68 -6.158 -9.690 -0.016 483 HA PHE 68 HA PHE 68 -5.759 -8.354 -2.499 484 1HB PHE 68 HB2 PHE 68 -4.891 -7.799 0.331 485 2HB PHE 68 HB1 PHE 68 -4.354 -6.786 -1.003 486 HD1 PHE 68 HD1 PHE 68 -7.663 -8.211 -1.309 487 HD2 PHE 68 HD2 PHE 68 -5.446 -4.907 0.203 488 HE1 PHE 68 HE1 PHE 68 -9.737 -6.899 -1.146 489 HE2 PHE 68 HE2 PHE 68 -7.517 -3.591 0.368 490 HZ PHE 68 HZ PHE 68 -9.667 -4.584 -0.307 491 H THR 69 HN THR 69 -3.661 -7.623 -3.334 492 HA THR 69 HA THR 69 -1.509 -9.568 -2.806 493 HB THR 69 HB THR 69 -2.200 -8.352 -5.487 494 HG1 THR 69 HG1 THR 69 -3.117 -10.281 -5.981 495 1HG2 THR 69 HG21 THR 69 0.157 -8.953 -5.292 496 2HG2 THR 69 HG22 THR 69 -0.697 -10.004 -6.422 497 3HG2 THR 69 HG23 THR 69 -0.302 -10.584 -4.804 498 H ILE 70 HN ILE 70 0.606 -8.847 -2.947 499 HA ILE 70 HA ILE 70 1.047 -5.969 -3.285 500 HB ILE 70 HB ILE 70 0.785 -6.278 -0.899 501 1HG1 ILE 70 HG12 ILE 70 3.533 -5.969 -0.488 502 2HG1 ILE 70 HG11 ILE 70 3.267 -5.411 -2.136 503 1HG2 ILE 70 HG21 ILE 70 3.044 -8.266 -1.014 504 2HG2 ILE 70 HG22 ILE 70 1.338 -8.707 -0.918 505 3HG2 ILE 70 HG23 ILE 70 2.092 -7.803 0.398 506 1HD1 ILE 70 HD11 ILE 70 1.215 -4.310 -0.556 507 2HD1 ILE 70 HD12 ILE 70 2.562 -3.482 -1.336 508 3HD1 ILE 70 HD13 ILE 70 2.731 -4.079 0.315 509 H SER 71 HN SER 71 2.938 -5.476 -4.300 510 HA SER 71 HA SER 71 5.109 -7.391 -4.396 511 1HB SER 71 HB2 SER 71 5.102 -7.816 -6.703 512 2HB SER 71 HB1 SER 71 3.400 -7.945 -6.260 513 HG SER 71 HG SER 71 4.719 -5.786 -7.531 514 H ARG 72 HN ARG 72 6.695 -6.401 -6.296 515 HA ARG 72 HA ARG 72 6.834 -3.499 -5.928 516 1HB ARG 72 HB2 ARG 72 9.360 -3.821 -5.554 517 2HB ARG 72 HB1 ARG 72 8.279 -4.136 -4.204 518 1HG ARG 72 HG2 ARG 72 9.152 -6.155 -3.995 519 2HG ARG 72 HG1 ARG 72 8.566 -6.565 -5.608 520 1HD ARG 72 HD2 ARG 72 10.957 -6.954 -5.450 521 2HD ARG 72 HD1 ARG 72 10.620 -5.642 -6.578 522 HE ARG 72 HE ARG 72 11.817 -4.251 -5.227 523 1HH1 ARG 72 HH11 ARG 72 10.830 -7.020 -3.349 524 2HH1 ARG 72 HH12 ARG 72 11.735 -6.552 -1.950 525 1HH2 ARG 72 HH21 ARG 72 13.010 -3.633 -3.387 526 2HH2 ARG 72 HH22 ARG 72 12.972 -4.628 -1.970 527 H ASP 73 HN ASP 73 8.360 -2.454 -7.413 528 HA ASP 73 HA ASP 73 8.286 -3.767 -10.010 529 1HB ASP 73 HB2 ASP 73 7.635 -1.283 -9.441 530 2HB ASP 73 HB1 ASP 73 9.368 -1.006 -9.593 531 H ASN 74 HN ASN 74 10.661 -2.292 -7.829 532 HA ASN 74 HA ASN 74 12.893 -2.654 -7.565 533 1HB ASN 74 HB2 ASN 74 12.061 -5.099 -8.097 534 2HB ASN 74 HB1 ASN 74 12.922 -4.836 -9.610 535 1HD2 ASN 74 HD21 ASN 74 13.537 -4.001 -6.215 536 2HD2 ASN 74 HD22 ASN 74 15.121 -4.689 -6.157 537 H ALA 75 HN ALA 75 11.538 -1.288 -10.058 538 HA ALA 75 HA ALA 75 13.986 -1.055 -11.663 539 1HB ALA 75 HB1 ALA 75 11.299 -0.104 -12.580 540 2HB ALA 75 HB2 ALA 75 11.749 -1.804 -12.711 541 3HB ALA 75 HB3 ALA 75 12.702 -0.573 -13.540 542 H LYS 76 HN LYS 76 11.511 0.711 -9.922 543 HA LYS 76 HA LYS 76 13.271 3.041 -9.843 544 1HB LYS 76 HB2 LYS 76 10.331 3.415 -10.364 545 2HB LYS 76 HB1 LYS 76 11.628 4.592 -10.517 546 1HG LYS 76 HG2 LYS 76 12.403 3.642 -12.519 547 2HG LYS 76 HG1 LYS 76 11.467 2.166 -12.274 548 1HD LYS 76 HD2 LYS 76 9.549 3.094 -13.048 549 2HD LYS 76 HD1 LYS 76 9.929 4.686 -12.388 550 1HE LYS 76 HE2 LYS 76 11.680 3.783 -14.571 551 2HE LYS 76 HE1 LYS 76 9.999 4.056 -15.026 552 1HZ LYS 76 HZ1 LYS 76 11.833 6.009 -13.748 553 2HZ LYS 76 HZ2 LYS 76 10.184 6.283 -14.006 554 3HZ LYS 76 HZ3 LYS 76 11.221 6.070 -15.324 555 H LYS 77 HN LYS 77 12.407 0.912 -7.968 556 HA LYS 77 HA LYS 77 11.823 0.686 -5.783 557 1HB LYS 77 HB2 LYS 77 12.195 3.686 -5.811 558 2HB LYS 77 HB1 LYS 77 11.991 2.724 -4.354 559 1HG LYS 77 HG2 LYS 77 14.233 2.731 -4.348 560 2HG LYS 77 HG1 LYS 77 14.044 1.414 -5.507 561 1HD LYS 77 HD2 LYS 77 14.511 2.786 -7.328 562 2HD LYS 77 HD1 LYS 77 14.140 4.262 -6.434 563 1HE LYS 77 HE2 LYS 77 16.560 2.491 -6.166 564 2HE LYS 77 HE1 LYS 77 16.502 4.173 -6.691 565 1HZ LYS 77 HZ1 LYS 77 17.077 4.528 -4.557 566 2HZ LYS 77 HZ2 LYS 77 16.432 3.065 -4.005 567 3HZ LYS 77 HZ3 LYS 77 15.413 4.386 -4.282 568 H THR 78 HN THR 78 9.712 0.450 -7.352 569 HA THR 78 HA THR 78 7.603 2.074 -6.088 570 HB THR 78 HB THR 78 7.723 0.812 -8.828 571 HG1 THR 78 HG1 THR 78 8.650 2.957 -8.369 572 1HG2 THR 78 HG21 THR 78 5.365 2.066 -7.453 573 2HG2 THR 78 HG22 THR 78 5.479 0.452 -8.154 574 3HG2 THR 78 HG23 THR 78 5.492 1.871 -9.201 575 H VAL 79 HN VAL 79 5.648 1.042 -5.524 576 HA VAL 79 HA VAL 79 5.882 -1.874 -5.168 577 HB VAL 79 HB VAL 79 5.985 -0.701 -3.032 578 1HG1 VAL 79 HG11 VAL 79 3.334 0.445 -3.869 579 2HG1 VAL 79 HG12 VAL 79 4.819 1.322 -3.501 580 3HG1 VAL 79 HG13 VAL 79 3.945 0.490 -2.215 581 1HG2 VAL 79 HG21 VAL 79 5.026 -2.857 -2.915 582 2HG2 VAL 79 HG22 VAL 79 3.492 -2.288 -3.572 583 3HG2 VAL 79 HG23 VAL 79 3.987 -1.810 -1.949 584 H TYR 80 HN TYR 80 4.098 -3.137 -5.608 585 HA TYR 80 HA TYR 80 1.771 -1.746 -6.757 586 1HB TYR 80 HB2 TYR 80 3.006 -4.293 -7.810 587 2HB TYR 80 HB1 TYR 80 1.609 -3.461 -8.477 588 HD1 TYR 80 HD1 TYR 80 4.932 -4.063 -9.001 589 HD2 TYR 80 HD2 TYR 80 2.181 -0.821 -8.910 590 HE1 TYR 80 HE1 TYR 80 6.414 -2.773 -10.473 591 HE2 TYR 80 HE2 TYR 80 3.658 0.478 -10.383 592 HH TYR 80 HH TYR 80 5.454 -0.030 -12.096 593 H LEU 81 HN LEU 81 0.131 -2.091 -5.410 594 HA LEU 81 HA LEU 81 -0.164 -4.781 -4.261 595 1HB LEU 81 HB2 LEU 81 -0.373 -3.815 -2.275 596 2HB LEU 81 HB1 LEU 81 -0.134 -2.247 -3.010 597 HG LEU 81 HG LEU 81 -2.896 -3.339 -3.111 598 1HD1 LEU 81 HD11 LEU 81 -2.679 -3.937 -0.915 599 2HD1 LEU 81 HD12 LEU 81 -3.117 -2.237 -0.743 600 3HD1 LEU 81 HD13 LEU 81 -1.431 -2.733 -0.594 601 1HD2 LEU 81 HD21 LEU 81 -3.014 -1.239 -3.891 602 2HD2 LEU 81 HD22 LEU 81 -1.494 -0.763 -3.133 603 3HD2 LEU 81 HD23 LEU 81 -2.983 -0.786 -2.187 604 H GLN 82 HN GLN 82 -1.609 -5.931 -5.303 605 HA GLN 82 HA GLN 82 -3.811 -4.624 -6.686 606 1HB GLN 82 HB2 GLN 82 -2.166 -6.540 -7.529 607 2HB GLN 82 HB1 GLN 82 -3.400 -7.550 -6.800 608 1HG GLN 82 HG2 GLN 82 -4.700 -5.589 -8.377 609 2HG GLN 82 HG1 GLN 82 -3.406 -6.302 -9.339 610 1HE2 GLN 82 HE21 GLN 82 -3.432 -8.544 -9.731 611 2HE2 GLN 82 HE22 GLN 82 -4.894 -9.456 -9.616 612 H MET 83 HN MET 83 -5.401 -4.186 -5.246 613 HA MET 83 HA MET 83 -6.161 -6.082 -3.212 614 1HB MET 83 HB2 MET 83 -7.629 -3.571 -4.014 615 2HB MET 83 HB1 MET 83 -7.707 -4.418 -2.477 616 1HG MET 83 HG2 MET 83 -5.788 -3.530 -1.721 617 2HG MET 83 HG1 MET 83 -5.062 -3.439 -3.321 618 1HE MET 83 HE1 MET 83 -8.723 -1.498 -3.134 619 2HE MET 83 HE2 MET 83 -8.251 -0.657 -1.658 620 3HE MET 83 HE3 MET 83 -8.251 -2.420 -1.707 621 H ASN 84 HN ASN 84 -6.874 -7.901 -4.333 622 HA ASN 84 HA ASN 84 -8.975 -7.672 -6.295 623 1HB ASN 84 HB2 ASN 84 -8.448 -10.365 -5.286 624 2HB ASN 84 HB1 ASN 84 -8.373 -9.739 -6.922 625 1HD2 ASN 84 HD21 ASN 84 -6.479 -10.119 -7.789 626 2HD2 ASN 84 HD22 ASN 84 -4.950 -9.986 -6.997 627 H SER 85 HN SER 85 -10.787 -9.441 -5.989 628 HA SER 85 HA SER 85 -12.864 -9.619 -5.011 629 1HB SER 85 HB2 SER 85 -11.162 -11.395 -4.051 630 2HB SER 85 HB1 SER 85 -11.458 -10.532 -2.542 631 HG SER 85 HG SER 85 -13.256 -11.986 -4.144 632 H LEU 86 HN LEU 86 -12.208 -6.994 -4.810 633 HA LEU 86 HA LEU 86 -12.088 -5.879 -2.262 634 1HB LEU 86 HB2 LEU 86 -12.386 -4.953 -4.910 635 2HB LEU 86 HB1 LEU 86 -13.696 -4.241 -3.987 636 HG LEU 86 HG LEU 86 -11.609 -3.769 -2.317 637 1HD1 LEU 86 HD11 LEU 86 -9.943 -2.741 -4.112 638 2HD1 LEU 86 HD12 LEU 86 -10.524 -4.115 -5.053 639 3HD1 LEU 86 HD13 LEU 86 -9.761 -4.379 -3.485 640 1HD2 LEU 86 HD21 LEU 86 -11.543 -1.518 -3.771 641 2HD2 LEU 86 HD22 LEU 86 -12.866 -1.922 -2.676 642 3HD2 LEU 86 HD23 LEU 86 -13.026 -2.231 -4.405 643 H LYS 87 HN LYS 87 -13.831 -4.576 -1.228 644 HA LYS 87 HA LYS 87 -16.516 -5.676 -1.528 645 1HB LYS 87 HB2 LYS 87 -14.794 -5.928 0.920 646 2HB LYS 87 HB1 LYS 87 -16.543 -5.867 1.067 647 1HG LYS 87 HG2 LYS 87 -14.923 -7.907 -0.437 648 2HG LYS 87 HG1 LYS 87 -15.832 -8.155 1.055 649 1HD LYS 87 HD2 LYS 87 -17.898 -7.502 -0.238 650 2HD LYS 87 HD1 LYS 87 -16.911 -7.587 -1.698 651 1HE LYS 87 HE2 LYS 87 -16.330 -9.966 -0.514 652 2HE LYS 87 HE1 LYS 87 -18.010 -9.738 -0.028 653 1HZ LYS 87 HZ1 LYS 87 -18.741 -10.023 -2.117 654 2HZ LYS 87 HZ2 LYS 87 -17.267 -10.819 -2.348 655 3HZ LYS 87 HZ3 LYS 87 -17.438 -9.204 -2.820 656 HA PRO 88 HA PRO 88 -17.845 -1.602 -0.531 657 1HB PRO 88 HB2 PRO 88 -20.009 -1.962 1.066 658 2HB PRO 88 HB1 PRO 88 -20.023 -2.311 -0.666 659 1HG PRO 88 HG2 PRO 88 -19.677 -4.188 1.642 660 2HG PRO 88 HG1 PRO 88 -20.660 -4.384 0.179 661 1HD PRO 88 HD2 PRO 88 -18.241 -5.552 0.463 662 2HD PRO 88 HD1 PRO 88 -18.847 -4.998 -1.109 663 H GLU 89 HN GLU 89 -16.402 -3.440 1.778 664 HA GLU 89 HA GLU 89 -16.707 -1.429 3.890 665 1HB GLU 89 HB2 GLU 89 -15.933 -4.320 3.891 666 2HB GLU 89 HB1 GLU 89 -15.389 -3.281 5.201 667 1HG GLU 89 HG2 GLU 89 -17.904 -2.617 5.342 668 2HG GLU 89 HG1 GLU 89 -18.152 -4.136 4.482 669 H ASP 90 HN ASP 90 -14.720 -2.029 1.348 670 HA ASP 90 HA ASP 90 -12.211 -1.480 2.705 671 1HB ASP 90 HB2 ASP 90 -12.998 -2.236 -0.078 672 2HB ASP 90 HB1 ASP 90 -11.444 -1.456 0.185 673 H THR 91 HN THR 91 -14.762 0.326 1.437 674 HA THR 91 HA THR 91 -13.637 2.440 0.108 675 HB THR 91 HB THR 91 -15.886 2.408 2.112 676 HG1 THR 91 HG1 THR 91 -15.917 1.116 0.070 677 1HG2 THR 91 HG21 THR 91 -16.221 4.573 1.825 678 2HG2 THR 91 HG22 THR 91 -16.270 4.353 0.076 679 3HG2 THR 91 HG23 THR 91 -14.734 4.669 0.883 680 H ALA 92 HN ALA 92 -11.717 3.297 0.756 681 HA ALA 92 HA ALA 92 -11.705 5.092 2.961 682 1HB ALA 92 HB1 ALA 92 -10.595 2.384 3.378 683 2HB ALA 92 HB2 ALA 92 -11.296 3.517 4.534 684 3HB ALA 92 HB3 ALA 92 -9.637 3.738 3.979 685 H VAL 93 HN VAL 93 -9.447 6.007 3.336 686 HA VAL 93 HA VAL 93 -8.292 6.552 0.757 687 HB VAL 93 HB VAL 93 -8.737 8.262 2.578 688 1HG1 VAL 93 HG11 VAL 93 -7.456 6.706 4.266 689 2HG1 VAL 93 HG12 VAL 93 -7.428 8.462 4.434 690 3HG1 VAL 93 HG13 VAL 93 -6.061 7.625 3.699 691 1HG2 VAL 93 HG21 VAL 93 -7.576 9.226 0.886 692 2HG2 VAL 93 HG22 VAL 93 -6.309 8.000 0.909 693 3HG2 VAL 93 HG23 VAL 93 -6.312 9.287 2.114 694 H TYR 94 HN TYR 94 -6.927 5.087 -0.060 695 HA TYR 94 HA TYR 94 -5.207 3.528 1.649 696 1HB TYR 94 HB2 TYR 94 -6.002 3.530 -1.221 697 2HB TYR 94 HB1 TYR 94 -4.482 2.776 -0.789 698 HD1 TYR 94 HD1 TYR 94 -4.454 0.566 0.003 699 HD2 TYR 94 HD2 TYR 94 -8.098 2.761 0.056 700 HE1 TYR 94 HE1 TYR 94 -5.666 -1.470 0.665 701 HE2 TYR 94 HE2 TYR 94 -9.319 0.734 0.718 702 HH TYR 94 HH TYR 94 -9.099 -1.653 0.654 703 H THR 95 HN THR 95 -3.475 4.589 2.424 704 HA THR 95 HA THR 95 -1.949 6.292 0.566 705 HB THR 95 HB THR 95 -1.814 6.278 3.584 706 HG1 THR 95 HG1 THR 95 -3.183 8.093 1.893 707 1HG2 THR 95 HG21 THR 95 -1.134 8.781 2.618 708 2HG2 THR 95 HG22 THR 95 -0.295 7.651 1.555 709 3HG2 THR 95 HG23 THR 95 -0.044 7.574 3.299 710 H CYS 96 HN CYS 96 0.180 5.913 0.174 711 HA CYS 96 HA CYS 96 1.232 3.377 1.185 712 1HB CYS 96 HB2 CYS 96 2.739 3.389 -0.676 713 2HB CYS 96 HB1 CYS 96 1.145 3.813 -1.288 714 H GLY 97 HN GLY 97 3.165 3.198 2.256 715 1HA GLY 97 HA2 GLY 97 4.657 5.658 2.824 716 2HA GLY 97 HA1 GLY 97 4.026 4.728 4.175 717 H ALA 98 HN ALA 98 6.595 5.047 4.323 718 HA ALA 98 HA ALA 98 7.716 2.472 3.444 719 1HB ALA 98 HB1 ALA 98 8.589 5.064 2.662 720 2HB ALA 98 HB2 ALA 98 9.250 3.491 2.221 721 3HB ALA 98 HB3 ALA 98 9.841 4.323 3.659 722 H GLY 99 HN GLY 99 9.702 1.887 4.719 723 1HA GLY 99 HA2 GLY 99 9.197 2.540 7.549 724 2HA GLY 99 HA1 GLY 99 9.892 1.034 6.975 725 H GLU 100 HN GLU 100 11.215 2.113 8.951 726 HA GLU 100 HA GLU 100 13.771 2.688 7.847 727 1HB GLU 100 HB2 GLU 100 12.083 4.927 8.767 728 2HB GLU 100 HB1 GLU 100 13.724 4.921 9.397 729 1HG GLU 100 HG2 GLU 100 14.054 4.400 6.706 730 2HG GLU 100 HG1 GLU 100 12.748 5.584 6.752 731 H GLY 101 HN GLY 101 14.977 1.441 9.115 732 1HA GLY 101 HA2 GLY 101 15.914 0.511 10.974 733 2HA GLY 101 HA1 GLY 101 15.358 1.929 11.848 734 H GLY 102 HN GLY 102 12.897 0.154 10.267 735 1HA GLY 102 HA2 GLY 102 11.737 -1.777 11.161 736 2HA GLY 102 HA1 GLY 102 12.272 -1.288 12.762 737 H THR 103 HN THR 103 11.574 1.583 11.717 738 HA THR 103 HA THR 103 8.806 1.463 12.642 739 HB THR 103 HB THR 103 10.482 3.912 12.183 740 HG1 THR 103 HG1 THR 103 11.473 3.615 14.037 741 1HG2 THR 103 HG21 THR 103 9.069 4.415 14.410 742 2HG2 THR 103 HG22 THR 103 7.942 3.364 13.553 743 3HG2 THR 103 HG23 THR 103 8.528 4.841 12.787 744 H TRP 104 HN TRP 104 7.526 3.469 11.597 745 HA TRP 104 HA TRP 104 7.965 3.544 8.709 746 1HB TRP 104 HB2 TRP 104 5.375 2.709 10.028 747 2HB TRP 104 HB1 TRP 104 5.533 3.114 8.322 748 HD1 TRP 104 HD1 TRP 104 6.688 0.459 10.864 749 HE1 TRP 104 HE1 TRP 104 7.271 -1.691 9.572 750 HE3 TRP 104 HE3 TRP 104 6.168 2.213 6.091 751 HZ2 TRP 104 HZ2 TRP 104 7.484 -2.530 6.884 752 HZ3 TRP 104 HZ3 TRP 104 6.582 0.676 4.215 753 HH2 TRP 104 HH2 TRP 104 7.226 -1.648 4.605 754 H ASP 105 HN ASP 105 8.411 5.689 8.633 755 HA ASP 105 HA ASP 105 6.237 7.498 9.408 756 1HB ASP 105 HB2 ASP 105 7.994 7.617 11.110 757 2HB ASP 105 HB1 ASP 105 9.157 8.026 9.859 758 H SER 106 HN SER 106 7.673 6.277 6.863 759 HA SER 106 HA SER 106 8.090 8.805 5.440 760 1HB SER 106 HB2 SER 106 9.249 6.151 5.280 761 2HB SER 106 HB1 SER 106 8.699 6.719 3.710 762 HG SER 106 HG SER 106 10.620 7.643 3.787 763 H TRP 107 HN TRP 107 5.618 8.803 5.798 764 HA TRP 107 HA TRP 107 3.982 7.174 4.151 765 1HB TRP 107 HB2 TRP 107 3.296 9.922 5.196 766 2HB TRP 107 HB1 TRP 107 2.182 8.637 4.756 767 HD1 TRP 107 HD1 TRP 107 4.650 9.622 7.518 768 HE1 TRP 107 HE1 TRP 107 4.079 8.277 9.639 769 HE3 TRP 107 HE3 TRP 107 1.075 6.535 5.576 770 HZ2 TRP 107 HZ2 TRP 107 2.337 6.182 10.386 771 HZ3 TRP 107 HZ3 TRP 107 0.004 4.891 7.057 772 HH2 TRP 107 HH2 TRP 107 0.622 4.717 9.411 773 H GLY 108 HN GLY 108 2.564 8.069 2.419 774 1HA GLY 108 HA2 GLY 108 4.192 9.729 0.604 775 2HA GLY 108 HA1 GLY 108 3.017 8.529 0.086 776 H GLN 109 HN GLN 109 1.260 9.408 -0.767 777 HA GLN 109 HA GLN 109 0.362 12.011 0.254 778 1HB GLN 109 HB2 GLN 109 1.121 11.857 -2.160 779 2HB GLN 109 HB1 GLN 109 -0.291 10.851 -2.447 780 1HG GLN 109 HG2 GLN 109 -1.391 12.724 -2.882 781 2HG GLN 109 HG1 GLN 109 -1.319 13.061 -1.153 782 1HE2 GLN 109 HE21 GLN 109 0.429 13.513 -4.185 783 2HE2 GLN 109 HE22 GLN 109 1.163 15.015 -3.747 784 H GLY 110 HN GLY 110 -1.119 9.304 -1.538 785 1HA GLY 110 HA2 GLY 110 -2.732 7.980 -0.057 786 2HA GLY 110 HA1 GLY 110 -3.456 9.552 0.242 787 H THR 111 HN THR 111 -4.664 7.183 -0.924 788 HA THR 111 HA THR 111 -5.793 8.448 -3.274 789 HB THR 111 HB THR 111 -4.087 7.254 -4.399 790 HG1 THR 111 HG1 THR 111 -6.302 5.491 -4.420 791 1HG2 THR 111 HG21 THR 111 -3.174 5.794 -2.813 792 2HG2 THR 111 HG22 THR 111 -3.836 4.759 -4.077 793 3HG2 THR 111 HG23 THR 111 -4.713 4.971 -2.562 794 H GLN 112 HN GLN 112 -7.865 8.456 -2.680 795 HA GLN 112 HA GLN 112 -9.058 6.668 -0.902 796 1HB GLN 112 HB2 GLN 112 -10.220 8.645 -1.092 797 2HB GLN 112 HB1 GLN 112 -10.082 8.690 -2.834 798 1HG GLN 112 HG2 GLN 112 -12.276 8.215 -2.708 799 2HG GLN 112 HG1 GLN 112 -11.682 6.561 -2.598 800 1HE2 GLN 112 HE21 GLN 112 -10.694 6.660 0.017 801 2HE2 GLN 112 HE22 GLN 112 -12.028 6.792 1.095 802 H VAL 113 HN VAL 113 -10.267 4.866 -1.106 803 HA VAL 113 HA VAL 113 -10.372 3.623 -3.775 804 HB VAL 113 HB VAL 113 -9.760 2.423 -1.086 805 1HG1 VAL 113 HG11 VAL 113 -10.961 0.628 -1.698 806 2HG1 VAL 113 HG12 VAL 113 -9.655 0.313 -2.841 807 3HG1 VAL 113 HG13 VAL 113 -11.099 1.177 -3.368 808 1HG2 VAL 113 HG21 VAL 113 -7.753 3.048 -2.008 809 2HG2 VAL 113 HG22 VAL 113 -8.300 2.771 -3.661 810 3HG2 VAL 113 HG23 VAL 113 -7.900 1.402 -2.623 811 H THR 114 HN THR 114 -12.498 4.535 -4.003 812 HA THR 114 HA THR 114 -14.579 3.956 -2.140 813 HB THR 114 HB THR 114 -14.712 4.879 -5.017 814 HG1 THR 114 HG1 THR 114 -14.674 6.253 -2.546 815 1HG2 THR 114 HG21 THR 114 -16.912 4.754 -4.914 816 2HG2 THR 114 HG22 THR 114 -16.897 5.831 -3.518 817 3HG2 THR 114 HG23 THR 114 -16.822 4.085 -3.285 818 H VAL 115 HN VAL 115 -16.157 2.408 -2.190 819 HA VAL 115 HA VAL 115 -16.113 0.439 -4.349 820 HB VAL 115 HB VAL 115 -16.453 -0.656 -1.611 821 1HG1 VAL 115 HG11 VAL 115 -15.633 -1.561 -4.293 822 2HG1 VAL 115 HG12 VAL 115 -16.587 -2.382 -3.057 823 3HG1 VAL 115 HG13 VAL 115 -14.828 -2.346 -2.934 824 1HG2 VAL 115 HG21 VAL 115 -14.071 -0.897 -1.225 825 2HG2 VAL 115 HG22 VAL 115 -14.490 0.811 -1.349 826 3HG2 VAL 115 HG23 VAL 115 -13.716 -0.008 -2.706 827 H SER 116 HN SER 116 -18.003 -1.198 -3.846 828 HA SER 116 HA SER 116 -20.298 0.107 -2.627 829 1HB SER 116 HB2 SER 116 -21.636 0.221 -4.539 830 2HB SER 116 HB1 SER 116 -20.062 0.735 -5.145 831 HG SER 116 HG SER 116 -19.787 -1.577 -5.703 832 H SER 117 HN SER 117 -22.312 -1.510 -3.410 833 HA SER 117 HA SER 117 -21.457 -4.118 -2.367 834 1HB SER 117 HB2 SER 117 -24.347 -3.487 -2.546 835 2HB SER 117 HB1 SER 117 -23.440 -4.270 -1.253 836 HG SER 117 HG SER 117 -24.241 -1.744 -1.400 Start of MODEL 9 1 1H GLN 1 HT1 GLN 1 12.648 11.044 5.694 2 2H GLN 1 HT2 GLN 1 10.938 11.183 5.665 3 3H GLN 1 HT3 GLN 1 11.831 11.826 6.982 4 HA GLN 1 HA GLN 1 11.308 13.646 5.735 5 1HB GLN 1 HB2 GLN 1 14.046 12.612 4.980 6 2HB GLN 1 HB1 GLN 1 13.522 14.267 4.703 7 1HG GLN 1 HG2 GLN 1 13.194 13.265 7.450 8 2HG GLN 1 HG1 GLN 1 14.855 13.455 6.889 9 1HE2 GLN 1 HE21 GLN 1 14.902 15.630 5.425 10 2HE2 GLN 1 HE22 GLN 1 14.369 17.019 6.302 11 H VAL 2 HN VAL 2 12.091 10.874 3.763 12 HA VAL 2 HA VAL 2 11.784 12.106 1.238 13 HB VAL 2 HB VAL 2 11.456 9.717 0.475 14 1HG1 VAL 2 HG11 VAL 2 13.726 9.318 0.468 15 2HG1 VAL 2 HG12 VAL 2 13.938 9.923 2.111 16 3HG1 VAL 2 HG13 VAL 2 13.663 11.052 0.784 17 1HG2 VAL 2 HG21 VAL 2 11.071 8.084 1.927 18 2HG2 VAL 2 HG22 VAL 2 10.968 9.301 3.199 19 3HG2 VAL 2 HG23 VAL 2 12.508 8.515 2.853 20 H GLN 3 HN GLN 3 10.048 11.798 -0.267 21 HA GLN 3 HA GLN 3 7.430 11.559 1.059 22 1HB GLN 3 HB2 GLN 3 6.585 12.885 -0.905 23 2HB GLN 3 HB1 GLN 3 7.685 13.751 0.157 24 1HG GLN 3 HG2 GLN 3 9.192 14.049 -1.456 25 2HG GLN 3 HG1 GLN 3 9.034 12.392 -2.038 26 1HE2 GLN 3 HE21 GLN 3 7.437 15.542 -2.066 27 2HE2 GLN 3 HE22 GLN 3 6.728 15.369 -3.632 28 H LEU 4 HN LEU 4 5.670 10.650 -0.242 29 HA LEU 4 HA LEU 4 6.588 8.745 -2.283 30 1HB LEU 4 HB2 LEU 4 4.887 8.172 0.132 31 2HB LEU 4 HB1 LEU 4 4.887 7.128 -1.276 32 HG LEU 4 HG LEU 4 7.594 7.484 -0.589 33 1HD1 LEU 4 HD11 LEU 4 6.393 6.376 1.853 34 2HD1 LEU 4 HD12 LEU 4 6.236 8.122 1.661 35 3HD1 LEU 4 HD13 LEU 4 7.833 7.373 1.643 36 1HD2 LEU 4 HD21 LEU 4 5.895 5.108 0.117 37 2HD2 LEU 4 HD22 LEU 4 7.594 5.142 -0.355 38 3HD2 LEU 4 HD23 LEU 4 6.341 5.493 -1.545 39 H GLN 5 HN GLN 5 5.194 8.386 -3.966 40 HA GLN 5 HA GLN 5 2.688 9.938 -3.931 41 1HB GLN 5 HB2 GLN 5 4.765 9.585 -6.059 42 2HB GLN 5 HB1 GLN 5 3.095 9.879 -6.523 43 1HG GLN 5 HG2 GLN 5 4.191 11.698 -4.487 44 2HG GLN 5 HG1 GLN 5 4.906 11.818 -6.094 45 1HE2 GLN 5 HE21 GLN 5 1.590 11.010 -5.207 46 2HE2 GLN 5 HE22 GLN 5 0.858 12.363 -5.994 47 H GLU 6 HN GLU 6 1.022 9.114 -5.476 48 HA GLU 6 HA GLU 6 1.096 6.169 -5.593 49 1HB GLU 6 HB2 GLU 6 -1.586 7.313 -5.614 50 2HB GLU 6 HB1 GLU 6 -0.925 6.025 -4.620 51 1HG GLU 6 HG2 GLU 6 -0.423 8.935 -4.068 52 2HG GLU 6 HG1 GLU 6 -1.792 8.047 -3.401 53 H SER 7 HN SER 7 -0.332 5.223 -7.278 54 HA SER 7 HA SER 7 -1.161 6.842 -9.483 55 1HB SER 7 HB2 SER 7 1.209 6.894 -9.977 56 2HB SER 7 HB1 SER 7 1.324 5.143 -9.795 57 HG SER 7 HG SER 7 0.510 6.626 -11.938 58 H GLY 8 HN GLY 8 -2.939 5.865 -10.168 59 1HA GLY 8 HA2 GLY 8 -3.747 3.867 -11.402 60 2HA GLY 8 HA1 GLY 8 -3.010 2.910 -10.127 61 H GLY 9 HN GLY 9 -3.978 5.003 -8.140 62 1HA GLY 9 HA2 GLY 9 -6.146 3.723 -7.105 63 2HA GLY 9 HA1 GLY 9 -5.818 5.427 -6.843 64 H GLY 10 HN GLY 10 -8.301 3.772 -7.281 65 1HA GLY 10 HA2 GLY 10 -9.862 5.703 -8.551 66 2HA GLY 10 HA1 GLY 10 -9.463 4.484 -9.751 67 H LEU 11 HN LEU 11 -12.050 4.883 -9.164 68 HA LEU 11 HA LEU 11 -13.063 3.298 -7.086 69 1HB LEU 11 HB2 LEU 11 -14.469 4.105 -9.617 70 2HB LEU 11 HB1 LEU 11 -15.216 3.638 -8.098 71 HG LEU 11 HG LEU 11 -13.536 5.723 -7.407 72 1HD1 LEU 11 HD11 LEU 11 -13.434 6.091 -9.948 73 2HD1 LEU 11 HD12 LEU 11 -13.799 7.476 -8.920 74 3HD1 LEU 11 HD13 LEU 11 -15.096 6.658 -9.789 75 1HD2 LEU 11 HD21 LEU 11 -16.352 5.116 -7.444 76 2HD2 LEU 11 HD22 LEU 11 -16.081 6.828 -7.766 77 3HD2 LEU 11 HD23 LEU 11 -15.431 6.093 -6.302 78 H VAL 12 HN VAL 12 -13.968 1.234 -7.110 79 HA VAL 12 HA VAL 12 -13.681 -0.346 -9.558 80 HB VAL 12 HB VAL 12 -11.618 -0.722 -8.318 81 1HG1 VAL 12 HG11 VAL 12 -12.353 -0.238 -6.073 82 2HG1 VAL 12 HG12 VAL 12 -11.684 -1.868 -6.129 83 3HG1 VAL 12 HG13 VAL 12 -13.431 -1.634 -6.089 84 1HG2 VAL 12 HG21 VAL 12 -12.357 -3.324 -7.777 85 2HG2 VAL 12 HG22 VAL 12 -11.827 -2.696 -9.338 86 3HG2 VAL 12 HG23 VAL 12 -13.548 -2.798 -8.966 87 H GLN 13 HN GLN 13 -15.317 -1.727 -9.889 88 HA GLN 13 HA GLN 13 -17.569 -1.690 -8.155 89 1HB GLN 13 HB2 GLN 13 -18.503 -2.132 -10.140 90 2HB GLN 13 HB1 GLN 13 -16.950 -2.561 -10.832 91 1HG GLN 13 HG2 GLN 13 -18.063 -4.502 -11.166 92 2HG GLN 13 HG1 GLN 13 -17.406 -4.838 -9.571 93 1HE2 GLN 13 HE21 GLN 13 -19.347 -2.884 -8.372 94 2HE2 GLN 13 HE22 GLN 13 -20.847 -3.736 -8.323 95 H ALA 14 HN ALA 14 -18.338 -3.218 -6.752 96 HA ALA 14 HA ALA 14 -16.666 -4.747 -5.246 97 1HB ALA 14 HB1 ALA 14 -19.332 -4.227 -5.208 98 2HB ALA 14 HB2 ALA 14 -18.509 -5.336 -4.112 99 3HB ALA 14 HB3 ALA 14 -19.318 -5.956 -5.551 100 H GLY 15 HN GLY 15 -15.633 -6.641 -5.417 101 1HA GLY 15 HA2 GLY 15 -15.418 -8.908 -6.075 102 2HA GLY 15 HA1 GLY 15 -16.554 -8.610 -7.382 103 H GLY 16 HN GLY 16 -14.951 -6.064 -7.970 104 1HA GLY 16 HA2 GLY 16 -13.216 -7.311 -9.907 105 2HA GLY 16 HA1 GLY 16 -13.500 -5.588 -9.715 106 H SER 17 HN SER 17 -11.031 -6.030 -10.247 107 HA SER 17 HA SER 17 -9.613 -6.051 -7.676 108 1HB SER 17 HB2 SER 17 -8.736 -7.932 -8.684 109 2HB SER 17 HB1 SER 17 -8.909 -7.262 -10.301 110 HG SER 17 HG SER 17 -6.934 -6.704 -8.364 111 H LEU 18 HN LEU 18 -8.199 -4.411 -7.247 112 HA LEU 18 HA LEU 18 -7.835 -2.382 -9.346 113 1HB LEU 18 HB2 LEU 18 -9.488 -1.661 -7.657 114 2HB LEU 18 HB1 LEU 18 -8.282 -1.880 -6.403 115 HG LEU 18 HG LEU 18 -6.903 -0.193 -7.865 116 1HD1 LEU 18 HD11 LEU 18 -8.334 0.024 -9.735 117 2HD1 LEU 18 HD12 LEU 18 -8.484 1.524 -8.819 118 3HD1 LEU 18 HD13 LEU 18 -9.745 0.295 -8.713 119 1HD2 LEU 18 HD21 LEU 18 -7.242 0.657 -5.806 120 2HD2 LEU 18 HD22 LEU 18 -8.939 0.178 -5.773 121 3HD2 LEU 18 HD23 LEU 18 -8.452 1.640 -6.630 122 H ARG 19 HN ARG 19 -5.789 -1.708 -9.664 123 HA ARG 19 HA ARG 19 -3.750 -2.675 -7.771 124 1HB ARG 19 HB2 ARG 19 -3.678 -3.717 -10.013 125 2HB ARG 19 HB1 ARG 19 -3.443 -2.128 -10.723 126 1HG ARG 19 HG2 ARG 19 -1.539 -2.928 -8.612 127 2HG ARG 19 HG1 ARG 19 -1.434 -3.785 -10.151 128 1HD ARG 19 HD2 ARG 19 -1.688 -0.866 -10.368 129 2HD ARG 19 HD1 ARG 19 -0.204 -1.426 -9.604 130 HE ARG 19 HE ARG 19 0.401 -2.503 -11.603 131 1HH1 ARG 19 HH11 ARG 19 -2.631 -0.786 -11.907 132 2HH1 ARG 19 HH12 ARG 19 -2.605 -0.804 -13.636 133 1HH2 ARG 19 HH21 ARG 19 0.425 -2.525 -13.875 134 2HH2 ARG 19 HH22 ARG 19 -0.876 -1.792 -14.753 135 H LEU 20 HN LEU 20 -2.422 -1.255 -6.833 136 HA LEU 20 HA LEU 20 -2.366 1.498 -7.887 137 1HB LEU 20 HB2 LEU 20 -1.869 0.972 -4.996 138 2HB LEU 20 HB1 LEU 20 -2.489 2.412 -5.776 139 HG LEU 20 HG LEU 20 -4.027 -0.144 -5.329 140 1HD1 LEU 20 HD11 LEU 20 -4.630 0.678 -3.362 141 2HD1 LEU 20 HD12 LEU 20 -5.152 2.187 -4.112 142 3HD1 LEU 20 HD13 LEU 20 -3.479 1.996 -3.586 143 1HD2 LEU 20 HD21 LEU 20 -5.338 0.561 -6.977 144 2HD2 LEU 20 HD22 LEU 20 -4.436 2.068 -7.133 145 3HD2 LEU 20 HD23 LEU 20 -5.757 1.946 -5.970 146 H SER 21 HN SER 21 -0.404 2.509 -7.993 147 HA SER 21 HA SER 21 1.941 0.913 -7.199 148 1HB SER 21 HB2 SER 21 3.105 1.662 -9.196 149 2HB SER 21 HB1 SER 21 1.585 0.897 -9.659 150 HG SER 21 HG SER 21 1.743 2.790 -10.800 151 H CYS 22 HN CYS 22 2.968 1.904 -5.603 152 HA CYS 22 HA CYS 22 3.018 4.846 -5.564 153 1HB CYS 22 HB2 CYS 22 2.011 3.964 -3.565 154 2HB CYS 22 HB1 CYS 22 3.339 2.834 -3.332 155 H ALA 23 HN ALA 23 4.902 5.916 -5.660 156 HA ALA 23 HA ALA 23 7.359 4.298 -5.822 157 1HB ALA 23 HB1 ALA 23 7.308 7.031 -6.964 158 2HB ALA 23 HB2 ALA 23 6.384 5.784 -7.803 159 3HB ALA 23 HB3 ALA 23 8.116 5.573 -7.542 160 H ALA 24 HN ALA 24 9.215 4.979 -4.770 161 HA ALA 24 HA ALA 24 8.750 6.889 -2.596 162 1HB ALA 24 HB1 ALA 24 10.608 4.583 -2.969 163 2HB ALA 24 HB2 ALA 24 9.518 4.944 -1.631 164 3HB ALA 24 HB3 ALA 24 11.017 5.855 -1.819 165 H SER 25 HN SER 25 9.394 8.903 -2.951 166 HA SER 25 HA SER 25 11.413 9.510 -4.925 167 1HB SER 25 HB2 SER 25 10.505 11.712 -3.202 168 2HB SER 25 HB1 SER 25 10.507 11.581 -4.961 169 HG SER 25 HG SER 25 8.565 10.723 -3.113 170 H GLY 26 HN GLY 26 13.313 8.632 -4.063 171 1HA GLY 26 HA2 GLY 26 15.116 10.161 -2.824 172 2HA GLY 26 HA1 GLY 26 14.221 9.533 -1.450 173 H ARG 27 HN ARG 27 17.001 9.109 -2.052 174 HA ARG 27 HA ARG 27 17.324 6.465 -3.098 175 1HB ARG 27 HB2 ARG 27 19.142 8.419 -1.725 176 2HB ARG 27 HB1 ARG 27 19.663 6.780 -2.072 177 1HG ARG 27 HG2 ARG 27 18.785 7.425 -4.493 178 2HG ARG 27 HG1 ARG 27 19.174 9.044 -3.908 179 1HD ARG 27 HD2 ARG 27 21.427 8.549 -3.656 180 2HD ARG 27 HD1 ARG 27 21.140 6.810 -3.597 181 HE ARG 27 HE ARG 27 21.540 8.420 -5.936 182 1HH1 ARG 27 HH11 ARG 27 20.073 5.498 -4.717 183 2HH1 ARG 27 HH12 ARG 27 20.083 4.703 -6.255 184 1HH2 ARG 27 HH21 ARG 27 21.554 7.376 -7.959 185 2HH2 ARG 27 HH22 ARG 27 20.924 5.769 -8.096 186 H THR 28 HN THR 28 17.275 4.572 -2.052 187 HA THR 28 HA THR 28 16.568 4.563 0.759 188 HB THR 28 HB THR 28 16.310 2.098 0.402 189 HG1 THR 28 HG1 THR 28 17.851 1.995 -1.345 190 1HG2 THR 28 HG21 THR 28 14.651 4.120 -0.522 191 2HG2 THR 28 HG22 THR 28 14.227 2.428 -0.260 192 3HG2 THR 28 HG23 THR 28 14.751 2.969 -1.855 193 H GLY 29 HN GLY 29 18.465 5.176 1.812 194 1HA GLY 29 HA2 GLY 29 20.933 3.755 1.333 195 2HA GLY 29 HA1 GLY 29 20.659 4.991 2.550 196 H SER 30 HN SER 30 18.364 3.683 3.725 197 HA SER 30 HA SER 30 19.809 1.638 5.244 198 1HB SER 30 HB2 SER 30 18.272 3.776 6.072 199 2HB SER 30 HB1 SER 30 17.172 2.410 6.253 200 HG SER 30 HG SER 30 19.144 3.116 7.852 201 H THR 31 HN THR 31 17.928 1.610 2.620 202 HA THR 31 HA THR 31 16.547 0.113 1.610 203 HB THR 31 HB THR 31 17.047 -2.168 1.920 204 HG1 THR 31 HG1 THR 31 18.104 -1.626 4.487 205 1HG2 THR 31 HG21 THR 31 19.178 -2.032 1.366 206 2HG2 THR 31 HG22 THR 31 19.624 -1.621 3.022 207 3HG2 THR 31 HG23 THR 31 19.175 -0.347 1.888 208 H TYR 32 HN TYR 32 15.131 1.654 3.299 209 HA TYR 32 HA TYR 32 13.688 0.274 5.268 210 1HB TYR 32 HB2 TYR 32 12.192 2.455 4.304 211 2HB TYR 32 HB1 TYR 32 13.191 2.384 5.736 212 HD1 TYR 32 HD1 TYR 32 12.922 3.586 2.315 213 HD2 TYR 32 HD2 TYR 32 15.464 3.289 5.713 214 HE1 TYR 32 HE1 TYR 32 14.399 5.299 1.352 215 HE2 TYR 32 HE2 TYR 32 16.948 5.002 4.760 216 HH TYR 32 HH TYR 32 16.079 6.992 2.239 217 H ASP 33 HN ASP 33 11.873 -0.909 5.135 218 HA ASP 33 HA ASP 33 11.009 -1.997 2.709 219 1HB ASP 33 HB2 ASP 33 9.401 -1.857 5.265 220 2HB ASP 33 HB1 ASP 33 9.242 -3.042 3.973 221 H MET 34 HN MET 34 8.542 -1.964 2.143 222 HA MET 34 HA MET 34 7.430 0.728 2.309 223 1HB MET 34 HB2 MET 34 8.591 -0.477 -0.099 224 2HB MET 34 HB1 MET 34 6.957 0.127 -0.331 225 1HG MET 34 HG2 MET 34 7.626 2.244 -0.317 226 2HG MET 34 HG1 MET 34 8.627 2.005 1.114 227 1HE MET 34 HE1 MET 34 10.018 1.098 -3.190 228 2HE MET 34 HE2 MET 34 8.366 1.508 -2.727 229 3HE MET 34 HE3 MET 34 9.047 -0.053 -2.270 230 H GLY 35 HN GLY 35 5.309 0.651 2.700 231 1HA GLY 35 HA2 GLY 35 3.717 -1.540 1.605 232 2HA GLY 35 HA1 GLY 35 3.781 -1.407 3.355 233 H TRP 36 HN TRP 36 1.438 -1.222 1.732 234 HA TRP 36 HA TRP 36 0.721 1.572 1.653 235 1HB TRP 36 HB2 TRP 36 -0.787 -0.930 0.989 236 2HB TRP 36 HB1 TRP 36 -1.468 0.675 0.849 237 HD1 TRP 36 HD1 TRP 36 1.366 -1.466 -0.666 238 HE1 TRP 36 HE1 TRP 36 1.837 -0.604 -3.045 239 HE3 TRP 36 HE3 TRP 36 -1.757 2.582 -0.696 240 HZ2 TRP 36 HZ2 TRP 36 0.997 1.513 -4.713 241 HZ3 TRP 36 HZ3 TRP 36 -1.864 3.974 -2.722 242 HH2 TRP 36 HH2 TRP 36 -0.515 3.450 -4.688 243 H PHE 37 HN PHE 37 -1.060 2.458 2.769 244 HA PHE 37 HA PHE 37 -1.866 1.022 5.192 245 1HB PHE 37 HB2 PHE 37 -0.605 3.707 4.898 246 2HB PHE 37 HB1 PHE 37 -1.836 3.506 6.129 247 HD1 PHE 37 HD1 PHE 37 -1.070 3.042 8.237 248 HD2 PHE 37 HD2 PHE 37 1.150 1.645 4.886 249 HE1 PHE 37 HE1 PHE 37 0.611 2.085 9.755 250 HE2 PHE 37 HE2 PHE 37 2.834 0.681 6.399 251 HZ PHE 37 HZ PHE 37 2.566 0.901 8.837 252 H ARG 38 HN ARG 38 -3.704 2.463 6.280 253 HA ARG 38 HA ARG 38 -5.407 3.759 4.338 254 1HB ARG 38 HB2 ARG 38 -7.340 2.282 4.819 255 2HB ARG 38 HB1 ARG 38 -6.039 1.463 3.968 256 1HG ARG 38 HG2 ARG 38 -5.284 0.687 6.296 257 2HG ARG 38 HG1 ARG 38 -6.899 1.171 6.817 258 1HD ARG 38 HD2 ARG 38 -7.903 -0.546 5.750 259 2HD ARG 38 HD1 ARG 38 -6.788 -0.485 4.385 260 HE ARG 38 HE ARG 38 -5.369 -1.448 6.574 261 1HH1 ARG 38 HH11 ARG 38 -8.060 -2.430 4.579 262 2HH1 ARG 38 HH12 ARG 38 -7.769 -4.122 4.802 263 1HH2 ARG 38 HH21 ARG 38 -4.986 -3.674 6.868 264 2HH2 ARG 38 HH22 ARG 38 -6.025 -4.829 6.101 265 H GLN 39 HN GLN 39 -7.218 4.868 5.308 266 HA GLN 39 HA GLN 39 -7.599 4.880 8.134 267 1HB GLN 39 HB2 GLN 39 -5.422 6.096 7.923 268 2HB GLN 39 HB1 GLN 39 -6.248 7.317 6.965 269 1HG GLN 39 HG2 GLN 39 -7.653 7.894 8.839 270 2HG GLN 39 HG1 GLN 39 -6.950 6.596 9.801 271 1HE2 GLN 39 HE21 GLN 39 -6.403 8.190 11.355 272 2HE2 GLN 39 HE22 GLN 39 -5.017 9.195 11.133 273 H ALA 40 HN ALA 40 -9.358 6.132 8.784 274 HA ALA 40 HA ALA 40 -10.851 7.464 6.620 275 1HB ALA 40 HB1 ALA 40 -12.670 6.200 6.938 276 2HB ALA 40 HB2 ALA 40 -12.529 6.283 8.694 277 3HB ALA 40 HB3 ALA 40 -11.597 5.090 7.789 278 HA PRO 41 HA PRO 41 -11.428 10.902 9.297 279 1HB PRO 41 HB2 PRO 41 -14.095 11.476 9.144 280 2HB PRO 41 HB1 PRO 41 -12.947 11.840 7.851 281 1HG PRO 41 HG2 PRO 41 -14.837 9.535 8.114 282 2HG PRO 41 HG1 PRO 41 -14.445 10.505 6.682 283 1HD PRO 41 HD2 PRO 41 -13.383 8.056 7.102 284 2HD PRO 41 HD1 PRO 41 -12.486 9.350 6.281 285 H GLY 42 HN GLY 42 -11.610 11.275 11.403 286 1HA GLY 42 HA2 GLY 42 -12.237 11.020 13.603 287 2HA GLY 42 HA1 GLY 42 -13.691 10.210 13.035 288 H LYS 43 HN LYS 43 -11.080 8.710 11.628 289 HA LYS 43 HA LYS 43 -11.079 6.621 13.693 290 1HB LYS 43 HB2 LYS 43 -11.923 6.325 11.214 291 2HB LYS 43 HB1 LYS 43 -10.208 6.157 10.876 292 1HG LYS 43 HG2 LYS 43 -10.857 4.520 13.114 293 2HG LYS 43 HG1 LYS 43 -12.009 4.200 11.814 294 1HD LYS 43 HD2 LYS 43 -10.157 3.845 10.261 295 2HD LYS 43 HD1 LYS 43 -9.006 4.171 11.557 296 1HE LYS 43 HE2 LYS 43 -10.888 1.846 11.268 297 2HE LYS 43 HE1 LYS 43 -9.129 1.821 11.389 298 1HZ LYS 43 HZ1 LYS 43 -9.634 1.287 13.512 299 2HZ LYS 43 HZ2 LYS 43 -11.133 2.070 13.491 300 3HZ LYS 43 HZ3 LYS 43 -9.714 2.968 13.689 301 H GLU 44 HN GLU 44 -8.969 5.179 13.270 302 HA GLU 44 HA GLU 44 -6.717 7.027 13.562 303 1HB GLU 44 HB2 GLU 44 -5.597 4.930 14.547 304 2HB GLU 44 HB1 GLU 44 -6.841 5.728 15.496 305 1HG GLU 44 HG2 GLU 44 -8.232 3.974 15.392 306 2HG GLU 44 HG1 GLU 44 -7.816 3.611 13.717 307 H ARG 45 HN ARG 45 -4.564 6.120 12.844 308 HA ARG 45 HA ARG 45 -4.813 5.325 10.071 309 1HB ARG 45 HB2 ARG 45 -2.886 6.733 11.673 310 2HB ARG 45 HB1 ARG 45 -2.088 5.423 10.814 311 1HG ARG 45 HG2 ARG 45 -3.743 6.613 8.918 312 2HG ARG 45 HG1 ARG 45 -3.048 7.955 9.830 313 1HD ARG 45 HD2 ARG 45 -1.356 5.704 8.787 314 2HD ARG 45 HD1 ARG 45 -1.757 7.101 7.789 315 HE ARG 45 HE ARG 45 0.065 7.019 10.029 316 1HH1 ARG 45 HH11 ARG 45 -1.860 9.044 7.935 317 2HH1 ARG 45 HH12 ARG 45 -0.916 10.463 8.235 318 1HH2 ARG 45 HH21 ARG 45 1.304 8.886 10.424 319 2HH2 ARG 45 HH22 ARG 45 0.880 10.375 9.647 320 H GLU 46 HN GLU 46 -4.307 3.390 9.204 321 HA GLU 46 HA GLU 46 -2.977 1.382 10.872 322 1HB GLU 46 HB2 GLU 46 -4.630 -0.303 10.339 323 2HB GLU 46 HB1 GLU 46 -5.418 1.066 11.109 324 1HG GLU 46 HG2 GLU 46 -6.694 1.480 9.335 325 2HG GLU 46 HG1 GLU 46 -5.355 1.266 8.208 326 H SER 47 HN SER 47 -2.360 -0.564 9.550 327 HA SER 47 HA SER 47 -1.457 0.349 6.918 328 1HB SER 47 HB2 SER 47 0.247 -0.344 8.634 329 2HB SER 47 HB1 SER 47 -0.381 -1.974 8.513 330 HG SER 47 HG SER 47 0.407 -0.614 6.190 331 H VAL 48 HN VAL 48 -1.065 -1.565 5.385 332 HA VAL 48 HA VAL 48 -3.328 -3.437 5.480 333 HB VAL 48 HB VAL 48 -2.469 -2.258 2.878 334 1HG1 VAL 48 HG11 VAL 48 -4.051 -4.319 3.342 335 2HG1 VAL 48 HG12 VAL 48 -4.365 -3.191 2.024 336 3HG1 VAL 48 HG13 VAL 48 -5.252 -3.043 3.541 337 1HG2 VAL 48 HG21 VAL 48 -3.110 -0.232 3.609 338 2HG2 VAL 48 HG22 VAL 48 -3.958 -0.897 5.006 339 3HG2 VAL 48 HG23 VAL 48 -4.743 -0.874 3.426 340 H ALA 49 HN ALA 49 -0.592 -2.740 3.298 341 HA ALA 49 HA ALA 49 0.473 -5.403 3.830 342 1HB ALA 49 HB1 ALA 49 -1.150 -5.401 1.827 343 2HB ALA 49 HB2 ALA 49 0.427 -6.169 1.637 344 3HB ALA 49 HB3 ALA 49 0.145 -4.557 0.977 345 H ALA 50 HN ALA 50 2.634 -5.440 3.897 346 HA ALA 50 HA ALA 50 4.103 -3.237 2.618 347 1HB ALA 50 HB1 ALA 50 5.299 -4.118 5.121 348 2HB ALA 50 HB2 ALA 50 3.706 -3.387 5.328 349 3HB ALA 50 HB3 ALA 50 4.992 -2.489 4.519 350 H ILE 51 HN ILE 51 6.143 -3.720 1.853 351 HA ILE 51 HA ILE 51 6.905 -6.565 1.966 352 HB ILE 51 HB ILE 51 6.028 -5.999 -0.247 353 1HG1 ILE 51 HG12 ILE 51 9.029 -6.321 -0.382 354 2HG1 ILE 51 HG11 ILE 51 7.930 -7.623 0.065 355 1HG2 ILE 51 HG21 ILE 51 8.159 -4.358 -1.225 356 2HG2 ILE 51 HG22 ILE 51 7.391 -3.576 0.157 357 3HG2 ILE 51 HG23 ILE 51 6.422 -4.054 -1.236 358 1HD1 ILE 51 HD11 ILE 51 7.530 -8.081 -2.059 359 2HD1 ILE 51 HD12 ILE 51 8.773 -6.907 -2.493 360 3HD1 ILE 51 HD13 ILE 51 7.085 -6.407 -2.392 361 H ASN 52 HN ASN 52 9.039 -7.069 2.201 362 HA ASN 52 HA ASN 52 10.730 -4.990 3.259 363 1HB ASN 52 HB2 ASN 52 10.805 -7.951 3.100 364 2HB ASN 52 HB1 ASN 52 12.332 -7.103 3.273 365 1HD2 ASN 52 HD21 ASN 52 9.289 -7.852 4.756 366 2HD2 ASN 52 HD22 ASN 52 9.707 -7.335 6.350 367 H TRP 53 HN TRP 53 13.222 -5.465 2.549 368 HA TRP 53 HA TRP 53 13.247 -4.817 -0.304 369 1HB TRP 53 HB2 TRP 53 14.422 -3.496 1.695 370 2HB TRP 53 HB1 TRP 53 15.714 -4.643 1.357 371 HD1 TRP 53 HD1 TRP 53 17.224 -4.163 -0.695 372 HE1 TRP 53 HE1 TRP 53 17.286 -2.327 -2.500 373 HE3 TRP 53 HE3 TRP 53 12.738 -1.918 0.282 374 HZ2 TRP 53 HZ2 TRP 53 15.645 -0.207 -3.390 375 HZ3 TRP 53 HZ3 TRP 53 12.057 0.007 -1.091 376 HH2 TRP 53 HH2 TRP 53 13.482 0.844 -2.889 377 H ASP 54 HN ASP 54 12.790 -7.208 -0.599 378 HA ASP 54 HA ASP 54 13.472 -9.250 -1.331 379 1HB ASP 54 HB2 ASP 54 15.384 -7.435 -2.241 380 2HB ASP 54 HB1 ASP 54 16.330 -8.734 -1.521 381 H SER 55 HN SER 55 13.495 -8.603 1.510 382 HA SER 55 HA SER 55 15.748 -10.036 2.626 383 1HB SER 55 HB2 SER 55 13.313 -9.188 4.175 384 2HB SER 55 HB1 SER 55 14.978 -9.347 4.734 385 HG SER 55 HG SER 55 14.067 -7.142 4.265 386 H ALA 56 HN ALA 56 12.202 -10.443 2.891 387 HA ALA 56 HA ALA 56 12.602 -13.335 2.714 388 1HB ALA 56 HB1 ALA 56 11.426 -11.844 5.001 389 2HB ALA 56 HB2 ALA 56 12.443 -13.285 4.993 390 3HB ALA 56 HB3 ALA 56 10.736 -13.409 4.570 391 H ARG 57 HN ARG 57 9.793 -11.295 3.486 392 HA ARG 57 HA ARG 57 8.630 -11.731 0.876 393 1HB ARG 57 HB2 ARG 57 7.551 -13.076 3.350 394 2HB ARG 57 HB1 ARG 57 6.547 -12.774 1.942 395 1HG ARG 57 HG2 ARG 57 9.047 -14.446 2.011 396 2HG ARG 57 HG1 ARG 57 7.388 -15.040 1.928 397 1HD ARG 57 HD2 ARG 57 7.584 -13.234 -0.175 398 2HD ARG 57 HD1 ARG 57 9.123 -14.093 -0.190 399 HE ARG 57 HE ARG 57 8.027 -15.974 -0.891 400 1HH1 ARG 57 HH11 ARG 57 5.684 -13.704 0.350 401 2HH1 ARG 57 HH12 ARG 57 4.320 -14.628 -0.184 402 1HH2 ARG 57 HH21 ARG 57 6.235 -17.189 -1.597 403 2HH2 ARG 57 HH22 ARG 57 4.633 -16.607 -1.290 404 H THR 58 HN THR 58 5.925 -11.231 1.680 405 HA THR 58 HA THR 58 6.163 -8.397 2.340 406 HB THR 58 HB THR 58 3.494 -9.305 1.622 407 HG1 THR 58 HG1 THR 58 4.279 -10.796 0.296 408 1HG2 THR 58 HG21 THR 58 5.191 -7.078 1.145 409 2HG2 THR 58 HG22 THR 58 3.459 -7.240 0.864 410 3HG2 THR 58 HG23 THR 58 4.605 -7.699 -0.396 411 H TYR 59 HN TYR 59 3.885 -7.663 3.381 412 HA TYR 59 HA TYR 59 3.267 -9.389 5.662 413 1HB TYR 59 HB2 TYR 59 4.954 -7.933 6.536 414 2HB TYR 59 HB1 TYR 59 4.212 -6.523 5.794 415 HD1 TYR 59 HD1 TYR 59 2.823 -5.175 7.063 416 HD2 TYR 59 HD2 TYR 59 3.482 -9.189 8.308 417 HE1 TYR 59 HE1 TYR 59 1.555 -4.736 9.123 418 HE2 TYR 59 HE2 TYR 59 2.215 -8.762 10.372 419 HH TYR 59 HH TYR 59 1.536 -5.791 11.532 420 H TYR 60 HN TYR 60 1.203 -9.770 4.859 421 HA TYR 60 HA TYR 60 -0.504 -7.605 4.052 422 1HB TYR 60 HB2 TYR 60 -0.987 -10.555 4.474 423 2HB TYR 60 HB1 TYR 60 -2.225 -9.437 3.925 424 HD1 TYR 60 HD1 TYR 60 -1.869 -8.213 1.739 425 HD2 TYR 60 HD2 TYR 60 0.565 -11.480 2.965 426 HE1 TYR 60 HE1 TYR 60 -1.117 -8.516 -0.582 427 HE2 TYR 60 HE2 TYR 60 1.324 -11.792 0.647 428 HH TYR 60 HH TYR 60 1.400 -9.877 -1.538 429 H ALA 61 HN ALA 61 -2.573 -7.149 5.069 430 HA ALA 61 HA ALA 61 -2.406 -7.398 7.996 431 1HB ALA 61 HB1 ALA 61 -3.679 -5.368 8.154 432 2HB ALA 61 HB2 ALA 61 -3.949 -5.351 6.411 433 3HB ALA 61 HB3 ALA 61 -2.326 -5.103 7.055 434 H SER 62 HN SER 62 -4.723 -7.115 9.004 435 HA SER 62 HA SER 62 -6.183 -9.428 8.266 436 1HB SER 62 HB2 SER 62 -7.892 -8.175 9.940 437 2HB SER 62 HB1 SER 62 -6.492 -9.088 10.503 438 HG SER 62 HG SER 62 -6.982 -6.610 11.013 439 H SER 63 HN SER 63 -8.333 -9.572 7.531 440 HA SER 63 HA SER 63 -10.249 -8.924 6.431 441 1HB SER 63 HB2 SER 63 -9.823 -6.592 7.484 442 2HB SER 63 HB1 SER 63 -9.124 -6.180 5.918 443 HG SER 63 HG SER 63 -11.060 -6.054 5.122 444 H VAL 64 HN VAL 64 -7.052 -8.788 5.380 445 HA VAL 64 HA VAL 64 -7.845 -9.529 2.699 446 HB VAL 64 HB VAL 64 -6.368 -7.911 1.589 447 1HG1 VAL 64 HG11 VAL 64 -7.822 -5.980 1.772 448 2HG1 VAL 64 HG12 VAL 64 -8.463 -6.580 3.302 449 3HG1 VAL 64 HG13 VAL 64 -8.776 -7.463 1.807 450 1HG2 VAL 64 HG21 VAL 64 -6.247 -6.067 3.861 451 2HG2 VAL 64 HG22 VAL 64 -5.022 -6.466 2.656 452 3HG2 VAL 64 HG23 VAL 64 -5.261 -7.517 4.052 453 H ARG 65 HN ARG 65 -6.260 -10.458 5.199 454 HA ARG 65 HA ARG 65 -3.597 -10.796 4.325 455 1HB ARG 65 HB2 ARG 65 -4.743 -10.923 6.720 456 2HB ARG 65 HB1 ARG 65 -4.815 -12.631 6.319 457 1HG ARG 65 HG2 ARG 65 -2.212 -11.492 5.777 458 2HG ARG 65 HG1 ARG 65 -2.694 -11.293 7.461 459 1HD ARG 65 HD2 ARG 65 -1.986 -13.385 7.774 460 2HD ARG 65 HD1 ARG 65 -3.419 -13.893 6.882 461 HE ARG 65 HE ARG 65 -1.568 -13.374 4.949 462 1HH1 ARG 65 HH11 ARG 65 -1.652 -15.422 7.773 463 2HH1 ARG 65 HH12 ARG 65 -0.591 -16.612 7.096 464 1HH2 ARG 65 HH21 ARG 65 -0.174 -14.937 4.055 465 2HH2 ARG 65 HH22 ARG 65 0.248 -16.337 4.983 466 H GLY 66 HN GLY 66 -4.007 -11.575 2.228 467 1HA GLY 66 HA2 GLY 66 -3.336 -13.758 1.227 468 2HA GLY 66 HA1 GLY 66 -4.672 -14.442 2.141 469 H ARG 67 HN ARG 67 -5.594 -11.429 1.151 470 HA ARG 67 HA ARG 67 -6.954 -12.545 -1.216 471 1HB ARG 67 HB2 ARG 67 -7.927 -10.112 0.241 472 2HB ARG 67 HB1 ARG 67 -8.835 -11.252 -0.743 473 1HG ARG 67 HG2 ARG 67 -8.527 -12.956 1.024 474 2HG ARG 67 HG1 ARG 67 -7.734 -11.733 2.017 475 1HD ARG 67 HD2 ARG 67 -10.105 -10.534 1.216 476 2HD ARG 67 HD1 ARG 67 -10.554 -12.205 1.553 477 HE ARG 67 HE ARG 67 -8.948 -10.889 3.578 478 1HH1 ARG 67 HH11 ARG 67 -12.156 -11.751 2.496 479 2HH1 ARG 67 HH12 ARG 67 -12.857 -11.617 4.072 480 1HH2 ARG 67 HH21 ARG 67 -9.873 -10.713 5.649 481 2HH2 ARG 67 HH22 ARG 67 -11.563 -11.026 5.861 482 H PHE 68 HN PHE 68 -5.416 -9.631 0.083 483 HA PHE 68 HA PHE 68 -5.457 -8.308 -2.489 484 1HB PHE 68 HB2 PHE 68 -4.448 -7.597 0.248 485 2HB PHE 68 HB1 PHE 68 -3.959 -6.647 -1.149 486 HD1 PHE 68 HD1 PHE 68 -5.028 -4.749 0.098 487 HD2 PHE 68 HD2 PHE 68 -7.256 -8.063 -1.375 488 HE1 PHE 68 HE1 PHE 68 -7.096 -3.432 0.270 489 HE2 PHE 68 HE2 PHE 68 -9.328 -6.749 -1.206 490 HZ PHE 68 HZ PHE 68 -9.250 -4.430 -0.382 491 H THR 69 HN THR 69 -3.590 -7.692 -3.676 492 HA THR 69 HA THR 69 -1.283 -9.474 -3.241 493 HB THR 69 HB THR 69 -2.063 -8.190 -5.858 494 HG1 THR 69 HG1 THR 69 -2.991 -10.219 -6.361 495 1HG2 THR 69 HG21 THR 69 -0.103 -9.009 -6.496 496 2HG2 THR 69 HG22 THR 69 -0.854 -10.600 -6.371 497 3HG2 THR 69 HG23 THR 69 0.078 -9.956 -5.019 498 H ILE 70 HN ILE 70 0.795 -8.671 -3.535 499 HA ILE 70 HA ILE 70 1.296 -5.904 -4.101 500 HB ILE 70 HB ILE 70 0.419 -5.789 -1.819 501 1HG1 ILE 70 HG12 ILE 70 2.126 -4.176 -2.641 502 2HG1 ILE 70 HG11 ILE 70 2.144 -4.390 -0.895 503 1HG2 ILE 70 HG21 ILE 70 1.063 -7.972 -1.031 504 2HG2 ILE 70 HG22 ILE 70 1.720 -6.731 0.041 505 3HG2 ILE 70 HG23 ILE 70 2.769 -7.533 -1.129 506 1HD1 ILE 70 HD11 ILE 70 3.969 -6.236 -1.714 507 2HD1 ILE 70 HD12 ILE 70 4.342 -4.606 -1.153 508 3HD1 ILE 70 HD13 ILE 70 4.196 -4.934 -2.879 509 H SER 71 HN SER 71 3.359 -5.599 -4.740 510 HA SER 71 HA SER 71 5.541 -7.182 -3.835 511 1HB SER 71 HB2 SER 71 6.013 -8.169 -6.160 512 2HB SER 71 HB1 SER 71 4.759 -8.946 -5.193 513 HG SER 71 HG SER 71 3.231 -7.657 -6.386 514 H ARG 72 HN ARG 72 7.560 -6.526 -4.722 515 HA ARG 72 HA ARG 72 7.578 -3.772 -5.541 516 1HB ARG 72 HB2 ARG 72 9.233 -4.861 -3.957 517 2HB ARG 72 HB1 ARG 72 9.941 -5.642 -5.364 518 1HG ARG 72 HG2 ARG 72 10.216 -3.294 -6.317 519 2HG ARG 72 HG1 ARG 72 9.873 -2.723 -4.684 520 1HD ARG 72 HD2 ARG 72 12.312 -2.984 -5.262 521 2HD ARG 72 HD1 ARG 72 11.777 -3.814 -3.801 522 HE ARG 72 HE ARG 72 11.735 -5.446 -6.175 523 1HH1 ARG 72 HH11 ARG 72 13.658 -4.334 -3.484 524 2HH1 ARG 72 HH12 ARG 72 14.736 -5.688 -3.534 525 1HH2 ARG 72 HH21 ARG 72 13.150 -7.228 -6.241 526 2HH2 ARG 72 HH22 ARG 72 14.447 -7.332 -5.098 527 H ASP 73 HN ASP 73 8.117 -2.922 -7.512 528 HA ASP 73 HA ASP 73 7.847 -4.674 -9.781 529 1HB ASP 73 HB2 ASP 73 7.181 -2.072 -9.323 530 2HB ASP 73 HB1 ASP 73 8.641 -1.883 -10.283 531 H ASN 74 HN ASN 74 10.433 -2.907 -8.208 532 HA ASN 74 HA ASN 74 12.696 -3.055 -8.388 533 1HB ASN 74 HB2 ASN 74 11.943 -5.578 -8.800 534 2HB ASN 74 HB1 ASN 74 12.587 -5.245 -10.405 535 1HD2 ASN 74 HD21 ASN 74 14.750 -5.102 -10.699 536 2HD2 ASN 74 HD22 ASN 74 15.913 -5.379 -9.452 537 H ALA 75 HN ALA 75 11.040 -1.474 -10.250 538 HA ALA 75 HA ALA 75 12.829 -1.375 -12.576 539 1HB ALA 75 HB1 ALA 75 10.098 -0.128 -12.313 540 2HB ALA 75 HB2 ALA 75 10.405 -1.712 -13.025 541 3HB ALA 75 HB3 ALA 75 11.074 -0.262 -13.776 542 H LYS 76 HN LYS 76 11.262 0.600 -10.103 543 HA LYS 76 HA LYS 76 13.468 2.464 -10.154 544 1HB LYS 76 HB2 LYS 76 10.808 3.111 -11.290 545 2HB LYS 76 HB1 LYS 76 11.519 4.328 -10.238 546 1HG LYS 76 HG2 LYS 76 12.900 3.137 -12.632 547 2HG LYS 76 HG1 LYS 76 12.012 4.662 -12.640 548 1HD LYS 76 HD2 LYS 76 14.025 5.557 -12.170 549 2HD LYS 76 HD1 LYS 76 13.661 5.040 -10.522 550 1HE LYS 76 HE2 LYS 76 15.201 3.393 -10.561 551 2HE LYS 76 HE1 LYS 76 14.875 2.989 -12.246 552 1HZ LYS 76 HZ1 LYS 76 16.799 4.862 -11.125 553 2HZ LYS 76 HZ2 LYS 76 16.034 5.346 -12.554 554 3HZ LYS 76 HZ3 LYS 76 16.907 3.898 -12.511 555 H LYS 77 HN LYS 77 12.497 0.629 -8.233 556 HA LYS 77 HA LYS 77 12.049 0.486 -6.009 557 1HB LYS 77 HB2 LYS 77 12.619 3.449 -6.154 558 2HB LYS 77 HB1 LYS 77 12.370 2.576 -4.649 559 1HG LYS 77 HG2 LYS 77 14.361 1.421 -4.834 560 2HG LYS 77 HG1 LYS 77 14.456 1.661 -6.580 561 1HD LYS 77 HD2 LYS 77 14.495 4.231 -5.640 562 2HD LYS 77 HD1 LYS 77 15.389 3.365 -4.389 563 1HE LYS 77 HE2 LYS 77 16.383 2.337 -6.762 564 2HE LYS 77 HE1 LYS 77 16.172 4.055 -7.097 565 1HZ LYS 77 HZ1 LYS 77 18.345 3.713 -6.218 566 2HZ LYS 77 HZ2 LYS 77 17.749 2.848 -4.892 567 3HZ LYS 77 HZ3 LYS 77 17.436 4.504 -5.030 568 H THR 78 HN THR 78 9.841 0.321 -7.436 569 HA THR 78 HA THR 78 7.897 2.009 -6.004 570 HB THR 78 HB THR 78 7.738 0.951 -8.830 571 HG1 THR 78 HG1 THR 78 7.679 3.619 -7.887 572 1HG2 THR 78 HG21 THR 78 5.529 0.912 -7.650 573 2HG2 THR 78 HG22 THR 78 5.609 1.950 -9.074 574 3HG2 THR 78 HG23 THR 78 5.683 2.661 -7.462 575 H VAL 79 HN VAL 79 5.998 1.047 -5.315 576 HA VAL 79 HA VAL 79 6.047 -1.897 -5.243 577 HB VAL 79 HB VAL 79 4.747 -1.763 -3.181 578 1HG1 VAL 79 HG11 VAL 79 7.410 -1.362 -3.449 579 2HG1 VAL 79 HG12 VAL 79 6.587 -1.577 -1.905 580 3HG1 VAL 79 HG13 VAL 79 6.954 0.046 -2.490 581 1HG2 VAL 79 HG21 VAL 79 4.284 0.899 -4.001 582 2HG2 VAL 79 HG22 VAL 79 5.164 0.974 -2.475 583 3HG2 VAL 79 HG23 VAL 79 3.651 0.074 -2.577 584 H TYR 80 HN TYR 80 4.250 -3.028 -5.854 585 HA TYR 80 HA TYR 80 1.915 -1.446 -6.703 586 1HB TYR 80 HB2 TYR 80 3.195 -3.770 -8.145 587 2HB TYR 80 HB1 TYR 80 1.648 -3.064 -8.586 588 HD1 TYR 80 HD1 TYR 80 1.650 -1.573 -10.314 589 HD2 TYR 80 HD2 TYR 80 5.151 -1.940 -7.928 590 HE1 TYR 80 HE1 TYR 80 2.803 0.033 -11.771 591 HE2 TYR 80 HE2 TYR 80 6.311 -0.329 -9.378 592 HH TYR 80 HH TYR 80 4.667 1.545 -11.726 593 H LEU 81 HN LEU 81 0.055 -2.083 -5.804 594 HA LEU 81 HA LEU 81 -0.097 -4.829 -4.782 595 1HB LEU 81 HB2 LEU 81 -0.840 -4.175 -2.757 596 2HB LEU 81 HB1 LEU 81 0.026 -2.707 -3.158 597 HG LEU 81 HG LEU 81 -2.920 -3.011 -3.711 598 1HD1 LEU 81 HD11 LEU 81 -2.363 -3.407 -1.291 599 2HD1 LEU 81 HD12 LEU 81 -3.433 -2.043 -1.616 600 3HD1 LEU 81 HD13 LEU 81 -1.731 -1.761 -1.250 601 1HD2 LEU 81 HD21 LEU 81 -2.344 -1.125 -4.821 602 2HD2 LEU 81 HD22 LEU 81 -0.906 -0.854 -3.838 603 3HD2 LEU 81 HD23 LEU 81 -2.496 -0.416 -3.214 604 H GLN 82 HN GLN 82 -1.597 -6.002 -5.669 605 HA GLN 82 HA GLN 82 -3.765 -4.721 -7.145 606 1HB GLN 82 HB2 GLN 82 -2.057 -6.603 -7.952 607 2HB GLN 82 HB1 GLN 82 -3.294 -7.635 -7.261 608 1HG GLN 82 HG2 GLN 82 -4.970 -6.634 -8.716 609 2HG GLN 82 HG1 GLN 82 -3.741 -5.572 -9.401 610 1HE2 GLN 82 HE21 GLN 82 -5.071 -8.749 -9.346 611 2HE2 GLN 82 HE22 GLN 82 -4.137 -9.397 -10.647 612 H MET 83 HN MET 83 -5.317 -4.295 -5.612 613 HA MET 83 HA MET 83 -6.068 -6.288 -3.666 614 1HB MET 83 HB2 MET 83 -7.543 -3.734 -4.285 615 2HB MET 83 HB1 MET 83 -7.552 -4.652 -2.788 616 1HG MET 83 HG2 MET 83 -5.362 -3.998 -2.262 617 2HG MET 83 HG1 MET 83 -5.098 -3.333 -3.871 618 1HE MET 83 HE1 MET 83 -7.774 -1.076 -4.276 619 2HE MET 83 HE2 MET 83 -6.179 -1.551 -4.859 620 3HE MET 83 HE3 MET 83 -6.386 -0.020 -4.010 621 H ASN 84 HN ASN 84 -6.861 -8.040 -4.828 622 HA ASN 84 HA ASN 84 -8.971 -7.682 -6.755 623 1HB ASN 84 HB2 ASN 84 -8.578 -10.416 -5.812 624 2HB ASN 84 HB1 ASN 84 -8.468 -9.756 -7.432 625 1HD2 ASN 84 HD21 ASN 84 -6.569 -9.932 -8.352 626 2HD2 ASN 84 HD22 ASN 84 -5.047 -10.012 -7.540 627 H SER 85 HN SER 85 -10.871 -9.349 -6.468 628 HA SER 85 HA SER 85 -12.965 -9.283 -5.451 629 1HB SER 85 HB2 SER 85 -13.064 -11.010 -3.800 630 2HB SER 85 HB1 SER 85 -11.814 -11.450 -4.962 631 HG SER 85 HG SER 85 -10.334 -11.242 -3.463 632 H LEU 86 HN LEU 86 -12.399 -6.866 -4.994 633 HA LEU 86 HA LEU 86 -11.848 -6.046 -2.360 634 1HB LEU 86 HB2 LEU 86 -12.374 -4.817 -4.850 635 2HB LEU 86 HB1 LEU 86 -13.510 -4.135 -3.703 636 HG LEU 86 HG LEU 86 -11.346 -3.857 -2.216 637 1HD1 LEU 86 HD11 LEU 86 -9.687 -4.862 -3.490 638 2HD1 LEU 86 HD12 LEU 86 -9.481 -3.146 -3.844 639 3HD1 LEU 86 HD13 LEU 86 -10.303 -4.193 -5.001 640 1HD2 LEU 86 HD21 LEU 86 -11.208 -1.795 -4.224 641 2HD2 LEU 86 HD22 LEU 86 -11.780 -1.706 -2.559 642 3HD2 LEU 86 HD23 LEU 86 -12.884 -2.193 -3.845 643 H LYS 87 HN LYS 87 -13.344 -4.871 -0.938 644 HA LYS 87 HA LYS 87 -16.064 -6.003 -0.990 645 1HB LYS 87 HB2 LYS 87 -14.540 -5.491 1.557 646 2HB LYS 87 HB1 LYS 87 -15.993 -6.451 1.333 647 1HG LYS 87 HG2 LYS 87 -14.466 -8.117 1.534 648 2HG LYS 87 HG1 LYS 87 -14.399 -7.874 -0.213 649 1HD LYS 87 HD2 LYS 87 -12.405 -6.599 -0.047 650 2HD LYS 87 HD1 LYS 87 -12.555 -6.469 1.707 651 1HE LYS 87 HE2 LYS 87 -10.852 -8.133 0.839 652 2HE LYS 87 HE1 LYS 87 -12.008 -8.738 2.024 653 1HZ LYS 87 HZ1 LYS 87 -12.628 -9.012 -0.832 654 2HZ LYS 87 HZ2 LYS 87 -13.088 -9.993 0.466 655 3HZ LYS 87 HZ3 LYS 87 -11.510 -10.075 -0.135 656 HA PRO 88 HA PRO 88 -17.502 -1.896 -0.272 657 1HB PRO 88 HB2 PRO 88 -19.646 -2.212 1.326 658 2HB PRO 88 HB1 PRO 88 -19.631 -2.775 -0.350 659 1HG PRO 88 HG2 PRO 88 -19.211 -4.327 2.174 660 2HG PRO 88 HG1 PRO 88 -20.156 -4.761 0.739 661 1HD PRO 88 HD2 PRO 88 -17.641 -5.699 1.227 662 2HD PRO 88 HD1 PRO 88 -18.308 -5.499 -0.404 663 H GLU 89 HN GLU 89 -15.870 -3.446 2.083 664 HA GLU 89 HA GLU 89 -16.267 -1.330 4.075 665 1HB GLU 89 HB2 GLU 89 -16.651 -3.405 5.118 666 2HB GLU 89 HB1 GLU 89 -15.312 -4.175 4.280 667 1HG GLU 89 HG2 GLU 89 -13.716 -3.080 5.634 668 2HG GLU 89 HG1 GLU 89 -14.932 -2.000 6.313 669 H ASP 90 HN ASP 90 -14.235 -2.230 1.595 670 HA ASP 90 HA ASP 90 -11.737 -1.476 2.823 671 1HB ASP 90 HB2 ASP 90 -12.596 -2.382 0.108 672 2HB ASP 90 HB1 ASP 90 -11.055 -1.550 0.273 673 H THR 91 HN THR 91 -14.346 0.166 1.353 674 HA THR 91 HA THR 91 -13.177 2.271 0.022 675 HB THR 91 HB THR 91 -15.631 2.229 1.772 676 HG1 THR 91 HG1 THR 91 -15.412 0.797 -0.145 677 1HG2 THR 91 HG21 THR 91 -14.812 4.223 -0.324 678 2HG2 THR 91 HG22 THR 91 -15.110 4.529 1.387 679 3HG2 THR 91 HG23 THR 91 -16.444 4.074 0.327 680 H ALA 92 HN ALA 92 -11.486 3.412 0.762 681 HA ALA 92 HA ALA 92 -11.800 5.193 2.951 682 1HB ALA 92 HB1 ALA 92 -9.556 3.905 3.940 683 2HB ALA 92 HB2 ALA 92 -10.663 2.593 3.536 684 3HB ALA 92 HB3 ALA 92 -11.178 3.874 4.633 685 H VAL 93 HN VAL 93 -9.258 5.834 3.612 686 HA VAL 93 HA VAL 93 -8.192 6.804 1.073 687 HB VAL 93 HB VAL 93 -7.575 7.578 3.925 688 1HG1 VAL 93 HG11 VAL 93 -5.665 8.427 3.145 689 2HG1 VAL 93 HG12 VAL 93 -6.641 9.581 2.236 690 3HG1 VAL 93 HG13 VAL 93 -6.115 8.079 1.475 691 1HG2 VAL 93 HG21 VAL 93 -8.835 9.535 3.548 692 2HG2 VAL 93 HG22 VAL 93 -9.815 8.209 2.921 693 3HG2 VAL 93 HG23 VAL 93 -8.914 9.242 1.810 694 H TYR 94 HN TYR 94 -6.800 5.403 0.149 695 HA TYR 94 HA TYR 94 -5.092 3.725 1.759 696 1HB TYR 94 HB2 TYR 94 -5.901 3.903 -1.093 697 2HB TYR 94 HB1 TYR 94 -4.349 3.172 -0.742 698 HD1 TYR 94 HD1 TYR 94 -4.213 0.950 0.081 699 HD2 TYR 94 HD2 TYR 94 -7.969 2.943 -0.036 700 HE1 TYR 94 HE1 TYR 94 -5.347 -1.168 0.610 701 HE2 TYR 94 HE2 TYR 94 -9.114 0.833 0.493 702 HH TYR 94 HH TYR 94 -8.662 -1.616 0.262 703 H THR 95 HN THR 95 -3.405 4.790 2.639 704 HA THR 95 HA THR 95 -1.815 6.542 0.886 705 HB THR 95 HB THR 95 -1.987 6.425 3.903 706 HG1 THR 95 HG1 THR 95 -2.670 8.513 2.116 707 1HG2 THR 95 HG21 THR 95 -0.234 8.106 2.137 708 2HG2 THR 95 HG22 THR 95 0.247 7.046 3.462 709 3HG2 THR 95 HG23 THR 95 -0.633 8.537 3.800 710 H CYS 96 HN CYS 96 0.146 5.902 0.269 711 HA CYS 96 HA CYS 96 1.193 3.408 1.335 712 1HB CYS 96 HB2 CYS 96 2.740 3.462 -0.540 713 2HB CYS 96 HB1 CYS 96 1.100 3.749 -1.109 714 H GLY 97 HN GLY 97 3.223 3.159 2.258 715 1HA GLY 97 HA2 GLY 97 4.829 5.536 2.783 716 2HA GLY 97 HA1 GLY 97 4.121 4.746 4.184 717 H ALA 98 HN ALA 98 6.571 4.712 4.599 718 HA ALA 98 HA ALA 98 7.536 2.070 3.770 719 1HB ALA 98 HB1 ALA 98 9.819 2.967 3.487 720 2HB ALA 98 HB2 ALA 98 9.179 4.597 3.694 721 3HB ALA 98 HB3 ALA 98 8.676 3.621 2.314 722 H GLY 99 HN GLY 99 8.912 1.039 5.260 723 1HA GLY 99 HA2 GLY 99 8.738 2.182 7.965 724 2HA GLY 99 HA1 GLY 99 8.880 0.470 7.600 725 H GLU 100 HN GLU 100 10.501 2.183 9.369 726 HA GLU 100 HA GLU 100 13.112 1.517 8.209 727 1HB GLU 100 HB2 GLU 100 12.540 4.113 9.649 728 2HB GLU 100 HB1 GLU 100 14.079 3.612 8.964 729 1HG GLU 100 HG2 GLU 100 13.543 4.504 7.018 730 2HG GLU 100 HG1 GLU 100 12.093 3.507 6.926 731 H GLY 101 HN GLY 101 14.226 0.263 9.548 732 1HA GLY 101 HA2 GLY 101 14.975 -0.751 11.446 733 2HA GLY 101 HA1 GLY 101 14.636 0.762 12.268 734 H GLY 102 HN GLY 102 11.979 -0.737 10.689 735 1HA GLY 102 HA2 GLY 102 10.506 -2.399 11.622 736 2HA GLY 102 HA1 GLY 102 11.114 -1.980 13.215 737 H THR 103 HN THR 103 10.836 0.946 11.991 738 HA THR 103 HA THR 103 8.106 1.281 12.991 739 HB THR 103 HB THR 103 10.132 3.422 12.401 740 HG1 THR 103 HG1 THR 103 9.810 1.916 14.774 741 1HG2 THR 103 HG21 THR 103 8.839 4.291 14.571 742 2HG2 THR 103 HG22 THR 103 7.552 3.352 13.814 743 3HG2 THR 103 HG23 THR 103 8.329 4.662 12.923 744 H TRP 104 HN TRP 104 7.118 3.400 11.867 745 HA TRP 104 HA TRP 104 7.561 3.368 8.990 746 1HB TRP 104 HB2 TRP 104 4.862 2.809 10.237 747 2HB TRP 104 HB1 TRP 104 5.152 3.078 8.521 748 HD1 TRP 104 HD1 TRP 104 5.811 0.503 11.291 749 HE1 TRP 104 HE1 TRP 104 6.303 -1.772 10.185 750 HE3 TRP 104 HE3 TRP 104 5.971 1.994 6.405 751 HZ2 TRP 104 HZ2 TRP 104 6.709 -2.794 7.582 752 HZ3 TRP 104 HZ3 TRP 104 6.422 0.310 4.669 753 HH2 TRP 104 HH2 TRP 104 6.783 -2.035 5.247 754 H ASP 105 HN ASP 105 8.254 5.469 9.062 755 HA ASP 105 HA ASP 105 6.308 7.463 9.993 756 1HB ASP 105 HB2 ASP 105 8.302 7.667 11.268 757 2HB ASP 105 HB1 ASP 105 9.300 7.571 9.828 758 H SER 106 HN SER 106 7.741 6.143 7.227 759 HA SER 106 HA SER 106 7.597 8.565 5.644 760 1HB SER 106 HB2 SER 106 8.801 5.946 5.366 761 2HB SER 106 HB1 SER 106 7.889 6.371 3.921 762 HG SER 106 HG SER 106 9.785 7.314 3.548 763 H TRP 107 HN TRP 107 5.895 9.209 4.486 764 HA TRP 107 HA TRP 107 3.812 7.262 3.802 765 1HB TRP 107 HB2 TRP 107 3.146 9.983 4.923 766 2HB TRP 107 HB1 TRP 107 2.044 8.654 4.596 767 HD1 TRP 107 HD1 TRP 107 4.719 9.754 7.109 768 HE1 TRP 107 HE1 TRP 107 4.403 8.404 9.279 769 HE3 TRP 107 HE3 TRP 107 1.107 6.513 5.520 770 HZ2 TRP 107 HZ2 TRP 107 2.825 6.246 10.193 771 HZ3 TRP 107 HZ3 TRP 107 0.245 4.837 7.100 772 HH2 TRP 107 HH2 TRP 107 1.087 4.706 9.388 773 H GLY 108 HN GLY 108 2.261 8.137 2.186 774 1HA GLY 108 HA2 GLY 108 3.700 9.902 0.311 775 2HA GLY 108 HA1 GLY 108 2.566 8.648 -0.168 776 H GLN 109 HN GLN 109 1.559 10.355 -1.433 777 HA GLN 109 HA GLN 109 0.312 12.568 -0.124 778 1HB GLN 109 HB2 GLN 109 1.021 12.416 -2.572 779 2HB GLN 109 HB1 GLN 109 -0.439 11.470 -2.823 780 1HG GLN 109 HG2 GLN 109 -0.967 13.683 -3.422 781 2HG GLN 109 HG1 GLN 109 -1.726 13.401 -1.856 782 1HE2 GLN 109 HE21 GLN 109 -0.704 14.280 0.024 783 2HE2 GLN 109 HE22 GLN 109 0.281 15.694 -0.105 784 H GLY 110 HN GLY 110 -0.728 9.373 -1.188 785 1HA GLY 110 HA2 GLY 110 -2.428 8.169 -0.027 786 2HA GLY 110 HA1 GLY 110 -3.140 9.700 0.455 787 H THR 111 HN THR 111 -4.442 7.420 -0.766 788 HA THR 111 HA THR 111 -5.805 8.838 -2.884 789 HB THR 111 HB THR 111 -3.961 7.689 -4.079 790 HG1 THR 111 HG1 THR 111 -5.258 6.941 -5.657 791 1HG2 THR 111 HG21 THR 111 -3.371 5.586 -3.751 792 2HG2 THR 111 HG22 THR 111 -5.030 5.025 -3.959 793 3HG2 THR 111 HG23 THR 111 -4.471 5.556 -2.373 794 H GLN 112 HN GLN 112 -7.920 8.535 -2.547 795 HA GLN 112 HA GLN 112 -8.808 6.530 -0.714 796 1HB GLN 112 HB2 GLN 112 -9.692 9.021 -1.509 797 2HB GLN 112 HB1 GLN 112 -10.870 7.936 -2.215 798 1HG GLN 112 HG2 GLN 112 -10.221 7.312 0.559 799 2HG GLN 112 HG1 GLN 112 -10.910 8.917 0.338 800 1HE2 GLN 112 HE21 GLN 112 -11.674 6.184 -1.703 801 2HE2 GLN 112 HE22 GLN 112 -13.296 5.992 -1.174 802 H VAL 113 HN VAL 113 -10.074 4.756 -1.107 803 HA VAL 113 HA VAL 113 -10.309 3.929 -3.922 804 HB VAL 113 HB VAL 113 -9.868 2.307 -1.420 805 1HG1 VAL 113 HG11 VAL 113 -9.774 0.382 -3.180 806 2HG1 VAL 113 HG12 VAL 113 -10.798 1.456 -4.132 807 3HG1 VAL 113 HG13 VAL 113 -11.331 0.910 -2.543 808 1HG2 VAL 113 HG21 VAL 113 -8.244 2.667 -3.933 809 2HG2 VAL 113 HG22 VAL 113 -7.859 1.531 -2.640 810 3HG2 VAL 113 HG23 VAL 113 -7.852 3.266 -2.322 811 H THR 114 HN THR 114 -12.304 3.444 -4.664 812 HA THR 114 HA THR 114 -14.510 3.490 -2.731 813 HB THR 114 HB THR 114 -14.504 4.108 -5.688 814 HG1 THR 114 HG1 THR 114 -14.636 5.726 -3.374 815 1HG2 THR 114 HG21 THR 114 -16.677 3.278 -4.204 816 2HG2 THR 114 HG22 THR 114 -16.718 4.171 -5.724 817 3HG2 THR 114 HG23 THR 114 -16.794 5.037 -4.189 818 H VAL 115 HN VAL 115 -15.835 1.785 -2.525 819 HA VAL 115 HA VAL 115 -15.690 -0.361 -4.517 820 HB VAL 115 HB VAL 115 -16.040 -1.038 -1.623 821 1HG1 VAL 115 HG11 VAL 115 -16.419 -2.906 -2.904 822 2HG1 VAL 115 HG12 VAL 115 -14.696 -3.070 -2.571 823 3HG1 VAL 115 HG13 VAL 115 -15.237 -2.441 -4.128 824 1HG2 VAL 115 HG21 VAL 115 -13.440 -0.393 -2.980 825 2HG2 VAL 115 HG22 VAL 115 -13.524 -1.506 -1.615 826 3HG2 VAL 115 HG23 VAL 115 -14.041 0.169 -1.421 827 H SER 116 HN SER 116 -17.537 -1.912 -4.208 828 HA SER 116 HA SER 116 -19.954 -0.599 -3.194 829 1HB SER 116 HB2 SER 116 -21.087 -1.637 -5.313 830 2HB SER 116 HB1 SER 116 -20.230 -0.101 -5.451 831 HG SER 116 HG SER 116 -18.412 -1.293 -6.201 832 H SER 117 HN SER 117 -21.865 -2.347 -3.633 833 HA SER 117 HA SER 117 -20.873 -4.912 -2.575 834 1HB SER 117 HB2 SER 117 -22.227 -3.217 -1.036 835 2HB SER 117 HB1 SER 117 -23.606 -3.962 -1.844 836 HG SER 117 HG SER 117 -22.806 -5.994 -1.143 Start of MODEL 10 1 1H GLN 1 HT1 GLN 1 14.810 13.069 5.248 2 2H GLN 1 HT2 GLN 1 14.515 13.825 3.735 3 3H GLN 1 HT3 GLN 1 15.503 12.424 3.819 4 HA GLN 1 HA GLN 1 13.552 11.225 4.705 5 1HB GLN 1 HB2 GLN 1 12.026 13.549 3.538 6 2HB GLN 1 HB1 GLN 1 11.405 12.213 4.497 7 1HG GLN 1 HG2 GLN 1 13.226 14.384 5.512 8 2HG GLN 1 HG1 GLN 1 11.480 14.315 5.749 9 1HE2 GLN 1 HE21 GLN 1 12.347 14.486 8.022 10 2HE2 GLN 1 HE22 GLN 1 12.647 13.001 8.852 11 H VAL 2 HN VAL 2 11.532 10.926 2.891 12 HA VAL 2 HA VAL 2 12.850 10.833 0.265 13 HB VAL 2 HB VAL 2 11.130 8.534 0.628 14 1HG1 VAL 2 HG11 VAL 2 13.784 9.207 -0.441 15 2HG1 VAL 2 HG12 VAL 2 12.511 8.187 -1.111 16 3HG1 VAL 2 HG13 VAL 2 13.595 7.547 0.125 17 1HG2 VAL 2 HG21 VAL 2 13.329 8.934 2.630 18 2HG2 VAL 2 HG22 VAL 2 12.851 7.320 2.103 19 3HG2 VAL 2 HG23 VAL 2 11.677 8.374 2.892 20 H GLN 3 HN GLN 3 11.288 10.357 -1.512 21 HA GLN 3 HA GLN 3 8.795 11.818 -1.007 22 1HB GLN 3 HB2 GLN 3 10.439 11.338 -3.472 23 2HB GLN 3 HB1 GLN 3 8.758 11.832 -3.600 24 1HG GLN 3 HG2 GLN 3 10.205 13.751 -3.767 25 2HG GLN 3 HG1 GLN 3 9.254 13.837 -2.285 26 1HE2 GLN 3 HE21 GLN 3 12.369 13.776 -3.647 27 2HE2 GLN 3 HE22 GLN 3 13.272 13.807 -2.174 28 H LEU 4 HN LEU 4 6.804 11.052 -1.777 29 HA LEU 4 HA LEU 4 6.662 8.336 -2.812 30 1HB LEU 4 HB2 LEU 4 5.304 9.144 -0.239 31 2HB LEU 4 HB1 LEU 4 5.082 7.618 -1.072 32 HG LEU 4 HG LEU 4 7.762 7.573 -0.741 33 1HD1 LEU 4 HD11 LEU 4 7.948 9.618 0.467 34 2HD1 LEU 4 HD12 LEU 4 8.178 8.301 1.617 35 3HD1 LEU 4 HD13 LEU 4 6.638 9.161 1.556 36 1HD2 LEU 4 HD21 LEU 4 5.981 5.894 -0.100 37 2HD2 LEU 4 HD22 LEU 4 5.885 6.729 1.450 38 3HD2 LEU 4 HD23 LEU 4 7.396 5.969 0.950 39 H GLN 5 HN GLN 5 4.625 7.806 -3.730 40 HA GLN 5 HA GLN 5 2.447 9.656 -3.719 41 1HB GLN 5 HB2 GLN 5 4.461 10.318 -5.476 42 2HB GLN 5 HB1 GLN 5 3.364 9.392 -6.490 43 1HG GLN 5 HG2 GLN 5 1.649 11.040 -5.155 44 2HG GLN 5 HG1 GLN 5 3.073 12.061 -5.349 45 1HE2 GLN 5 HE21 GLN 5 0.627 10.206 -7.019 46 2HE2 GLN 5 HE22 GLN 5 0.818 10.970 -8.556 47 H GLU 6 HN GLU 6 0.680 8.942 -5.189 48 HA GLU 6 HA GLU 6 0.801 6.024 -5.587 49 1HB GLU 6 HB2 GLU 6 -1.906 6.903 -5.541 50 2HB GLU 6 HB1 GLU 6 -1.080 5.858 -4.397 51 1HG GLU 6 HG2 GLU 6 -1.051 8.862 -4.248 52 2HG GLU 6 HG1 GLU 6 -2.202 7.838 -3.391 53 H SER 7 HN SER 7 -0.623 5.175 -7.324 54 HA SER 7 HA SER 7 -1.413 6.990 -9.418 55 1HB SER 7 HB2 SER 7 0.832 6.957 -10.108 56 2HB SER 7 HB1 SER 7 1.031 5.255 -9.691 57 HG SER 7 HG SER 7 0.013 4.669 -11.507 58 H GLY 8 HN GLY 8 -3.217 6.197 -10.264 59 1HA GLY 8 HA2 GLY 8 -4.365 4.469 -11.481 60 2HA GLY 8 HA1 GLY 8 -3.487 3.277 -10.535 61 H GLY 9 HN GLY 9 -3.977 4.731 -8.013 62 1HA GLY 9 HA2 GLY 9 -6.165 3.383 -7.070 63 2HA GLY 9 HA1 GLY 9 -5.525 4.841 -6.337 64 H GLY 10 HN GLY 10 -8.282 3.721 -6.854 65 1HA GLY 10 HA2 GLY 10 -9.632 6.163 -7.162 66 2HA GLY 10 HA1 GLY 10 -9.643 5.331 -8.710 67 H LEU 11 HN LEU 11 -11.967 5.300 -8.456 68 HA LEU 11 HA LEU 11 -13.228 3.932 -6.360 69 1HB LEU 11 HB2 LEU 11 -14.292 4.415 -9.129 70 2HB LEU 11 HB1 LEU 11 -15.230 4.106 -7.676 71 HG LEU 11 HG LEU 11 -13.691 6.292 -7.000 72 1HD1 LEU 11 HD11 LEU 11 -12.946 6.960 -9.063 73 2HD1 LEU 11 HD12 LEU 11 -14.471 7.841 -8.968 74 3HD1 LEU 11 HD13 LEU 11 -14.371 6.347 -9.900 75 1HD2 LEU 11 HD21 LEU 11 -16.015 7.461 -7.625 76 2HD2 LEU 11 HD22 LEU 11 -15.815 6.423 -6.213 77 3HD2 LEU 11 HD23 LEU 11 -16.521 5.773 -7.693 78 H VAL 12 HN VAL 12 -14.266 1.890 -6.374 79 HA VAL 12 HA VAL 12 -13.823 0.041 -8.533 80 HB VAL 12 HB VAL 12 -11.650 -0.103 -7.466 81 1HG1 VAL 12 HG11 VAL 12 -11.292 -0.573 -5.198 82 2HG1 VAL 12 HG12 VAL 12 -12.973 -1.042 -4.941 83 3HG1 VAL 12 HG13 VAL 12 -12.561 0.652 -5.206 84 1HG2 VAL 12 HG21 VAL 12 -12.676 -2.148 -8.388 85 2HG2 VAL 12 HG22 VAL 12 -13.311 -2.526 -6.787 86 3HG2 VAL 12 HG23 VAL 12 -11.569 -2.486 -7.057 87 H GLN 13 HN GLN 13 -15.825 -0.759 -8.643 88 HA GLN 13 HA GLN 13 -17.586 -0.973 -6.447 89 1HB GLN 13 HB2 GLN 13 -17.617 -1.683 -9.295 90 2HB GLN 13 HB1 GLN 13 -18.686 -2.617 -8.267 91 1HG GLN 13 HG2 GLN 13 -20.166 -0.983 -8.372 92 2HG GLN 13 HG1 GLN 13 -19.030 0.062 -7.522 93 1HE2 GLN 13 HE21 GLN 13 -18.896 -1.306 -10.781 94 2HE2 GLN 13 HE22 GLN 13 -18.826 0.210 -11.605 95 H ALA 14 HN ALA 14 -18.440 -2.851 -5.451 96 HA ALA 14 HA ALA 14 -16.635 -4.664 -4.474 97 1HB ALA 14 HB1 ALA 14 -18.486 -4.746 -3.195 98 2HB ALA 14 HB2 ALA 14 -18.909 -6.095 -4.249 99 3HB ALA 14 HB3 ALA 14 -19.571 -4.490 -4.562 100 H GLY 15 HN GLY 15 -15.696 -6.483 -5.179 101 1HA GLY 15 HA2 GLY 15 -15.461 -8.474 -6.372 102 2HA GLY 15 HA1 GLY 15 -16.934 -8.094 -7.251 103 H GLY 16 HN GLY 16 -14.471 -5.673 -7.034 104 1HA GLY 16 HA2 GLY 16 -13.676 -6.280 -9.815 105 2HA GLY 16 HA1 GLY 16 -14.001 -4.643 -9.265 106 H SER 17 HN SER 17 -11.602 -6.821 -9.909 107 HA SER 17 HA SER 17 -9.753 -6.256 -7.839 108 1HB SER 17 HB2 SER 17 -8.115 -7.316 -9.314 109 2HB SER 17 HB1 SER 17 -9.598 -8.261 -9.267 110 HG SER 17 HG SER 17 -8.375 -7.258 -11.384 111 H LEU 18 HN LEU 18 -8.595 -4.485 -7.506 112 HA LEU 18 HA LEU 18 -8.024 -2.722 -9.791 113 1HB LEU 18 HB2 LEU 18 -9.782 -1.721 -8.434 114 2HB LEU 18 HB1 LEU 18 -8.798 -1.898 -6.993 115 HG LEU 18 HG LEU 18 -7.113 -0.429 -8.462 116 1HD1 LEU 18 HD11 LEU 18 -8.176 0.107 -10.383 117 2HD1 LEU 18 HD12 LEU 18 -8.857 1.383 -9.373 118 3HD1 LEU 18 HD13 LEU 18 -9.781 -0.087 -9.679 119 1HD2 LEU 18 HD21 LEU 18 -7.753 0.194 -6.259 120 2HD2 LEU 18 HD22 LEU 18 -9.411 0.518 -6.764 121 3HD2 LEU 18 HD23 LEU 18 -8.103 1.569 -7.306 122 H ARG 19 HN ARG 19 -5.949 -2.168 -10.027 123 HA ARG 19 HA ARG 19 -4.086 -2.941 -7.888 124 1HB ARG 19 HB2 ARG 19 -3.921 -4.012 -10.188 125 2HB ARG 19 HB1 ARG 19 -3.384 -2.444 -10.774 126 1HG ARG 19 HG2 ARG 19 -1.370 -2.570 -9.681 127 2HG ARG 19 HG1 ARG 19 -1.982 -3.684 -8.458 128 1HD ARG 19 HD2 ARG 19 -0.583 -4.995 -9.806 129 2HD ARG 19 HD1 ARG 19 -2.214 -5.372 -10.355 130 HE ARG 19 HE ARG 19 -1.759 -4.342 -12.371 131 1HH1 ARG 19 HH11 ARG 19 0.852 -3.766 -10.126 132 2HH1 ARG 19 HH12 ARG 19 1.914 -3.126 -11.333 133 1HH2 ARG 19 HH21 ARG 19 -0.362 -3.498 -13.958 134 2HH2 ARG 19 HH22 ARG 19 1.226 -2.972 -13.507 135 H LEU 20 HN LEU 20 -2.834 -1.459 -6.923 136 HA LEU 20 HA LEU 20 -2.823 1.262 -8.048 137 1HB LEU 20 HB2 LEU 20 -2.325 0.804 -5.147 138 2HB LEU 20 HB1 LEU 20 -3.020 2.195 -5.953 139 HG LEU 20 HG LEU 20 -4.423 -0.436 -5.478 140 1HD1 LEU 20 HD11 LEU 20 -4.219 2.066 -3.949 141 2HD1 LEU 20 HD12 LEU 20 -4.619 0.434 -3.415 142 3HD1 LEU 20 HD13 LEU 20 -5.855 1.443 -4.167 143 1HD2 LEU 20 HD21 LEU 20 -6.284 1.518 -6.109 144 2HD2 LEU 20 HD22 LEU 20 -5.747 0.200 -7.151 145 3HD2 LEU 20 HD23 LEU 20 -4.974 1.781 -7.260 146 H SER 21 HN SER 21 -0.901 2.435 -7.932 147 HA SER 21 HA SER 21 1.497 0.879 -7.239 148 1HB SER 21 HB2 SER 21 2.634 1.712 -9.194 149 2HB SER 21 HB1 SER 21 1.109 0.997 -9.713 150 HG SER 21 HG SER 21 0.316 2.956 -10.151 151 H CYS 22 HN CYS 22 2.828 1.862 -5.872 152 HA CYS 22 HA CYS 22 2.648 4.789 -5.617 153 1HB CYS 22 HB2 CYS 22 2.398 2.696 -3.597 154 2HB CYS 22 HB1 CYS 22 3.616 3.897 -3.178 155 H ALA 23 HN ALA 23 4.420 5.615 -6.506 156 HA ALA 23 HA ALA 23 6.904 4.158 -6.586 157 1HB ALA 23 HB1 ALA 23 7.708 6.341 -7.669 158 2HB ALA 23 HB2 ALA 23 6.012 6.824 -7.628 159 3HB ALA 23 HB3 ALA 23 6.498 5.385 -8.526 160 H ALA 24 HN ALA 24 8.964 5.219 -5.945 161 HA ALA 24 HA ALA 24 8.765 7.056 -3.690 162 1HB ALA 24 HB1 ALA 24 10.509 4.740 -3.157 163 2HB ALA 24 HB2 ALA 24 8.775 4.426 -3.107 164 3HB ALA 24 HB3 ALA 24 9.477 5.662 -2.064 165 H SER 25 HN SER 25 11.342 6.942 -2.774 166 HA SER 25 HA SER 25 12.894 7.697 -5.162 167 1HB SER 25 HB2 SER 25 12.241 9.241 -2.919 168 2HB SER 25 HB1 SER 25 13.933 8.801 -2.689 169 HG SER 25 HG SER 25 12.759 10.420 -4.603 170 H GLY 26 HN GLY 26 15.072 7.119 -5.286 171 1HA GLY 26 HA2 GLY 26 15.737 4.617 -4.125 172 2HA GLY 26 HA1 GLY 26 16.812 5.631 -5.075 173 H ARG 27 HN ARG 27 15.552 5.035 -1.843 174 HA ARG 27 HA ARG 27 18.086 5.867 -0.714 175 1HB ARG 27 HB2 ARG 27 16.640 7.936 -0.849 176 2HB ARG 27 HB1 ARG 27 15.545 7.155 0.284 177 1HG ARG 27 HG2 ARG 27 18.412 7.353 1.027 178 2HG ARG 27 HG1 ARG 27 17.428 8.817 1.083 179 1HD ARG 27 HD2 ARG 27 15.816 7.652 2.531 180 2HD ARG 27 HD1 ARG 27 16.844 6.220 2.502 181 HE ARG 27 HE ARG 27 18.189 8.593 3.410 182 1HH1 ARG 27 HH11 ARG 27 16.208 5.883 4.361 183 2HH1 ARG 27 HH12 ARG 27 16.723 5.925 6.013 184 1HH2 ARG 27 HH21 ARG 27 18.869 8.650 5.584 185 2HH2 ARG 27 HH22 ARG 27 18.233 7.497 6.708 186 H THR 28 HN THR 28 18.543 4.039 0.339 187 HA THR 28 HA THR 28 16.672 3.146 2.400 188 HB THR 28 HB THR 28 17.245 0.742 1.744 189 HG1 THR 28 HG1 THR 28 18.924 1.280 0.280 190 1HG2 THR 28 HG21 THR 28 15.213 0.663 0.891 191 2HG2 THR 28 HG22 THR 28 15.756 1.482 -0.574 192 3HG2 THR 28 HG23 THR 28 15.207 2.426 0.812 193 H GLY 29 HN GLY 29 17.934 1.122 3.549 194 1HA GLY 29 HA2 GLY 29 20.340 0.511 4.036 195 2HA GLY 29 HA1 GLY 29 20.569 2.240 4.227 196 H SER 30 HN SER 30 17.831 2.377 5.448 197 HA SER 30 HA SER 30 18.579 1.422 8.128 198 1HB SER 30 HB2 SER 30 18.368 3.978 7.592 199 2HB SER 30 HB1 SER 30 16.635 3.665 7.683 200 HG SER 30 HG SER 30 16.785 3.380 9.780 201 H THR 31 HN THR 31 17.417 -0.414 6.629 202 HA THR 31 HA THR 31 15.660 -1.828 6.382 203 HB THR 31 HB THR 31 15.993 -1.856 8.878 204 HG1 THR 31 HG1 THR 31 13.466 -2.373 7.734 205 1HG2 THR 31 HG21 THR 31 15.266 0.076 9.840 206 2HG2 THR 31 HG22 THR 31 13.847 -0.946 10.065 207 3HG2 THR 31 HG23 THR 31 13.884 0.234 8.756 208 H TYR 32 HN TYR 32 15.423 0.768 5.199 209 HA TYR 32 HA TYR 32 12.799 1.796 5.525 210 1HB TYR 32 HB2 TYR 32 14.427 3.273 4.636 211 2HB TYR 32 HB1 TYR 32 14.920 2.116 3.408 212 HD1 TYR 32 HD1 TYR 32 13.378 1.655 1.478 213 HD2 TYR 32 HD2 TYR 32 12.697 4.832 4.225 214 HE1 TYR 32 HE1 TYR 32 11.870 2.724 -0.142 215 HE2 TYR 32 HE2 TYR 32 11.186 5.909 2.612 216 HH TYR 32 HH TYR 32 10.845 5.901 0.119 217 H ASP 33 HN ASP 33 11.022 0.698 5.047 218 HA ASP 33 HA ASP 33 11.031 -1.068 2.689 219 1HB ASP 33 HB2 ASP 33 9.124 -1.185 5.032 220 2HB ASP 33 HB1 ASP 33 9.317 -2.377 3.751 221 H MET 34 HN MET 34 8.484 -1.392 2.073 222 HA MET 34 HA MET 34 7.187 1.221 1.967 223 1HB MET 34 HB2 MET 34 8.516 -0.084 -0.278 224 2HB MET 34 HB1 MET 34 6.830 0.281 -0.616 225 1HG MET 34 HG2 MET 34 7.800 2.585 0.578 226 2HG MET 34 HG1 MET 34 9.115 2.043 -0.461 227 1HE MET 34 HE1 MET 34 4.836 2.963 -1.863 228 2HE MET 34 HE2 MET 34 5.519 3.796 -0.466 229 3HE MET 34 HE3 MET 34 5.292 2.047 -0.427 230 H GLY 35 HN GLY 35 5.199 0.874 2.714 231 1HA GLY 35 HA2 GLY 35 3.698 -1.418 1.648 232 2HA GLY 35 HA1 GLY 35 3.785 -1.192 3.387 233 H TRP 36 HN TRP 36 1.385 -1.267 1.896 234 HA TRP 36 HA TRP 36 0.483 1.483 1.711 235 1HB TRP 36 HB2 TRP 36 -0.802 -1.137 1.043 236 2HB TRP 36 HB1 TRP 36 -1.651 0.387 0.947 237 HD1 TRP 36 HD1 TRP 36 1.390 -1.386 -0.642 238 HE1 TRP 36 HE1 TRP 36 1.717 -0.442 -3.015 239 HE3 TRP 36 HE3 TRP 36 -2.207 2.248 -0.574 240 HZ2 TRP 36 HZ2 TRP 36 0.595 1.576 -4.645 241 HZ3 TRP 36 HZ3 TRP 36 -2.516 3.640 -2.580 242 HH2 TRP 36 HH2 TRP 36 -1.142 3.310 -4.571 243 H PHE 37 HN PHE 37 -1.387 2.232 2.791 244 HA PHE 37 HA PHE 37 -2.118 0.776 5.224 245 1HB PHE 37 HB2 PHE 37 -0.925 3.493 4.941 246 2HB PHE 37 HB1 PHE 37 -2.176 3.279 6.149 247 HD1 PHE 37 HD1 PHE 37 -1.491 2.770 8.273 248 HD2 PHE 37 HD2 PHE 37 0.920 1.557 4.984 249 HE1 PHE 37 HE1 PHE 37 0.184 1.876 9.836 250 HE2 PHE 37 HE2 PHE 37 2.597 0.654 6.540 251 HZ PHE 37 HZ PHE 37 2.231 0.813 8.970 252 H ARG 38 HN ARG 38 -3.968 2.264 6.313 253 HA ARG 38 HA ARG 38 -5.731 3.399 4.311 254 1HB ARG 38 HB2 ARG 38 -7.323 1.646 5.923 255 2HB ARG 38 HB1 ARG 38 -7.211 1.747 4.179 256 1HG ARG 38 HG2 ARG 38 -5.638 0.073 4.046 257 2HG ARG 38 HG1 ARG 38 -5.105 0.292 5.714 258 1HD ARG 38 HD2 ARG 38 -6.484 -1.785 5.209 259 2HD ARG 38 HD1 ARG 38 -6.996 -0.799 6.575 260 HE ARG 38 HE ARG 38 -8.911 -0.218 5.426 261 1HH1 ARG 38 HH11 ARG 38 -6.745 -1.967 3.317 262 2HH1 ARG 38 HH12 ARG 38 -7.939 -2.205 2.087 263 1HH2 ARG 38 HH21 ARG 38 -10.478 -0.532 3.809 264 2HH2 ARG 38 HH22 ARG 38 -10.057 -1.390 2.365 265 H GLN 39 HN GLN 39 -7.533 4.567 5.216 266 HA GLN 39 HA GLN 39 -7.597 4.973 8.083 267 1HB GLN 39 HB2 GLN 39 -6.061 6.697 6.403 268 2HB GLN 39 HB1 GLN 39 -7.452 7.598 6.985 269 1HG GLN 39 HG2 GLN 39 -5.695 6.032 8.839 270 2HG GLN 39 HG1 GLN 39 -5.317 7.686 8.364 271 1HE2 GLN 39 HE21 GLN 39 -5.659 7.196 10.971 272 2HE2 GLN 39 HE22 GLN 39 -7.159 7.842 11.534 273 H ALA 40 HN ALA 40 -9.264 6.730 8.618 274 HA ALA 40 HA ALA 40 -11.296 7.238 6.648 275 1HB ALA 40 HB1 ALA 40 -13.091 6.025 7.792 276 2HB ALA 40 HB2 ALA 40 -11.916 5.350 8.920 277 3HB ALA 40 HB3 ALA 40 -11.839 4.928 7.209 278 HA PRO 41 HA PRO 41 -11.948 10.701 9.285 279 1HB PRO 41 HB2 PRO 41 -14.630 11.159 8.878 280 2HB PRO 41 HB1 PRO 41 -13.359 11.655 7.755 281 1HG PRO 41 HG2 PRO 41 -15.144 9.258 7.660 282 2HG PRO 41 HG1 PRO 41 -14.615 10.316 6.339 283 1HD PRO 41 HD2 PRO 41 -13.505 7.898 6.758 284 2HD PRO 41 HD1 PRO 41 -12.554 9.276 6.164 285 H GLY 42 HN GLY 42 -12.272 10.968 11.378 286 1HA GLY 42 HA2 GLY 42 -13.060 10.631 13.513 287 2HA GLY 42 HA1 GLY 42 -14.490 9.892 12.801 288 H LYS 43 HN LYS 43 -11.827 8.375 11.523 289 HA LYS 43 HA LYS 43 -12.010 6.210 13.502 290 1HB LYS 43 HB2 LYS 43 -12.775 6.017 10.998 291 2HB LYS 43 HB1 LYS 43 -11.056 5.828 10.697 292 1HG LYS 43 HG2 LYS 43 -11.814 4.114 12.850 293 2HG LYS 43 HG1 LYS 43 -12.913 3.867 11.491 294 1HD LYS 43 HD2 LYS 43 -10.855 3.711 10.029 295 2HD LYS 43 HD1 LYS 43 -9.914 3.634 11.519 296 1HE LYS 43 HE2 LYS 43 -10.526 1.417 10.441 297 2HE LYS 43 HE1 LYS 43 -10.894 1.591 12.157 298 1HZ LYS 43 HZ1 LYS 43 -12.898 2.112 10.039 299 2HZ LYS 43 HZ2 LYS 43 -13.166 1.890 11.694 300 3HZ LYS 43 HZ3 LYS 43 -12.685 0.583 10.733 301 H GLU 44 HN GLU 44 -9.955 4.710 13.166 302 HA GLU 44 HA GLU 44 -7.650 6.428 13.671 303 1HB GLU 44 HB2 GLU 44 -6.613 4.350 14.577 304 2HB GLU 44 HB1 GLU 44 -8.093 4.816 15.402 305 1HG GLU 44 HG2 GLU 44 -8.337 2.911 13.152 306 2HG GLU 44 HG1 GLU 44 -7.594 2.325 14.640 307 H ARG 45 HN ARG 45 -5.504 5.024 13.066 308 HA ARG 45 HA ARG 45 -5.726 4.611 10.167 309 1HB ARG 45 HB2 ARG 45 -3.952 5.948 9.962 310 2HB ARG 45 HB1 ARG 45 -3.997 6.226 11.693 311 1HG ARG 45 HG2 ARG 45 -2.645 3.804 11.410 312 2HG ARG 45 HG1 ARG 45 -2.052 4.814 10.094 313 1HD ARG 45 HD2 ARG 45 -1.230 6.432 11.545 314 2HD ARG 45 HD1 ARG 45 -2.257 5.898 12.876 315 HE ARG 45 HE ARG 45 0.353 4.989 12.304 316 1HH1 ARG 45 HH11 ARG 45 -2.759 3.825 13.374 317 2HH1 ARG 45 HH12 ARG 45 -2.097 2.484 14.246 318 1HH2 ARG 45 HH21 ARG 45 1.225 3.225 13.450 319 2HH2 ARG 45 HH22 ARG 45 0.165 2.145 14.292 320 H GLU 46 HN GLU 46 -4.935 2.791 9.196 321 HA GLU 46 HA GLU 46 -3.625 0.778 10.868 322 1HB GLU 46 HB2 GLU 46 -5.132 -0.970 10.229 323 2HB GLU 46 HB1 GLU 46 -6.089 0.352 10.881 324 1HG GLU 46 HG2 GLU 46 -6.482 1.087 8.507 325 2HG GLU 46 HG1 GLU 46 -5.756 -0.440 8.007 326 H SER 47 HN SER 47 -2.747 -1.041 9.533 327 HA SER 47 HA SER 47 -1.803 0.016 6.966 328 1HB SER 47 HB2 SER 47 -0.131 -0.500 8.792 329 2HB SER 47 HB1 SER 47 -0.534 -2.190 8.581 330 HG SER 47 HG SER 47 0.157 -0.715 6.315 331 H VAL 48 HN VAL 48 -1.137 -1.777 5.428 332 HA VAL 48 HA VAL 48 -3.142 -3.932 5.418 333 HB VAL 48 HB VAL 48 -2.306 -2.599 2.880 334 1HG1 VAL 48 HG11 VAL 48 -4.572 -4.370 3.731 335 2HG1 VAL 48 HG12 VAL 48 -3.354 -4.663 2.490 336 3HG1 VAL 48 HG13 VAL 48 -4.611 -3.456 2.223 337 1HG2 VAL 48 HG21 VAL 48 -3.292 -0.718 3.600 338 2HG2 VAL 48 HG22 VAL 48 -4.095 -1.538 4.938 339 3HG2 VAL 48 HG23 VAL 48 -4.795 -1.597 3.321 340 H ALA 49 HN ALA 49 -0.443 -2.942 3.300 341 HA ALA 49 HA ALA 49 0.874 -5.487 3.893 342 1HB ALA 49 HB1 ALA 49 -0.617 -5.636 1.819 343 2HB ALA 49 HB2 ALA 49 1.054 -6.179 1.668 344 3HB ALA 49 HB3 ALA 49 0.580 -4.599 1.044 345 H ALA 50 HN ALA 50 3.098 -5.517 3.580 346 HA ALA 50 HA ALA 50 4.352 -3.005 2.733 347 1HB ALA 50 HB1 ALA 50 5.995 -3.422 4.687 348 2HB ALA 50 HB2 ALA 50 4.674 -4.374 5.368 349 3HB ALA 50 HB3 ALA 50 4.438 -2.662 5.018 350 H ILE 51 HN ILE 51 6.295 -3.218 1.705 351 HA ILE 51 HA ILE 51 7.251 -5.978 1.304 352 HB ILE 51 HB ILE 51 6.263 -5.083 -0.735 353 1HG1 ILE 51 HG12 ILE 51 9.095 -4.900 -1.506 354 2HG1 ILE 51 HG11 ILE 51 8.705 -6.301 -0.512 355 1HG2 ILE 51 HG21 ILE 51 7.750 -2.712 0.031 356 2HG2 ILE 51 HG22 ILE 51 6.367 -2.881 -1.050 357 3HG2 ILE 51 HG23 ILE 51 8.000 -3.148 -1.659 358 1HD1 ILE 51 HD11 ILE 51 8.589 -6.630 -3.002 359 2HD1 ILE 51 HD12 ILE 51 7.167 -5.588 -2.988 360 3HD1 ILE 51 HD13 ILE 51 7.156 -7.108 -2.093 361 H ASN 52 HN ASN 52 9.418 -6.386 1.404 362 HA ASN 52 HA ASN 52 11.026 -4.358 2.710 363 1HB ASN 52 HB2 ASN 52 11.162 -7.292 2.354 364 2HB ASN 52 HB1 ASN 52 12.680 -6.436 2.557 365 1HD2 ASN 52 HD21 ASN 52 9.447 -6.648 3.980 366 2HD2 ASN 52 HD22 ASN 52 9.970 -6.485 5.619 367 H TRP 53 HN TRP 53 13.527 -4.717 2.002 368 HA TRP 53 HA TRP 53 13.577 -4.043 -0.861 369 1HB TRP 53 HB2 TRP 53 14.345 -2.422 1.091 370 2HB TRP 53 HB1 TRP 53 15.836 -3.350 0.964 371 HD1 TRP 53 HD1 TRP 53 17.463 -2.710 -0.940 372 HE1 TRP 53 HE1 TRP 53 17.399 -1.033 -2.892 373 HE3 TRP 53 HE3 TRP 53 12.554 -1.312 -0.649 374 HZ2 TRP 53 HZ2 TRP 53 15.516 0.658 -4.142 375 HZ3 TRP 53 HZ3 TRP 53 11.701 0.340 -2.260 376 HH2 TRP 53 HH2 TRP 53 13.153 1.305 -3.970 377 H ASP 54 HN ASP 54 15.019 -6.009 1.647 378 HA ASP 54 HA ASP 54 16.020 -7.868 -0.293 379 1HB ASP 54 HB2 ASP 54 18.394 -7.745 0.610 380 2HB ASP 54 HB1 ASP 54 17.899 -6.423 -0.442 381 H SER 55 HN SER 55 14.212 -7.798 2.005 382 HA SER 55 HA SER 55 15.551 -9.335 4.067 383 1HB SER 55 HB2 SER 55 13.902 -7.763 4.835 384 2HB SER 55 HB1 SER 55 12.687 -8.421 3.739 385 HG SER 55 HG SER 55 12.179 -9.641 5.367 386 H ALA 56 HN ALA 56 12.404 -9.994 2.561 387 HA ALA 56 HA ALA 56 13.321 -12.574 1.601 388 1HB ALA 56 HB1 ALA 56 12.293 -12.454 4.151 389 2HB ALA 56 HB2 ALA 56 12.378 -13.893 3.136 390 3HB ALA 56 HB3 ALA 56 10.900 -12.931 3.180 391 H ARG 57 HN ARG 57 10.122 -11.256 2.441 392 HA ARG 57 HA ARG 57 9.498 -10.991 -0.400 393 1HB ARG 57 HB2 ARG 57 7.737 -12.546 1.504 394 2HB ARG 57 HB1 ARG 57 7.432 -12.257 -0.202 395 1HG ARG 57 HG2 ARG 57 8.400 -14.212 -0.591 396 2HG ARG 57 HG1 ARG 57 9.930 -13.446 -0.166 397 1HD ARG 57 HD2 ARG 57 9.991 -15.170 1.313 398 2HD ARG 57 HD1 ARG 57 9.080 -14.017 2.288 399 HE ARG 57 HE ARG 57 7.446 -15.733 0.650 400 1HH1 ARG 57 HH11 ARG 57 9.041 -15.369 3.733 401 2HH1 ARG 57 HH12 ARG 57 7.991 -16.479 4.548 402 1HH2 ARG 57 HH21 ARG 57 6.065 -17.193 1.719 403 2HH2 ARG 57 HH22 ARG 57 6.301 -17.516 3.405 404 H THR 58 HN THR 58 6.583 -10.962 1.058 405 HA THR 58 HA THR 58 6.767 -8.096 1.691 406 HB THR 58 HB THR 58 4.106 -9.070 1.006 407 HG1 THR 58 HG1 THR 58 6.065 -9.098 -1.037 408 1HG2 THR 58 HG21 THR 58 4.360 -6.757 0.993 409 2HG2 THR 58 HG22 THR 58 4.346 -7.206 -0.712 410 3HG2 THR 58 HG23 THR 58 5.872 -6.837 0.090 411 H TYR 59 HN TYR 59 4.531 -7.520 2.901 412 HA TYR 59 HA TYR 59 4.118 -9.443 5.074 413 1HB TYR 59 HB2 TYR 59 5.698 -7.954 6.016 414 2HB TYR 59 HB1 TYR 59 4.922 -6.549 5.304 415 HD1 TYR 59 HD1 TYR 59 3.305 -5.340 6.490 416 HD2 TYR 59 HD2 TYR 59 4.456 -9.195 7.875 417 HE1 TYR 59 HE1 TYR 59 2.029 -4.970 8.557 418 HE2 TYR 59 HE2 TYR 59 3.181 -8.836 9.948 419 HH TYR 59 HH TYR 59 2.004 -5.801 10.881 420 H TYR 60 HN TYR 60 2.051 -9.928 4.282 421 HA TYR 60 HA TYR 60 0.150 -7.841 3.745 422 1HB TYR 60 HB2 TYR 60 -0.198 -10.833 3.996 423 2HB TYR 60 HB1 TYR 60 -1.422 -9.716 3.426 424 HD1 TYR 60 HD1 TYR 60 1.954 -11.043 2.653 425 HD2 TYR 60 HD2 TYR 60 -1.520 -9.090 1.165 426 HE1 TYR 60 HE1 TYR 60 2.802 -11.293 0.359 427 HE2 TYR 60 HE2 TYR 60 -0.682 -9.335 -1.132 428 HH TYR 60 HH TYR 60 2.358 -9.914 -1.929 429 H ALA 61 HN ALA 61 -1.787 -7.478 4.918 430 HA ALA 61 HA ALA 61 -1.469 -7.866 7.790 431 1HB ALA 61 HB1 ALA 61 -1.999 -5.636 7.214 432 2HB ALA 61 HB2 ALA 61 -3.479 -6.322 7.886 433 3HB ALA 61 HB3 ALA 61 -3.303 -6.144 6.140 434 H SER 62 HN SER 62 -3.433 -8.470 9.074 435 HA SER 62 HA SER 62 -4.592 -10.838 7.933 436 1HB SER 62 HB2 SER 62 -5.461 -9.893 10.613 437 2HB SER 62 HB1 SER 62 -5.019 -11.515 10.080 438 HG SER 62 HG SER 62 -2.807 -10.669 9.992 439 H SER 63 HN SER 63 -5.418 -8.381 6.757 440 HA SER 63 HA SER 63 -8.291 -8.426 7.390 441 1HB SER 63 HB2 SER 63 -6.993 -6.242 7.819 442 2HB SER 63 HB1 SER 63 -6.890 -6.107 6.063 443 HG SER 63 HG SER 63 -9.223 -6.276 6.064 444 H VAL 64 HN VAL 64 -5.826 -8.865 5.053 445 HA VAL 64 HA VAL 64 -7.772 -9.727 3.084 446 HB VAL 64 HB VAL 64 -6.722 -8.420 1.264 447 1HG1 VAL 64 HG11 VAL 64 -8.793 -7.634 2.279 448 2HG1 VAL 64 HG12 VAL 64 -7.776 -6.274 1.802 449 3HG1 VAL 64 HG13 VAL 64 -7.874 -6.750 3.497 450 1HG2 VAL 64 HG21 VAL 64 -4.738 -7.941 3.135 451 2HG2 VAL 64 HG22 VAL 64 -5.554 -6.384 2.971 452 3HG2 VAL 64 HG23 VAL 64 -4.886 -7.184 1.548 453 H ARG 65 HN ARG 65 -5.459 -10.746 4.800 454 HA ARG 65 HA ARG 65 -3.277 -11.400 3.218 455 1HB ARG 65 HB2 ARG 65 -3.773 -11.663 5.795 456 2HB ARG 65 HB1 ARG 65 -4.250 -13.282 5.313 457 1HG ARG 65 HG2 ARG 65 -1.571 -12.006 4.841 458 2HG ARG 65 HG1 ARG 65 -1.943 -13.236 6.051 459 1HD ARG 65 HD2 ARG 65 -2.802 -14.552 3.927 460 2HD ARG 65 HD1 ARG 65 -1.670 -13.485 3.099 461 HE ARG 65 HE ARG 65 -0.549 -14.815 5.388 462 1HH1 ARG 65 HH11 ARG 65 -1.199 -15.055 1.968 463 2HH1 ARG 65 HH12 ARG 65 0.056 -16.213 1.683 464 1HH2 ARG 65 HH21 ARG 65 1.104 -16.339 5.015 465 2HH2 ARG 65 HH22 ARG 65 1.362 -16.943 3.413 466 H GLY 66 HN GLY 66 -4.233 -11.889 1.244 467 1HA GLY 66 HA2 GLY 66 -4.092 -14.116 0.024 468 2HA GLY 66 HA1 GLY 66 -5.450 -14.558 1.047 469 H ARG 67 HN ARG 67 -5.736 -11.332 0.359 470 HA ARG 67 HA ARG 67 -7.561 -11.902 -1.881 471 1HB ARG 67 HB2 ARG 67 -7.722 -9.467 -0.124 472 2HB ARG 67 HB1 ARG 67 -8.974 -10.173 -1.137 473 1HG ARG 67 HG2 ARG 67 -8.851 -12.189 0.429 474 2HG ARG 67 HG1 ARG 67 -7.952 -11.125 1.513 475 1HD ARG 67 HD2 ARG 67 -10.068 -9.552 0.870 476 2HD ARG 67 HD1 ARG 67 -10.808 -11.152 0.822 477 HE ARG 67 HE ARG 67 -10.097 -9.710 3.134 478 1HH1 ARG 67 HH11 ARG 67 -10.012 -12.949 1.839 479 2HH1 ARG 67 HH12 ARG 67 -10.093 -13.708 3.393 480 1HH2 ARG 67 HH21 ARG 67 -10.205 -10.706 5.179 481 2HH2 ARG 67 HH22 ARG 67 -10.201 -12.434 5.290 482 H PHE 68 HN PHE 68 -5.284 -9.486 -0.618 483 HA PHE 68 HA PHE 68 -5.169 -8.231 -3.254 484 1HB PHE 68 HB2 PHE 68 -3.966 -7.362 -0.618 485 2HB PHE 68 HB1 PHE 68 -3.898 -6.444 -2.117 486 HD1 PHE 68 HD1 PHE 68 -6.996 -7.816 -2.348 487 HD2 PHE 68 HD2 PHE 68 -4.886 -4.998 0.047 488 HE1 PHE 68 HE1 PHE 68 -9.120 -6.721 -1.773 489 HE2 PHE 68 HE2 PHE 68 -7.009 -3.899 0.625 490 HZ PHE 68 HZ PHE 68 -9.131 -4.758 -0.286 491 H THR 69 HN THR 69 -3.033 -7.639 -4.142 492 HA THR 69 HA THR 69 -0.925 -9.555 -3.396 493 HB THR 69 HB THR 69 -1.821 -8.863 -6.210 494 HG1 THR 69 HG1 THR 69 -3.019 -10.471 -4.901 495 1HG2 THR 69 HG21 THR 69 -0.061 -11.078 -6.151 496 2HG2 THR 69 HG22 THR 69 0.723 -9.734 -5.318 497 3HG2 THR 69 HG23 THR 69 0.140 -9.529 -6.971 498 H ILE 70 HN ILE 70 0.306 -8.145 -2.381 499 HA ILE 70 HA ILE 70 1.129 -5.646 -3.633 500 HB ILE 70 HB ILE 70 0.634 -5.454 -1.324 501 1HG1 ILE 70 HG12 ILE 70 3.348 -5.455 -0.538 502 2HG1 ILE 70 HG11 ILE 70 3.334 -5.049 -2.250 503 1HG2 ILE 70 HG21 ILE 70 1.722 -8.103 -1.206 504 2HG2 ILE 70 HG22 ILE 70 0.686 -7.262 -0.053 505 3HG2 ILE 70 HG23 ILE 70 2.439 -7.092 0.052 506 1HD1 ILE 70 HD11 ILE 70 1.600 -3.318 -1.708 507 2HD1 ILE 70 HD12 ILE 70 3.221 -3.018 -1.077 508 3HD1 ILE 70 HD13 ILE 70 1.955 -3.623 -0.007 509 H SER 71 HN SER 71 3.140 -5.270 -4.477 510 HA SER 71 HA SER 71 5.370 -6.993 -3.962 511 1HB SER 71 HB2 SER 71 3.750 -7.349 -6.432 512 2HB SER 71 HB1 SER 71 5.504 -7.396 -6.605 513 HG SER 71 HG SER 71 4.124 -8.927 -4.668 514 H ARG 72 HN ARG 72 7.255 -6.388 -5.460 515 HA ARG 72 HA ARG 72 7.131 -3.492 -5.996 516 1HB ARG 72 HB2 ARG 72 9.519 -3.396 -5.429 517 2HB ARG 72 HB1 ARG 72 8.560 -3.994 -4.083 518 1HG ARG 72 HG2 ARG 72 9.185 -6.328 -4.886 519 2HG ARG 72 HG1 ARG 72 10.394 -5.528 -5.893 520 1HD ARG 72 HD2 ARG 72 11.710 -5.018 -4.134 521 2HD ARG 72 HD1 ARG 72 10.341 -4.684 -3.075 522 HE ARG 72 HE ARG 72 10.452 -6.836 -2.314 523 1HH1 ARG 72 HH11 ARG 72 12.282 -6.601 -5.275 524 2HH1 ARG 72 HH12 ARG 72 12.928 -8.202 -5.149 525 1HH2 ARG 72 HH21 ARG 72 11.297 -8.942 -2.148 526 2HH2 ARG 72 HH22 ARG 72 12.365 -9.534 -3.376 527 H ASP 73 HN ASP 73 7.942 -2.724 -7.900 528 HA ASP 73 HA ASP 73 8.179 -4.579 -10.055 529 1HB ASP 73 HB2 ASP 73 7.181 -2.354 -10.360 530 2HB ASP 73 HB1 ASP 73 8.733 -1.609 -9.996 531 H ASN 74 HN ASN 74 10.433 -2.824 -8.050 532 HA ASN 74 HA ASN 74 12.699 -2.868 -7.870 533 1HB ASN 74 HB2 ASN 74 11.907 -5.480 -8.213 534 2HB ASN 74 HB1 ASN 74 13.128 -5.291 -9.467 535 1HD2 ASN 74 HD21 ASN 74 13.708 -7.043 -7.599 536 2HD2 ASN 74 HD22 ASN 74 14.886 -6.440 -6.488 537 H ALA 75 HN ALA 75 11.358 -1.744 -10.320 538 HA ALA 75 HA ALA 75 13.674 -1.826 -12.129 539 1HB ALA 75 HB1 ALA 75 11.423 -2.691 -12.973 540 2HB ALA 75 HB2 ALA 75 12.268 -1.512 -13.976 541 3HB ALA 75 HB3 ALA 75 10.913 -1.003 -12.968 542 H LYS 76 HN LYS 76 11.230 0.228 -10.632 543 HA LYS 76 HA LYS 76 13.039 2.512 -10.968 544 1HB LYS 76 HB2 LYS 76 10.946 3.933 -11.321 545 2HB LYS 76 HB1 LYS 76 11.479 2.946 -12.674 546 1HG LYS 76 HG2 LYS 76 9.779 1.220 -11.587 547 2HG LYS 76 HG1 LYS 76 9.055 2.714 -10.990 548 1HD LYS 76 HD2 LYS 76 9.498 3.368 -13.579 549 2HD LYS 76 HD1 LYS 76 9.198 1.636 -13.727 550 1HE LYS 76 HE2 LYS 76 7.146 2.103 -12.227 551 2HE LYS 76 HE1 LYS 76 7.389 3.787 -12.689 552 1HZ LYS 76 HZ1 LYS 76 6.546 1.511 -14.329 553 2HZ LYS 76 HZ2 LYS 76 7.446 2.735 -15.072 554 3HZ LYS 76 HZ3 LYS 76 5.976 3.105 -14.321 555 H LYS 77 HN LYS 77 12.327 0.680 -8.732 556 HA LYS 77 HA LYS 77 11.937 0.780 -6.495 557 1HB LYS 77 HB2 LYS 77 12.490 3.693 -7.054 558 2HB LYS 77 HB1 LYS 77 12.241 3.063 -5.431 559 1HG LYS 77 HG2 LYS 77 14.592 3.239 -5.855 560 2HG LYS 77 HG1 LYS 77 14.151 1.532 -5.775 561 1HD LYS 77 HD2 LYS 77 14.643 1.170 -7.950 562 2HD LYS 77 HD1 LYS 77 14.046 2.752 -8.455 563 1HE LYS 77 HE2 LYS 77 16.297 3.303 -6.914 564 2HE LYS 77 HE1 LYS 77 16.747 1.894 -7.873 565 1HZ LYS 77 HZ1 LYS 77 15.629 3.351 -9.755 566 2HZ LYS 77 HZ2 LYS 77 17.262 3.514 -9.346 567 3HZ LYS 77 HZ3 LYS 77 16.126 4.609 -8.739 568 H THR 78 HN THR 78 9.657 0.500 -7.896 569 HA THR 78 HA THR 78 7.762 2.231 -6.451 570 HB THR 78 HB THR 78 7.435 1.094 -9.232 571 HG1 THR 78 HG1 THR 78 7.537 3.273 -9.851 572 1HG2 THR 78 HG21 THR 78 5.604 2.904 -7.678 573 2HG2 THR 78 HG22 THR 78 5.288 1.223 -8.109 574 3HG2 THR 78 HG23 THR 78 5.418 2.448 -9.371 575 H VAL 79 HN VAL 79 5.920 1.281 -5.630 576 HA VAL 79 HA VAL 79 5.959 -1.661 -5.539 577 HB VAL 79 HB VAL 79 4.744 -1.501 -3.430 578 1HG1 VAL 79 HG11 VAL 79 6.587 -1.088 -2.130 579 2HG1 VAL 79 HG12 VAL 79 7.058 0.335 -3.059 580 3HG1 VAL 79 HG13 VAL 79 7.340 -1.278 -3.713 581 1HG2 VAL 79 HG21 VAL 79 3.806 0.368 -2.625 582 2HG2 VAL 79 HG22 VAL 79 4.031 1.016 -4.250 583 3HG2 VAL 79 HG23 VAL 79 5.225 1.347 -2.995 584 H TYR 80 HN TYR 80 4.035 -2.814 -5.812 585 HA TYR 80 HA TYR 80 1.676 -1.275 -6.621 586 1HB TYR 80 HB2 TYR 80 2.733 -3.612 -8.209 587 2HB TYR 80 HB1 TYR 80 1.350 -2.603 -8.605 588 HD1 TYR 80 HD1 TYR 80 1.632 -0.918 -10.133 589 HD2 TYR 80 HD2 TYR 80 5.008 -2.307 -7.953 590 HE1 TYR 80 HE1 TYR 80 3.085 0.550 -11.461 591 HE2 TYR 80 HE2 TYR 80 6.471 -0.840 -9.273 592 HH TYR 80 HH TYR 80 5.460 0.680 -12.118 593 H LEU 81 HN LEU 81 -0.221 -2.113 -5.929 594 HA LEU 81 HA LEU 81 -0.180 -4.850 -4.870 595 1HB LEU 81 HB2 LEU 81 -0.936 -4.269 -2.829 596 2HB LEU 81 HB1 LEU 81 -0.149 -2.754 -3.215 597 HG LEU 81 HG LEU 81 -3.091 -3.242 -3.671 598 1HD1 LEU 81 HD11 LEU 81 -3.135 -3.338 -1.410 599 2HD1 LEU 81 HD12 LEU 81 -3.067 -1.584 -1.585 600 3HD1 LEU 81 HD13 LEU 81 -1.597 -2.493 -1.231 601 1HD2 LEU 81 HD21 LEU 81 -1.872 -1.422 -4.940 602 2HD2 LEU 81 HD22 LEU 81 -1.614 -0.641 -3.379 603 3HD2 LEU 81 HD23 LEU 81 -3.253 -0.909 -3.970 604 H GLN 82 HN GLN 82 -1.597 -6.083 -5.846 605 HA GLN 82 HA GLN 82 -3.816 -4.910 -7.308 606 1HB GLN 82 HB2 GLN 82 -2.110 -6.811 -8.042 607 2HB GLN 82 HB1 GLN 82 -3.306 -7.829 -7.260 608 1HG GLN 82 HG2 GLN 82 -5.028 -7.025 -8.725 609 2HG GLN 82 HG1 GLN 82 -3.912 -5.874 -9.456 610 1HE2 GLN 82 HE21 GLN 82 -4.996 -9.125 -9.343 611 2HE2 GLN 82 HE22 GLN 82 -4.041 -9.727 -10.650 612 H MET 83 HN MET 83 -5.591 -4.553 -6.116 613 HA MET 83 HA MET 83 -6.274 -6.401 -3.969 614 1HB MET 83 HB2 MET 83 -7.657 -3.830 -4.730 615 2HB MET 83 HB1 MET 83 -7.842 -4.729 -3.233 616 1HG MET 83 HG2 MET 83 -5.661 -4.179 -2.534 617 2HG MET 83 HG1 MET 83 -5.256 -3.509 -4.111 618 1HE MET 83 HE1 MET 83 -8.301 -1.226 -4.293 619 2HE MET 83 HE2 MET 83 -6.989 -2.002 -5.180 620 3HE MET 83 HE3 MET 83 -6.780 -0.370 -4.544 621 H ASN 84 HN ASN 84 -7.026 -8.198 -5.105 622 HA ASN 84 HA ASN 84 -9.182 -7.890 -7.001 623 1HB ASN 84 HB2 ASN 84 -8.670 -10.620 -6.122 624 2HB ASN 84 HB1 ASN 84 -8.622 -9.926 -7.729 625 1HD2 ASN 84 HD21 ASN 84 -6.790 -10.601 -8.584 626 2HD2 ASN 84 HD22 ASN 84 -5.226 -10.440 -7.866 627 H SER 85 HN SER 85 -11.011 -9.596 -6.706 628 HA SER 85 HA SER 85 -13.067 -9.712 -5.640 629 1HB SER 85 HB2 SER 85 -11.365 -11.668 -4.945 630 2HB SER 85 HB1 SER 85 -11.697 -11.004 -3.345 631 HG SER 85 HG SER 85 -13.511 -12.106 -5.210 632 H LEU 86 HN LEU 86 -11.973 -7.178 -5.081 633 HA LEU 86 HA LEU 86 -11.704 -6.382 -2.483 634 1HB LEU 86 HB2 LEU 86 -12.141 -5.130 -4.947 635 2HB LEU 86 HB1 LEU 86 -13.406 -4.522 -3.897 636 HG LEU 86 HG LEU 86 -11.190 -4.298 -2.296 637 1HD1 LEU 86 HD11 LEU 86 -9.493 -3.170 -3.703 638 2HD1 LEU 86 HD12 LEU 86 -10.371 -3.709 -5.135 639 3HD1 LEU 86 HD13 LEU 86 -9.653 -4.893 -4.043 640 1HD2 LEU 86 HD21 LEU 86 -12.177 -2.314 -2.167 641 2HD2 LEU 86 HD22 LEU 86 -13.018 -2.586 -3.693 642 3HD2 LEU 86 HD23 LEU 86 -11.408 -1.867 -3.689 643 H LYS 87 HN LYS 87 -13.189 -5.335 -1.003 644 HA LYS 87 HA LYS 87 -15.852 -6.596 -1.050 645 1HB LYS 87 HB2 LYS 87 -13.883 -6.126 1.136 646 2HB LYS 87 HB1 LYS 87 -15.591 -6.027 1.539 647 1HG LYS 87 HG2 LYS 87 -14.825 -8.242 1.994 648 2HG LYS 87 HG1 LYS 87 -15.895 -8.299 0.592 649 1HD LYS 87 HD2 LYS 87 -13.909 -9.696 0.267 650 2HD LYS 87 HD1 LYS 87 -13.965 -8.370 -0.895 651 1HE LYS 87 HE2 LYS 87 -11.711 -8.750 0.071 652 2HE LYS 87 HE1 LYS 87 -12.338 -7.127 0.358 653 1HZ LYS 87 HZ1 LYS 87 -12.972 -7.810 2.590 654 2HZ LYS 87 HZ2 LYS 87 -11.314 -8.035 2.342 655 3HZ LYS 87 HZ3 LYS 87 -12.361 -9.364 2.313 656 HA PRO 88 HA PRO 88 -17.666 -2.581 -0.761 657 1HB PRO 88 HB2 PRO 88 -19.918 -3.013 0.611 658 2HB PRO 88 HB1 PRO 88 -19.653 -3.758 -0.971 659 1HG PRO 88 HG2 PRO 88 -19.342 -4.952 1.757 660 2HG PRO 88 HG1 PRO 88 -20.081 -5.655 0.306 661 1HD PRO 88 HD2 PRO 88 -17.519 -6.191 1.143 662 2HD PRO 88 HD1 PRO 88 -18.063 -6.325 -0.540 663 H GLU 89 HN GLU 89 -16.078 -3.790 1.796 664 HA GLU 89 HA GLU 89 -16.804 -1.547 3.550 665 1HB GLU 89 HB2 GLU 89 -17.425 -3.489 4.720 666 2HB GLU 89 HB1 GLU 89 -16.009 -4.377 4.178 667 1HG GLU 89 HG2 GLU 89 -14.617 -3.348 5.709 668 2HG GLU 89 HG1 GLU 89 -15.713 -1.988 5.943 669 H ASP 90 HN ASP 90 -14.501 -2.566 1.443 670 HA ASP 90 HA ASP 90 -12.153 -1.893 2.972 671 1HB ASP 90 HB2 ASP 90 -12.696 -2.768 0.166 672 2HB ASP 90 HB1 ASP 90 -11.163 -1.981 0.523 673 H THR 91 HN THR 91 -14.541 -0.132 1.369 674 HA THR 91 HA THR 91 -13.236 1.925 0.098 675 HB THR 91 HB THR 91 -15.733 1.987 1.784 676 HG1 THR 91 HG1 THR 91 -16.409 0.828 0.191 677 1HG2 THR 91 HG21 THR 91 -15.920 3.803 -0.358 678 2HG2 THR 91 HG22 THR 91 -14.417 4.157 0.493 679 3HG2 THR 91 HG23 THR 91 -15.946 4.148 1.371 680 H ALA 92 HN ALA 92 -11.549 3.029 0.864 681 HA ALA 92 HA ALA 92 -11.819 4.782 3.075 682 1HB ALA 92 HB1 ALA 92 -11.148 3.516 4.770 683 2HB ALA 92 HB2 ALA 92 -9.587 3.318 3.973 684 3HB ALA 92 HB3 ALA 92 -10.878 2.150 3.688 685 H VAL 93 HN VAL 93 -9.551 5.765 3.633 686 HA VAL 93 HA VAL 93 -8.401 6.562 1.130 687 HB VAL 93 HB VAL 93 -8.835 8.084 3.090 688 1HG1 VAL 93 HG11 VAL 93 -6.212 7.154 4.189 689 2HG1 VAL 93 HG12 VAL 93 -7.731 6.429 4.714 690 3HG1 VAL 93 HG13 VAL 93 -7.451 8.153 4.949 691 1HG2 VAL 93 HG21 VAL 93 -6.389 7.959 1.444 692 2HG2 VAL 93 HG22 VAL 93 -6.363 9.094 2.794 693 3HG2 VAL 93 HG23 VAL 93 -7.618 9.219 1.560 694 H TYR 94 HN TYR 94 -7.095 5.120 0.158 695 HA TYR 94 HA TYR 94 -5.351 3.399 1.657 696 1HB TYR 94 HB2 TYR 94 -6.191 3.735 -1.162 697 2HB TYR 94 HB1 TYR 94 -4.598 3.054 -0.905 698 HD1 TYR 94 HD1 TYR 94 -4.378 0.763 -0.522 699 HD2 TYR 94 HD2 TYR 94 -8.146 2.628 0.134 700 HE1 TYR 94 HE1 TYR 94 -5.398 -1.442 -0.142 701 HE2 TYR 94 HE2 TYR 94 -9.175 0.429 0.517 702 HH TYR 94 HH TYR 94 -8.791 -1.897 0.006 703 H THR 95 HN THR 95 -3.752 4.561 2.654 704 HA THR 95 HA THR 95 -2.128 6.342 0.966 705 HB THR 95 HB THR 95 -2.041 6.188 3.973 706 HG1 THR 95 HG1 THR 95 -4.168 6.701 3.289 707 1HG2 THR 95 HG21 THR 95 -0.723 7.811 1.989 708 2HG2 THR 95 HG22 THR 95 -0.419 7.670 3.721 709 3HG2 THR 95 HG23 THR 95 -1.642 8.793 3.129 710 H CYS 96 HN CYS 96 -0.091 5.813 0.468 711 HA CYS 96 HA CYS 96 1.002 3.370 1.660 712 1HB CYS 96 HB2 CYS 96 2.523 3.316 -0.264 713 2HB CYS 96 HB1 CYS 96 0.844 3.396 -0.784 714 H GLY 97 HN GLY 97 2.993 3.296 2.639 715 1HA GLY 97 HA2 GLY 97 4.508 5.797 2.869 716 2HA GLY 97 HA1 GLY 97 3.936 5.026 4.341 717 H ALA 98 HN ALA 98 6.515 5.342 4.346 718 HA ALA 98 HA ALA 98 7.599 2.695 3.633 719 1HB ALA 98 HB1 ALA 98 9.248 5.208 3.645 720 2HB ALA 98 HB2 ALA 98 8.439 4.605 2.198 721 3HB ALA 98 HB3 ALA 98 9.669 3.625 2.995 722 H GLY 99 HN GLY 99 9.531 2.098 4.949 723 1HA GLY 99 HA2 GLY 99 9.061 2.926 7.733 724 2HA GLY 99 HA1 GLY 99 9.749 1.388 7.237 725 H GLU 100 HN GLU 100 11.112 2.513 9.134 726 HA GLU 100 HA GLU 100 13.668 2.958 8.063 727 1HB GLU 100 HB2 GLU 100 11.999 5.324 8.548 728 2HB GLU 100 HB1 GLU 100 13.590 5.398 9.293 729 1HG GLU 100 HG2 GLU 100 14.587 5.782 7.348 730 2HG GLU 100 HG1 GLU 100 13.725 4.463 6.558 731 H GLY 101 HN GLY 101 14.884 1.991 9.549 732 1HA GLY 101 HA2 GLY 101 15.747 1.352 11.560 733 2HA GLY 101 HA1 GLY 101 15.082 2.838 12.216 734 H GLY 102 HN GLY 102 12.774 0.793 10.745 735 1HA GLY 102 HA2 GLY 102 11.600 -1.044 11.772 736 2HA GLY 102 HA1 GLY 102 12.097 -0.424 13.339 737 H THR 103 HN THR 103 11.350 2.331 11.958 738 HA THR 103 HA THR 103 8.565 2.229 12.863 739 HB THR 103 HB THR 103 10.227 4.666 12.295 740 HG1 THR 103 HG1 THR 103 10.003 3.314 14.772 741 1HG2 THR 103 HG21 THR 103 7.642 4.189 13.620 742 2HG2 THR 103 HG22 THR 103 8.221 5.593 12.724 743 3HG2 THR 103 HG23 THR 103 8.724 5.345 14.396 744 H TRP 104 HN TRP 104 7.278 4.116 11.668 745 HA TRP 104 HA TRP 104 7.779 4.000 8.785 746 1HB TRP 104 HB2 TRP 104 5.166 3.330 10.150 747 2HB TRP 104 HB1 TRP 104 5.318 3.643 8.423 748 HD1 TRP 104 HD1 TRP 104 6.367 1.079 11.089 749 HE1 TRP 104 HE1 TRP 104 6.901 -1.146 9.905 750 HE3 TRP 104 HE3 TRP 104 5.993 2.634 6.234 751 HZ2 TRP 104 HZ2 TRP 104 7.136 -2.110 7.259 752 HZ3 TRP 104 HZ3 TRP 104 6.390 1.002 4.436 753 HH2 TRP 104 HH2 TRP 104 6.950 -1.321 4.941 754 H ASP 105 HN ASP 105 8.496 6.170 9.052 755 HA ASP 105 HA ASP 105 6.461 8.117 9.827 756 1HB ASP 105 HB2 ASP 105 8.480 8.537 10.951 757 2HB ASP 105 HB1 ASP 105 9.432 8.270 9.501 758 H SER 106 HN SER 106 7.660 6.679 7.036 759 HA SER 106 HA SER 106 7.297 9.020 5.350 760 1HB SER 106 HB2 SER 106 8.922 7.921 4.241 761 2HB SER 106 HB1 SER 106 8.590 6.412 5.086 762 HG SER 106 HG SER 106 7.024 7.407 2.941 763 H TRP 107 HN TRP 107 5.562 9.425 4.108 764 HA TRP 107 HA TRP 107 3.562 7.355 3.668 765 1HB TRP 107 HB2 TRP 107 2.785 10.029 4.834 766 2HB TRP 107 HB1 TRP 107 1.737 8.653 4.528 767 HD1 TRP 107 HD1 TRP 107 4.345 9.931 7.003 768 HE1 TRP 107 HE1 TRP 107 4.232 8.498 9.138 769 HE3 TRP 107 HE3 TRP 107 1.103 6.325 5.388 770 HZ2 TRP 107 HZ2 TRP 107 2.939 6.148 10.020 771 HZ3 TRP 107 HZ3 TRP 107 0.478 4.520 6.938 772 HH2 TRP 107 HH2 TRP 107 1.378 4.434 9.206 773 H GLY 108 HN GLY 108 1.851 8.116 2.150 774 1HA GLY 108 HA2 GLY 108 3.066 9.922 0.160 775 2HA GLY 108 HA1 GLY 108 1.951 8.618 -0.217 776 H GLN 109 HN GLN 109 0.997 10.515 -1.437 777 HA GLN 109 HA GLN 109 -0.347 12.559 0.014 778 1HB GLN 109 HB2 GLN 109 0.352 12.545 -2.455 779 2HB GLN 109 HB1 GLN 109 -1.113 11.616 -2.734 780 1HG GLN 109 HG2 GLN 109 -1.668 13.848 -3.192 781 2HG GLN 109 HG1 GLN 109 -2.370 13.494 -1.614 782 1HE2 GLN 109 HE21 GLN 109 0.362 15.011 -3.231 783 2HE2 GLN 109 HE22 GLN 109 0.711 16.146 -1.977 784 H GLY 110 HN GLY 110 -1.189 9.348 -1.065 785 1HA GLY 110 HA2 GLY 110 -2.854 8.061 0.062 786 2HA GLY 110 HA1 GLY 110 -3.689 9.553 0.465 787 H THR 111 HN THR 111 -4.760 7.146 -0.763 788 HA THR 111 HA THR 111 -5.981 8.422 -3.085 789 HB THR 111 HB THR 111 -4.327 7.159 -4.207 790 HG1 THR 111 HG1 THR 111 -5.960 6.556 -5.382 791 1HG2 THR 111 HG21 THR 111 -3.397 5.742 -2.592 792 2HG2 THR 111 HG22 THR 111 -4.107 4.671 -3.800 793 3HG2 THR 111 HG23 THR 111 -4.941 4.954 -2.272 794 H GLN 112 HN GLN 112 -7.990 8.552 -2.251 795 HA GLN 112 HA GLN 112 -9.137 6.658 -0.530 796 1HB GLN 112 HB2 GLN 112 -10.164 8.699 -0.355 797 2HB GLN 112 HB1 GLN 112 -10.154 8.981 -2.080 798 1HG GLN 112 HG2 GLN 112 -12.363 8.649 -1.833 799 2HG GLN 112 HG1 GLN 112 -11.900 6.959 -2.000 800 1HE2 GLN 112 HE21 GLN 112 -10.725 6.587 0.498 801 2HE2 GLN 112 HE22 GLN 112 -11.952 6.671 1.701 802 H VAL 113 HN VAL 113 -10.421 4.958 -0.808 803 HA VAL 113 HA VAL 113 -10.807 3.991 -3.561 804 HB VAL 113 HB VAL 113 -10.413 2.497 -0.972 805 1HG1 VAL 113 HG11 VAL 113 -11.879 1.012 -1.851 806 2HG1 VAL 113 HG12 VAL 113 -10.478 0.526 -2.808 807 3HG1 VAL 113 HG13 VAL 113 -11.677 1.623 -3.494 808 1HG2 VAL 113 HG21 VAL 113 -8.342 3.165 -1.913 809 2HG2 VAL 113 HG22 VAL 113 -8.844 2.678 -3.533 810 3HG2 VAL 113 HG23 VAL 113 -8.544 1.456 -2.298 811 H THR 114 HN THR 114 -12.849 4.089 -4.228 812 HA THR 114 HA THR 114 -14.996 4.210 -2.252 813 HB THR 114 HB THR 114 -14.945 4.851 -5.207 814 HG1 THR 114 HG1 THR 114 -15.286 6.978 -4.390 815 1HG2 THR 114 HG21 THR 114 -17.197 6.000 -3.986 816 2HG2 THR 114 HG22 THR 114 -17.206 4.288 -3.561 817 3HG2 THR 114 HG23 THR 114 -17.150 4.776 -5.255 818 H VAL 115 HN VAL 115 -16.203 2.494 -1.824 819 HA VAL 115 HA VAL 115 -16.901 0.607 -3.907 820 HB VAL 115 HB VAL 115 -15.918 -0.662 -1.403 821 1HG1 VAL 115 HG11 VAL 115 -15.106 -2.165 -3.537 822 2HG1 VAL 115 HG12 VAL 115 -16.582 -1.414 -4.145 823 3HG1 VAL 115 HG13 VAL 115 -16.624 -2.368 -2.662 824 1HG2 VAL 115 HG21 VAL 115 -14.077 0.253 -3.612 825 2HG2 VAL 115 HG22 VAL 115 -13.638 -0.871 -2.326 826 3HG2 VAL 115 HG23 VAL 115 -14.057 0.797 -1.935 827 H SER 116 HN SER 116 -18.518 -0.966 -3.117 828 HA SER 116 HA SER 116 -19.834 -0.983 -0.725 829 1HB SER 116 HB2 SER 116 -20.392 1.299 -0.738 830 2HB SER 116 HB1 SER 116 -20.738 1.297 -2.467 831 HG SER 116 HG SER 116 -22.306 0.371 -0.329 832 H SER 117 HN SER 117 -20.845 -0.450 -4.086 833 HA SER 117 HA SER 117 -21.981 -3.149 -4.123 834 1HB SER 117 HB2 SER 117 -23.632 -1.030 -3.740 835 2HB SER 117 HB1 SER 117 -23.607 -1.099 -5.503 836 HG SER 117 HG SER 117 -25.158 -2.481 -4.102 Start of MODEL 11 1 1H GLN 1 HT1 GLN 1 13.597 14.293 1.510 2 2H GLN 1 HT2 GLN 1 15.045 14.989 2.113 3 3H GLN 1 HT3 GLN 1 14.364 13.616 2.885 4 HA GLN 1 HA GLN 1 15.724 13.811 0.300 5 1HB GLN 1 HB2 GLN 1 16.084 12.438 2.929 6 2HB GLN 1 HB1 GLN 1 16.705 11.651 1.485 7 1HG GLN 1 HG2 GLN 1 17.658 14.173 1.167 8 2HG GLN 1 HG1 GLN 1 17.683 14.006 2.922 9 1HE2 GLN 1 HE21 GLN 1 18.679 11.952 3.727 10 2HE2 GLN 1 HE22 GLN 1 20.099 11.394 2.917 11 H VAL 2 HN VAL 2 13.224 12.156 2.087 12 HA VAL 2 HA VAL 2 12.892 10.269 -0.149 13 HB VAL 2 HB VAL 2 11.281 9.333 1.909 14 1HG1 VAL 2 HG11 VAL 2 13.893 8.556 0.723 15 2HG1 VAL 2 HG12 VAL 2 12.342 7.716 0.695 16 3HG1 VAL 2 HG13 VAL 2 13.331 7.694 2.155 17 1HG2 VAL 2 HG21 VAL 2 13.933 10.184 3.069 18 2HG2 VAL 2 HG22 VAL 2 12.732 9.167 3.864 19 3HG2 VAL 2 HG23 VAL 2 12.357 10.850 3.497 20 H GLN 3 HN GLN 3 10.716 9.752 -0.801 21 HA GLN 3 HA GLN 3 8.572 11.497 0.066 22 1HB GLN 3 HB2 GLN 3 8.105 12.234 -2.297 23 2HB GLN 3 HB1 GLN 3 9.534 12.948 -1.563 24 1HG GLN 3 HG2 GLN 3 10.590 10.757 -2.772 25 2HG GLN 3 HG1 GLN 3 9.285 11.180 -3.880 26 1HE2 GLN 3 HE21 GLN 3 11.068 11.594 -5.359 27 2HE2 GLN 3 HE22 GLN 3 11.847 13.136 -5.321 28 H LEU 4 HN LEU 4 6.552 11.025 -1.373 29 HA LEU 4 HA LEU 4 6.471 8.376 -2.512 30 1HB LEU 4 HB2 LEU 4 5.180 9.012 0.125 31 2HB LEU 4 HB1 LEU 4 4.540 7.759 -0.921 32 HG LEU 4 HG LEU 4 7.190 7.070 -0.782 33 1HD1 LEU 4 HD11 LEU 4 7.970 8.456 0.870 34 2HD1 LEU 4 HD12 LEU 4 7.438 7.074 1.828 35 3HD1 LEU 4 HD13 LEU 4 6.421 8.510 1.710 36 1HD2 LEU 4 HD21 LEU 4 4.882 6.196 0.948 37 2HD2 LEU 4 HD22 LEU 4 6.414 5.332 0.816 38 3HD2 LEU 4 HD23 LEU 4 5.377 5.509 -0.600 39 H GLN 5 HN GLN 5 4.894 8.204 -4.016 40 HA GLN 5 HA GLN 5 2.615 10.025 -3.936 41 1HB GLN 5 HB2 GLN 5 4.318 11.235 -5.216 42 2HB GLN 5 HB1 GLN 5 4.503 9.857 -6.292 43 1HG GLN 5 HG2 GLN 5 1.772 10.480 -6.297 44 2HG GLN 5 HG1 GLN 5 2.627 12.018 -6.405 45 1HE2 GLN 5 HE21 GLN 5 1.240 9.728 -8.204 46 2HE2 GLN 5 HE22 GLN 5 2.176 9.847 -9.651 47 H GLU 6 HN GLU 6 0.797 9.046 -4.548 48 HA GLU 6 HA GLU 6 0.932 6.329 -5.580 49 1HB GLU 6 HB2 GLU 6 -1.705 7.606 -5.157 50 2HB GLU 6 HB1 GLU 6 -1.141 6.010 -4.689 51 1HG GLU 6 HG2 GLU 6 -1.295 6.897 -2.628 52 2HG GLU 6 HG1 GLU 6 0.323 7.483 -3.012 53 H SER 7 HN SER 7 -0.645 5.670 -7.291 54 HA SER 7 HA SER 7 -1.671 7.581 -9.115 55 1HB SER 7 HB2 SER 7 -0.129 7.631 -10.827 56 2HB SER 7 HB1 SER 7 0.958 7.509 -9.445 57 HG SER 7 HG SER 7 1.615 5.957 -10.845 58 H GLY 8 HN GLY 8 -3.473 6.560 -9.671 59 1HA GLY 8 HA2 GLY 8 -4.199 4.776 -11.300 60 2HA GLY 8 HA1 GLY 8 -3.311 3.669 -10.264 61 H GLY 9 HN GLY 9 -4.243 5.189 -7.846 62 1HA GLY 9 HA2 GLY 9 -6.337 3.590 -7.078 63 2HA GLY 9 HA1 GLY 9 -5.957 5.135 -6.342 64 H GLY 10 HN GLY 10 -8.502 3.700 -7.068 65 1HA GLY 10 HA2 GLY 10 -10.044 5.974 -7.684 66 2HA GLY 10 HA1 GLY 10 -9.848 5.004 -9.135 67 H LEU 11 HN LEU 11 -12.301 5.190 -8.588 68 HA LEU 11 HA LEU 11 -13.370 3.520 -6.604 69 1HB LEU 11 HB2 LEU 11 -14.660 4.485 -9.145 70 2HB LEU 11 HB1 LEU 11 -15.495 3.852 -7.736 71 HG LEU 11 HG LEU 11 -13.842 5.941 -6.830 72 1HD1 LEU 11 HD11 LEU 11 -15.026 6.452 -9.487 73 2HD1 LEU 11 HD12 LEU 11 -13.614 7.172 -8.713 74 3HD1 LEU 11 HD13 LEU 11 -15.234 7.718 -8.276 75 1HD2 LEU 11 HD21 LEU 11 -16.307 5.008 -6.308 76 2HD2 LEU 11 HD22 LEU 11 -16.722 6.462 -7.217 77 3HD2 LEU 11 HD23 LEU 11 -15.729 6.583 -5.764 78 H VAL 12 HN VAL 12 -14.093 1.429 -6.671 79 HA VAL 12 HA VAL 12 -14.025 -0.057 -9.171 80 HB VAL 12 HB VAL 12 -11.740 -0.291 -8.369 81 1HG1 VAL 12 HG11 VAL 12 -12.881 -1.579 -5.897 82 2HG1 VAL 12 HG12 VAL 12 -12.283 0.079 -5.961 83 3HG1 VAL 12 HG13 VAL 12 -11.184 -1.267 -6.258 84 1HG2 VAL 12 HG21 VAL 12 -12.728 -2.171 -9.542 85 2HG2 VAL 12 HG22 VAL 12 -13.371 -2.805 -8.028 86 3HG2 VAL 12 HG23 VAL 12 -11.628 -2.747 -8.290 87 H GLN 13 HN GLN 13 -15.786 -1.287 -9.251 88 HA GLN 13 HA GLN 13 -17.596 -1.567 -7.152 89 1HB GLN 13 HB2 GLN 13 -17.304 -2.624 -9.859 90 2HB GLN 13 HB1 GLN 13 -18.221 -3.652 -8.773 91 1HG GLN 13 HG2 GLN 13 -19.967 -2.250 -8.701 92 2HG GLN 13 HG1 GLN 13 -18.944 -0.814 -8.695 93 1HE2 GLN 13 HE21 GLN 13 -20.308 -3.323 -10.743 94 2HE2 GLN 13 HE22 GLN 13 -20.288 -2.402 -12.204 95 H ALA 14 HN ALA 14 -18.015 -3.140 -5.670 96 HA ALA 14 HA ALA 14 -15.964 -4.625 -4.596 97 1HB ALA 14 HB1 ALA 14 -18.692 -5.693 -4.216 98 2HB ALA 14 HB2 ALA 14 -18.427 -4.008 -3.768 99 3HB ALA 14 HB3 ALA 14 -17.457 -5.280 -3.026 100 H GLY 15 HN GLY 15 -15.490 -6.850 -4.554 101 1HA GLY 15 HA2 GLY 15 -15.440 -9.033 -5.342 102 2HA GLY 15 HA1 GLY 15 -16.793 -8.652 -6.395 103 H GLY 16 HN GLY 16 -14.632 -6.260 -6.965 104 1HA GLY 16 HA2 GLY 16 -13.577 -7.687 -9.305 105 2HA GLY 16 HA1 GLY 16 -13.727 -5.943 -9.150 106 H SER 17 HN SER 17 -11.541 -5.722 -9.817 107 HA SER 17 HA SER 17 -9.665 -6.099 -7.614 108 1HB SER 17 HB2 SER 17 -9.588 -7.885 -9.599 109 2HB SER 17 HB1 SER 17 -8.601 -6.623 -10.326 110 HG SER 17 HG SER 17 -7.350 -6.674 -8.346 111 H LEU 18 HN LEU 18 -8.229 -4.468 -7.346 112 HA LEU 18 HA LEU 18 -8.067 -2.427 -9.449 113 1HB LEU 18 HB2 LEU 18 -9.663 -1.719 -7.695 114 2HB LEU 18 HB1 LEU 18 -8.387 -1.872 -6.501 115 HG LEU 18 HG LEU 18 -7.108 -0.191 -7.977 116 1HD1 LEU 18 HD11 LEU 18 -8.443 1.298 -9.297 117 2HD1 LEU 18 HD12 LEU 18 -9.919 0.444 -8.847 118 3HD1 LEU 18 HD13 LEU 18 -8.715 -0.350 -9.863 119 1HD2 LEU 18 HD21 LEU 18 -8.317 0.106 -5.688 120 2HD2 LEU 18 HD22 LEU 18 -9.491 1.014 -6.639 121 3HD2 LEU 18 HD23 LEU 18 -7.805 1.527 -6.598 122 H ARG 19 HN ARG 19 -6.100 -1.287 -9.545 123 HA ARG 19 HA ARG 19 -3.941 -2.430 -7.898 124 1HB ARG 19 HB2 ARG 19 -3.842 -3.312 -10.174 125 2HB ARG 19 HB1 ARG 19 -3.828 -1.679 -10.819 126 1HG ARG 19 HG2 ARG 19 -1.712 -2.300 -8.870 127 2HG ARG 19 HG1 ARG 19 -1.620 -3.151 -10.412 128 1HD ARG 19 HD2 ARG 19 -1.982 -0.172 -10.219 129 2HD ARG 19 HD1 ARG 19 -0.395 -0.934 -10.253 130 HE ARG 19 HE ARG 19 -0.774 -1.593 -12.476 131 1HH1 ARG 19 HH11 ARG 19 -3.458 0.245 -11.189 132 2HH1 ARG 19 HH12 ARG 19 -4.120 0.594 -12.749 133 1HH2 ARG 19 HH21 ARG 19 -1.652 -1.129 -14.519 134 2HH2 ARG 19 HH22 ARG 19 -3.099 -0.185 -14.636 135 H LEU 20 HN LEU 20 -2.792 -1.010 -6.778 136 HA LEU 20 HA LEU 20 -2.843 1.812 -7.632 137 1HB LEU 20 HB2 LEU 20 -2.253 1.053 -4.808 138 2HB LEU 20 HB1 LEU 20 -2.946 2.532 -5.442 139 HG LEU 20 HG LEU 20 -4.372 -0.115 -5.212 140 1HD1 LEU 20 HD11 LEU 20 -5.707 1.765 -3.705 141 2HD1 LEU 20 HD12 LEU 20 -4.007 2.118 -3.387 142 3HD1 LEU 20 HD13 LEU 20 -4.644 0.500 -3.088 143 1HD2 LEU 20 HD21 LEU 20 -6.107 2.103 -5.613 144 2HD2 LEU 20 HD22 LEU 20 -5.881 0.679 -6.627 145 3HD2 LEU 20 HD23 LEU 20 -4.884 2.111 -6.884 146 H SER 21 HN SER 21 -0.939 2.895 -7.772 147 HA SER 21 HA SER 21 1.494 1.379 -7.109 148 1HB SER 21 HB2 SER 21 2.539 2.060 -9.105 149 2HB SER 21 HB1 SER 21 0.905 1.624 -9.603 150 HG SER 21 HG SER 21 0.460 3.964 -9.279 151 H CYS 22 HN CYS 22 2.994 2.394 -5.934 152 HA CYS 22 HA CYS 22 2.799 5.312 -5.643 153 1HB CYS 22 HB2 CYS 22 1.757 4.141 -3.685 154 2HB CYS 22 HB1 CYS 22 3.328 3.431 -3.342 155 H ALA 23 HN ALA 23 4.674 6.354 -5.820 156 HA ALA 23 HA ALA 23 7.085 4.766 -6.213 157 1HB ALA 23 HB1 ALA 23 6.967 6.260 -7.940 158 2HB ALA 23 HB2 ALA 23 7.965 7.173 -6.807 159 3HB ALA 23 HB3 ALA 23 6.242 7.524 -6.945 160 H ALA 24 HN ALA 24 9.164 5.664 -5.354 161 HA ALA 24 HA ALA 24 9.022 7.208 -2.920 162 1HB ALA 24 HB1 ALA 24 9.769 5.554 -1.403 163 2HB ALA 24 HB2 ALA 24 10.056 4.391 -2.699 164 3HB ALA 24 HB3 ALA 24 8.406 4.845 -2.270 165 H SER 25 HN SER 25 11.447 6.644 -1.811 166 HA SER 25 HA SER 25 13.244 7.752 -3.788 167 1HB SER 25 HB2 SER 25 14.663 8.304 -2.001 168 2HB SER 25 HB1 SER 25 13.051 8.445 -1.300 169 HG SER 25 HG SER 25 15.028 6.961 -0.437 170 H GLY 26 HN GLY 26 15.395 6.886 -4.170 171 1HA GLY 26 HA2 GLY 26 15.337 3.945 -4.225 172 2HA GLY 26 HA1 GLY 26 16.275 4.965 -5.305 173 H ARG 27 HN ARG 27 17.592 6.627 -3.595 174 HA ARG 27 HA ARG 27 19.661 4.944 -2.621 175 1HB ARG 27 HB2 ARG 27 19.146 7.906 -2.453 176 2HB ARG 27 HB1 ARG 27 20.547 7.156 -1.706 177 1HG ARG 27 HG2 ARG 27 21.583 6.785 -3.683 178 2HG ARG 27 HG1 ARG 27 20.069 6.531 -4.553 179 1HD ARG 27 HD2 ARG 27 20.834 8.548 -5.411 180 2HD ARG 27 HD1 ARG 27 19.688 9.053 -4.171 181 HE ARG 27 HE ARG 27 21.422 9.958 -2.974 182 1HH1 ARG 27 HH11 ARG 27 22.712 7.905 -5.485 183 2HH1 ARG 27 HH12 ARG 27 24.347 8.416 -5.235 184 1HH2 ARG 27 HH21 ARG 27 23.573 10.628 -2.642 185 2HH2 ARG 27 HH22 ARG 27 24.837 9.961 -3.621 186 H THR 28 HN THR 28 18.518 3.621 -1.091 187 HA THR 28 HA THR 28 18.268 4.932 1.526 188 HB THR 28 HB THR 28 16.405 2.981 1.760 189 HG1 THR 28 HG1 THR 28 16.162 3.953 -0.891 190 1HG2 THR 28 HG21 THR 28 14.965 5.113 0.651 191 2HG2 THR 28 HG22 THR 28 16.355 5.819 1.475 192 3HG2 THR 28 HG23 THR 28 15.251 4.762 2.356 193 H GLY 29 HN GLY 29 19.120 3.825 3.217 194 1HA GLY 29 HA2 GLY 29 19.840 1.019 2.866 195 2HA GLY 29 HA1 GLY 29 21.136 2.158 3.190 196 H SER 30 HN SER 30 17.946 2.483 4.550 197 HA SER 30 HA SER 30 18.991 1.659 7.178 198 1HB SER 30 HB2 SER 30 18.873 4.118 7.017 199 2HB SER 30 HB1 SER 30 17.165 4.000 6.595 200 HG SER 30 HG SER 30 18.404 3.759 9.046 201 H THR 31 HN THR 31 17.639 -0.125 5.589 202 HA THR 31 HA THR 31 15.864 -1.548 5.536 203 HB THR 31 HB THR 31 14.881 -2.128 7.596 204 HG1 THR 31 HG1 THR 31 13.989 -0.501 8.576 205 1HG2 THR 31 HG21 THR 31 17.217 -2.551 7.782 206 2HG2 THR 31 HG22 THR 31 16.649 -1.910 9.324 207 3HG2 THR 31 HG23 THR 31 17.541 -0.872 8.211 208 H TYR 32 HN TYR 32 15.516 1.085 4.455 209 HA TYR 32 HA TYR 32 12.994 2.162 5.161 210 1HB TYR 32 HB2 TYR 32 14.797 3.414 3.987 211 2HB TYR 32 HB1 TYR 32 14.487 2.446 2.551 212 HD1 TYR 32 HD1 TYR 32 12.623 2.908 1.127 213 HD2 TYR 32 HD2 TYR 32 13.111 5.043 4.774 214 HE1 TYR 32 HE1 TYR 32 10.916 4.523 0.403 215 HE2 TYR 32 HE2 TYR 32 11.403 6.662 4.062 216 HH TYR 32 HH TYR 32 10.273 6.860 0.879 217 H ASP 33 HN ASP 33 11.714 0.218 5.215 218 HA ASP 33 HA ASP 33 11.163 -1.237 2.808 219 1HB ASP 33 HB2 ASP 33 9.690 -1.162 5.452 220 2HB ASP 33 HB1 ASP 33 9.382 -2.313 4.156 221 H MET 34 HN MET 34 8.617 -1.504 2.348 222 HA MET 34 HA MET 34 7.283 1.082 2.411 223 1HB MET 34 HB2 MET 34 8.597 0.018 0.046 224 2HB MET 34 HB1 MET 34 6.886 0.318 -0.230 225 1HG MET 34 HG2 MET 34 7.799 2.564 1.136 226 2HG MET 34 HG1 MET 34 9.073 2.179 -0.018 227 1HE MET 34 HE1 MET 34 5.165 1.365 -0.977 228 2HE MET 34 HE2 MET 34 4.687 3.062 -1.016 229 3HE MET 34 HE3 MET 34 5.329 2.360 0.470 230 H GLY 35 HN GLY 35 5.151 0.880 2.685 231 1HA GLY 35 HA2 GLY 35 3.754 -1.468 1.686 232 2HA GLY 35 HA1 GLY 35 3.805 -1.298 3.434 233 H TRP 36 HN TRP 36 1.457 -1.312 1.787 234 HA TRP 36 HA TRP 36 0.542 1.423 1.673 235 1HB TRP 36 HB2 TRP 36 -0.692 -1.204 0.957 236 2HB TRP 36 HB1 TRP 36 -1.617 0.281 0.947 237 HD1 TRP 36 HD1 TRP 36 1.271 -1.450 -0.894 238 HE1 TRP 36 HE1 TRP 36 1.562 -0.325 -3.191 239 HE3 TRP 36 HE3 TRP 36 -2.029 2.415 -0.333 240 HZ2 TRP 36 HZ2 TRP 36 0.531 1.906 -4.581 241 HZ3 TRP 36 HZ3 TRP 36 -2.319 3.999 -2.193 242 HH2 TRP 36 HH2 TRP 36 -1.064 3.749 -4.274 243 H PHE 37 HN PHE 37 -1.359 2.146 2.715 244 HA PHE 37 HA PHE 37 -2.145 0.714 5.128 245 1HB PHE 37 HB2 PHE 37 -0.772 3.339 4.915 246 2HB PHE 37 HB1 PHE 37 -2.081 3.222 6.078 247 HD1 PHE 37 HD1 PHE 37 -1.565 2.574 8.217 248 HD2 PHE 37 HD2 PHE 37 0.951 1.329 5.019 249 HE1 PHE 37 HE1 PHE 37 -0.033 1.529 9.833 250 HE2 PHE 37 HE2 PHE 37 2.485 0.278 6.628 251 HZ PHE 37 HZ PHE 37 1.994 0.377 9.039 252 H ARG 38 HN ARG 38 -3.936 2.266 6.230 253 HA ARG 38 HA ARG 38 -5.632 3.475 4.200 254 1HB ARG 38 HB2 ARG 38 -7.126 1.697 5.970 255 2HB ARG 38 HB1 ARG 38 -7.338 2.018 4.264 256 1HG ARG 38 HG2 ARG 38 -5.640 0.453 3.678 257 2HG ARG 38 HG1 ARG 38 -5.168 0.253 5.366 258 1HD ARG 38 HD2 ARG 38 -6.637 -1.561 4.308 259 2HD ARG 38 HD1 ARG 38 -7.104 -0.940 5.890 260 HE ARG 38 HE ARG 38 -8.356 0.395 3.661 261 1HH1 ARG 38 HH11 ARG 38 -8.578 -2.242 5.938 262 2HH1 ARG 38 HH12 ARG 38 -10.298 -2.381 5.800 263 1HH2 ARG 38 HH21 ARG 38 -10.619 0.214 3.480 264 2HH2 ARG 38 HH22 ARG 38 -11.456 -0.987 4.406 265 H GLN 39 HN GLN 39 -7.424 4.715 5.106 266 HA GLN 39 HA GLN 39 -7.527 5.162 7.938 267 1HB GLN 39 HB2 GLN 39 -5.636 6.652 6.482 268 2HB GLN 39 HB1 GLN 39 -6.969 7.752 6.798 269 1HG GLN 39 HG2 GLN 39 -5.721 6.093 8.960 270 2HG GLN 39 HG1 GLN 39 -5.094 7.675 8.503 271 1HE2 GLN 39 HE21 GLN 39 -6.023 7.096 11.051 272 2HE2 GLN 39 HE22 GLN 39 -7.453 8.017 11.347 273 H ALA 40 HN ALA 40 -9.135 6.782 8.537 274 HA ALA 40 HA ALA 40 -10.897 7.830 6.519 275 1HB ALA 40 HB1 ALA 40 -12.319 6.015 8.383 276 2HB ALA 40 HB2 ALA 40 -11.435 5.278 7.047 277 3HB ALA 40 HB3 ALA 40 -12.702 6.460 6.720 278 HA PRO 41 HA PRO 41 -11.676 10.744 9.724 279 1HB PRO 41 HB2 PRO 41 -14.238 11.519 9.194 280 2HB PRO 41 HB1 PRO 41 -12.851 12.032 8.226 281 1HG PRO 41 HG2 PRO 41 -14.832 9.854 7.692 282 2HG PRO 41 HG1 PRO 41 -14.143 11.042 6.570 283 1HD PRO 41 HD2 PRO 41 -13.261 8.488 6.700 284 2HD PRO 41 HD1 PRO 41 -12.187 9.846 6.308 285 H GLY 42 HN GLY 42 -12.257 10.720 11.789 286 1HA GLY 42 HA2 GLY 42 -13.328 10.108 13.734 287 2HA GLY 42 HA1 GLY 42 -14.650 9.494 12.750 288 H LYS 43 HN LYS 43 -11.906 8.108 11.558 289 HA LYS 43 HA LYS 43 -12.242 5.731 13.259 290 1HB LYS 43 HB2 LYS 43 -12.864 5.881 10.685 291 2HB LYS 43 HB1 LYS 43 -11.146 5.577 10.500 292 1HG LYS 43 HG2 LYS 43 -11.440 3.412 10.875 293 2HG LYS 43 HG1 LYS 43 -12.236 3.747 12.414 294 1HD LYS 43 HD2 LYS 43 -14.183 4.397 10.604 295 2HD LYS 43 HD1 LYS 43 -13.382 3.038 9.814 296 1HE LYS 43 HE2 LYS 43 -14.755 1.789 11.080 297 2HE LYS 43 HE1 LYS 43 -13.583 2.116 12.356 298 1HZ LYS 43 HZ1 LYS 43 -16.190 3.423 11.879 299 2HZ LYS 43 HZ2 LYS 43 -15.000 4.157 12.831 300 3HZ LYS 43 HZ3 LYS 43 -15.635 2.656 13.282 301 H GLU 44 HN GLU 44 -10.183 4.219 12.710 302 HA GLU 44 HA GLU 44 -7.830 5.853 13.355 303 1HB GLU 44 HB2 GLU 44 -8.125 2.909 13.921 304 2HB GLU 44 HB1 GLU 44 -6.964 4.034 14.611 305 1HG GLU 44 HG2 GLU 44 -9.846 4.555 15.082 306 2HG GLU 44 HG1 GLU 44 -9.092 3.213 15.941 307 H ARG 45 HN ARG 45 -5.741 5.071 12.532 308 HA ARG 45 HA ARG 45 -5.999 4.297 9.767 309 1HB ARG 45 HB2 ARG 45 -3.779 4.959 9.486 310 2HB ARG 45 HB1 ARG 45 -4.374 6.046 10.730 311 1HG ARG 45 HG2 ARG 45 -3.040 5.155 12.343 312 2HG ARG 45 HG1 ARG 45 -3.041 3.548 11.618 313 1HD ARG 45 HD2 ARG 45 -1.255 3.985 10.321 314 2HD ARG 45 HD1 ARG 45 -1.762 5.643 10.005 315 HE ARG 45 HE ARG 45 -0.311 6.293 11.625 316 1HH1 ARG 45 HH11 ARG 45 -1.270 3.008 12.310 317 2HH1 ARG 45 HH12 ARG 45 -0.247 2.867 13.699 318 1HH2 ARG 45 HH21 ARG 45 1.035 6.109 13.452 319 2HH2 ARG 45 HH22 ARG 45 1.060 4.627 14.349 320 H GLU 46 HN GLU 46 -5.246 2.457 8.791 321 HA GLU 46 HA GLU 46 -4.109 0.349 10.462 322 1HB GLU 46 HB2 GLU 46 -5.712 -1.294 9.751 323 2HB GLU 46 HB1 GLU 46 -6.588 0.069 10.433 324 1HG GLU 46 HG2 GLU 46 -7.235 0.840 8.286 325 2HG GLU 46 HG1 GLU 46 -6.147 -0.293 7.485 326 H SER 47 HN SER 47 -2.724 -1.015 9.362 327 HA SER 47 HA SER 47 -1.872 -0.112 6.777 328 1HB SER 47 HB2 SER 47 -0.326 -0.855 8.642 329 2HB SER 47 HB1 SER 47 -0.824 -2.499 8.290 330 HG SER 47 HG SER 47 1.134 -1.678 7.198 331 H VAL 48 HN VAL 48 -1.260 -1.869 5.177 332 HA VAL 48 HA VAL 48 -3.418 -3.858 4.949 333 HB VAL 48 HB VAL 48 -2.372 -2.439 2.537 334 1HG1 VAL 48 HG11 VAL 48 -5.033 -3.753 3.008 335 2HG1 VAL 48 HG12 VAL 48 -3.628 -4.607 2.371 336 3HG1 VAL 48 HG13 VAL 48 -4.326 -3.261 1.470 337 1HG2 VAL 48 HG21 VAL 48 -3.253 -0.551 3.414 338 2HG2 VAL 48 HG22 VAL 48 -4.278 -1.432 4.547 339 3HG2 VAL 48 HG23 VAL 48 -4.768 -1.267 2.861 340 H ALA 49 HN ALA 49 -0.544 -2.944 3.038 341 HA ALA 49 HA ALA 49 0.610 -5.567 3.570 342 1HB ALA 49 HB1 ALA 49 0.711 -6.306 1.377 343 2HB ALA 49 HB2 ALA 49 0.441 -4.693 0.715 344 3HB ALA 49 HB3 ALA 49 -0.893 -5.575 1.459 345 H ALA 50 HN ALA 50 2.710 -5.414 3.926 346 HA ALA 50 HA ALA 50 4.164 -3.140 2.749 347 1HB ALA 50 HB1 ALA 50 3.586 -3.385 5.403 348 2HB ALA 50 HB2 ALA 50 4.918 -2.440 4.730 349 3HB ALA 50 HB3 ALA 50 5.204 -4.081 5.308 350 H ILE 51 HN ILE 51 6.254 -3.492 2.092 351 HA ILE 51 HA ILE 51 7.205 -6.277 2.206 352 HB ILE 51 HB ILE 51 6.332 -5.673 -0.051 353 1HG1 ILE 51 HG12 ILE 51 9.298 -6.220 0.177 354 2HG1 ILE 51 HG11 ILE 51 8.006 -7.415 0.162 355 1HG2 ILE 51 HG21 ILE 51 8.563 -3.653 0.047 356 2HG2 ILE 51 HG22 ILE 51 6.841 -3.350 -0.173 357 3HG2 ILE 51 HG23 ILE 51 7.761 -4.161 -1.439 358 1HD1 ILE 51 HD11 ILE 51 7.752 -5.851 -2.178 359 2HD1 ILE 51 HD12 ILE 51 8.175 -7.557 -2.031 360 3HD1 ILE 51 HD13 ILE 51 9.442 -6.330 -2.021 361 H ASN 52 HN ASN 52 9.439 -6.596 2.316 362 HA ASN 52 HA ASN 52 10.907 -4.256 3.302 363 1HB ASN 52 HB2 ASN 52 10.863 -6.120 4.828 364 2HB ASN 52 HB1 ASN 52 11.466 -7.209 3.591 365 1HD2 ASN 52 HD21 ASN 52 13.642 -7.042 2.955 366 2HD2 ASN 52 HD22 ASN 52 14.816 -6.282 3.969 367 H TRP 53 HN TRP 53 13.272 -4.269 2.829 368 HA TRP 53 HA TRP 53 13.627 -4.518 -0.049 369 1HB TRP 53 HB2 TRP 53 14.304 -2.527 1.651 370 2HB TRP 53 HB1 TRP 53 15.816 -3.429 1.620 371 HD1 TRP 53 HD1 TRP 53 17.353 -3.072 -0.411 372 HE1 TRP 53 HE1 TRP 53 17.180 -1.745 -2.613 373 HE3 TRP 53 HE3 TRP 53 12.420 -1.772 -0.182 374 HZ2 TRP 53 HZ2 TRP 53 15.205 -0.333 -4.060 375 HZ3 TRP 53 HZ3 TRP 53 11.463 -0.434 -2.011 376 HH2 TRP 53 HH2 TRP 53 12.828 0.270 -3.909 377 H ASP 54 HN ASP 54 13.723 -6.861 0.022 378 HA ASP 54 HA ASP 54 14.854 -8.823 -0.128 379 1HB ASP 54 HB2 ASP 54 17.157 -6.891 -0.010 380 2HB ASP 54 HB1 ASP 54 17.428 -8.629 -0.080 381 H SER 55 HN SER 55 14.068 -9.749 1.737 382 HA SER 55 HA SER 55 15.996 -10.304 3.773 383 1HB SER 55 HB2 SER 55 15.250 -8.166 4.653 384 2HB SER 55 HB1 SER 55 13.563 -8.660 4.513 385 HG SER 55 HG SER 55 15.525 -9.511 6.333 386 H ALA 56 HN ALA 56 12.439 -10.175 3.905 387 HA ALA 56 HA ALA 56 12.435 -13.110 4.065 388 1HB ALA 56 HB1 ALA 56 11.751 -12.333 6.181 389 2HB ALA 56 HB2 ALA 56 10.262 -12.775 5.345 390 3HB ALA 56 HB3 ALA 56 10.728 -11.080 5.477 391 H ARG 57 HN ARG 57 9.868 -10.709 3.636 392 HA ARG 57 HA ARG 57 9.481 -11.161 0.883 393 1HB ARG 57 HB2 ARG 57 8.065 -12.975 2.740 394 2HB ARG 57 HB1 ARG 57 7.060 -12.241 1.501 395 1HG ARG 57 HG2 ARG 57 9.450 -14.017 1.116 396 2HG ARG 57 HG1 ARG 57 7.777 -14.321 0.660 397 1HD ARG 57 HD2 ARG 57 9.755 -12.447 -0.592 398 2HD ARG 57 HD1 ARG 57 8.837 -13.751 -1.344 399 HE ARG 57 HE ARG 57 6.913 -12.041 -0.514 400 1HH1 ARG 57 HH11 ARG 57 9.802 -11.636 -2.427 401 2HH1 ARG 57 HH12 ARG 57 9.153 -10.329 -3.360 402 1HH2 ARG 57 HH21 ARG 57 6.055 -10.322 -1.735 403 2HH2 ARG 57 HH22 ARG 57 7.022 -9.583 -2.967 404 H THR 58 HN THR 58 6.522 -11.066 2.689 405 HA THR 58 HA THR 58 6.505 -8.140 2.662 406 HB THR 58 HB THR 58 3.992 -9.408 1.827 407 HG1 THR 58 HG1 THR 58 4.649 -10.160 -0.037 408 1HG2 THR 58 HG21 THR 58 4.440 -7.579 -0.033 409 2HG2 THR 58 HG22 THR 58 5.509 -6.948 1.221 410 3HG2 THR 58 HG23 THR 58 3.792 -7.173 1.556 411 H TYR 59 HN TYR 59 4.100 -7.556 3.529 412 HA TYR 59 HA TYR 59 3.498 -9.209 5.867 413 1HB TYR 59 HB2 TYR 59 5.013 -7.567 6.742 414 2HB TYR 59 HB1 TYR 59 4.182 -6.267 5.899 415 HD1 TYR 59 HD1 TYR 59 3.886 -8.690 8.681 416 HD2 TYR 59 HD2 TYR 59 2.300 -5.190 6.855 417 HE1 TYR 59 HE1 TYR 59 2.484 -8.298 10.663 418 HE2 TYR 59 HE2 TYR 59 0.895 -4.788 8.832 419 HH TYR 59 HH TYR 59 1.129 -5.515 11.435 420 H TYR 60 HN TYR 60 1.534 -9.806 4.956 421 HA TYR 60 HA TYR 60 -0.294 -7.897 3.870 422 1HB TYR 60 HB2 TYR 60 -0.496 -10.810 4.599 423 2HB TYR 60 HB1 TYR 60 -1.890 -9.901 4.040 424 HD1 TYR 60 HD1 TYR 60 -2.401 -10.550 1.883 425 HD2 TYR 60 HD2 TYR 60 1.680 -9.962 2.932 426 HE1 TYR 60 HE1 TYR 60 -1.745 -10.975 -0.448 427 HE2 TYR 60 HE2 TYR 60 2.346 -10.383 0.605 428 HH TYR 60 HH TYR 60 1.467 -11.531 -1.383 429 H ALA 61 HN ALA 61 -2.485 -7.559 4.720 430 HA ALA 61 HA ALA 61 -2.442 -7.341 7.655 431 1HB ALA 61 HB1 ALA 61 -3.888 -5.694 5.587 432 2HB ALA 61 HB2 ALA 61 -2.560 -5.184 6.630 433 3HB ALA 61 HB3 ALA 61 -4.141 -5.542 7.326 434 H SER 62 HN SER 62 -4.495 -7.608 8.781 435 HA SER 62 HA SER 62 -5.831 -9.969 7.962 436 1HB SER 62 HB2 SER 62 -5.550 -9.503 10.326 437 2HB SER 62 HB1 SER 62 -6.460 -8.000 10.174 438 HG SER 62 HG SER 62 -8.065 -9.257 10.728 439 H SER 63 HN SER 63 -8.006 -10.262 7.413 440 HA SER 63 HA SER 63 -10.101 -9.707 6.629 441 1HB SER 63 HB2 SER 63 -9.306 -6.823 6.303 442 2HB SER 63 HB1 SER 63 -10.914 -7.507 6.536 443 HG SER 63 HG SER 63 -9.031 -6.779 8.387 444 H VAL 64 HN VAL 64 -7.082 -9.095 5.246 445 HA VAL 64 HA VAL 64 -8.150 -9.640 2.609 446 HB VAL 64 HB VAL 64 -7.086 -7.792 1.492 447 1HG1 VAL 64 HG11 VAL 64 -9.376 -7.496 2.422 448 2HG1 VAL 64 HG12 VAL 64 -8.488 -5.987 2.211 449 3HG1 VAL 64 HG13 VAL 64 -8.656 -6.694 3.818 450 1HG2 VAL 64 HG21 VAL 64 -5.190 -7.124 2.542 451 2HG2 VAL 64 HG22 VAL 64 -5.875 -7.337 4.154 452 3HG2 VAL 64 HG23 VAL 64 -6.279 -5.905 3.206 453 H ARG 65 HN ARG 65 -6.144 -10.623 4.811 454 HA ARG 65 HA ARG 65 -3.664 -10.718 3.426 455 1HB ARG 65 HB2 ARG 65 -3.482 -10.717 5.763 456 2HB ARG 65 HB1 ARG 65 -4.736 -11.929 5.950 457 1HG ARG 65 HG2 ARG 65 -3.292 -13.604 5.811 458 2HG ARG 65 HG1 ARG 65 -2.462 -12.892 4.429 459 1HD ARG 65 HD2 ARG 65 -1.561 -11.235 6.280 460 2HD ARG 65 HD1 ARG 65 -1.913 -12.600 7.338 461 HE ARG 65 HE ARG 65 -0.485 -13.728 5.343 462 1HH1 ARG 65 HH11 ARG 65 0.073 -10.964 7.398 463 2HH1 ARG 65 HH12 ARG 65 1.796 -11.129 7.365 464 1HH2 ARG 65 HH21 ARG 65 1.782 -13.947 5.297 465 2HH2 ARG 65 HH22 ARG 65 2.767 -12.822 6.171 466 H GLY 66 HN GLY 66 -4.385 -11.577 1.482 467 1HA GLY 66 HA2 GLY 66 -3.728 -13.948 0.653 468 2HA GLY 66 HA1 GLY 66 -5.213 -14.382 1.484 469 H ARG 67 HN ARG 67 -5.854 -11.390 0.419 470 HA ARG 67 HA ARG 67 -6.878 -12.377 -2.165 471 1HB ARG 67 HB2 ARG 67 -8.677 -10.600 -1.827 472 2HB ARG 67 HB1 ARG 67 -8.770 -12.034 -0.813 473 1HG ARG 67 HG2 ARG 67 -8.146 -10.895 1.090 474 2HG ARG 67 HG1 ARG 67 -7.359 -9.601 0.183 475 1HD ARG 67 HD2 ARG 67 -9.211 -8.394 0.405 476 2HD ARG 67 HD1 ARG 67 -10.049 -9.568 -0.609 477 HE ARG 67 HE ARG 67 -10.271 -9.260 2.241 478 1HH1 ARG 67 HH11 ARG 67 -10.660 -11.460 -0.440 479 2HH1 ARG 67 HH12 ARG 67 -11.806 -12.461 0.387 480 1HH2 ARG 67 HH21 ARG 67 -11.778 -10.576 3.330 481 2HH2 ARG 67 HH22 ARG 67 -12.440 -11.960 2.526 482 H PHE 68 HN PHE 68 -5.472 -9.642 -0.440 483 HA PHE 68 HA PHE 68 -5.371 -8.004 -2.819 484 1HB PHE 68 HB2 PHE 68 -4.414 -7.659 0.013 485 2HB PHE 68 HB1 PHE 68 -3.947 -6.525 -1.249 486 HD1 PHE 68 HD1 PHE 68 -5.051 -4.825 0.234 487 HD2 PHE 68 HD2 PHE 68 -7.218 -7.964 -1.656 488 HE1 PHE 68 HE1 PHE 68 -7.146 -3.583 0.575 489 HE2 PHE 68 HE2 PHE 68 -9.316 -6.725 -1.319 490 HZ PHE 68 HZ PHE 68 -9.283 -4.530 -0.203 491 H THR 69 HN THR 69 -3.665 -7.689 -4.152 492 HA THR 69 HA THR 69 -1.334 -9.421 -3.738 493 HB THR 69 HB THR 69 -1.992 -7.917 -6.263 494 HG1 THR 69 HG1 THR 69 -2.876 -10.525 -5.601 495 1HG2 THR 69 HG21 THR 69 -0.973 -10.113 -7.192 496 2HG2 THR 69 HG22 THR 69 -0.272 -10.251 -5.579 497 3HG2 THR 69 HG23 THR 69 0.084 -8.842 -6.579 498 H ILE 70 HN ILE 70 0.731 -8.708 -3.844 499 HA ILE 70 HA ILE 70 1.216 -5.806 -3.867 500 HB ILE 70 HB ILE 70 1.076 -6.573 -1.560 501 1HG1 ILE 70 HG12 ILE 70 2.648 -4.762 -2.183 502 2HG1 ILE 70 HG11 ILE 70 3.147 -5.648 -0.748 503 1HG2 ILE 70 HG21 ILE 70 1.713 -8.905 -1.972 504 2HG2 ILE 70 HG22 ILE 70 2.622 -8.184 -0.637 505 3HG2 ILE 70 HG23 ILE 70 3.384 -8.388 -2.217 506 1HD1 ILE 70 HD11 ILE 70 4.438 -5.382 -3.350 507 2HD1 ILE 70 HD12 ILE 70 4.449 -7.012 -2.682 508 3HD1 ILE 70 HD13 ILE 70 5.136 -5.676 -1.758 509 H SER 71 HN SER 71 3.009 -5.190 -4.979 510 HA SER 71 HA SER 71 5.217 -6.944 -5.434 511 1HB SER 71 HB2 SER 71 3.788 -8.014 -7.035 512 2HB SER 71 HB1 SER 71 3.281 -6.464 -7.704 513 HG SER 71 HG SER 71 4.858 -6.799 -9.053 514 H ARG 72 HN ARG 72 6.989 -5.907 -6.325 515 HA ARG 72 HA ARG 72 6.654 -3.011 -6.746 516 1HB ARG 72 HB2 ARG 72 8.684 -4.605 -5.275 517 2HB ARG 72 HB1 ARG 72 9.259 -3.188 -6.143 518 1HG ARG 72 HG2 ARG 72 8.726 -2.731 -3.783 519 2HG ARG 72 HG1 ARG 72 7.771 -1.763 -4.907 520 1HD ARG 72 HD2 ARG 72 5.838 -3.050 -4.540 521 2HD ARG 72 HD1 ARG 72 6.749 -4.350 -3.772 522 HE ARG 72 HE ARG 72 7.205 -2.317 -2.100 523 1HH1 ARG 72 HH11 ARG 72 4.236 -3.467 -3.534 524 2HH1 ARG 72 HH12 ARG 72 3.252 -2.954 -2.206 525 1HH2 ARG 72 HH21 ARG 72 5.904 -1.637 -0.359 526 2HH2 ARG 72 HH22 ARG 72 4.197 -1.925 -0.403 527 H ASP 73 HN ASP 73 7.723 -2.031 -8.455 528 HA ASP 73 HA ASP 73 8.135 -3.609 -10.758 529 1HB ASP 73 HB2 ASP 73 7.422 -1.269 -10.884 530 2HB ASP 73 HB1 ASP 73 8.970 -0.754 -10.222 531 H ASN 74 HN ASN 74 10.284 -2.433 -8.279 532 HA ASN 74 HA ASN 74 12.498 -2.755 -7.867 533 1HB ASN 74 HB2 ASN 74 11.684 -5.148 -8.126 534 2HB ASN 74 HB1 ASN 74 12.324 -5.095 -9.766 535 1HD2 ASN 74 HD21 ASN 74 13.486 -3.961 -6.609 536 2HD2 ASN 74 HD22 ASN 74 15.020 -4.751 -6.701 537 H ALA 75 HN ALA 75 11.624 -1.171 -10.243 538 HA ALA 75 HA ALA 75 14.215 -1.154 -11.616 539 1HB ALA 75 HB1 ALA 75 11.844 -0.400 -13.218 540 2HB ALA 75 HB2 ALA 75 12.067 -2.116 -12.876 541 3HB ALA 75 HB3 ALA 75 13.333 -1.211 -13.705 542 H LYS 76 HN LYS 76 11.227 0.641 -10.954 543 HA LYS 76 HA LYS 76 12.794 3.134 -11.041 544 1HB LYS 76 HB2 LYS 76 10.008 2.476 -11.865 545 2HB LYS 76 HB1 LYS 76 10.310 4.077 -11.205 546 1HG LYS 76 HG2 LYS 76 12.326 3.476 -13.131 547 2HG LYS 76 HG1 LYS 76 10.739 3.159 -13.834 548 1HD LYS 76 HD2 LYS 76 10.053 5.358 -13.600 549 2HD LYS 76 HD1 LYS 76 11.217 5.690 -12.316 550 1HE LYS 76 HE2 LYS 76 12.777 6.343 -13.772 551 2HE LYS 76 HE1 LYS 76 12.512 4.936 -14.801 552 1HZ LYS 76 HZ1 LYS 76 10.451 6.981 -14.885 553 2HZ LYS 76 HZ2 LYS 76 11.122 6.067 -16.140 554 3HZ LYS 76 HZ3 LYS 76 11.947 7.419 -15.545 555 H LYS 77 HN LYS 77 12.214 1.130 -8.799 556 HA LYS 77 HA LYS 77 11.774 1.166 -6.567 557 1HB LYS 77 HB2 LYS 77 11.979 4.166 -6.701 558 2HB LYS 77 HB1 LYS 77 12.416 3.100 -5.372 559 1HG LYS 77 HG2 LYS 77 13.846 3.044 -8.010 560 2HG LYS 77 HG1 LYS 77 14.315 4.125 -6.696 561 1HD LYS 77 HD2 LYS 77 14.813 2.298 -5.260 562 2HD LYS 77 HD1 LYS 77 14.060 1.143 -6.361 563 1HE LYS 77 HE2 LYS 77 16.308 0.838 -6.801 564 2HE LYS 77 HE1 LYS 77 15.838 1.988 -8.052 565 1HZ LYS 77 HZ1 LYS 77 17.015 2.815 -5.460 566 2HZ LYS 77 HZ2 LYS 77 16.803 3.758 -6.848 567 3HZ LYS 77 HZ3 LYS 77 17.947 2.512 -6.840 568 H THR 78 HN THR 78 9.515 0.954 -8.060 569 HA THR 78 HA THR 78 7.592 2.663 -6.621 570 HB THR 78 HB THR 78 7.248 1.438 -9.361 571 HG1 THR 78 HG1 THR 78 7.390 3.629 -10.046 572 1HG2 THR 78 HG21 THR 78 5.503 3.338 -7.820 573 2HG2 THR 78 HG22 THR 78 5.108 1.693 -8.321 574 3HG2 THR 78 HG23 THR 78 5.314 2.959 -9.532 575 H VAL 79 HN VAL 79 5.804 1.727 -5.733 576 HA VAL 79 HA VAL 79 5.862 -1.198 -5.498 577 HB VAL 79 HB VAL 79 4.503 -0.928 -3.506 578 1HG1 VAL 79 HG11 VAL 79 7.095 -0.513 -3.609 579 2HG1 VAL 79 HG12 VAL 79 6.200 -0.265 -2.111 580 3HG1 VAL 79 HG13 VAL 79 6.632 1.115 -3.120 581 1HG2 VAL 79 HG21 VAL 79 4.110 1.742 -4.570 582 2HG2 VAL 79 HG22 VAL 79 4.539 1.751 -2.862 583 3HG2 VAL 79 HG23 VAL 79 3.139 0.833 -3.415 584 H TYR 80 HN TYR 80 3.910 -2.425 -5.716 585 HA TYR 80 HA TYR 80 1.591 -1.024 -6.799 586 1HB TYR 80 HB2 TYR 80 2.911 -3.298 -8.283 587 2HB TYR 80 HB1 TYR 80 1.452 -2.447 -8.766 588 HD1 TYR 80 HD1 TYR 80 1.578 -0.563 -10.121 589 HD2 TYR 80 HD2 TYR 80 5.080 -1.967 -8.158 590 HE1 TYR 80 HE1 TYR 80 2.934 1.022 -11.418 591 HE2 TYR 80 HE2 TYR 80 6.444 -0.382 -9.446 592 HH TYR 80 HH TYR 80 5.056 2.129 -11.328 593 H LEU 81 HN LEU 81 -0.196 -1.808 -5.889 594 HA LEU 81 HA LEU 81 -0.172 -4.612 -5.023 595 1HB LEU 81 HB2 LEU 81 -0.813 -4.130 -2.926 596 2HB LEU 81 HB1 LEU 81 -0.106 -2.566 -3.270 597 HG LEU 81 HG LEU 81 -3.044 -3.129 -3.663 598 1HD1 LEU 81 HD11 LEU 81 -1.550 -2.282 -1.206 599 2HD1 LEU 81 HD12 LEU 81 -2.778 -3.536 -1.381 600 3HD1 LEU 81 HD13 LEU 81 -3.236 -1.835 -1.468 601 1HD2 LEU 81 HD21 LEU 81 -1.634 -0.521 -3.170 602 2HD2 LEU 81 HD22 LEU 81 -3.281 -0.783 -3.738 603 3HD2 LEU 81 HD23 LEU 81 -1.917 -1.163 -4.787 604 H GLN 82 HN GLN 82 -1.658 -5.785 -5.955 605 HA GLN 82 HA GLN 82 -3.917 -4.484 -7.267 606 1HB GLN 82 HB2 GLN 82 -2.177 -6.243 -8.257 607 2HB GLN 82 HB1 GLN 82 -3.351 -7.367 -7.600 608 1HG GLN 82 HG2 GLN 82 -5.104 -6.397 -8.941 609 2HG GLN 82 HG1 GLN 82 -4.000 -5.158 -9.532 610 1HE2 GLN 82 HE21 GLN 82 -5.033 -8.432 -9.796 611 2HE2 GLN 82 HE22 GLN 82 -4.088 -8.848 -11.180 612 H MET 83 HN MET 83 -5.397 -4.204 -5.621 613 HA MET 83 HA MET 83 -6.025 -6.338 -3.803 614 1HB MET 83 HB2 MET 83 -7.635 -3.828 -4.219 615 2HB MET 83 HB1 MET 83 -7.516 -4.816 -2.771 616 1HG MET 83 HG2 MET 83 -5.756 -3.708 -2.040 617 2HG MET 83 HG1 MET 83 -4.937 -3.817 -3.591 618 1HE MET 83 HE1 MET 83 -5.222 -1.896 -5.563 619 2HE MET 83 HE2 MET 83 -6.598 -0.795 -5.500 620 3HE MET 83 HE3 MET 83 -6.863 -2.538 -5.528 621 H ASN 84 HN ASN 84 -6.839 -8.068 -4.928 622 HA ASN 84 HA ASN 84 -9.041 -7.689 -6.769 623 1HB ASN 84 HB2 ASN 84 -8.389 -10.452 -6.090 624 2HB ASN 84 HB1 ASN 84 -8.435 -9.654 -7.649 625 1HD2 ASN 84 HD21 ASN 84 -6.569 -8.515 -8.369 626 2HD2 ASN 84 HD22 ASN 84 -5.004 -8.957 -7.785 627 H SER 85 HN SER 85 -10.791 -9.523 -6.520 628 HA SER 85 HA SER 85 -12.790 -9.833 -5.408 629 1HB SER 85 HB2 SER 85 -11.021 -11.696 -4.814 630 2HB SER 85 HB1 SER 85 -11.166 -11.014 -3.194 631 HG SER 85 HG SER 85 -12.778 -12.732 -4.340 632 H LEU 86 HN LEU 86 -11.954 -7.231 -4.909 633 HA LEU 86 HA LEU 86 -11.626 -6.357 -2.347 634 1HB LEU 86 HB2 LEU 86 -12.319 -5.208 -4.792 635 2HB LEU 86 HB1 LEU 86 -13.605 -4.730 -3.700 636 HG LEU 86 HG LEU 86 -11.382 -4.207 -2.190 637 1HD1 LEU 86 HD11 LEU 86 -10.710 -3.436 -5.024 638 2HD1 LEU 86 HD12 LEU 86 -9.930 -4.732 -4.117 639 3HD1 LEU 86 HD13 LEU 86 -9.779 -3.060 -3.574 640 1HD2 LEU 86 HD21 LEU 86 -12.244 -2.039 -3.996 641 2HD2 LEU 86 HD22 LEU 86 -12.161 -2.088 -2.235 642 3HD2 LEU 86 HD23 LEU 86 -13.518 -2.838 -3.075 643 H LYS 87 HN LYS 87 -13.235 -5.252 -0.930 644 HA LYS 87 HA LYS 87 -15.745 -6.786 -0.763 645 1HB LYS 87 HB2 LYS 87 -13.993 -5.928 1.549 646 2HB LYS 87 HB1 LYS 87 -15.517 -6.790 1.681 647 1HG LYS 87 HG2 LYS 87 -12.946 -7.804 0.500 648 2HG LYS 87 HG1 LYS 87 -13.746 -8.355 1.973 649 1HD LYS 87 HD2 LYS 87 -15.722 -8.703 0.144 650 2HD LYS 87 HD1 LYS 87 -14.292 -9.015 -0.841 651 1HE LYS 87 HE2 LYS 87 -14.288 -11.079 -0.008 652 2HE LYS 87 HE1 LYS 87 -13.815 -10.374 1.537 653 1HZ LYS 87 HZ1 LYS 87 -16.396 -11.402 0.678 654 2HZ LYS 87 HZ2 LYS 87 -16.435 -10.011 1.640 655 3HZ LYS 87 HZ3 LYS 87 -15.681 -11.412 2.212 656 HA PRO 88 HA PRO 88 -17.805 -2.917 -0.308 657 1HB PRO 88 HB2 PRO 88 -19.816 -3.458 1.409 658 2HB PRO 88 HB1 PRO 88 -19.771 -4.112 -0.232 659 1HG PRO 88 HG2 PRO 88 -19.015 -5.422 2.351 660 2HG PRO 88 HG1 PRO 88 -19.937 -6.084 0.988 661 1HD PRO 88 HD2 PRO 88 -17.299 -6.606 1.394 662 2HD PRO 88 HD1 PRO 88 -18.042 -6.573 -0.216 663 H GLU 89 HN GLU 89 -15.833 -3.959 2.051 664 HA GLU 89 HA GLU 89 -16.469 -1.693 3.817 665 1HB GLU 89 HB2 GLU 89 -15.154 -4.316 4.543 666 2HB GLU 89 HB1 GLU 89 -15.390 -2.964 5.641 667 1HG GLU 89 HG2 GLU 89 -17.917 -3.349 4.747 668 2HG GLU 89 HG1 GLU 89 -17.285 -4.994 4.707 669 H ASP 90 HN ASP 90 -14.510 -2.377 1.397 670 HA ASP 90 HA ASP 90 -11.972 -1.684 2.611 671 1HB ASP 90 HB2 ASP 90 -12.875 -2.541 -0.094 672 2HB ASP 90 HB1 ASP 90 -11.389 -1.603 0.011 673 H THR 91 HN THR 91 -14.631 -0.041 1.176 674 HA THR 91 HA THR 91 -13.527 2.145 -0.037 675 HB THR 91 HB THR 91 -15.965 1.941 1.715 676 HG1 THR 91 HG1 THR 91 -16.561 0.836 0.040 677 1HG2 THR 91 HG21 THR 91 -16.832 3.894 0.534 678 2HG2 THR 91 HG22 THR 91 -15.272 4.104 -0.262 679 3HG2 THR 91 HG23 THR 91 -15.403 4.293 1.487 680 H ALA 92 HN ALA 92 -11.793 3.188 0.741 681 HA ALA 92 HA ALA 92 -12.083 4.951 2.949 682 1HB ALA 92 HB1 ALA 92 -11.155 3.864 4.658 683 2HB ALA 92 HB2 ALA 92 -9.825 3.273 3.661 684 3HB ALA 92 HB3 ALA 92 -11.354 2.395 3.703 685 H VAL 93 HN VAL 93 -9.603 5.660 3.591 686 HA VAL 93 HA VAL 93 -8.520 6.600 1.059 687 HB VAL 93 HB VAL 93 -7.847 7.326 3.913 688 1HG1 VAL 93 HG11 VAL 93 -6.857 9.366 2.464 689 2HG1 VAL 93 HG12 VAL 93 -6.573 8.033 1.344 690 3HG1 VAL 93 HG13 VAL 93 -5.895 7.977 2.970 691 1HG2 VAL 93 HG21 VAL 93 -8.843 9.570 2.825 692 2HG2 VAL 93 HG22 VAL 93 -9.831 8.379 3.671 693 3HG2 VAL 93 HG23 VAL 93 -9.749 8.365 1.910 694 H TYR 94 HN TYR 94 -7.191 5.157 0.103 695 HA TYR 94 HA TYR 94 -5.437 3.485 1.670 696 1HB TYR 94 HB2 TYR 94 -6.364 3.633 -1.145 697 2HB TYR 94 HB1 TYR 94 -4.791 2.913 -0.861 698 HD1 TYR 94 HD1 TYR 94 -8.023 2.771 0.996 699 HD2 TYR 94 HD2 TYR 94 -4.952 0.603 -0.997 700 HE1 TYR 94 HE1 TYR 94 -9.126 0.661 1.607 701 HE2 TYR 94 HE2 TYR 94 -6.048 -1.514 -0.392 702 HH TYR 94 HH TYR 94 -8.939 -1.950 0.330 703 H THR 95 HN THR 95 -3.643 4.428 2.427 704 HA THR 95 HA THR 95 -2.188 6.290 0.672 705 HB THR 95 HB THR 95 -1.729 5.914 3.627 706 HG1 THR 95 HG1 THR 95 -3.650 6.726 3.841 707 1HG2 THR 95 HG21 THR 95 -0.030 7.275 3.084 708 2HG2 THR 95 HG22 THR 95 -1.286 8.512 3.145 709 3HG2 THR 95 HG23 THR 95 -0.799 7.824 1.595 710 H CYS 96 HN CYS 96 0.239 6.241 0.960 711 HA CYS 96 HA CYS 96 1.211 3.497 1.369 712 1HB CYS 96 HB2 CYS 96 2.829 3.979 -0.555 713 2HB CYS 96 HB1 CYS 96 1.154 3.649 -0.985 714 H GLY 97 HN GLY 97 3.038 3.326 2.544 715 1HA GLY 97 HA2 GLY 97 4.661 5.743 2.956 716 2HA GLY 97 HA1 GLY 97 4.013 4.901 4.354 717 H ALA 98 HN ALA 98 6.515 5.044 4.622 718 HA ALA 98 HA ALA 98 7.572 2.428 3.812 719 1HB ALA 98 HB1 ALA 98 8.603 5.021 3.033 720 2HB ALA 98 HB2 ALA 98 9.018 3.414 2.438 721 3HB ALA 98 HB3 ALA 98 9.811 4.053 3.877 722 H GLY 99 HN GLY 99 9.534 1.837 5.115 723 1HA GLY 99 HA2 GLY 99 9.092 2.691 7.902 724 2HA GLY 99 HA1 GLY 99 9.700 1.116 7.422 725 H GLU 100 HN GLU 100 11.233 1.961 9.211 726 HA GLU 100 HA GLU 100 13.741 2.418 8.057 727 1HB GLU 100 HB2 GLU 100 12.197 4.796 8.818 728 2HB GLU 100 HB1 GLU 100 13.828 4.751 9.473 729 1HG GLU 100 HG2 GLU 100 14.172 4.032 6.834 730 2HG GLU 100 HG1 GLU 100 12.918 5.269 6.769 731 H GLY 101 HN GLY 101 14.942 1.236 9.392 732 1HA GLY 101 HA2 GLY 101 15.865 0.390 11.297 733 2HA GLY 101 HA1 GLY 101 15.354 1.869 12.092 734 H GLY 102 HN GLY 102 12.826 0.094 10.625 735 1HA GLY 102 HA2 GLY 102 11.598 -1.738 11.612 736 2HA GLY 102 HA1 GLY 102 12.191 -1.222 13.183 737 H THR 103 HN THR 103 11.556 1.639 11.987 738 HA THR 103 HA THR 103 8.817 1.651 13.015 739 HB THR 103 HB THR 103 10.570 4.018 12.433 740 HG1 THR 103 HG1 THR 103 11.203 3.881 14.634 741 1HG2 THR 103 HG21 THR 103 9.229 4.684 14.649 742 2HG2 THR 103 HG22 THR 103 8.045 3.621 13.890 743 3HG2 THR 103 HG23 THR 103 8.650 5.032 13.020 744 H TRP 104 HN TRP 104 7.563 3.631 11.964 745 HA TRP 104 HA TRP 104 7.918 3.670 9.065 746 1HB TRP 104 HB2 TRP 104 5.374 2.867 10.483 747 2HB TRP 104 HB1 TRP 104 5.444 3.313 8.781 748 HD1 TRP 104 HD1 TRP 104 6.761 0.602 11.187 749 HE1 TRP 104 HE1 TRP 104 7.216 -1.533 9.819 750 HE3 TRP 104 HE3 TRP 104 5.865 2.436 6.501 751 HZ2 TRP 104 HZ2 TRP 104 7.197 -2.331 7.106 752 HZ3 TRP 104 HZ3 TRP 104 6.109 0.927 4.574 753 HH2 TRP 104 HH2 TRP 104 6.762 -1.408 4.872 754 H ASP 105 HN ASP 105 8.446 5.809 9.030 755 HA ASP 105 HA ASP 105 6.421 7.681 10.049 756 1HB ASP 105 HB2 ASP 105 8.418 7.983 11.310 757 2HB ASP 105 HB1 ASP 105 9.399 7.981 9.856 758 H SER 106 HN SER 106 7.711 6.399 7.260 759 HA SER 106 HA SER 106 7.482 8.842 5.690 760 1HB SER 106 HB2 SER 106 8.856 6.321 5.390 761 2HB SER 106 HB1 SER 106 7.873 6.650 3.966 762 HG SER 106 HG SER 106 9.849 8.330 5.114 763 H TRP 107 HN TRP 107 5.760 9.373 4.496 764 HA TRP 107 HA TRP 107 3.788 7.327 3.808 765 1HB TRP 107 HB2 TRP 107 2.968 9.943 5.067 766 2HB TRP 107 HB1 TRP 107 1.936 8.581 4.660 767 HD1 TRP 107 HD1 TRP 107 4.569 9.653 7.231 768 HE1 TRP 107 HE1 TRP 107 4.313 8.175 9.324 769 HE3 TRP 107 HE3 TRP 107 1.088 6.362 5.466 770 HZ2 TRP 107 HZ2 TRP 107 2.823 5.910 10.119 771 HZ3 TRP 107 HZ3 TRP 107 0.295 4.568 6.954 772 HH2 TRP 107 HH2 TRP 107 1.146 4.348 9.232 773 H GLY 108 HN GLY 108 2.147 8.170 2.260 774 1HA GLY 108 HA2 GLY 108 3.472 9.983 0.361 775 2HA GLY 108 HA1 GLY 108 2.226 8.811 -0.043 776 H GLN 109 HN GLN 109 0.638 10.019 -0.901 777 HA GLN 109 HA GLN 109 -0.260 12.376 0.595 778 1HB GLN 109 HB2 GLN 109 0.484 12.415 -1.923 779 2HB GLN 109 HB1 GLN 109 -1.153 11.840 -2.194 780 1HG GLN 109 HG2 GLN 109 -1.914 13.905 -2.040 781 2HG GLN 109 HG1 GLN 109 -1.287 14.023 -0.397 782 1HE2 GLN 109 HE21 GLN 109 1.436 13.862 -0.937 783 2HE2 GLN 109 HE22 GLN 109 1.922 15.289 -1.781 784 H GLY 110 HN GLY 110 -1.194 9.269 -0.626 785 1HA GLY 110 HA2 GLY 110 -2.971 8.024 0.334 786 2HA GLY 110 HA1 GLY 110 -3.753 9.528 0.782 787 H THR 111 HN THR 111 -4.799 7.188 -0.640 788 HA THR 111 HA THR 111 -6.016 8.639 -2.845 789 HB THR 111 HB THR 111 -4.214 7.573 -4.016 790 HG1 THR 111 HG1 THR 111 -5.724 7.188 -5.410 791 1HG2 THR 111 HG21 THR 111 -3.436 5.874 -2.597 792 2HG2 THR 111 HG22 THR 111 -4.047 5.059 -4.036 793 3HG2 THR 111 HG23 THR 111 -5.008 5.076 -2.558 794 H GLN 112 HN GLN 112 -8.130 8.414 -2.606 795 HA GLN 112 HA GLN 112 -9.268 6.536 -0.834 796 1HB GLN 112 HB2 GLN 112 -10.533 8.444 -0.975 797 2HB GLN 112 HB1 GLN 112 -10.321 8.597 -2.704 798 1HG GLN 112 HG2 GLN 112 -12.492 8.012 -2.709 799 2HG GLN 112 HG1 GLN 112 -11.823 6.385 -2.662 800 1HE2 GLN 112 HE21 GLN 112 -10.954 6.413 0.011 801 2HE2 GLN 112 HE22 GLN 112 -12.344 6.405 1.024 802 H VAL 113 HN VAL 113 -10.330 4.679 -1.133 803 HA VAL 113 HA VAL 113 -10.390 3.537 -3.848 804 HB VAL 113 HB VAL 113 -9.627 2.276 -1.225 805 1HG1 VAL 113 HG11 VAL 113 -10.640 0.974 -3.719 806 2HG1 VAL 113 HG12 VAL 113 -10.975 0.580 -2.033 807 3HG1 VAL 113 HG13 VAL 113 -9.418 0.158 -2.745 808 1HG2 VAL 113 HG21 VAL 113 -7.562 1.779 -2.252 809 2HG2 VAL 113 HG22 VAL 113 -7.928 3.448 -2.690 810 3HG2 VAL 113 HG23 VAL 113 -8.184 2.153 -3.860 811 H THR 114 HN THR 114 -12.580 4.207 -4.053 812 HA THR 114 HA THR 114 -14.557 3.449 -2.122 813 HB THR 114 HB THR 114 -14.876 4.460 -4.954 814 HG1 THR 114 HG1 THR 114 -14.290 6.272 -4.114 815 1HG2 THR 114 HG21 THR 114 -16.943 3.465 -4.199 816 2HG2 THR 114 HG22 THR 114 -17.087 5.222 -4.226 817 3HG2 THR 114 HG23 THR 114 -16.862 4.379 -2.693 818 H VAL 115 HN VAL 115 -16.215 1.931 -2.336 819 HA VAL 115 HA VAL 115 -15.840 -0.102 -4.418 820 HB VAL 115 HB VAL 115 -16.864 -0.862 -1.707 821 1HG1 VAL 115 HG11 VAL 115 -15.445 -2.954 -2.570 822 2HG1 VAL 115 HG12 VAL 115 -15.831 -2.215 -4.124 823 3HG1 VAL 115 HG13 VAL 115 -17.127 -2.685 -3.024 824 1HG2 VAL 115 HG21 VAL 115 -14.227 -1.639 -1.643 825 2HG2 VAL 115 HG22 VAL 115 -14.921 -0.282 -0.757 826 3HG2 VAL 115 HG23 VAL 115 -14.140 -0.010 -2.314 827 H SER 116 HN SER 116 -17.848 -1.487 -4.599 828 HA SER 116 HA SER 116 -20.094 0.242 -5.015 829 1HB SER 116 HB2 SER 116 -19.513 -1.559 -6.613 830 2HB SER 116 HB1 SER 116 -19.913 -2.755 -5.381 831 HG SER 116 HG SER 116 -21.956 -2.468 -5.784 832 H SER 117 HN SER 117 -20.073 -2.946 -3.465 833 HA SER 117 HA SER 117 -21.129 -3.760 -1.624 834 1HB SER 117 HB2 SER 117 -19.879 -1.977 -0.443 835 2HB SER 117 HB1 SER 117 -21.217 -0.867 -0.735 836 HG SER 117 HG SER 117 -21.374 -1.795 1.329 Start of MODEL 12 1 1H GLN 1 HT1 GLN 1 14.105 16.464 2.585 2 2H GLN 1 HT2 GLN 1 13.452 16.002 1.066 3 3H GLN 1 HT3 GLN 1 14.999 15.435 1.546 4 HA GLN 1 HA GLN 1 14.156 14.028 3.110 5 1HB GLN 1 HB2 GLN 1 11.711 14.138 3.728 6 2HB GLN 1 HB1 GLN 1 12.671 15.518 4.240 7 1HG GLN 1 HG2 GLN 1 11.865 16.645 2.095 8 2HG GLN 1 HG1 GLN 1 10.669 15.352 2.019 9 1HE2 GLN 1 HE21 GLN 1 12.012 17.391 4.599 10 2HE2 GLN 1 HE22 GLN 1 10.485 17.906 5.220 11 H VAL 2 HN VAL 2 12.078 12.402 2.856 12 HA VAL 2 HA VAL 2 12.066 11.702 -0.002 13 HB VAL 2 HB VAL 2 11.233 9.433 1.362 14 1HG1 VAL 2 HG11 VAL 2 12.597 8.945 -0.370 15 2HG1 VAL 2 HG12 VAL 2 13.813 8.865 0.905 16 3HG1 VAL 2 HG13 VAL 2 13.653 10.325 -0.070 17 1HG2 VAL 2 HG21 VAL 2 11.982 10.503 3.479 18 2HG2 VAL 2 HG22 VAL 2 13.618 10.560 2.822 19 3HG2 VAL 2 HG23 VAL 2 12.833 9.005 3.100 20 H GLN 3 HN GLN 3 10.142 10.726 -0.871 21 HA GLN 3 HA GLN 3 7.686 11.176 0.657 22 1HB GLN 3 HB2 GLN 3 8.346 12.378 -2.022 23 2HB GLN 3 HB1 GLN 3 6.685 12.153 -1.493 24 1HG GLN 3 HG2 GLN 3 7.046 13.595 0.402 25 2HG GLN 3 HG1 GLN 3 8.757 13.743 0.002 26 1HE2 GLN 3 HE21 GLN 3 5.524 14.687 -0.824 27 2HE2 GLN 3 HE22 GLN 3 5.952 15.961 -1.909 28 H LEU 4 HN LEU 4 5.751 10.409 -0.841 29 HA LEU 4 HA LEU 4 6.451 8.134 -2.498 30 1HB LEU 4 HB2 LEU 4 4.963 7.847 0.109 31 2HB LEU 4 HB1 LEU 4 4.932 6.631 -1.153 32 HG LEU 4 HG LEU 4 7.609 6.933 -0.834 33 1HD1 LEU 4 HD11 LEU 4 8.250 7.635 1.190 34 2HD1 LEU 4 HD12 LEU 4 6.920 6.810 2.003 35 3HD1 LEU 4 HD13 LEU 4 6.660 8.394 1.272 36 1HD2 LEU 4 HD21 LEU 4 7.533 4.777 -0.174 37 2HD2 LEU 4 HD22 LEU 4 5.826 4.935 -0.587 38 3HD2 LEU 4 HD23 LEU 4 6.345 5.092 1.091 39 H GLN 5 HN GLN 5 5.293 8.651 -4.248 40 HA GLN 5 HA GLN 5 2.615 9.771 -3.942 41 1HB GLN 5 HB2 GLN 5 4.467 9.463 -6.298 42 2HB GLN 5 HB1 GLN 5 2.790 9.954 -6.488 43 1HG GLN 5 HG2 GLN 5 3.213 11.878 -5.011 44 2HG GLN 5 HG1 GLN 5 4.907 11.400 -4.912 45 1HE2 GLN 5 HE21 GLN 5 6.093 12.713 -6.086 46 2HE2 GLN 5 HE22 GLN 5 5.706 13.307 -7.662 47 H GLU 6 HN GLU 6 0.931 8.949 -5.533 48 HA GLU 6 HA GLU 6 1.069 6.008 -5.692 49 1HB GLU 6 HB2 GLU 6 -1.645 6.733 -5.635 50 2HB GLU 6 HB1 GLU 6 -0.732 5.916 -4.377 51 1HG GLU 6 HG2 GLU 6 -0.848 8.907 -4.617 52 2HG GLU 6 HG1 GLU 6 -2.020 7.972 -3.689 53 H SER 7 HN SER 7 -0.393 5.059 -7.345 54 HA SER 7 HA SER 7 -1.251 6.755 -9.510 55 1HB SER 7 HB2 SER 7 1.351 6.198 -9.681 56 2HB SER 7 HB1 SER 7 0.728 4.704 -10.381 57 HG SER 7 HG SER 7 -0.330 5.913 -11.944 58 H GLY 8 HN GLY 8 -3.038 5.889 -10.330 59 1HA GLY 8 HA2 GLY 8 -4.139 4.046 -11.438 60 2HA GLY 8 HA1 GLY 8 -3.295 2.952 -10.352 61 H GLY 9 HN GLY 9 -3.864 4.677 -8.010 62 1HA GLY 9 HA2 GLY 9 -6.077 3.423 -6.996 63 2HA GLY 9 HA1 GLY 9 -5.470 4.958 -6.407 64 H GLY 10 HN GLY 10 -8.200 3.743 -6.929 65 1HA GLY 10 HA2 GLY 10 -9.609 6.079 -7.437 66 2HA GLY 10 HA1 GLY 10 -9.446 5.253 -8.979 67 H LEU 11 HN LEU 11 -11.777 5.121 -8.938 68 HA LEU 11 HA LEU 11 -13.162 3.691 -6.962 69 1HB LEU 11 HB2 LEU 11 -13.969 4.209 -9.813 70 2HB LEU 11 HB1 LEU 11 -15.039 3.742 -8.501 71 HG LEU 11 HG LEU 11 -13.640 6.036 -7.646 72 1HD1 LEU 11 HD11 LEU 11 -14.809 6.335 -10.410 73 2HD1 LEU 11 HD12 LEU 11 -13.120 6.551 -9.948 74 3HD1 LEU 11 HD13 LEU 11 -14.347 7.671 -9.355 75 1HD2 LEU 11 HD21 LEU 11 -16.433 6.260 -8.610 76 2HD2 LEU 11 HD22 LEU 11 -15.718 6.754 -7.075 77 3HD2 LEU 11 HD23 LEU 11 -16.101 5.057 -7.365 78 H VAL 12 HN VAL 12 -14.053 1.591 -7.031 79 HA VAL 12 HA VAL 12 -13.096 -0.209 -9.128 80 HB VAL 12 HB VAL 12 -11.396 -0.377 -7.403 81 1HG1 VAL 12 HG11 VAL 12 -13.243 0.238 -5.602 82 2HG1 VAL 12 HG12 VAL 12 -11.775 -0.640 -5.174 83 3HG1 VAL 12 HG13 VAL 12 -13.286 -1.515 -5.421 84 1HG2 VAL 12 HG21 VAL 12 -12.902 -2.889 -6.958 85 2HG2 VAL 12 HG22 VAL 12 -11.236 -2.643 -7.479 86 3HG2 VAL 12 HG23 VAL 12 -12.558 -2.438 -8.628 87 H GLN 13 HN GLN 13 -14.669 -1.520 -9.783 88 HA GLN 13 HA GLN 13 -17.225 -1.503 -8.556 89 1HB GLN 13 HB2 GLN 13 -15.994 -2.710 -10.931 90 2HB GLN 13 HB1 GLN 13 -17.374 -3.569 -10.274 91 1HG GLN 13 HG2 GLN 13 -18.770 -1.643 -10.511 92 2HG GLN 13 HG1 GLN 13 -17.391 -0.649 -10.978 93 1HE2 GLN 13 HE21 GLN 13 -16.572 -0.799 -13.042 94 2HE2 GLN 13 HE22 GLN 13 -17.393 -1.625 -14.318 95 H ALA 14 HN ALA 14 -18.028 -2.765 -7.008 96 HA ALA 14 HA ALA 14 -16.548 -4.494 -5.473 97 1HB ALA 14 HB1 ALA 14 -18.953 -3.438 -5.178 98 2HB ALA 14 HB2 ALA 14 -18.450 -4.868 -4.276 99 3HB ALA 14 HB3 ALA 14 -19.454 -5.042 -5.715 100 H GLY 15 HN GLY 15 -15.784 -6.492 -5.739 101 1HA GLY 15 HA2 GLY 15 -16.191 -8.816 -6.276 102 2HA GLY 15 HA1 GLY 15 -17.168 -8.279 -7.633 103 H GLY 16 HN GLY 16 -14.576 -6.271 -7.641 104 1HA GLY 16 HA2 GLY 16 -13.101 -8.050 -9.481 105 2HA GLY 16 HA1 GLY 16 -13.246 -6.313 -9.701 106 H SER 17 HN SER 17 -10.979 -6.109 -9.798 107 HA SER 17 HA SER 17 -9.723 -6.082 -7.162 108 1HB SER 17 HB2 SER 17 -9.093 -8.164 -8.536 109 2HB SER 17 HB1 SER 17 -8.184 -7.042 -9.542 110 HG SER 17 HG SER 17 -7.078 -6.387 -7.618 111 H LEU 18 HN LEU 18 -8.279 -4.433 -6.821 112 HA LEU 18 HA LEU 18 -7.843 -2.583 -9.070 113 1HB LEU 18 HB2 LEU 18 -9.517 -1.659 -7.559 114 2HB LEU 18 HB1 LEU 18 -8.444 -1.894 -6.192 115 HG LEU 18 HG LEU 18 -6.881 -0.341 -7.755 116 1HD1 LEU 18 HD11 LEU 18 -9.434 1.097 -8.098 117 2HD1 LEU 18 HD12 LEU 18 -9.138 -0.247 -9.201 118 3HD1 LEU 18 HD13 LEU 18 -7.988 1.087 -9.109 119 1HD2 LEU 18 HD21 LEU 18 -8.940 0.429 -5.702 120 2HD2 LEU 18 HD22 LEU 18 -7.763 1.571 -6.351 121 3HD2 LEU 18 HD23 LEU 18 -7.215 0.146 -5.467 122 H ARG 19 HN ARG 19 -5.774 -2.027 -9.416 123 HA ARG 19 HA ARG 19 -3.801 -2.862 -7.402 124 1HB ARG 19 HB2 ARG 19 -3.615 -4.004 -9.560 125 2HB ARG 19 HB1 ARG 19 -3.456 -2.454 -10.372 126 1HG ARG 19 HG2 ARG 19 -1.268 -2.493 -10.067 127 2HG ARG 19 HG1 ARG 19 -1.494 -2.591 -8.320 128 1HD ARG 19 HD2 ARG 19 -0.247 -4.493 -8.822 129 2HD ARG 19 HD1 ARG 19 -1.901 -5.095 -8.716 130 HE ARG 19 HE ARG 19 -1.751 -5.701 -10.905 131 1HH1 ARG 19 HH11 ARG 19 0.651 -3.248 -10.287 132 2HH1 ARG 19 HH12 ARG 19 1.335 -3.339 -11.875 133 1HH2 ARG 19 HH21 ARG 19 -0.856 -5.822 -12.996 134 2HH2 ARG 19 HH22 ARG 19 0.477 -4.797 -13.415 135 H LEU 20 HN LEU 20 -2.582 -1.398 -6.419 136 HA LEU 20 HA LEU 20 -2.500 1.327 -7.541 137 1HB LEU 20 HB2 LEU 20 -2.013 0.799 -4.641 138 2HB LEU 20 HB1 LEU 20 -2.590 2.257 -5.421 139 HG LEU 20 HG LEU 20 -4.195 -0.267 -5.012 140 1HD1 LEU 20 HD11 LEU 20 -4.040 0.729 -2.914 141 2HD1 LEU 20 HD12 LEU 20 -5.542 1.379 -3.571 142 3HD1 LEU 20 HD13 LEU 20 -4.078 2.362 -3.579 143 1HD2 LEU 20 HD21 LEU 20 -4.556 2.041 -6.740 144 2HD2 LEU 20 HD22 LEU 20 -5.907 1.806 -5.631 145 3HD2 LEU 20 HD23 LEU 20 -5.415 0.501 -6.711 146 H SER 21 HN SER 21 -0.559 2.284 -7.805 147 HA SER 21 HA SER 21 1.813 0.754 -6.960 148 1HB SER 21 HB2 SER 21 2.951 1.513 -8.978 149 2HB SER 21 HB1 SER 21 1.448 0.699 -9.412 150 HG SER 21 HG SER 21 0.541 2.615 -9.922 151 H CYS 22 HN CYS 22 2.894 1.768 -5.419 152 HA CYS 22 HA CYS 22 2.932 4.712 -5.433 153 1HB CYS 22 HB2 CYS 22 2.531 2.753 -3.294 154 2HB CYS 22 HB1 CYS 22 3.740 3.972 -2.903 155 H ALA 23 HN ALA 23 4.797 5.540 -6.070 156 HA ALA 23 HA ALA 23 7.235 3.947 -5.875 157 1HB ALA 23 HB1 ALA 23 7.391 6.608 -7.109 158 2HB ALA 23 HB2 ALA 23 6.283 5.482 -7.893 159 3HB ALA 23 HB3 ALA 23 7.981 5.050 -7.687 160 H ALA 24 HN ALA 24 9.132 4.696 -4.896 161 HA ALA 24 HA ALA 24 8.680 6.722 -2.814 162 1HB ALA 24 HB1 ALA 24 9.338 4.929 -1.595 163 2HB ALA 24 HB2 ALA 24 10.940 5.546 -2.001 164 3HB ALA 24 HB3 ALA 24 10.246 4.216 -2.929 165 H SER 25 HN SER 25 9.207 8.610 -3.848 166 HA SER 25 HA SER 25 11.470 8.906 -5.543 167 1HB SER 25 HB2 SER 25 10.997 11.334 -5.369 168 2HB SER 25 HB1 SER 25 9.551 10.398 -5.748 169 HG SER 25 HG SER 25 10.299 11.345 -3.177 170 H GLY 26 HN GLY 26 13.428 9.990 -5.150 171 1HA GLY 26 HA2 GLY 26 14.885 11.199 -3.624 172 2HA GLY 26 HA1 GLY 26 14.125 10.327 -2.301 173 H ARG 27 HN ARG 27 15.841 9.299 -1.426 174 HA ARG 27 HA ARG 27 16.849 6.988 -2.745 175 1HB ARG 27 HB2 ARG 27 18.261 8.634 -3.865 176 2HB ARG 27 HB1 ARG 27 18.764 9.288 -2.313 177 1HG ARG 27 HG2 ARG 27 19.233 6.409 -2.665 178 2HG ARG 27 HG1 ARG 27 20.163 7.466 -3.729 179 1HD ARG 27 HD2 ARG 27 21.351 8.377 -2.015 180 2HD ARG 27 HD1 ARG 27 20.028 8.204 -0.862 181 HE ARG 27 HE ARG 27 20.941 6.222 -0.219 182 1HH1 ARG 27 HH11 ARG 27 22.085 6.948 -3.434 183 2HH1 ARG 27 HH12 ARG 27 23.143 5.579 -3.502 184 1HH2 ARG 27 HH21 ARG 27 22.332 4.421 -0.306 185 2HH2 ARG 27 HH22 ARG 27 23.282 4.143 -1.727 186 H THR 28 HN THR 28 17.096 5.523 -1.196 187 HA THR 28 HA THR 28 18.401 6.168 1.293 188 HB THR 28 HB THR 28 16.259 6.878 1.989 189 HG1 THR 28 HG1 THR 28 16.585 5.688 3.673 190 1HG2 THR 28 HG21 THR 28 15.154 4.431 0.642 191 2HG2 THR 28 HG22 THR 28 14.829 6.120 0.254 192 3HG2 THR 28 HG23 THR 28 14.240 5.434 1.768 193 H GLY 29 HN GLY 29 19.758 4.529 1.546 194 1HA GLY 29 HA2 GLY 29 18.882 1.840 0.734 195 2HA GLY 29 HA1 GLY 29 20.553 2.381 0.727 196 H SER 30 HN SER 30 18.328 3.114 3.302 197 HA SER 30 HA SER 30 20.016 1.607 5.157 198 1HB SER 30 HB2 SER 30 19.343 4.085 5.469 199 2HB SER 30 HB1 SER 30 17.767 3.446 5.940 200 HG SER 30 HG SER 30 20.204 2.618 7.129 201 H THR 31 HN THR 31 18.260 0.138 3.469 202 HA THR 31 HA THR 31 16.807 -1.610 3.593 203 HB THR 31 HB THR 31 16.745 -1.276 6.587 204 HG1 THR 31 HG1 THR 31 18.797 -2.375 4.980 205 1HG2 THR 31 HG21 THR 31 15.732 -3.234 4.838 206 2HG2 THR 31 HG22 THR 31 15.761 -3.248 6.601 207 3HG2 THR 31 HG23 THR 31 17.099 -3.950 5.692 208 H TYR 32 HN TYR 32 15.874 1.084 3.308 209 HA TYR 32 HA TYR 32 13.568 1.551 4.882 210 1HB TYR 32 HB2 TYR 32 15.036 2.999 3.076 211 2HB TYR 32 HB1 TYR 32 13.562 2.687 2.175 212 HD1 TYR 32 HD1 TYR 32 14.616 3.812 5.580 213 HD2 TYR 32 HD2 TYR 32 11.858 4.234 2.369 214 HE1 TYR 32 HE1 TYR 32 13.530 5.672 6.766 215 HE2 TYR 32 HE2 TYR 32 10.764 6.095 3.546 216 HH TYR 32 HH TYR 32 11.754 7.870 5.503 217 H ASP 33 HN ASP 33 11.856 0.259 4.894 218 HA ASP 33 HA ASP 33 11.152 -1.314 2.559 219 1HB ASP 33 HB2 ASP 33 9.245 -2.059 4.186 220 2HB ASP 33 HB1 ASP 33 10.890 -2.611 4.465 221 H MET 34 HN MET 34 8.599 -1.512 2.293 222 HA MET 34 HA MET 34 7.321 1.104 2.391 223 1HB MET 34 HB2 MET 34 8.391 -0.117 -0.041 224 2HB MET 34 HB1 MET 34 6.687 0.297 -0.172 225 1HG MET 34 HG2 MET 34 7.103 2.575 0.252 226 2HG MET 34 HG1 MET 34 8.748 2.250 0.796 227 1HE MET 34 HE1 MET 34 10.865 2.379 -2.241 228 2HE MET 34 HE2 MET 34 10.662 1.368 -0.810 229 3HE MET 34 HE3 MET 34 10.593 3.125 -0.666 230 H GLY 35 HN GLY 35 5.188 0.959 2.787 231 1HA GLY 35 HA2 GLY 35 3.742 -1.473 2.058 232 2HA GLY 35 HA1 GLY 35 3.848 -1.102 3.772 233 H TRP 36 HN TRP 36 1.481 -1.274 2.065 234 HA TRP 36 HA TRP 36 0.563 1.456 1.809 235 1HB TRP 36 HB2 TRP 36 -0.681 -1.195 1.185 236 2HB TRP 36 HB1 TRP 36 -1.550 0.315 1.026 237 HD1 TRP 36 HD1 TRP 36 1.447 -1.563 -0.494 238 HE1 TRP 36 HE1 TRP 36 1.865 -0.638 -2.859 239 HE3 TRP 36 HE3 TRP 36 -1.931 2.276 -0.476 240 HZ2 TRP 36 HZ2 TRP 36 0.892 1.443 -4.501 241 HZ3 TRP 36 HZ3 TRP 36 -2.124 3.686 -2.483 242 HH2 TRP 36 HH2 TRP 36 -0.741 3.278 -4.452 243 H PHE 37 HN PHE 37 -1.370 2.218 2.785 244 HA PHE 37 HA PHE 37 -2.188 0.853 5.235 245 1HB PHE 37 HB2 PHE 37 -0.881 3.505 4.944 246 2HB PHE 37 HB1 PHE 37 -2.202 3.391 6.091 247 HD1 PHE 37 HD1 PHE 37 -1.704 2.831 8.258 248 HD2 PHE 37 HD2 PHE 37 0.906 1.566 5.145 249 HE1 PHE 37 HE1 PHE 37 -0.162 1.900 9.935 250 HE2 PHE 37 HE2 PHE 37 2.451 0.627 6.815 251 HZ PHE 37 HZ PHE 37 1.917 0.794 9.213 252 H ARG 38 HN ARG 38 -4.043 2.374 6.248 253 HA ARG 38 HA ARG 38 -5.737 3.454 4.133 254 1HB ARG 38 HB2 ARG 38 -7.127 1.709 6.046 255 2HB ARG 38 HB1 ARG 38 -7.479 2.027 4.364 256 1HG ARG 38 HG2 ARG 38 -5.536 0.587 3.758 257 2HG ARG 38 HG1 ARG 38 -5.396 0.161 5.465 258 1HD ARG 38 HD2 ARG 38 -7.885 -0.236 3.814 259 2HD ARG 38 HD1 ARG 38 -6.676 -1.487 4.093 260 HE ARG 38 HE ARG 38 -8.618 -0.471 5.991 261 1HH1 ARG 38 HH11 ARG 38 -5.708 -2.343 5.509 262 2HH1 ARG 38 HH12 ARG 38 -5.877 -3.214 6.995 263 1HH2 ARG 38 HH21 ARG 38 -8.835 -1.616 7.945 264 2HH2 ARG 38 HH22 ARG 38 -7.649 -2.802 8.377 265 H GLN 39 HN GLN 39 -7.633 4.632 4.996 266 HA GLN 39 HA GLN 39 -7.459 5.404 7.796 267 1HB GLN 39 HB2 GLN 39 -6.366 7.005 5.673 268 2HB GLN 39 HB1 GLN 39 -7.715 7.853 6.415 269 1HG GLN 39 HG2 GLN 39 -5.289 6.771 7.828 270 2HG GLN 39 HG1 GLN 39 -5.639 8.464 7.483 271 1HE2 GLN 39 HE21 GLN 39 -5.109 7.643 10.033 272 2HE2 GLN 39 HE22 GLN 39 -6.543 7.746 10.991 273 H ALA 40 HN ALA 40 -9.436 5.522 8.606 274 HA ALA 40 HA ALA 40 -11.674 6.151 6.791 275 1HB ALA 40 HB1 ALA 40 -12.911 4.798 8.756 276 2HB ALA 40 HB2 ALA 40 -11.332 4.014 8.799 277 3HB ALA 40 HB3 ALA 40 -12.268 4.030 7.305 278 HA PRO 41 HA PRO 41 -12.755 9.484 9.452 279 1HB PRO 41 HB2 PRO 41 -15.476 9.444 9.398 280 2HB PRO 41 HB1 PRO 41 -14.495 9.984 8.030 281 1HG PRO 41 HG2 PRO 41 -15.810 7.335 8.490 282 2HG PRO 41 HG1 PRO 41 -15.716 8.295 7.002 283 1HD PRO 41 HD2 PRO 41 -14.106 6.166 7.471 284 2HD PRO 41 HD1 PRO 41 -13.581 7.570 6.519 285 H GLY 42 HN GLY 42 -12.934 9.855 11.555 286 1HA GLY 42 HA2 GLY 42 -13.402 9.525 13.784 287 2HA GLY 42 HA1 GLY 42 -14.656 8.392 13.293 288 H LYS 43 HN LYS 43 -11.870 7.442 11.783 289 HA LYS 43 HA LYS 43 -11.256 5.527 13.931 290 1HB LYS 43 HB2 LYS 43 -12.247 4.928 11.539 291 2HB LYS 43 HB1 LYS 43 -10.553 5.008 11.091 292 1HG LYS 43 HG2 LYS 43 -10.313 2.921 11.798 293 2HG LYS 43 HG1 LYS 43 -10.659 3.471 13.438 294 1HD LYS 43 HD2 LYS 43 -12.932 2.934 13.261 295 2HD LYS 43 HD1 LYS 43 -12.864 2.846 11.500 296 1HE LYS 43 HE2 LYS 43 -13.024 0.621 12.488 297 2HE LYS 43 HE1 LYS 43 -11.490 0.835 11.646 298 1HZ LYS 43 HZ1 LYS 43 -12.014 0.457 14.477 299 2HZ LYS 43 HZ2 LYS 43 -10.814 1.589 14.105 300 3HZ LYS 43 HZ3 LYS 43 -10.674 -0.003 13.551 301 H GLU 44 HN GLU 44 -8.941 4.476 13.194 302 HA GLU 44 HA GLU 44 -7.093 6.757 13.087 303 1HB GLU 44 HB2 GLU 44 -5.510 5.383 14.344 304 2HB GLU 44 HB1 GLU 44 -7.030 5.533 15.212 305 1HG GLU 44 HG2 GLU 44 -7.523 3.338 15.018 306 2HG GLU 44 HG1 GLU 44 -6.749 3.190 13.441 307 H ARG 45 HN ARG 45 -4.737 5.547 12.554 308 HA ARG 45 HA ARG 45 -5.012 4.926 9.761 309 1HB ARG 45 HB2 ARG 45 -2.674 5.136 9.621 310 2HB ARG 45 HB1 ARG 45 -3.150 6.308 10.841 311 1HG ARG 45 HG2 ARG 45 -2.595 4.493 12.550 312 2HG ARG 45 HG1 ARG 45 -1.789 3.664 11.216 313 1HD ARG 45 HD2 ARG 45 -1.130 6.322 12.450 314 2HD ARG 45 HD1 ARG 45 -0.101 4.903 12.278 315 HE ARG 45 HE ARG 45 0.283 5.461 10.047 316 1HH1 ARG 45 HH11 ARG 45 -1.943 7.709 11.534 317 2HH1 ARG 45 HH12 ARG 45 -1.778 8.888 10.278 318 1HH2 ARG 45 HH21 ARG 45 0.492 7.011 8.402 319 2HH2 ARG 45 HH22 ARG 45 -0.399 8.493 8.501 320 H GLU 46 HN GLU 46 -5.163 2.980 8.870 321 HA GLU 46 HA GLU 46 -4.338 0.640 10.464 322 1HB GLU 46 HB2 GLU 46 -6.427 0.286 8.384 323 2HB GLU 46 HB1 GLU 46 -6.240 -0.517 9.935 324 1HG GLU 46 HG2 GLU 46 -6.842 2.219 10.416 325 2HG GLU 46 HG1 GLU 46 -7.985 1.594 9.231 326 H SER 47 HN SER 47 -2.679 -0.415 9.563 327 HA SER 47 HA SER 47 -1.796 0.159 6.934 328 1HB SER 47 HB2 SER 47 -0.343 -0.510 8.903 329 2HB SER 47 HB1 SER 47 -0.889 -2.152 8.640 330 HG SER 47 HG SER 47 0.118 -0.755 6.447 331 H VAL 48 HN VAL 48 -1.225 -1.692 5.468 332 HA VAL 48 HA VAL 48 -3.413 -3.650 5.317 333 HB VAL 48 HB VAL 48 -2.341 -2.455 2.809 334 1HG1 VAL 48 HG11 VAL 48 -3.706 -4.455 2.657 335 2HG1 VAL 48 HG12 VAL 48 -4.556 -3.076 1.960 336 3HG1 VAL 48 HG13 VAL 48 -4.994 -3.663 3.564 337 1HG2 VAL 48 HG21 VAL 48 -3.063 -0.429 3.456 338 2HG2 VAL 48 HG22 VAL 48 -4.013 -1.088 4.787 339 3HG2 VAL 48 HG23 VAL 48 -4.668 -1.091 3.151 340 H ALA 49 HN ALA 49 -0.532 -2.873 3.363 341 HA ALA 49 HA ALA 49 0.606 -5.469 4.045 342 1HB ALA 49 HB1 ALA 49 0.386 -4.711 1.151 343 2HB ALA 49 HB2 ALA 49 -0.865 -5.654 1.960 344 3HB ALA 49 HB3 ALA 49 0.781 -6.278 1.857 345 H ALA 50 HN ALA 50 2.717 -5.352 4.345 346 HA ALA 50 HA ALA 50 4.172 -3.079 3.159 347 1HB ALA 50 HB1 ALA 50 5.600 -3.646 5.406 348 2HB ALA 50 HB2 ALA 50 3.946 -3.950 5.942 349 3HB ALA 50 HB3 ALA 50 4.383 -2.376 5.275 350 H ILE 51 HN ILE 51 6.249 -3.458 2.421 351 HA ILE 51 HA ILE 51 7.165 -6.251 2.490 352 HB ILE 51 HB ILE 51 6.158 -5.755 0.302 353 1HG1 ILE 51 HG12 ILE 51 8.188 -6.352 -1.090 354 2HG1 ILE 51 HG11 ILE 51 9.152 -6.150 0.369 355 1HG2 ILE 51 HG21 ILE 51 7.406 -4.179 -1.213 356 2HG2 ILE 51 HG22 ILE 51 8.227 -3.575 0.226 357 3HG2 ILE 51 HG23 ILE 51 6.477 -3.419 0.079 358 1HD1 ILE 51 HD11 ILE 51 8.801 -8.395 0.421 359 2HD1 ILE 51 HD12 ILE 51 7.221 -8.281 -0.355 360 3HD1 ILE 51 HD13 ILE 51 7.401 -7.854 1.347 361 H ASN 52 HN ASN 52 9.373 -6.591 2.549 362 HA ASN 52 HA ASN 52 10.928 -4.331 3.494 363 1HB ASN 52 HB2 ASN 52 10.835 -6.880 4.326 364 2HB ASN 52 HB1 ASN 52 12.202 -6.981 3.226 365 1HD2 ASN 52 HD21 ASN 52 13.682 -7.323 4.854 366 2HD2 ASN 52 HD22 ASN 52 14.147 -6.087 5.968 367 H TRP 53 HN TRP 53 13.498 -5.206 2.725 368 HA TRP 53 HA TRP 53 13.425 -4.536 -0.135 369 1HB TRP 53 HB2 TRP 53 14.670 -3.125 1.723 370 2HB TRP 53 HB1 TRP 53 15.928 -4.333 1.484 371 HD1 TRP 53 HD1 TRP 53 17.525 -3.958 -0.502 372 HE1 TRP 53 HE1 TRP 53 17.617 -2.316 -2.483 373 HE3 TRP 53 HE3 TRP 53 12.945 -1.759 0.055 374 HZ2 TRP 53 HZ2 TRP 53 15.964 -0.348 -3.653 375 HZ3 TRP 53 HZ3 TRP 53 12.276 -0.005 -1.535 376 HH2 TRP 53 HH2 TRP 53 13.756 0.685 -3.350 377 H ASP 54 HN ASP 54 14.599 -6.833 2.210 378 HA ASP 54 HA ASP 54 15.623 -8.489 0.000 379 1HB ASP 54 HB2 ASP 54 16.768 -8.243 2.790 380 2HB ASP 54 HB1 ASP 54 17.307 -9.402 1.579 381 H SER 55 HN SER 55 15.483 -10.785 0.330 382 HA SER 55 HA SER 55 14.637 -12.744 1.189 383 1HB SER 55 HB2 SER 55 12.884 -11.319 3.157 384 2HB SER 55 HB1 SER 55 13.657 -12.899 3.287 385 HG SER 55 HG SER 55 14.585 -10.449 4.017 386 H ALA 56 HN ALA 56 12.604 -9.990 0.519 387 HA ALA 56 HA ALA 56 10.857 -9.812 -0.948 388 1HB ALA 56 HB1 ALA 56 11.849 -12.014 -1.842 389 2HB ALA 56 HB2 ALA 56 10.190 -11.581 -2.261 390 3HB ALA 56 HB3 ALA 56 10.504 -12.765 -0.988 391 H ARG 57 HN ARG 57 10.887 -11.429 1.996 392 HA ARG 57 HA ARG 57 8.256 -12.178 2.429 393 1HB ARG 57 HB2 ARG 57 10.588 -11.658 4.045 394 2HB ARG 57 HB1 ARG 57 9.145 -11.063 4.854 395 1HG ARG 57 HG2 ARG 57 8.385 -13.550 3.936 396 2HG ARG 57 HG1 ARG 57 10.060 -13.783 4.438 397 1HD ARG 57 HD2 ARG 57 8.357 -12.230 6.279 398 2HD ARG 57 HD1 ARG 57 7.957 -13.939 6.114 399 HE ARG 57 HE ARG 57 10.752 -13.446 6.565 400 1HH1 ARG 57 HH11 ARG 57 7.649 -13.917 8.090 401 2HH1 ARG 57 HH12 ARG 57 8.326 -14.461 9.588 402 1HH2 ARG 57 HH21 ARG 57 11.647 -14.162 8.533 403 2HH2 ARG 57 HH22 ARG 57 10.597 -14.602 9.838 404 H THR 58 HN THR 58 6.404 -11.163 3.040 405 HA THR 58 HA THR 58 6.472 -8.220 3.115 406 HB THR 58 HB THR 58 3.913 -9.404 2.359 407 HG1 THR 58 HG1 THR 58 4.918 -10.871 1.159 408 1HG2 THR 58 HG21 THR 58 4.673 -7.833 0.288 409 2HG2 THR 58 HG22 THR 58 5.572 -7.116 1.624 410 3HG2 THR 58 HG23 THR 58 3.818 -7.269 1.723 411 H TYR 59 HN TYR 59 4.125 -7.514 3.993 412 HA TYR 59 HA TYR 59 3.501 -9.070 6.397 413 1HB TYR 59 HB2 TYR 59 5.033 -7.411 7.198 414 2HB TYR 59 HB1 TYR 59 4.224 -6.139 6.295 415 HD1 TYR 59 HD1 TYR 59 3.608 -4.643 7.995 416 HD2 TYR 59 HD2 TYR 59 2.640 -8.767 8.393 417 HE1 TYR 59 HE1 TYR 59 2.214 -4.121 9.951 418 HE2 TYR 59 HE2 TYR 59 1.243 -8.256 10.351 419 HH TYR 59 HH TYR 59 0.143 -5.288 11.101 420 H TYR 60 HN TYR 60 1.544 -9.686 5.439 421 HA TYR 60 HA TYR 60 -0.287 -7.758 4.384 422 1HB TYR 60 HB2 TYR 60 -0.644 -10.666 5.132 423 2HB TYR 60 HB1 TYR 60 -1.834 -9.695 4.279 424 HD1 TYR 60 HD1 TYR 60 1.487 -11.262 4.031 425 HD2 TYR 60 HD2 TYR 60 -1.607 -9.222 1.941 426 HE1 TYR 60 HE1 TYR 60 2.547 -11.857 1.894 427 HE2 TYR 60 HE2 TYR 60 -0.556 -9.811 -0.202 428 HH TYR 60 HH TYR 60 1.700 -12.156 -0.562 429 H ALA 61 HN ALA 61 -2.409 -7.322 5.253 430 HA ALA 61 HA ALA 61 -2.421 -7.340 8.197 431 1HB ALA 61 HB1 ALA 61 -4.042 -5.414 7.927 432 2HB ALA 61 HB2 ALA 61 -3.600 -5.407 6.220 433 3HB ALA 61 HB3 ALA 61 -2.373 -5.102 7.449 434 H SER 62 HN SER 62 -4.671 -7.288 9.159 435 HA SER 62 HA SER 62 -6.075 -9.596 8.300 436 1HB SER 62 HB2 SER 62 -7.423 -9.317 10.206 437 2HB SER 62 HB1 SER 62 -5.879 -8.616 10.689 438 HG SER 62 HG SER 62 -6.786 -6.720 10.820 439 H SER 63 HN SER 63 -8.236 -9.750 7.582 440 HA SER 63 HA SER 63 -10.175 -9.083 6.533 441 1HB SER 63 HB2 SER 63 -9.512 -6.702 7.629 442 2HB SER 63 HB1 SER 63 -9.289 -6.321 5.922 443 HG SER 63 HG SER 63 -11.429 -5.921 6.580 444 H VAL 64 HN VAL 64 -6.987 -8.838 5.463 445 HA VAL 64 HA VAL 64 -7.813 -9.431 2.747 446 HB VAL 64 HB VAL 64 -6.299 -7.790 1.733 447 1HG1 VAL 64 HG11 VAL 64 -7.675 -5.803 2.108 448 2HG1 VAL 64 HG12 VAL 64 -8.366 -6.553 3.547 449 3HG1 VAL 64 HG13 VAL 64 -8.666 -7.254 1.956 450 1HG2 VAL 64 HG21 VAL 64 -4.904 -6.450 2.875 451 2HG2 VAL 64 HG22 VAL 64 -5.148 -7.594 4.195 452 3HG2 VAL 64 HG23 VAL 64 -6.098 -6.110 4.127 453 H ARG 65 HN ARG 65 -6.230 -10.520 5.203 454 HA ARG 65 HA ARG 65 -3.588 -10.903 4.292 455 1HB ARG 65 HB2 ARG 65 -4.724 -11.126 6.685 456 2HB ARG 65 HB1 ARG 65 -4.859 -12.806 6.192 457 1HG ARG 65 HG2 ARG 65 -2.256 -12.176 5.575 458 2HG ARG 65 HG1 ARG 65 -2.548 -11.296 7.075 459 1HD ARG 65 HD2 ARG 65 -3.668 -13.687 7.665 460 2HD ARG 65 HD1 ARG 65 -2.377 -14.192 6.576 461 HE ARG 65 HE ARG 65 -1.105 -12.535 8.281 462 1HH1 ARG 65 HH11 ARG 65 -3.219 -15.265 8.780 463 2HH1 ARG 65 HH12 ARG 65 -2.474 -15.728 10.273 464 1HH2 ARG 65 HH21 ARG 65 -0.122 -13.142 10.242 465 2HH2 ARG 65 HH22 ARG 65 -0.715 -14.523 11.104 466 H GLY 66 HN GLY 66 -4.033 -11.553 2.159 467 1HA GLY 66 HA2 GLY 66 -3.431 -13.706 1.045 468 2HA GLY 66 HA1 GLY 66 -4.799 -14.385 1.913 469 H ARG 67 HN ARG 67 -5.583 -11.281 1.076 470 HA ARG 67 HA ARG 67 -6.942 -12.207 -1.374 471 1HB ARG 67 HB2 ARG 67 -7.918 -9.875 0.234 472 2HB ARG 67 HB1 ARG 67 -8.820 -10.945 -0.832 473 1HG ARG 67 HG2 ARG 67 -8.532 -12.761 0.832 474 2HG ARG 67 HG1 ARG 67 -7.765 -11.596 1.912 475 1HD ARG 67 HD2 ARG 67 -10.131 -10.366 1.129 476 2HD ARG 67 HD1 ARG 67 -10.571 -12.057 1.373 477 HE ARG 67 HE ARG 67 -9.016 -10.804 3.484 478 1HH1 ARG 67 HH11 ARG 67 -12.177 -11.738 2.324 479 2HH1 ARG 67 HH12 ARG 67 -12.894 -11.721 3.899 480 1HH2 ARG 67 HH21 ARG 67 -9.963 -10.784 5.552 481 2HH2 ARG 67 HH22 ARG 67 -11.640 -11.176 5.730 482 H PHE 68 HN PHE 68 -5.315 -9.469 0.163 483 HA PHE 68 HA PHE 68 -5.248 -8.030 -2.372 484 1HB PHE 68 HB2 PHE 68 -4.505 -7.297 0.454 485 2HB PHE 68 HB1 PHE 68 -4.060 -6.280 -0.910 486 HD1 PHE 68 HD1 PHE 68 -7.194 -8.013 -1.283 487 HD2 PHE 68 HD2 PHE 68 -5.360 -4.519 0.315 488 HE1 PHE 68 HE1 PHE 68 -9.390 -6.914 -1.174 489 HE2 PHE 68 HE2 PHE 68 -7.555 -3.415 0.426 490 HZ PHE 68 HZ PHE 68 -9.574 -4.612 -0.319 491 H THR 69 HN THR 69 -3.627 -8.364 -3.744 492 HA THR 69 HA THR 69 -1.207 -9.689 -2.901 493 HB THR 69 HB THR 69 -1.800 -8.494 -5.613 494 HG1 THR 69 HG1 THR 69 -3.172 -10.030 -5.915 495 1HG2 THR 69 HG21 THR 69 -0.281 -10.069 -6.499 496 2HG2 THR 69 HG22 THR 69 -0.135 -10.902 -4.951 497 3HG2 THR 69 HG23 THR 69 0.532 -9.281 -5.147 498 H ILE 70 HN ILE 70 0.896 -8.892 -3.155 499 HA ILE 70 HA ILE 70 1.259 -6.018 -3.471 500 HB ILE 70 HB ILE 70 0.725 -6.380 -1.109 501 1HG1 ILE 70 HG12 ILE 70 2.239 -4.549 -1.828 502 2HG1 ILE 70 HG11 ILE 70 2.537 -5.092 -0.182 503 1HG2 ILE 70 HG21 ILE 70 3.226 -8.052 -1.052 504 2HG2 ILE 70 HG22 ILE 70 1.571 -8.652 -0.910 505 3HG2 ILE 70 HG23 ILE 70 2.244 -7.603 0.344 506 1HD1 ILE 70 HD11 ILE 70 4.671 -5.111 -0.806 507 2HD1 ILE 70 HD12 ILE 70 4.266 -5.131 -2.522 508 3HD1 ILE 70 HD13 ILE 70 4.269 -6.633 -1.600 509 H SER 71 HN SER 71 3.177 -5.503 -4.329 510 HA SER 71 HA SER 71 5.494 -7.179 -4.119 511 1HB SER 71 HB2 SER 71 4.357 -6.843 -6.896 512 2HB SER 71 HB1 SER 71 5.707 -7.859 -6.391 513 HG SER 71 HG SER 71 4.280 -9.219 -5.361 514 H ARG 72 HN ARG 72 6.906 -6.255 -6.341 515 HA ARG 72 HA ARG 72 6.769 -3.333 -6.188 516 1HB ARG 72 HB2 ARG 72 9.357 -3.412 -6.015 517 2HB ARG 72 HB1 ARG 72 8.399 -3.636 -4.559 518 1HG ARG 72 HG2 ARG 72 9.274 -5.640 -4.207 519 2HG ARG 72 HG1 ARG 72 8.879 -6.164 -5.845 520 1HD ARG 72 HD2 ARG 72 11.275 -6.306 -5.441 521 2HD ARG 72 HD1 ARG 72 10.917 -5.102 -6.676 522 HE ARG 72 HE ARG 72 11.743 -3.474 -5.290 523 1HH1 ARG 72 HH11 ARG 72 11.232 -6.392 -3.444 524 2HH1 ARG 72 HH12 ARG 72 12.044 -5.793 -2.037 525 1HH2 ARG 72 HH21 ARG 72 12.813 -2.685 -3.440 526 2HH2 ARG 72 HH22 ARG 72 12.940 -3.688 -2.034 527 H ASP 73 HN ASP 73 8.378 -2.331 -7.783 528 HA ASP 73 HA ASP 73 7.911 -3.545 -10.346 529 1HB ASP 73 HB2 ASP 73 8.174 -0.959 -9.526 530 2HB ASP 73 HB1 ASP 73 9.759 -1.251 -10.225 531 H ASN 74 HN ASN 74 10.364 -3.801 -8.035 532 HA ASN 74 HA ASN 74 12.525 -4.540 -8.055 533 1HB ASN 74 HB2 ASN 74 12.852 -6.622 -9.310 534 2HB ASN 74 HB1 ASN 74 11.289 -6.608 -8.499 535 1HD2 ASN 74 HD21 ASN 74 12.935 -6.385 -11.561 536 2HD2 ASN 74 HD22 ASN 74 11.553 -6.692 -12.550 537 H ALA 75 HN ALA 75 12.254 -2.203 -9.550 538 HA ALA 75 HA ALA 75 14.457 -2.552 -11.433 539 1HB ALA 75 HB1 ALA 75 13.393 -1.799 -13.274 540 2HB ALA 75 HB2 ALA 75 12.370 -0.691 -12.360 541 3HB ALA 75 HB3 ALA 75 11.963 -2.405 -12.438 542 H LYS 76 HN LYS 76 12.281 -0.195 -9.898 543 HA LYS 76 HA LYS 76 14.597 1.599 -9.572 544 1HB LYS 76 HB2 LYS 76 11.662 2.254 -9.854 545 2HB LYS 76 HB1 LYS 76 12.887 3.432 -9.406 546 1HG LYS 76 HG2 LYS 76 14.058 2.766 -11.581 547 2HG LYS 76 HG1 LYS 76 12.527 2.004 -12.014 548 1HD LYS 76 HD2 LYS 76 12.707 4.872 -11.128 549 2HD LYS 76 HD1 LYS 76 12.889 4.391 -12.816 550 1HE LYS 76 HE2 LYS 76 10.540 3.299 -11.409 551 2HE LYS 76 HE1 LYS 76 10.531 5.041 -11.680 552 1HZ LYS 76 HZ1 LYS 76 10.902 2.970 -13.777 553 2HZ LYS 76 HZ2 LYS 76 10.883 4.641 -14.035 554 3HZ LYS 76 HZ3 LYS 76 9.485 3.853 -13.503 555 H LYS 77 HN LYS 77 11.388 1.364 -8.053 556 HA LYS 77 HA LYS 77 11.979 0.316 -5.637 557 1HB LYS 77 HB2 LYS 77 12.213 2.425 -4.208 558 2HB LYS 77 HB1 LYS 77 13.638 1.904 -5.094 559 1HG LYS 77 HG2 LYS 77 12.529 3.586 -6.893 560 2HG LYS 77 HG1 LYS 77 12.009 4.332 -5.382 561 1HD LYS 77 HD2 LYS 77 14.035 5.200 -5.093 562 2HD LYS 77 HD1 LYS 77 14.747 3.586 -5.122 563 1HE LYS 77 HE2 LYS 77 15.586 3.905 -7.162 564 2HE LYS 77 HE1 LYS 77 14.041 4.486 -7.781 565 1HZ LYS 77 HZ1 LYS 77 16.326 5.986 -6.789 566 2HZ LYS 77 HZ2 LYS 77 14.803 6.592 -6.368 567 3HZ LYS 77 HZ3 LYS 77 15.209 6.384 -7.997 568 H THR 78 HN THR 78 9.801 0.426 -7.292 569 HA THR 78 HA THR 78 7.847 2.049 -5.805 570 HB THR 78 HB THR 78 7.607 0.841 -8.565 571 HG1 THR 78 HG1 THR 78 8.849 2.531 -8.922 572 1HG2 THR 78 HG21 THR 78 5.427 1.074 -7.523 573 2HG2 THR 78 HG22 THR 78 5.640 2.244 -8.826 574 3HG2 THR 78 HG23 THR 78 5.780 2.760 -7.145 575 H VAL 79 HN VAL 79 5.978 1.131 -5.019 576 HA VAL 79 HA VAL 79 5.989 -1.809 -4.865 577 HB VAL 79 HB VAL 79 4.676 -1.591 -2.819 578 1HG1 VAL 79 HG11 VAL 79 6.479 -1.249 -1.481 579 2HG1 VAL 79 HG12 VAL 79 6.944 0.242 -2.300 580 3HG1 VAL 79 HG13 VAL 79 7.311 -1.319 -3.035 581 1HG2 VAL 79 HG21 VAL 79 5.128 1.213 -2.305 582 2HG2 VAL 79 HG22 VAL 79 3.634 0.281 -2.210 583 3HG2 VAL 79 HG23 VAL 79 4.138 0.985 -3.746 584 H TYR 80 HN TYR 80 4.149 -2.966 -5.330 585 HA TYR 80 HA TYR 80 1.801 -1.454 -6.227 586 1HB TYR 80 HB2 TYR 80 2.876 -3.822 -7.743 587 2HB TYR 80 HB1 TYR 80 1.607 -2.711 -8.239 588 HD1 TYR 80 HD1 TYR 80 2.154 -1.114 -9.789 589 HD2 TYR 80 HD2 TYR 80 5.194 -2.619 -7.226 590 HE1 TYR 80 HE1 TYR 80 3.820 0.255 -10.969 591 HE2 TYR 80 HE2 TYR 80 6.861 -1.254 -8.390 592 HH TYR 80 HH TYR 80 6.196 0.335 -11.350 593 H LEU 81 HN LEU 81 -0.074 -2.229 -5.439 594 HA LEU 81 HA LEU 81 -0.108 -5.005 -4.489 595 1HB LEU 81 HB2 LEU 81 -0.987 -4.475 -2.450 596 2HB LEU 81 HB1 LEU 81 0.028 -3.074 -2.718 597 HG LEU 81 HG LEU 81 -2.935 -3.121 -3.296 598 1HD1 LEU 81 HD11 LEU 81 -3.411 -2.513 -1.188 599 2HD1 LEU 81 HD12 LEU 81 -1.926 -1.580 -1.009 600 3HD1 LEU 81 HD13 LEU 81 -1.895 -3.332 -0.811 601 1HD2 LEU 81 HD21 LEU 81 -2.302 -1.302 -4.460 602 2HD2 LEU 81 HD22 LEU 81 -0.765 -1.160 -3.608 603 3HD2 LEU 81 HD23 LEU 81 -2.243 -0.546 -2.868 604 H GLN 82 HN GLN 82 -1.669 -6.188 -5.298 605 HA GLN 82 HA GLN 82 -3.798 -4.893 -6.810 606 1HB GLN 82 HB2 GLN 82 -2.141 -6.934 -7.452 607 2HB GLN 82 HB1 GLN 82 -3.522 -7.818 -6.837 608 1HG GLN 82 HG2 GLN 82 -4.458 -5.782 -8.590 609 2HG GLN 82 HG1 GLN 82 -3.160 -6.664 -9.389 610 1HE2 GLN 82 HE21 GLN 82 -3.611 -9.179 -8.189 611 2HE2 GLN 82 HE22 GLN 82 -5.098 -9.805 -8.808 612 H MET 83 HN MET 83 -5.331 -4.340 -5.312 613 HA MET 83 HA MET 83 -6.151 -6.145 -3.238 614 1HB MET 83 HB2 MET 83 -7.596 -3.657 -4.130 615 2HB MET 83 HB1 MET 83 -7.647 -4.429 -2.552 616 1HG MET 83 HG2 MET 83 -5.787 -3.433 -1.853 617 2HG MET 83 HG1 MET 83 -4.981 -3.601 -3.408 618 1HE MET 83 HE1 MET 83 -5.999 -1.477 -0.890 619 2HE MET 83 HE2 MET 83 -6.185 0.133 -1.586 620 3HE MET 83 HE3 MET 83 -4.632 -0.696 -1.685 621 H ASN 84 HN ASN 84 -6.865 -7.996 -4.340 622 HA ASN 84 HA ASN 84 -9.072 -7.768 -6.195 623 1HB ASN 84 HB2 ASN 84 -8.406 -10.471 -5.317 624 2HB ASN 84 HB1 ASN 84 -8.447 -9.787 -6.930 625 1HD2 ASN 84 HD21 ASN 84 -6.518 -11.424 -5.066 626 2HD2 ASN 84 HD22 ASN 84 -4.979 -10.753 -5.470 627 H SER 85 HN SER 85 -10.811 -9.589 -5.828 628 HA SER 85 HA SER 85 -12.808 -9.866 -4.716 629 1HB SER 85 HB2 SER 85 -10.968 -11.586 -3.891 630 2HB SER 85 HB1 SER 85 -11.234 -10.768 -2.351 631 HG SER 85 HG SER 85 -13.334 -11.816 -3.937 632 H LEU 86 HN LEU 86 -12.258 -7.235 -4.526 633 HA LEU 86 HA LEU 86 -12.110 -6.262 -1.861 634 1HB LEU 86 HB2 LEU 86 -12.057 -5.172 -4.454 635 2HB LEU 86 HB1 LEU 86 -13.408 -4.409 -3.638 636 HG LEU 86 HG LEU 86 -11.432 -4.237 -1.743 637 1HD1 LEU 86 HD11 LEU 86 -10.201 -4.178 -4.466 638 2HD1 LEU 86 HD12 LEU 86 -9.597 -4.908 -2.978 639 3HD1 LEU 86 HD13 LEU 86 -9.564 -3.156 -3.178 640 1HD2 LEU 86 HD21 LEU 86 -11.294 -1.862 -2.433 641 2HD2 LEU 86 HD22 LEU 86 -12.950 -2.458 -2.307 642 3HD2 LEU 86 HD23 LEU 86 -12.200 -2.267 -3.891 643 H LYS 87 HN LYS 87 -13.820 -4.864 -0.905 644 HA LYS 87 HA LYS 87 -16.533 -5.861 -1.434 645 1HB LYS 87 HB2 LYS 87 -15.817 -5.348 1.402 646 2HB LYS 87 HB1 LYS 87 -16.916 -6.536 0.717 647 1HG LYS 87 HG2 LYS 87 -13.926 -6.771 0.525 648 2HG LYS 87 HG1 LYS 87 -14.872 -7.453 1.849 649 1HD LYS 87 HD2 LYS 87 -15.989 -8.151 -0.731 650 2HD LYS 87 HD1 LYS 87 -14.305 -8.659 -0.593 651 1HE LYS 87 HE2 LYS 87 -15.335 -9.385 1.838 652 2HE LYS 87 HE1 LYS 87 -16.696 -9.672 0.755 653 1HZ LYS 87 HZ1 LYS 87 -15.243 -11.617 1.007 654 2HZ LYS 87 HZ2 LYS 87 -13.957 -10.742 0.342 655 3HZ LYS 87 HZ3 LYS 87 -15.322 -11.083 -0.597 656 HA PRO 88 HA PRO 88 -17.770 -1.665 -0.785 657 1HB PRO 88 HB2 PRO 88 -20.036 -1.746 0.645 658 2HB PRO 88 HB1 PRO 88 -19.939 -2.435 -0.980 659 1HG PRO 88 HG2 PRO 88 -19.874 -3.808 1.668 660 2HG PRO 88 HG1 PRO 88 -20.655 -4.313 0.161 661 1HD PRO 88 HD2 PRO 88 -18.218 -5.248 1.086 662 2HD PRO 88 HD1 PRO 88 -18.763 -5.331 -0.599 663 H GLU 89 HN GLU 89 -16.325 -3.170 1.677 664 HA GLU 89 HA GLU 89 -16.746 -1.008 3.611 665 1HB GLU 89 HB2 GLU 89 -17.262 -3.130 4.570 666 2HB GLU 89 HB1 GLU 89 -15.798 -3.853 3.919 667 1HG GLU 89 HG2 GLU 89 -15.382 -3.550 6.188 668 2HG GLU 89 HG1 GLU 89 -14.525 -2.243 5.382 669 H ASP 90 HN ASP 90 -14.572 -2.212 1.311 670 HA ASP 90 HA ASP 90 -12.132 -1.470 2.591 671 1HB ASP 90 HB2 ASP 90 -12.604 -1.840 -0.368 672 2HB ASP 90 HB1 ASP 90 -11.092 -2.005 0.511 673 H THR 91 HN THR 91 -14.582 0.194 0.837 674 HA THR 91 HA THR 91 -13.266 2.269 -0.385 675 HB THR 91 HB THR 91 -15.862 2.289 1.147 676 HG1 THR 91 HG1 THR 91 -16.416 1.077 -0.452 677 1HG2 THR 91 HG21 THR 91 -15.950 4.475 0.753 678 2HG2 THR 91 HG22 THR 91 -16.140 4.046 -0.948 679 3HG2 THR 91 HG23 THR 91 -14.541 4.424 -0.306 680 H ALA 92 HN ALA 92 -11.634 3.410 0.486 681 HA ALA 92 HA ALA 92 -12.111 5.205 2.633 682 1HB ALA 92 HB1 ALA 92 -10.992 2.600 3.297 683 2HB ALA 92 HB2 ALA 92 -11.673 3.842 4.347 684 3HB ALA 92 HB3 ALA 92 -9.987 3.944 3.838 685 H VAL 93 HN VAL 93 -9.655 5.873 3.484 686 HA VAL 93 HA VAL 93 -8.394 6.841 1.046 687 HB VAL 93 HB VAL 93 -7.914 7.522 3.950 688 1HG1 VAL 93 HG11 VAL 93 -6.452 8.243 1.488 689 2HG1 VAL 93 HG12 VAL 93 -5.893 8.163 3.159 690 3HG1 VAL 93 HG13 VAL 93 -6.801 9.567 2.599 691 1HG2 VAL 93 HG21 VAL 93 -8.933 9.524 2.036 692 2HG2 VAL 93 HG22 VAL 93 -9.347 9.255 3.729 693 3HG2 VAL 93 HG23 VAL 93 -10.044 8.228 2.477 694 H TYR 94 HN TYR 94 -7.018 5.398 0.164 695 HA TYR 94 HA TYR 94 -5.380 3.701 1.836 696 1HB TYR 94 HB2 TYR 94 -6.127 3.853 -1.038 697 2HB TYR 94 HB1 TYR 94 -4.610 3.077 -0.631 698 HD1 TYR 94 HD1 TYR 94 -8.117 2.665 -0.924 699 HD2 TYR 94 HD2 TYR 94 -4.708 1.189 1.147 700 HE1 TYR 94 HE1 TYR 94 -9.346 0.606 -0.386 701 HE2 TYR 94 HE2 TYR 94 -5.928 -0.876 1.690 702 HH TYR 94 HH TYR 94 -8.732 -1.810 0.182 703 H THR 95 HN THR 95 -3.619 4.638 2.682 704 HA THR 95 HA THR 95 -2.000 6.380 0.937 705 HB THR 95 HB THR 95 -2.129 6.323 3.959 706 HG1 THR 95 HG1 THR 95 -3.026 8.328 2.172 707 1HG2 THR 95 HG21 THR 95 -0.350 7.730 2.079 708 2HG2 THR 95 HG22 THR 95 -0.083 7.235 3.750 709 3HG2 THR 95 HG23 THR 95 -1.022 8.686 3.400 710 H CYS 96 HN CYS 96 0.107 5.903 0.584 711 HA CYS 96 HA CYS 96 1.079 3.367 1.689 712 1HB CYS 96 HB2 CYS 96 2.778 3.521 -0.159 713 2HB CYS 96 HB1 CYS 96 1.109 3.397 -0.705 714 H GLY 97 HN GLY 97 3.388 3.210 2.259 715 1HA GLY 97 HA2 GLY 97 4.787 5.670 2.855 716 2HA GLY 97 HA1 GLY 97 4.188 4.825 4.273 717 H ALA 98 HN ALA 98 6.593 4.930 4.657 718 HA ALA 98 HA ALA 98 7.764 2.380 3.838 719 1HB ALA 98 HB1 ALA 98 8.763 3.833 2.254 720 2HB ALA 98 HB2 ALA 98 9.974 3.532 3.500 721 3HB ALA 98 HB3 ALA 98 9.088 5.057 3.481 722 H GLY 99 HN GLY 99 9.865 2.029 5.111 723 1HA GLY 99 HA2 GLY 99 9.701 3.248 7.779 724 2HA GLY 99 HA1 GLY 99 9.571 1.501 7.646 725 H GLU 100 HN GLU 100 11.485 1.976 9.205 726 HA GLU 100 HA GLU 100 13.868 1.318 7.770 727 1HB GLU 100 HB2 GLU 100 13.991 3.716 7.514 728 2HB GLU 100 HB1 GLU 100 13.686 3.956 9.229 729 1HG GLU 100 HG2 GLU 100 15.800 2.790 9.720 730 2HG GLU 100 HG1 GLU 100 16.117 2.705 7.987 731 H GLY 101 HN GLY 101 15.029 -0.049 8.978 732 1HA GLY 101 HA2 GLY 101 15.784 -1.240 10.768 733 2HA GLY 101 HA1 GLY 101 15.556 0.221 11.714 734 H GLY 102 HN GLY 102 12.735 -0.905 10.153 735 1HA GLY 102 HA2 GLY 102 11.217 -2.595 11.004 736 2HA GLY 102 HA1 GLY 102 11.890 -2.314 12.602 737 H THR 103 HN THR 103 11.773 0.697 11.700 738 HA THR 103 HA THR 103 9.127 1.124 12.827 739 HB THR 103 HB THR 103 11.143 3.213 12.082 740 HG1 THR 103 HG1 THR 103 12.397 2.525 13.590 741 1HG2 THR 103 HG21 THR 103 9.471 4.490 12.858 742 2HG2 THR 103 HG22 THR 103 10.112 4.010 14.430 743 3HG2 THR 103 HG23 THR 103 8.727 3.159 13.746 744 H TRP 104 HN TRP 104 8.062 3.222 11.868 745 HA TRP 104 HA TRP 104 8.264 3.372 8.975 746 1HB TRP 104 HB2 TRP 104 5.678 2.639 10.360 747 2HB TRP 104 HB1 TRP 104 5.858 2.989 8.645 748 HD1 TRP 104 HD1 TRP 104 6.805 0.330 11.257 749 HE1 TRP 104 HE1 TRP 104 7.294 -1.877 10.026 750 HE3 TRP 104 HE3 TRP 104 6.519 2.008 6.434 751 HZ2 TRP 104 HZ2 TRP 104 7.530 -2.786 7.364 752 HZ3 TRP 104 HZ3 TRP 104 6.895 0.405 4.604 753 HH2 TRP 104 HH2 TRP 104 7.390 -1.942 5.061 754 H ASP 105 HN ASP 105 8.766 5.495 8.959 755 HA ASP 105 HA ASP 105 6.840 7.335 10.204 756 1HB ASP 105 HB2 ASP 105 8.933 7.488 11.374 757 2HB ASP 105 HB1 ASP 105 9.805 7.654 9.861 758 H SER 106 HN SER 106 7.902 6.178 7.293 759 HA SER 106 HA SER 106 7.656 8.726 5.886 760 1HB SER 106 HB2 SER 106 9.040 6.242 5.386 761 2HB SER 106 HB1 SER 106 8.011 6.652 4.016 762 HG SER 106 HG SER 106 9.705 7.845 3.546 763 H TRP 107 HN TRP 107 5.981 9.243 4.567 764 HA TRP 107 HA TRP 107 3.940 7.232 3.991 765 1HB TRP 107 HB2 TRP 107 3.243 9.909 5.206 766 2HB TRP 107 HB1 TRP 107 2.130 8.610 4.794 767 HD1 TRP 107 HD1 TRP 107 4.355 9.839 7.559 768 HE1 TRP 107 HE1 TRP 107 4.193 8.244 9.572 769 HE3 TRP 107 HE3 TRP 107 1.803 6.000 5.349 770 HZ2 TRP 107 HZ2 TRP 107 3.125 5.694 10.147 771 HZ3 TRP 107 HZ3 TRP 107 1.251 4.019 6.700 772 HH2 TRP 107 HH2 TRP 107 1.899 3.870 9.049 773 H GLY 108 HN GLY 108 2.261 8.114 2.478 774 1HA GLY 108 HA2 GLY 108 3.600 9.848 0.503 775 2HA GLY 108 HA1 GLY 108 2.405 8.619 0.117 776 H GLN 109 HN GLN 109 1.236 10.215 -1.065 777 HA GLN 109 HA GLN 109 0.101 12.443 0.406 778 1HB GLN 109 HB2 GLN 109 0.870 12.492 -2.042 779 2HB GLN 109 HB1 GLN 109 -0.624 11.636 -2.397 780 1HG GLN 109 HG2 GLN 109 -0.759 14.142 -0.804 781 2HG GLN 109 HG1 GLN 109 -0.476 14.250 -2.541 782 1HE2 GLN 109 HE21 GLN 109 -2.802 14.623 -0.443 783 2HE2 GLN 109 HE22 GLN 109 -4.161 13.995 -1.306 784 H GLY 110 HN GLY 110 -0.907 9.352 -0.939 785 1HA GLY 110 HA2 GLY 110 -2.646 8.109 0.191 786 2HA GLY 110 HA1 GLY 110 -3.440 9.635 0.544 787 H THR 111 HN THR 111 -4.577 7.293 -0.709 788 HA THR 111 HA THR 111 -5.621 8.596 -3.095 789 HB THR 111 HB THR 111 -3.942 7.295 -4.135 790 HG1 THR 111 HG1 THR 111 -6.238 5.639 -4.188 791 1HG2 THR 111 HG21 THR 111 -3.740 4.838 -3.755 792 2HG2 THR 111 HG22 THR 111 -4.766 5.037 -2.334 793 3HG2 THR 111 HG23 THR 111 -3.201 5.845 -2.411 794 H GLN 112 HN GLN 112 -7.706 8.725 -2.556 795 HA GLN 112 HA GLN 112 -9.011 6.878 -0.851 796 1HB GLN 112 HB2 GLN 112 -9.985 8.954 -0.749 797 2HB GLN 112 HB1 GLN 112 -9.828 9.240 -2.466 798 1HG GLN 112 HG2 GLN 112 -12.061 8.985 -2.396 799 2HG GLN 112 HG1 GLN 112 -11.645 7.281 -2.538 800 1HE2 GLN 112 HE21 GLN 112 -10.652 6.958 0.092 801 2HE2 GLN 112 HE22 GLN 112 -11.991 7.036 1.170 802 H VAL 113 HN VAL 113 -10.411 5.245 -1.266 803 HA VAL 113 HA VAL 113 -10.665 4.389 -4.074 804 HB VAL 113 HB VAL 113 -10.055 2.817 -1.596 805 1HG1 VAL 113 HG11 VAL 113 -11.448 1.827 -4.064 806 2HG1 VAL 113 HG12 VAL 113 -11.844 1.527 -2.372 807 3HG1 VAL 113 HG13 VAL 113 -10.432 0.759 -3.097 808 1HG2 VAL 113 HG21 VAL 113 -8.198 3.587 -2.976 809 2HG2 VAL 113 HG22 VAL 113 -8.901 2.787 -4.382 810 3HG2 VAL 113 HG23 VAL 113 -8.329 1.828 -3.017 811 H THR 114 HN THR 114 -12.699 4.177 -4.773 812 HA THR 114 HA THR 114 -14.861 4.238 -2.800 813 HB THR 114 HB THR 114 -14.912 4.820 -5.765 814 HG1 THR 114 HG1 THR 114 -14.851 6.483 -3.482 815 1HG2 THR 114 HG21 THR 114 -17.058 4.623 -3.760 816 2HG2 THR 114 HG22 THR 114 -17.108 4.413 -5.511 817 3HG2 THR 114 HG23 THR 114 -17.099 6.034 -4.817 818 H VAL 115 HN VAL 115 -16.266 2.599 -2.569 819 HA VAL 115 HA VAL 115 -16.532 0.569 -4.623 820 HB VAL 115 HB VAL 115 -16.077 -0.541 -1.907 821 1HG1 VAL 115 HG11 VAL 115 -16.693 -2.102 -3.544 822 2HG1 VAL 115 HG12 VAL 115 -14.951 -2.306 -3.360 823 3HG1 VAL 115 HG13 VAL 115 -15.593 -1.413 -4.738 824 1HG2 VAL 115 HG21 VAL 115 -13.757 0.212 -3.683 825 2HG2 VAL 115 HG22 VAL 115 -13.680 -0.628 -2.134 826 3HG2 VAL 115 HG23 VAL 115 -14.199 1.056 -2.199 827 H SER 116 HN SER 116 -18.265 -0.974 -4.082 828 HA SER 116 HA SER 116 -20.033 -0.718 -1.957 829 1HB SER 116 HB2 SER 116 -20.583 1.501 -2.627 830 2HB SER 116 HB1 SER 116 -20.711 1.031 -4.322 831 HG SER 116 HG SER 116 -22.448 0.336 -2.194 832 H SER 117 HN SER 117 -20.953 -0.677 -5.371 833 HA SER 117 HA SER 117 -20.985 -3.457 -5.769 834 1HB SER 117 HB2 SER 117 -22.742 -3.706 -4.218 835 2HB SER 117 HB1 SER 117 -23.545 -2.232 -4.758 836 HG SER 117 HG SER 117 -24.476 -3.307 -6.320 Start of MODEL 13 1 1H GLN 1 HT1 GLN 1 14.035 14.968 0.784 2 2H GLN 1 HT2 GLN 1 13.291 15.482 -0.675 3 3H GLN 1 HT3 GLN 1 14.684 16.294 -0.087 4 HA GLN 1 HA GLN 1 15.433 14.974 -1.793 5 1HB GLN 1 HB2 GLN 1 16.168 14.571 0.896 6 2HB GLN 1 HB1 GLN 1 16.155 12.973 0.162 7 1HG GLN 1 HG2 GLN 1 17.523 15.203 -1.258 8 2HG GLN 1 HG1 GLN 1 18.307 14.458 0.134 9 1HE2 GLN 1 HE21 GLN 1 19.947 13.797 -1.367 10 2HE2 GLN 1 HE22 GLN 1 19.713 12.388 -2.337 11 H VAL 2 HN VAL 2 13.294 13.159 0.356 12 HA VAL 2 HA VAL 2 12.912 11.177 -1.788 13 HB VAL 2 HB VAL 2 11.767 10.086 0.492 14 1HG1 VAL 2 HG11 VAL 2 13.124 8.347 0.020 15 2HG1 VAL 2 HG12 VAL 2 14.569 9.355 -0.055 16 3HG1 VAL 2 HG13 VAL 2 13.467 9.292 -1.430 17 1HG2 VAL 2 HG21 VAL 2 12.845 11.793 1.883 18 2HG2 VAL 2 HG22 VAL 2 14.418 11.309 1.248 19 3HG2 VAL 2 HG23 VAL 2 13.475 10.180 2.221 20 H GLN 3 HN GLN 3 10.757 10.357 -2.107 21 HA GLN 3 HA GLN 3 8.569 11.907 -0.976 22 1HB GLN 3 HB2 GLN 3 8.736 13.297 -2.778 23 2HB GLN 3 HB1 GLN 3 9.497 12.084 -3.790 24 1HG GLN 3 HG2 GLN 3 7.469 12.420 -4.824 25 2HG GLN 3 HG1 GLN 3 7.150 10.996 -3.841 26 1HE2 GLN 3 HE21 GLN 3 7.066 14.532 -3.537 27 2HE2 GLN 3 HE22 GLN 3 5.553 14.597 -2.706 28 H LEU 4 HN LEU 4 6.460 10.991 -1.505 29 HA LEU 4 HA LEU 4 6.500 8.225 -2.452 30 1HB LEU 4 HB2 LEU 4 5.502 9.101 0.255 31 2HB LEU 4 HB1 LEU 4 5.060 7.572 -0.481 32 HG LEU 4 HG LEU 4 7.696 7.293 -0.638 33 1HD1 LEU 4 HD11 LEU 4 7.265 9.497 1.275 34 2HD1 LEU 4 HD12 LEU 4 8.671 9.108 0.284 35 3HD1 LEU 4 HD13 LEU 4 8.377 8.226 1.782 36 1HD2 LEU 4 HD21 LEU 4 5.714 6.662 1.458 37 2HD2 LEU 4 HD22 LEU 4 7.410 6.450 1.891 38 3HD2 LEU 4 HD23 LEU 4 6.740 5.592 0.504 39 H GLN 5 HN GLN 5 5.164 8.448 -4.147 40 HA GLN 5 HA GLN 5 2.534 9.687 -3.660 41 1HB GLN 5 HB2 GLN 5 4.485 10.107 -5.787 42 2HB GLN 5 HB1 GLN 5 2.892 9.701 -6.412 43 1HG GLN 5 HG2 GLN 5 2.695 11.646 -4.301 44 2HG GLN 5 HG1 GLN 5 3.797 12.193 -5.563 45 1HE2 GLN 5 HE21 GLN 5 3.007 12.725 -7.550 46 2HE2 GLN 5 HE22 GLN 5 1.321 12.801 -7.919 47 H GLU 6 HN GLU 6 0.828 8.861 -5.210 48 HA GLU 6 HA GLU 6 1.137 5.947 -5.538 49 1HB GLU 6 HB2 GLU 6 -1.583 7.120 -5.360 50 2HB GLU 6 HB1 GLU 6 -0.978 5.591 -4.742 51 1HG GLU 6 HG2 GLU 6 -1.360 6.713 -2.795 52 2HG GLU 6 HG1 GLU 6 0.329 7.127 -3.076 53 H SER 7 HN SER 7 -0.303 5.000 -7.232 54 HA SER 7 HA SER 7 -1.231 6.697 -9.347 55 1HB SER 7 HB2 SER 7 1.425 5.347 -9.554 56 2HB SER 7 HB1 SER 7 0.404 5.402 -10.990 57 HG SER 7 HG SER 7 0.251 7.748 -10.473 58 H GLY 8 HN GLY 8 -3.060 5.707 -9.882 59 1HA GLY 8 HA2 GLY 8 -3.862 3.760 -11.232 60 2HA GLY 8 HA1 GLY 8 -3.045 2.755 -10.046 61 H GLY 9 HN GLY 9 -3.849 4.287 -7.745 62 1HA GLY 9 HA2 GLY 9 -6.134 2.996 -6.977 63 2HA GLY 9 HA1 GLY 9 -5.579 4.497 -6.262 64 H GLY 10 HN GLY 10 -8.258 3.321 -7.041 65 1HA GLY 10 HA2 GLY 10 -9.546 5.748 -7.659 66 2HA GLY 10 HA1 GLY 10 -9.417 4.781 -9.121 67 H LEU 11 HN LEU 11 -11.820 5.047 -8.831 68 HA LEU 11 HA LEU 11 -13.173 3.633 -6.824 69 1HB LEU 11 HB2 LEU 11 -14.205 4.366 -9.549 70 2HB LEU 11 HB1 LEU 11 -15.159 4.031 -8.113 71 HG LEU 11 HG LEU 11 -13.468 6.060 -7.314 72 1HD1 LEU 11 HD11 LEU 11 -14.049 6.276 -10.205 73 2HD1 LEU 11 HD12 LEU 11 -12.701 6.915 -9.265 74 3HD1 LEU 11 HD13 LEU 11 -14.261 7.737 -9.241 75 1HD2 LEU 11 HD21 LEU 11 -16.002 5.589 -6.998 76 2HD2 LEU 11 HD22 LEU 11 -16.194 6.641 -8.401 77 3HD2 LEU 11 HD23 LEU 11 -15.417 7.252 -6.940 78 H VAL 12 HN VAL 12 -14.460 1.706 -7.052 79 HA VAL 12 HA VAL 12 -14.228 -0.018 -9.295 80 HB VAL 12 HB VAL 12 -11.960 -0.330 -8.466 81 1HG1 VAL 12 HG11 VAL 12 -12.996 -1.577 -5.959 82 2HG1 VAL 12 HG12 VAL 12 -12.745 0.167 -6.034 83 3HG1 VAL 12 HG13 VAL 12 -11.393 -0.932 -6.311 84 1HG2 VAL 12 HG21 VAL 12 -12.049 -2.809 -8.119 85 2HG2 VAL 12 HG22 VAL 12 -12.937 -2.229 -9.527 86 3HG2 VAL 12 HG23 VAL 12 -13.806 -2.674 -8.059 87 H GLN 13 HN GLN 13 -16.096 -1.077 -9.292 88 HA GLN 13 HA GLN 13 -17.915 -1.103 -7.201 89 1HB GLN 13 HB2 GLN 13 -17.834 -2.023 -9.842 90 2HB GLN 13 HB1 GLN 13 -18.311 -3.399 -8.864 91 1HG GLN 13 HG2 GLN 13 -19.668 -0.730 -9.071 92 2HG GLN 13 HG1 GLN 13 -20.289 -2.301 -9.571 93 1HE2 GLN 13 HE21 GLN 13 -20.201 -0.009 -7.131 94 2HE2 GLN 13 HE22 GLN 13 -20.897 -0.951 -5.862 95 H ALA 14 HN ALA 14 -18.527 -2.595 -5.659 96 HA ALA 14 HA ALA 14 -16.599 -4.007 -4.315 97 1HB ALA 14 HB1 ALA 14 -19.533 -3.907 -4.262 98 2HB ALA 14 HB2 ALA 14 -18.366 -3.796 -2.944 99 3HB ALA 14 HB3 ALA 14 -18.821 -5.373 -3.587 100 H GLY 15 HN GLY 15 -15.536 -5.842 -4.667 101 1HA GLY 15 HA2 GLY 15 -15.406 -8.156 -5.172 102 2HA GLY 15 HA1 GLY 15 -16.836 -7.990 -6.179 103 H GLY 16 HN GLY 16 -14.436 -5.569 -6.589 104 1HA GLY 16 HA2 GLY 16 -13.690 -6.818 -9.152 105 2HA GLY 16 HA1 GLY 16 -13.680 -5.091 -8.832 106 H SER 17 HN SER 17 -11.489 -5.349 -9.804 107 HA SER 17 HA SER 17 -9.547 -5.958 -7.694 108 1HB SER 17 HB2 SER 17 -9.022 -7.722 -9.048 109 2HB SER 17 HB1 SER 17 -9.628 -6.921 -10.493 110 HG SER 17 HG SER 17 -7.671 -6.304 -10.898 111 H LEU 18 HN LEU 18 -7.971 -4.470 -7.369 112 HA LEU 18 HA LEU 18 -7.563 -2.370 -9.356 113 1HB LEU 18 HB2 LEU 18 -9.266 -1.463 -7.892 114 2HB LEU 18 HB1 LEU 18 -8.319 -1.879 -6.476 115 HG LEU 18 HG LEU 18 -6.560 -0.288 -7.772 116 1HD1 LEU 18 HD11 LEU 18 -8.608 0.067 -9.409 117 2HD1 LEU 18 HD12 LEU 18 -7.504 1.380 -9.000 118 3HD1 LEU 18 HD13 LEU 18 -9.063 1.252 -8.185 119 1HD2 LEU 18 HD21 LEU 18 -7.010 0.045 -5.492 120 2HD2 LEU 18 HD22 LEU 18 -8.716 0.377 -5.789 121 3HD2 LEU 18 HD23 LEU 18 -7.492 1.551 -6.274 122 H ARG 19 HN ARG 19 -5.470 -1.839 -9.555 123 HA ARG 19 HA ARG 19 -3.615 -2.836 -7.497 124 1HB ARG 19 HB2 ARG 19 -3.353 -3.949 -9.651 125 2HB ARG 19 HB1 ARG 19 -3.156 -2.397 -10.448 126 1HG ARG 19 HG2 ARG 19 -1.289 -3.014 -8.240 127 2HG ARG 19 HG1 ARG 19 -1.102 -3.928 -9.738 128 1HD ARG 19 HD2 ARG 19 -1.478 -1.060 -10.152 129 2HD ARG 19 HD1 ARG 19 -0.033 -1.455 -9.226 130 HE ARG 19 HE ARG 19 0.823 -2.608 -11.078 131 1HH1 ARG 19 HH11 ARG 19 -2.307 -1.207 -11.761 132 2HH1 ARG 19 HH12 ARG 19 -2.146 -1.386 -13.474 133 1HH2 ARG 19 HH21 ARG 19 1.024 -2.843 -13.330 134 2HH2 ARG 19 HH22 ARG 19 -0.261 -2.315 -14.364 135 H LEU 20 HN LEU 20 -2.258 -1.457 -6.512 136 HA LEU 20 HA LEU 20 -2.173 1.313 -7.522 137 1HB LEU 20 HB2 LEU 20 -1.643 0.672 -4.656 138 2HB LEU 20 HB1 LEU 20 -2.226 2.160 -5.372 139 HG LEU 20 HG LEU 20 -3.816 -0.370 -4.957 140 1HD1 LEU 20 HD11 LEU 20 -4.441 0.500 -3.017 141 2HD1 LEU 20 HD12 LEU 20 -4.920 2.006 -3.802 142 3HD1 LEU 20 HD13 LEU 20 -3.259 1.789 -3.248 143 1HD2 LEU 20 HD21 LEU 20 -4.217 1.895 -6.743 144 2HD2 LEU 20 HD22 LEU 20 -5.571 1.627 -5.645 145 3HD2 LEU 20 HD23 LEU 20 -5.021 0.326 -6.700 146 H SER 21 HN SER 21 -0.241 2.248 -7.818 147 HA SER 21 HA SER 21 2.164 0.725 -7.054 148 1HB SER 21 HB2 SER 21 2.232 2.568 -9.390 149 2HB SER 21 HB1 SER 21 3.124 1.083 -9.105 150 HG SER 21 HG SER 21 0.563 1.457 -10.143 151 H CYS 22 HN CYS 22 2.983 1.771 -5.343 152 HA CYS 22 HA CYS 22 3.067 4.705 -5.409 153 1HB CYS 22 HB2 CYS 22 2.734 2.727 -3.283 154 2HB CYS 22 HB1 CYS 22 3.940 3.952 -2.898 155 H ALA 23 HN ALA 23 4.890 5.579 -6.082 156 HA ALA 23 HA ALA 23 7.370 4.045 -5.954 157 1HB ALA 23 HB1 ALA 23 7.344 4.899 -8.047 158 2HB ALA 23 HB2 ALA 23 8.099 6.275 -7.244 159 3HB ALA 23 HB3 ALA 23 6.369 6.294 -7.586 160 H ALA 24 HN ALA 24 9.337 4.991 -5.178 161 HA ALA 24 HA ALA 24 9.393 7.419 -3.710 162 1HB ALA 24 HB1 ALA 24 8.034 6.036 -2.164 163 2HB ALA 24 HB2 ALA 24 9.559 6.573 -1.460 164 3HB ALA 24 HB3 ALA 24 9.387 4.913 -2.031 165 H SER 25 HN SER 25 11.252 7.648 -5.012 166 HA SER 25 HA SER 25 13.500 5.870 -4.362 167 1HB SER 25 HB2 SER 25 13.225 5.930 -6.707 168 2HB SER 25 HB1 SER 25 12.942 7.671 -6.713 169 HG SER 25 HG SER 25 15.010 7.968 -6.853 170 H GLY 26 HN GLY 26 15.655 6.902 -4.193 171 1HA GLY 26 HA2 GLY 26 16.394 9.452 -3.900 172 2HA GLY 26 HA1 GLY 26 15.477 9.202 -2.422 173 H ARG 27 HN ARG 27 16.581 8.532 -0.710 174 HA ARG 27 HA ARG 27 19.136 7.135 -1.161 175 1HB ARG 27 HB2 ARG 27 19.286 9.522 -0.299 176 2HB ARG 27 HB1 ARG 27 18.549 8.935 1.185 177 1HG ARG 27 HG2 ARG 27 20.504 8.218 1.934 178 2HG ARG 27 HG1 ARG 27 20.761 7.257 0.477 179 1HD ARG 27 HD2 ARG 27 21.517 10.126 0.975 180 2HD ARG 27 HD1 ARG 27 22.579 8.767 0.612 181 HE ARG 27 HE ARG 27 20.976 8.928 -1.571 182 1HH1 ARG 27 HH11 ARG 27 22.990 11.225 0.114 183 2HH1 ARG 27 HH12 ARG 27 23.340 12.150 -1.306 184 1HH2 ARG 27 HH21 ARG 27 21.436 10.142 -3.442 185 2HH2 ARG 27 HH22 ARG 27 22.456 11.536 -3.325 186 H THR 28 HN THR 28 18.356 5.069 -0.881 187 HA THR 28 HA THR 28 17.000 4.468 1.652 188 HB THR 28 HB THR 28 16.889 2.130 0.319 189 HG1 THR 28 HG1 THR 28 16.804 4.099 -1.716 190 1HG2 THR 28 HG21 THR 28 14.725 2.535 0.431 191 2HG2 THR 28 HG22 THR 28 14.853 3.753 -0.839 192 3HG2 THR 28 HG23 THR 28 15.082 4.210 0.849 193 H GLY 29 HN GLY 29 17.568 1.945 2.176 194 1HA GLY 29 HA2 GLY 29 19.469 0.407 2.274 195 2HA GLY 29 HA1 GLY 29 20.504 1.818 2.369 196 H SER 30 HN SER 30 17.652 2.122 4.127 197 HA SER 30 HA SER 30 18.943 1.239 6.613 198 1HB SER 30 HB2 SER 30 18.648 3.865 5.930 199 2HB SER 30 HB1 SER 30 17.163 3.575 6.833 200 HG SER 30 HG SER 30 18.401 3.860 8.510 201 H THR 31 HN THR 31 17.270 -0.455 5.389 202 HA THR 31 HA THR 31 15.390 -1.706 5.661 203 HB THR 31 HB THR 31 14.591 -0.330 8.164 204 HG1 THR 31 HG1 THR 31 16.705 -0.208 8.587 205 1HG2 THR 31 HG21 THR 31 13.531 -2.274 8.315 206 2HG2 THR 31 HG22 THR 31 15.101 -2.964 8.724 207 3HG2 THR 31 HG23 THR 31 14.524 -3.012 7.059 208 H TYR 32 HN TYR 32 15.287 0.958 4.378 209 HA TYR 32 HA TYR 32 12.816 2.200 4.998 210 1HB TYR 32 HB2 TYR 32 14.741 3.285 3.806 211 2HB TYR 32 HB1 TYR 32 14.331 2.326 2.389 212 HD1 TYR 32 HD1 TYR 32 13.142 5.009 4.633 213 HD2 TYR 32 HD2 TYR 32 12.539 2.953 0.957 214 HE1 TYR 32 HE1 TYR 32 11.548 6.745 3.930 215 HE2 TYR 32 HE2 TYR 32 10.943 4.683 0.244 216 HH TYR 32 HH TYR 32 10.652 7.324 0.957 217 H ASP 33 HN ASP 33 11.741 -0.034 5.064 218 HA ASP 33 HA ASP 33 11.092 -1.400 2.692 219 1HB ASP 33 HB2 ASP 33 9.574 -1.229 5.304 220 2HB ASP 33 HB1 ASP 33 9.243 -2.392 4.024 221 H MET 34 HN MET 34 8.476 -1.646 2.343 222 HA MET 34 HA MET 34 7.256 0.991 2.147 223 1HB MET 34 HB2 MET 34 8.466 -0.394 -0.096 224 2HB MET 34 HB1 MET 34 6.751 -0.117 -0.369 225 1HG MET 34 HG2 MET 34 7.476 2.306 0.540 226 2HG MET 34 HG1 MET 34 8.982 1.794 -0.221 227 1HE MET 34 HE1 MET 34 5.890 3.657 -0.646 228 2HE MET 34 HE2 MET 34 6.047 4.075 -2.352 229 3HE MET 34 HE3 MET 34 7.379 4.391 -1.240 230 H GLY 35 HN GLY 35 5.177 0.849 2.712 231 1HA GLY 35 HA2 GLY 35 3.659 -1.541 1.979 232 2HA GLY 35 HA1 GLY 35 3.792 -1.172 3.691 233 H TRP 36 HN TRP 36 1.417 -1.308 2.002 234 HA TRP 36 HA TRP 36 0.527 1.439 1.796 235 1HB TRP 36 HB2 TRP 36 -0.781 -1.166 1.098 236 2HB TRP 36 HB1 TRP 36 -1.533 0.397 0.870 237 HD1 TRP 36 HD1 TRP 36 1.446 -1.674 -0.431 238 HE1 TRP 36 HE1 TRP 36 2.037 -0.837 -2.792 239 HE3 TRP 36 HE3 TRP 36 -1.752 2.308 -0.706 240 HZ2 TRP 36 HZ2 TRP 36 1.255 1.237 -4.542 241 HZ3 TRP 36 HZ3 TRP 36 -1.768 3.666 -2.758 242 HH2 TRP 36 HH2 TRP 36 -0.299 3.140 -4.633 243 H PHE 37 HN PHE 37 -1.358 2.209 2.805 244 HA PHE 37 HA PHE 37 -2.240 0.738 5.177 245 1HB PHE 37 HB2 PHE 37 -1.070 3.474 4.971 246 2HB PHE 37 HB1 PHE 37 -2.361 3.210 6.127 247 HD1 PHE 37 HD1 PHE 37 -1.745 2.674 8.270 248 HD2 PHE 37 HD2 PHE 37 0.817 1.579 5.053 249 HE1 PHE 37 HE1 PHE 37 -0.106 1.795 9.881 250 HE2 PHE 37 HE2 PHE 37 2.460 0.695 6.658 251 HZ PHE 37 HZ PHE 37 2.000 0.803 9.075 252 H ARG 38 HN ARG 38 -4.143 2.253 6.157 253 HA ARG 38 HA ARG 38 -5.795 3.438 4.118 254 1HB ARG 38 HB2 ARG 38 -7.676 1.907 4.418 255 2HB ARG 38 HB1 ARG 38 -6.274 1.062 3.783 256 1HG ARG 38 HG2 ARG 38 -5.806 0.447 6.236 257 2HG ARG 38 HG1 ARG 38 -7.484 0.920 6.514 258 1HD ARG 38 HD2 ARG 38 -7.895 -0.655 4.433 259 2HD ARG 38 HD1 ARG 38 -6.378 -1.372 4.973 260 HE ARG 38 HE ARG 38 -8.321 -1.042 7.068 261 1HH1 ARG 38 HH11 ARG 38 -7.188 -3.134 4.516 262 2HH1 ARG 38 HH12 ARG 38 -7.829 -4.571 5.238 263 1HH2 ARG 38 HH21 ARG 38 -9.165 -2.933 8.021 264 2HH2 ARG 38 HH22 ARG 38 -8.949 -4.457 7.228 265 H GLN 39 HN GLN 39 -7.788 4.368 5.022 266 HA GLN 39 HA GLN 39 -8.138 4.434 7.867 267 1HB GLN 39 HB2 GLN 39 -6.175 5.964 7.475 268 2HB GLN 39 HB1 GLN 39 -7.250 7.000 6.547 269 1HG GLN 39 HG2 GLN 39 -8.206 7.861 8.376 270 2HG GLN 39 HG1 GLN 39 -8.243 6.310 9.212 271 1HE2 GLN 39 HE21 GLN 39 -7.642 7.646 11.063 272 2HE2 GLN 39 HE22 GLN 39 -5.972 8.001 11.326 273 H ALA 40 HN ALA 40 -10.181 4.943 8.369 274 HA ALA 40 HA ALA 40 -11.879 6.038 6.224 275 1HB ALA 40 HB1 ALA 40 -13.444 4.509 6.703 276 2HB ALA 40 HB2 ALA 40 -13.264 4.737 8.442 277 3HB ALA 40 HB3 ALA 40 -12.164 3.667 7.575 278 HA PRO 41 HA PRO 41 -13.008 9.497 8.696 279 1HB PRO 41 HB2 PRO 41 -15.717 9.652 8.500 280 2HB PRO 41 HB1 PRO 41 -14.633 10.058 7.165 281 1HG PRO 41 HG2 PRO 41 -16.161 7.534 7.663 282 2HG PRO 41 HG1 PRO 41 -15.923 8.416 6.144 283 1HD PRO 41 HD2 PRO 41 -14.501 6.200 6.784 284 2HD PRO 41 HD1 PRO 41 -13.828 7.518 5.805 285 H GLY 42 HN GLY 42 -13.285 9.986 10.769 286 1HA GLY 42 HA2 GLY 42 -13.868 9.774 12.984 287 2HA GLY 42 HA1 GLY 42 -15.193 8.737 12.470 288 H LYS 43 HN LYS 43 -12.378 7.532 11.166 289 HA LYS 43 HA LYS 43 -12.103 5.607 13.373 290 1HB LYS 43 HB2 LYS 43 -12.903 5.041 10.912 291 2HB LYS 43 HB1 LYS 43 -11.175 5.024 10.606 292 1HG LYS 43 HG2 LYS 43 -11.044 2.962 11.399 293 2HG LYS 43 HG1 LYS 43 -11.652 3.515 12.960 294 1HD LYS 43 HD2 LYS 43 -13.835 2.943 12.462 295 2HD LYS 43 HD1 LYS 43 -13.566 3.024 10.719 296 1HE LYS 43 HE2 LYS 43 -12.226 0.985 10.828 297 2HE LYS 43 HE1 LYS 43 -12.469 0.911 12.572 298 1HZ LYS 43 HZ1 LYS 43 -14.015 -0.326 10.754 299 2HZ LYS 43 HZ2 LYS 43 -14.908 1.083 11.038 300 3HZ LYS 43 HZ3 LYS 43 -14.508 0.061 12.326 301 H GLU 44 HN GLU 44 -9.824 4.395 12.936 302 HA GLU 44 HA GLU 44 -7.818 6.519 13.121 303 1HB GLU 44 HB2 GLU 44 -6.441 4.896 14.319 304 2HB GLU 44 HB1 GLU 44 -8.018 5.051 15.077 305 1HG GLU 44 HG2 GLU 44 -8.665 2.945 14.496 306 2HG GLU 44 HG1 GLU 44 -7.643 2.907 13.060 307 H ARG 45 HN ARG 45 -5.507 5.206 12.629 308 HA ARG 45 HA ARG 45 -5.763 4.594 9.774 309 1HB ARG 45 HB2 ARG 45 -3.588 5.376 9.469 310 2HB ARG 45 HB1 ARG 45 -4.229 6.450 10.703 311 1HG ARG 45 HG2 ARG 45 -3.118 5.001 12.417 312 2HG ARG 45 HG1 ARG 45 -2.343 4.140 11.086 313 1HD ARG 45 HD2 ARG 45 -1.977 6.989 11.951 314 2HD ARG 45 HD1 ARG 45 -0.763 5.728 11.761 315 HE ARG 45 HE ARG 45 -0.743 6.103 9.467 316 1HH1 ARG 45 HH11 ARG 45 -3.160 8.091 11.022 317 2HH1 ARG 45 HH12 ARG 45 -3.363 9.126 9.651 318 1HH2 ARG 45 HH21 ARG 45 -1.017 7.462 7.669 319 2HH2 ARG 45 HH22 ARG 45 -2.153 8.768 7.747 320 H GLU 46 HN GLU 46 -5.378 2.630 8.988 321 HA GLU 46 HA GLU 46 -3.905 0.697 10.646 322 1HB GLU 46 HB2 GLU 46 -5.486 -1.059 10.011 323 2HB GLU 46 HB1 GLU 46 -6.307 0.239 10.867 324 1HG GLU 46 HG2 GLU 46 -6.583 1.029 8.279 325 2HG GLU 46 HG1 GLU 46 -6.649 -0.726 8.129 326 H SER 47 HN SER 47 -2.701 -0.860 9.484 327 HA SER 47 HA SER 47 -1.924 0.015 6.861 328 1HB SER 47 HB2 SER 47 -0.102 -0.632 8.178 329 2HB SER 47 HB1 SER 47 -0.907 -2.076 8.762 330 HG SER 47 HG SER 47 0.347 -2.915 7.253 331 H VAL 48 HN VAL 48 -1.400 -1.854 5.298 332 HA VAL 48 HA VAL 48 -3.671 -3.713 5.130 333 HB VAL 48 HB VAL 48 -2.609 -2.349 2.691 334 1HG1 VAL 48 HG11 VAL 48 -5.299 -3.592 3.198 335 2HG1 VAL 48 HG12 VAL 48 -3.924 -4.478 2.536 336 3HG1 VAL 48 HG13 VAL 48 -4.604 -3.113 1.649 337 1HG2 VAL 48 HG21 VAL 48 -4.369 -1.240 4.746 338 2HG2 VAL 48 HG22 VAL 48 -5.025 -1.155 3.111 339 3HG2 VAL 48 HG23 VAL 48 -3.460 -0.426 3.473 340 H ALA 49 HN ALA 49 -0.776 -2.918 3.207 341 HA ALA 49 HA ALA 49 0.292 -5.577 3.717 342 1HB ALA 49 HB1 ALA 49 -1.196 -5.715 1.688 343 2HB ALA 49 HB2 ALA 49 0.474 -6.225 1.445 344 3HB ALA 49 HB3 ALA 49 -0.055 -4.641 0.879 345 H ALA 50 HN ALA 50 2.368 -5.418 4.135 346 HA ALA 50 HA ALA 50 3.874 -3.164 2.985 347 1HB ALA 50 HB1 ALA 50 4.483 -2.570 5.033 348 2HB ALA 50 HB2 ALA 50 5.134 -4.181 5.337 349 3HB ALA 50 HB3 ALA 50 3.438 -3.833 5.684 350 H ILE 51 HN ILE 51 6.018 -3.543 2.324 351 HA ILE 51 HA ILE 51 6.839 -6.359 2.236 352 HB ILE 51 HB ILE 51 5.815 -5.737 0.080 353 1HG1 ILE 51 HG12 ILE 51 8.695 -5.986 -0.590 354 2HG1 ILE 51 HG11 ILE 51 8.030 -7.203 0.495 355 1HG2 ILE 51 HG21 ILE 51 7.128 -4.186 -1.403 356 2HG2 ILE 51 HG22 ILE 51 7.991 -3.664 0.043 357 3HG2 ILE 51 HG23 ILE 51 6.250 -3.417 -0.081 358 1HD1 ILE 51 HD11 ILE 51 6.723 -6.539 -2.117 359 2HD1 ILE 51 HD12 ILE 51 6.529 -7.978 -1.115 360 3HD1 ILE 51 HD13 ILE 51 8.035 -7.712 -1.995 361 H ASN 52 HN ASN 52 9.045 -6.749 2.234 362 HA ASN 52 HA ASN 52 10.662 -4.801 3.512 363 1HB ASN 52 HB2 ASN 52 10.966 -7.594 2.609 364 2HB ASN 52 HB1 ASN 52 12.444 -6.660 2.766 365 1HD2 ASN 52 HD21 ASN 52 12.487 -8.622 4.377 366 2HD2 ASN 52 HD22 ASN 52 12.049 -8.212 5.997 367 H TRP 53 HN TRP 53 13.122 -4.850 2.472 368 HA TRP 53 HA TRP 53 12.778 -3.368 -0.021 369 1HB TRP 53 HB2 TRP 53 14.106 -2.607 2.129 370 2HB TRP 53 HB1 TRP 53 15.398 -3.560 1.405 371 HD1 TRP 53 HD1 TRP 53 16.966 -2.140 -0.005 372 HE1 TRP 53 HE1 TRP 53 16.765 -0.006 -1.431 373 HE3 TRP 53 HE3 TRP 53 11.973 -1.234 0.596 374 HZ2 TRP 53 HZ2 TRP 53 14.752 1.820 -2.199 375 HZ3 TRP 53 HZ3 TRP 53 10.987 0.726 -0.517 376 HH2 TRP 53 HH2 TRP 53 12.349 2.220 -1.884 377 H ASP 54 HN ASP 54 12.824 -6.386 0.234 378 HA ASP 54 HA ASP 54 14.408 -6.871 -2.093 379 1HB ASP 54 HB2 ASP 54 15.999 -6.934 -0.011 380 2HB ASP 54 HB1 ASP 54 15.274 -8.516 0.257 381 H SER 55 HN SER 55 11.657 -7.200 -1.091 382 HA SER 55 HA SER 55 9.951 -8.719 -1.046 383 1HB SER 55 HB2 SER 55 9.986 -10.339 -2.895 384 2HB SER 55 HB1 SER 55 10.550 -8.755 -3.429 385 HG SER 55 HG SER 55 11.827 -10.680 -4.066 386 H ALA 56 HN ALA 56 12.154 -9.200 0.850 387 HA ALA 56 HA ALA 56 12.596 -12.014 1.023 388 1HB ALA 56 HB1 ALA 56 14.265 -10.868 2.095 389 2HB ALA 56 HB2 ALA 56 13.236 -11.279 3.467 390 3HB ALA 56 HB3 ALA 56 13.162 -9.664 2.761 391 H ARG 57 HN ARG 57 10.494 -9.745 2.776 392 HA ARG 57 HA ARG 57 8.562 -11.851 3.226 393 1HB ARG 57 HB2 ARG 57 9.736 -10.397 5.600 394 2HB ARG 57 HB1 ARG 57 8.509 -11.657 5.631 395 1HG ARG 57 HG2 ARG 57 10.198 -13.228 4.691 396 2HG ARG 57 HG1 ARG 57 11.407 -11.956 4.880 397 1HD ARG 57 HD2 ARG 57 11.453 -13.509 6.763 398 2HD ARG 57 HD1 ARG 57 10.978 -11.891 7.278 399 HE ARG 57 HE ARG 57 8.647 -13.308 6.745 400 1HH1 ARG 57 HH11 ARG 57 11.322 -13.454 8.979 401 2HH1 ARG 57 HH12 ARG 57 10.390 -14.181 10.244 402 1HH2 ARG 57 HH21 ARG 57 7.417 -14.264 8.407 403 2HH2 ARG 57 HH22 ARG 57 8.173 -14.645 9.918 404 H THR 58 HN THR 58 6.513 -11.066 3.348 405 HA THR 58 HA THR 58 6.232 -8.152 3.223 406 HB THR 58 HB THR 58 3.816 -9.611 2.606 407 HG1 THR 58 HG1 THR 58 6.153 -10.334 1.183 408 1HG2 THR 58 HG21 THR 58 3.719 -7.682 1.490 409 2HG2 THR 58 HG22 THR 58 4.635 -8.548 0.257 410 3HG2 THR 58 HG23 THR 58 5.473 -7.519 1.418 411 H TYR 59 HN TYR 59 3.876 -7.520 4.001 412 HA TYR 59 HA TYR 59 3.242 -8.844 6.531 413 1HB TYR 59 HB2 TYR 59 4.762 -7.069 7.158 414 2HB TYR 59 HB1 TYR 59 3.856 -5.903 6.201 415 HD1 TYR 59 HD1 TYR 59 3.723 -8.029 9.229 416 HD2 TYR 59 HD2 TYR 59 1.961 -4.798 7.095 417 HE1 TYR 59 HE1 TYR 59 2.359 -7.479 11.200 418 HE2 TYR 59 HE2 TYR 59 0.593 -4.238 9.060 419 HH TYR 59 HH TYR 59 0.785 -4.600 11.601 420 H TYR 60 HN TYR 60 1.316 -9.573 5.622 421 HA TYR 60 HA TYR 60 -0.513 -7.770 4.343 422 1HB TYR 60 HB2 TYR 60 -0.711 -10.645 5.232 423 2HB TYR 60 HB1 TYR 60 -2.047 -9.786 4.486 424 HD1 TYR 60 HD1 TYR 60 -2.360 -10.331 2.275 425 HD2 TYR 60 HD2 TYR 60 1.612 -10.151 3.786 426 HE1 TYR 60 HE1 TYR 60 -1.493 -10.914 0.049 427 HE2 TYR 60 HE2 TYR 60 2.490 -10.730 1.565 428 HH TYR 60 HH TYR 60 0.523 -11.901 -0.942 429 H ALA 61 HN ALA 61 -2.712 -7.405 5.109 430 HA ALA 61 HA ALA 61 -2.813 -7.176 8.045 431 1HB ALA 61 HB1 ALA 61 -2.748 -5.019 6.889 432 2HB ALA 61 HB2 ALA 61 -4.276 -5.253 7.738 433 3HB ALA 61 HB3 ALA 61 -4.199 -5.459 5.988 434 H SER 62 HN SER 62 -5.081 -7.149 8.938 435 HA SER 62 HA SER 62 -6.402 -9.536 8.169 436 1HB SER 62 HB2 SER 62 -6.287 -8.407 10.506 437 2HB SER 62 HB1 SER 62 -7.654 -7.448 9.938 438 HG SER 62 HG SER 62 -7.627 -10.275 9.829 439 H SER 63 HN SER 63 -8.520 -9.801 7.390 440 HA SER 63 HA SER 63 -10.444 -9.276 6.248 441 1HB SER 63 HB2 SER 63 -9.519 -6.444 5.821 442 2HB SER 63 HB1 SER 63 -11.165 -7.073 5.881 443 HG SER 63 HG SER 63 -9.494 -6.292 7.927 444 H VAL 64 HN VAL 64 -7.251 -8.903 5.274 445 HA VAL 64 HA VAL 64 -7.943 -9.595 2.549 446 HB VAL 64 HB VAL 64 -6.541 -7.878 1.523 447 1HG1 VAL 64 HG11 VAL 64 -8.031 -5.981 1.823 448 2HG1 VAL 64 HG12 VAL 64 -8.655 -6.686 3.314 449 3HG1 VAL 64 HG13 VAL 64 -8.950 -7.485 1.770 450 1HG2 VAL 64 HG21 VAL 64 -5.865 -7.325 4.310 451 2HG2 VAL 64 HG22 VAL 64 -6.242 -5.876 3.377 452 3HG2 VAL 64 HG23 VAL 64 -4.968 -6.969 2.834 453 H ARG 65 HN ARG 65 -6.380 -10.526 5.078 454 HA ARG 65 HA ARG 65 -3.688 -10.732 4.275 455 1HB ARG 65 HB2 ARG 65 -4.911 -11.013 6.622 456 2HB ARG 65 HB1 ARG 65 -4.875 -12.704 6.149 457 1HG ARG 65 HG2 ARG 65 -2.315 -11.905 5.636 458 2HG ARG 65 HG1 ARG 65 -2.729 -10.960 7.066 459 1HD ARG 65 HD2 ARG 65 -2.626 -12.753 8.392 460 2HD ARG 65 HD1 ARG 65 -3.608 -13.716 7.288 461 HE ARG 65 HE ARG 65 -1.690 -14.724 6.608 462 1HH1 ARG 65 HH11 ARG 65 -0.864 -11.564 7.837 463 2HH1 ARG 65 HH12 ARG 65 0.836 -11.771 7.580 464 1HH2 ARG 65 HH21 ARG 65 0.546 -14.998 6.271 465 2HH2 ARG 65 HH22 ARG 65 1.637 -13.722 6.695 466 H GLY 66 HN GLY 66 -3.992 -11.435 2.138 467 1HA GLY 66 HA2 GLY 66 -3.177 -13.551 1.085 468 2HA GLY 66 HA1 GLY 66 -4.536 -14.318 1.895 469 H ARG 67 HN ARG 67 -5.521 -11.301 0.997 470 HA ARG 67 HA ARG 67 -6.753 -12.363 -1.459 471 1HB ARG 67 HB2 ARG 67 -7.765 -9.952 0.015 472 2HB ARG 67 HB1 ARG 67 -8.642 -11.052 -1.041 473 1HG ARG 67 HG2 ARG 67 -8.452 -12.809 0.676 474 2HG ARG 67 HG1 ARG 67 -7.646 -11.656 1.737 475 1HD ARG 67 HD2 ARG 67 -10.293 -12.127 1.785 476 2HD ARG 67 HD1 ARG 67 -9.566 -10.595 2.257 477 HE ARG 67 HE ARG 67 -10.413 -9.622 0.350 478 1HH1 ARG 67 HH11 ARG 67 -10.865 -13.082 0.199 479 2HH1 ARG 67 HH12 ARG 67 -11.954 -13.004 -1.144 480 1HH2 ARG 67 HH21 ARG 67 -11.846 -9.524 -1.416 481 2HH2 ARG 67 HH22 ARG 67 -12.508 -10.988 -2.061 482 H PHE 68 HN PHE 68 -4.965 -9.665 -0.109 483 HA PHE 68 HA PHE 68 -4.988 -8.279 -2.679 484 1HB PHE 68 HB2 PHE 68 -4.059 -7.498 0.079 485 2HB PHE 68 HB1 PHE 68 -3.677 -6.533 -1.340 486 HD1 PHE 68 HD1 PHE 68 -6.845 -8.065 -1.726 487 HD2 PHE 68 HD2 PHE 68 -4.872 -4.813 0.187 488 HE1 PHE 68 HE1 PHE 68 -8.996 -6.893 -1.507 489 HE2 PHE 68 HE2 PHE 68 -7.021 -3.638 0.409 490 HZ PHE 68 HZ PHE 68 -9.086 -4.675 -0.437 491 H THR 69 HN THR 69 -3.344 -8.370 -4.074 492 HA THR 69 HA THR 69 -1.001 -9.938 -3.410 493 HB THR 69 HB THR 69 -1.726 -8.520 -5.984 494 HG1 THR 69 HG1 THR 69 -2.180 -11.165 -5.089 495 1HG2 THR 69 HG21 THR 69 0.117 -9.300 -6.930 496 2HG2 THR 69 HG22 THR 69 -0.102 -10.898 -6.216 497 3HG2 THR 69 HG23 THR 69 0.708 -9.626 -5.302 498 H ILE 70 HN ILE 70 1.116 -9.201 -3.375 499 HA ILE 70 HA ILE 70 1.515 -6.289 -3.483 500 HB ILE 70 HB ILE 70 1.261 -6.827 -1.146 501 1HG1 ILE 70 HG12 ILE 70 4.006 -6.577 -0.679 502 2HG1 ILE 70 HG11 ILE 70 3.758 -5.848 -2.261 503 1HG2 ILE 70 HG21 ILE 70 3.517 -8.800 -1.430 504 2HG2 ILE 70 HG22 ILE 70 1.809 -9.246 -1.409 505 3HG2 ILE 70 HG23 ILE 70 2.539 -8.482 0.006 506 1HD1 ILE 70 HD11 ILE 70 3.537 -4.470 -0.023 507 2HD1 ILE 70 HD12 ILE 70 1.888 -5.092 -0.094 508 3HD1 ILE 70 HD13 ILE 70 2.528 -4.135 -1.430 509 H SER 71 HN SER 71 3.398 -5.637 -4.425 510 HA SER 71 HA SER 71 5.634 -7.448 -4.704 511 1HB SER 71 HB2 SER 71 5.690 -7.490 -7.109 512 2HB SER 71 HB1 SER 71 4.092 -8.039 -6.601 513 HG SER 71 HG SER 71 3.482 -5.734 -6.905 514 H ARG 72 HN ARG 72 7.218 -6.240 -6.445 515 HA ARG 72 HA ARG 72 7.208 -3.370 -5.841 516 1HB ARG 72 HB2 ARG 72 9.218 -5.376 -4.989 517 2HB ARG 72 HB1 ARG 72 9.846 -3.855 -5.607 518 1HG ARG 72 HG2 ARG 72 9.263 -2.735 -3.769 519 2HG ARG 72 HG1 ARG 72 7.684 -3.516 -3.681 520 1HD ARG 72 HD2 ARG 72 9.374 -3.936 -1.782 521 2HD ARG 72 HD1 ARG 72 8.498 -5.311 -2.451 522 HE ARG 72 HE ARG 72 10.494 -6.176 -3.126 523 1HH1 ARG 72 HH11 ARG 72 10.904 -2.747 -2.631 524 2HH1 ARG 72 HH12 ARG 72 12.611 -2.783 -2.918 525 1HH2 ARG 72 HH21 ARG 72 12.737 -6.225 -3.505 526 2HH2 ARG 72 HH22 ARG 72 13.652 -4.757 -3.416 527 H ASP 73 HN ASP 73 8.879 -2.185 -7.145 528 HA ASP 73 HA ASP 73 8.758 -3.136 -9.884 529 1HB ASP 73 HB2 ASP 73 8.195 -0.802 -9.446 530 2HB ASP 73 HB1 ASP 73 9.775 -0.534 -8.730 531 H ASN 74 HN ASN 74 11.122 -2.653 -7.361 532 HA ASN 74 HA ASN 74 13.314 -3.229 -7.177 533 1HB ASN 74 HB2 ASN 74 12.214 -5.384 -8.201 534 2HB ASN 74 HB1 ASN 74 13.122 -4.926 -9.639 535 1HD2 ASN 74 HD21 ASN 74 15.355 -5.015 -9.611 536 2HD2 ASN 74 HD22 ASN 74 16.233 -5.847 -8.377 537 H ALA 75 HN ALA 75 12.508 -0.965 -8.855 538 HA ALA 75 HA ALA 75 15.060 -0.557 -10.171 539 1HB ALA 75 HB1 ALA 75 13.332 0.431 -12.096 540 2HB ALA 75 HB2 ALA 75 12.633 -1.126 -11.653 541 3HB ALA 75 HB3 ALA 75 14.304 -1.036 -12.211 542 H LYS 76 HN LYS 76 11.803 0.880 -9.901 543 HA LYS 76 HA LYS 76 13.066 3.475 -9.366 544 1HB LYS 76 HB2 LYS 76 10.792 2.672 -10.895 545 2HB LYS 76 HB1 LYS 76 10.241 3.724 -9.599 546 1HG LYS 76 HG2 LYS 76 11.461 5.531 -10.367 547 2HG LYS 76 HG1 LYS 76 12.579 4.516 -11.280 548 1HD LYS 76 HD2 LYS 76 10.857 4.009 -12.899 549 2HD LYS 76 HD1 LYS 76 9.663 4.901 -11.953 550 1HE LYS 76 HE2 LYS 76 10.345 6.318 -13.736 551 2HE LYS 76 HE1 LYS 76 11.084 6.943 -12.263 552 1HZ LYS 76 HZ1 LYS 76 12.912 6.946 -13.553 553 2HZ LYS 76 HZ2 LYS 76 12.329 5.755 -14.603 554 3HZ LYS 76 HZ3 LYS 76 13.000 5.314 -13.114 555 H LYS 77 HN LYS 77 12.315 1.023 -7.525 556 HA LYS 77 HA LYS 77 11.729 0.729 -5.350 557 1HB LYS 77 HB2 LYS 77 11.820 3.731 -5.078 558 2HB LYS 77 HB1 LYS 77 12.094 2.525 -3.829 559 1HG LYS 77 HG2 LYS 77 13.876 3.068 -6.194 560 2HG LYS 77 HG1 LYS 77 14.181 3.543 -4.523 561 1HD LYS 77 HD2 LYS 77 15.286 1.611 -4.324 562 2HD LYS 77 HD1 LYS 77 13.703 0.832 -4.335 563 1HE LYS 77 HE2 LYS 77 14.222 1.221 -7.009 564 2HE LYS 77 HE1 LYS 77 15.811 0.830 -6.352 565 1HZ LYS 77 HZ1 LYS 77 15.082 -1.261 -6.675 566 2HZ LYS 77 HZ2 LYS 77 13.446 -0.839 -6.604 567 3HZ LYS 77 HZ3 LYS 77 14.330 -1.032 -5.176 568 H THR 78 HN THR 78 9.620 0.513 -6.943 569 HA THR 78 HA THR 78 7.490 2.069 -5.626 570 HB THR 78 HB THR 78 6.390 2.307 -7.597 571 HG1 THR 78 HG1 THR 78 5.686 0.361 -8.010 572 1HG2 THR 78 HG21 THR 78 8.661 1.319 -9.205 573 2HG2 THR 78 HG22 THR 78 8.959 2.675 -8.118 574 3HG2 THR 78 HG23 THR 78 7.713 2.799 -9.360 575 H VAL 79 HN VAL 79 5.512 0.982 -5.168 576 HA VAL 79 HA VAL 79 5.791 -1.938 -4.897 577 HB VAL 79 HB VAL 79 5.890 -0.944 -2.708 578 1HG1 VAL 79 HG11 VAL 79 4.896 1.182 -3.024 579 2HG1 VAL 79 HG12 VAL 79 3.913 0.335 -1.830 580 3HG1 VAL 79 HG13 VAL 79 3.358 0.463 -3.498 581 1HG2 VAL 79 HG21 VAL 79 3.546 -2.555 -3.488 582 2HG2 VAL 79 HG22 VAL 79 3.510 -1.842 -1.877 583 3HG2 VAL 79 HG23 VAL 79 4.837 -2.907 -2.340 584 H TYR 80 HN TYR 80 4.204 -3.135 -5.733 585 HA TYR 80 HA TYR 80 1.805 -1.717 -6.685 586 1HB TYR 80 HB2 TYR 80 2.973 -4.174 -7.971 587 2HB TYR 80 HB1 TYR 80 1.709 -3.128 -8.603 588 HD1 TYR 80 HD1 TYR 80 5.296 -3.428 -7.924 589 HD2 TYR 80 HD2 TYR 80 2.244 -1.106 -9.755 590 HE1 TYR 80 HE1 TYR 80 7.001 -2.145 -9.125 591 HE2 TYR 80 HE2 TYR 80 3.947 0.194 -10.961 592 HH TYR 80 HH TYR 80 6.236 -0.004 -11.685 593 H LEU 81 HN LEU 81 0.179 -2.204 -5.355 594 HA LEU 81 HA LEU 81 -0.068 -4.983 -4.464 595 1HB LEU 81 HB2 LEU 81 -0.731 -4.284 -2.444 596 2HB LEU 81 HB1 LEU 81 -0.026 -2.754 -2.914 597 HG LEU 81 HG LEU 81 -2.933 -3.309 -3.434 598 1HD1 LEU 81 HD11 LEU 81 -3.053 -3.676 -1.192 599 2HD1 LEU 81 HD12 LEU 81 -3.118 -1.913 -1.204 600 3HD1 LEU 81 HD13 LEU 81 -1.600 -2.738 -0.846 601 1HD2 LEU 81 HD21 LEU 81 -1.295 -0.821 -2.996 602 2HD2 LEU 81 HD22 LEU 81 -3.046 -0.855 -3.194 603 3HD2 LEU 81 HD23 LEU 81 -1.999 -1.372 -4.516 604 H GLN 82 HN GLN 82 -1.431 -6.137 -5.584 605 HA GLN 82 HA GLN 82 -3.572 -4.851 -7.075 606 1HB GLN 82 HB2 GLN 82 -1.842 -6.737 -7.828 607 2HB GLN 82 HB1 GLN 82 -3.118 -7.768 -7.210 608 1HG GLN 82 HG2 GLN 82 -4.658 -6.304 -8.707 609 2HG GLN 82 HG1 GLN 82 -3.152 -5.904 -9.531 610 1HE2 GLN 82 HE21 GLN 82 -5.180 -8.588 -8.502 611 2HE2 GLN 82 HE22 GLN 82 -4.703 -9.670 -9.760 612 H MET 83 HN MET 83 -5.170 -4.418 -5.596 613 HA MET 83 HA MET 83 -6.073 -6.417 -3.732 614 1HB MET 83 HB2 MET 83 -7.499 -3.858 -4.419 615 2HB MET 83 HB1 MET 83 -7.550 -4.762 -2.913 616 1HG MET 83 HG2 MET 83 -5.820 -3.674 -2.097 617 2HG MET 83 HG1 MET 83 -4.865 -3.946 -3.547 618 1HE MET 83 HE1 MET 83 -8.025 -2.384 -2.505 619 2HE MET 83 HE2 MET 83 -8.245 -1.099 -3.693 620 3HE MET 83 HE3 MET 83 -7.496 -0.742 -2.137 621 H ASN 84 HN ASN 84 -6.790 -8.147 -5.022 622 HA ASN 84 HA ASN 84 -8.737 -7.745 -7.084 623 1HB ASN 84 HB2 ASN 84 -8.624 -10.472 -6.079 624 2HB ASN 84 HB1 ASN 84 -8.277 -9.848 -7.680 625 1HD2 ASN 84 HD21 ASN 84 -6.405 -10.666 -8.270 626 2HD2 ASN 84 HD22 ASN 84 -4.958 -10.667 -7.327 627 H SER 85 HN SER 85 -10.741 -9.239 -6.985 628 HA SER 85 HA SER 85 -12.927 -8.924 -6.162 629 1HB SER 85 HB2 SER 85 -11.396 -11.146 -5.131 630 2HB SER 85 HB1 SER 85 -12.682 -10.705 -4.010 631 HG SER 85 HG SER 85 -12.868 -12.016 -6.327 632 H LEU 86 HN LEU 86 -11.919 -6.658 -5.294 633 HA LEU 86 HA LEU 86 -11.461 -6.089 -2.683 634 1HB LEU 86 HB2 LEU 86 -12.289 -4.643 -4.980 635 2HB LEU 86 HB1 LEU 86 -13.287 -4.114 -3.639 636 HG LEU 86 HG LEU 86 -10.989 -3.904 -2.390 637 1HD1 LEU 86 HD11 LEU 86 -9.452 -4.775 -3.890 638 2HD1 LEU 86 HD12 LEU 86 -9.308 -3.037 -4.149 639 3HD1 LEU 86 HD13 LEU 86 -10.231 -4.023 -5.282 640 1HD2 LEU 86 HD21 LEU 86 -10.824 -1.605 -3.853 641 2HD2 LEU 86 HD22 LEU 86 -11.912 -1.866 -2.490 642 3HD2 LEU 86 HD23 LEU 86 -12.491 -2.103 -4.138 643 H LYS 87 HN LYS 87 -12.855 -5.121 -1.027 644 HA LYS 87 HA LYS 87 -15.407 -6.580 -0.834 645 1HB LYS 87 HB2 LYS 87 -13.655 -5.528 1.396 646 2HB LYS 87 HB1 LYS 87 -15.132 -6.457 1.597 647 1HG LYS 87 HG2 LYS 87 -12.699 -7.496 0.170 648 2HG LYS 87 HG1 LYS 87 -13.014 -7.747 1.888 649 1HD LYS 87 HD2 LYS 87 -15.378 -8.526 0.775 650 2HD LYS 87 HD1 LYS 87 -14.222 -9.024 -0.462 651 1HE LYS 87 HE2 LYS 87 -13.085 -10.444 1.009 652 2HE LYS 87 HE1 LYS 87 -13.788 -9.678 2.433 653 1HZ LYS 87 HZ1 LYS 87 -14.816 -11.800 2.064 654 2HZ LYS 87 HZ2 LYS 87 -15.211 -11.393 0.470 655 3HZ LYS 87 HZ3 LYS 87 -15.954 -10.586 1.757 656 HA PRO 88 HA PRO 88 -17.573 -2.751 -0.510 657 1HB PRO 88 HB2 PRO 88 -19.629 -3.342 1.118 658 2HB PRO 88 HB1 PRO 88 -19.484 -4.046 -0.497 659 1HG PRO 88 HG2 PRO 88 -18.797 -5.241 2.159 660 2HG PRO 88 HG1 PRO 88 -19.620 -5.985 0.777 661 1HD PRO 88 HD2 PRO 88 -16.970 -6.349 1.339 662 2HD PRO 88 HD1 PRO 88 -17.651 -6.459 -0.295 663 H GLU 89 HN GLU 89 -15.649 -3.721 1.915 664 HA GLU 89 HA GLU 89 -16.388 -1.450 3.634 665 1HB GLU 89 HB2 GLU 89 -15.229 -4.127 4.405 666 2HB GLU 89 HB1 GLU 89 -15.270 -2.746 5.492 667 1HG GLU 89 HG2 GLU 89 -17.673 -4.063 4.246 668 2HG GLU 89 HG1 GLU 89 -17.109 -4.301 5.899 669 H ASP 90 HN ASP 90 -14.233 -2.356 1.378 670 HA ASP 90 HA ASP 90 -11.802 -1.529 2.701 671 1HB ASP 90 HB2 ASP 90 -12.518 -2.540 -0.016 672 2HB ASP 90 HB1 ASP 90 -11.013 -1.648 0.177 673 H THR 91 HN THR 91 -14.398 0.042 1.197 674 HA THR 91 HA THR 91 -13.227 2.137 -0.180 675 HB THR 91 HB THR 91 -15.728 2.102 1.504 676 HG1 THR 91 HG1 THR 91 -15.918 0.590 -0.062 677 1HG2 THR 91 HG21 THR 91 -16.229 4.159 0.858 678 2HG2 THR 91 HG22 THR 91 -15.869 3.775 -0.825 679 3HG2 THR 91 HG23 THR 91 -14.580 4.312 0.252 680 H ALA 92 HN ALA 92 -11.552 3.275 0.631 681 HA ALA 92 HA ALA 92 -11.987 5.130 2.732 682 1HB ALA 92 HB1 ALA 92 -11.580 3.702 4.431 683 2HB ALA 92 HB2 ALA 92 -9.897 4.029 4.019 684 3HB ALA 92 HB3 ALA 92 -10.687 2.573 3.414 685 H VAL 93 HN VAL 93 -9.562 5.906 3.486 686 HA VAL 93 HA VAL 93 -8.354 6.778 0.995 687 HB VAL 93 HB VAL 93 -7.795 7.548 3.861 688 1HG1 VAL 93 HG11 VAL 93 -6.392 8.169 1.352 689 2HG1 VAL 93 HG12 VAL 93 -5.819 8.230 3.019 690 3HG1 VAL 93 HG13 VAL 93 -6.768 9.564 2.363 691 1HG2 VAL 93 HG21 VAL 93 -9.295 8.947 1.653 692 2HG2 VAL 93 HG22 VAL 93 -8.873 9.683 3.199 693 3HG2 VAL 93 HG23 VAL 93 -9.965 8.299 3.150 694 H TYR 94 HN TYR 94 -7.023 5.270 0.127 695 HA TYR 94 HA TYR 94 -5.349 3.611 1.773 696 1HB TYR 94 HB2 TYR 94 -6.096 3.795 -1.087 697 2HB TYR 94 HB1 TYR 94 -4.524 3.106 -0.733 698 HD1 TYR 94 HD1 TYR 94 -8.147 2.717 -0.234 699 HD2 TYR 94 HD2 TYR 94 -4.319 0.926 0.249 700 HE1 TYR 94 HE1 TYR 94 -9.225 0.565 0.266 701 HE2 TYR 94 HE2 TYR 94 -5.386 -1.233 0.750 702 HH TYR 94 HH TYR 94 -8.580 -1.897 0.113 703 H THR 95 HN THR 95 -3.645 4.589 2.692 704 HA THR 95 HA THR 95 -1.995 6.366 1.016 705 HB THR 95 HB THR 95 -2.185 6.238 4.032 706 HG1 THR 95 HG1 THR 95 -3.074 8.256 2.252 707 1HG2 THR 95 HG21 THR 95 -0.838 8.193 4.120 708 2HG2 THR 95 HG22 THR 95 -0.793 8.311 2.361 709 3HG2 THR 95 HG23 THR 95 0.031 6.982 3.177 710 H CYS 96 HN CYS 96 0.077 5.841 0.611 711 HA CYS 96 HA CYS 96 1.053 3.325 1.754 712 1HB CYS 96 HB2 CYS 96 2.643 3.303 -0.120 713 2HB CYS 96 HB1 CYS 96 0.980 3.426 -0.684 714 H GLY 97 HN GLY 97 3.157 3.123 2.574 715 1HA GLY 97 HA2 GLY 97 4.634 5.606 3.077 716 2HA GLY 97 HA1 GLY 97 4.126 4.647 4.460 717 H ALA 98 HN ALA 98 6.622 4.867 4.617 718 HA ALA 98 HA ALA 98 7.742 2.390 3.504 719 1HB ALA 98 HB1 ALA 98 8.500 4.933 2.658 720 2HB ALA 98 HB2 ALA 98 9.355 3.418 2.370 721 3HB ALA 98 HB3 ALA 98 9.779 4.419 3.759 722 H GLY 99 HN GLY 99 9.724 1.687 4.677 723 1HA GLY 99 HA2 GLY 99 9.312 2.108 7.544 724 2HA GLY 99 HA1 GLY 99 10.202 0.783 6.813 725 H GLU 100 HN GLU 100 11.647 1.518 8.666 726 HA GLU 100 HA GLU 100 13.965 2.678 7.644 727 1HB GLU 100 HB2 GLU 100 11.999 4.550 8.612 728 2HB GLU 100 HB1 GLU 100 13.472 4.658 9.564 729 1HG GLU 100 HG2 GLU 100 14.634 4.715 7.232 730 2HG GLU 100 HG1 GLU 100 13.039 5.215 6.671 731 H GLY 101 HN GLY 101 15.330 1.400 8.730 732 1HA GLY 101 HA2 GLY 101 16.438 0.397 10.454 733 2HA GLY 101 HA1 GLY 101 15.800 1.672 11.479 734 H GLY 102 HN GLY 102 13.435 -0.178 9.839 735 1HA GLY 102 HA2 GLY 102 12.483 -2.272 10.588 736 2HA GLY 102 HA1 GLY 102 13.067 -1.899 12.203 737 H THR 103 HN THR 103 12.070 0.990 11.467 738 HA THR 103 HA THR 103 9.371 0.537 12.501 739 HB THR 103 HB THR 103 10.840 3.146 12.267 740 HG1 THR 103 HG1 THR 103 11.028 1.173 14.273 741 1HG2 THR 103 HG21 THR 103 8.824 3.838 12.987 742 2HG2 THR 103 HG22 THR 103 9.476 3.346 14.551 743 3HG2 THR 103 HG23 THR 103 8.404 2.263 13.663 744 H TRP 104 HN TRP 104 7.883 2.500 11.761 745 HA TRP 104 HA TRP 104 8.146 2.912 8.872 746 1HB TRP 104 HB2 TRP 104 5.698 1.870 10.304 747 2HB TRP 104 HB1 TRP 104 5.676 2.488 8.655 748 HD1 TRP 104 HD1 TRP 104 7.063 -0.438 10.723 749 HE1 TRP 104 HE1 TRP 104 7.584 -2.387 9.121 750 HE3 TRP 104 HE3 TRP 104 6.203 1.921 6.271 751 HZ2 TRP 104 HZ2 TRP 104 7.627 -2.857 6.336 752 HZ3 TRP 104 HZ3 TRP 104 6.509 0.654 4.184 753 HH2 TRP 104 HH2 TRP 104 7.206 -1.686 4.218 754 H ASP 105 HN ASP 105 8.645 5.061 9.119 755 HA ASP 105 HA ASP 105 6.557 6.740 10.332 756 1HB ASP 105 HB2 ASP 105 8.525 6.967 11.644 757 2HB ASP 105 HB1 ASP 105 9.528 7.133 10.214 758 H SER 106 HN SER 106 7.848 5.803 7.429 759 HA SER 106 HA SER 106 7.626 8.395 6.126 760 1HB SER 106 HB2 SER 106 8.955 5.899 5.552 761 2HB SER 106 HB1 SER 106 7.955 6.378 4.181 762 HG SER 106 HG SER 106 9.755 8.140 5.476 763 H TRP 107 HN TRP 107 5.958 9.037 4.863 764 HA TRP 107 HA TRP 107 3.888 7.101 4.139 765 1HB TRP 107 HB2 TRP 107 3.203 9.732 5.451 766 2HB TRP 107 HB1 TRP 107 2.100 8.434 5.016 767 HD1 TRP 107 HD1 TRP 107 4.771 9.329 7.612 768 HE1 TRP 107 HE1 TRP 107 4.461 7.806 9.664 769 HE3 TRP 107 HE3 TRP 107 1.167 6.214 5.765 770 HZ2 TRP 107 HZ2 TRP 107 2.892 5.576 10.401 771 HZ3 TRP 107 HZ3 TRP 107 0.315 4.411 7.207 772 HH2 TRP 107 HH2 TRP 107 1.160 4.100 9.476 773 H GLY 108 HN GLY 108 2.276 8.059 2.621 774 1HA GLY 108 HA2 GLY 108 3.649 9.942 0.809 775 2HA GLY 108 HA1 GLY 108 2.524 8.697 0.288 776 H GLN 109 HN GLN 109 1.168 10.126 -0.797 777 HA GLN 109 HA GLN 109 -0.032 12.314 0.693 778 1HB GLN 109 HB2 GLN 109 0.197 11.549 -2.138 779 2HB GLN 109 HB1 GLN 109 -1.299 12.342 -1.682 780 1HG GLN 109 HG2 GLN 109 0.777 13.815 -0.497 781 2HG GLN 109 HG1 GLN 109 1.274 13.478 -2.154 782 1HE2 GLN 109 HE21 GLN 109 -1.339 14.791 -0.192 783 2HE2 GLN 109 HE22 GLN 109 -1.945 15.873 -1.395 784 H GLY 110 HN GLY 110 -1.072 9.383 -1.029 785 1HA GLY 110 HA2 GLY 110 -2.696 7.953 0.137 786 2HA GLY 110 HA1 GLY 110 -3.522 9.424 0.624 787 H THR 111 HN THR 111 -4.569 7.117 -0.801 788 HA THR 111 HA THR 111 -5.713 8.559 -3.069 789 HB THR 111 HB THR 111 -3.997 7.279 -4.146 790 HG1 THR 111 HG1 THR 111 -5.272 6.392 -5.584 791 1HG2 THR 111 HG21 THR 111 -4.441 4.629 -3.860 792 2HG2 THR 111 HG22 THR 111 -4.723 5.202 -2.216 793 3HG2 THR 111 HG23 THR 111 -3.186 5.534 -3.014 794 H GLN 112 HN GLN 112 -7.804 8.632 -2.552 795 HA GLN 112 HA GLN 112 -9.070 6.812 -0.819 796 1HB GLN 112 HB2 GLN 112 -10.121 8.859 -0.848 797 2HB GLN 112 HB1 GLN 112 -9.988 9.029 -2.583 798 1HG GLN 112 HG2 GLN 112 -12.205 8.673 -2.478 799 2HG GLN 112 HG1 GLN 112 -11.708 6.984 -2.496 800 1HE2 GLN 112 HE21 GLN 112 -10.715 6.814 0.106 801 2HE2 GLN 112 HE22 GLN 112 -12.033 6.948 1.203 802 H VAL 113 HN VAL 113 -10.384 5.107 -1.142 803 HA VAL 113 HA VAL 113 -10.540 4.035 -3.880 804 HB VAL 113 HB VAL 113 -10.155 2.631 -1.244 805 1HG1 VAL 113 HG11 VAL 113 -11.671 1.183 -2.233 806 2HG1 VAL 113 HG12 VAL 113 -10.130 0.542 -2.802 807 3HG1 VAL 113 HG13 VAL 113 -11.113 1.549 -3.865 808 1HG2 VAL 113 HG21 VAL 113 -8.188 1.665 -2.432 809 2HG2 VAL 113 HG22 VAL 113 -8.107 3.411 -2.202 810 3HG2 VAL 113 HG23 VAL 113 -8.533 2.749 -3.780 811 H THR 114 HN THR 114 -12.549 3.764 -4.635 812 HA THR 114 HA THR 114 -14.781 3.928 -2.749 813 HB THR 114 HB THR 114 -14.671 4.350 -5.741 814 HG1 THR 114 HG1 THR 114 -15.188 6.500 -5.106 815 1HG2 THR 114 HG21 THR 114 -17.005 5.393 -5.192 816 2HG2 THR 114 HG22 THR 114 -16.991 4.207 -3.887 817 3HG2 THR 114 HG23 THR 114 -16.846 3.677 -5.563 818 H VAL 115 HN VAL 115 -15.742 2.117 -2.169 819 HA VAL 115 HA VAL 115 -16.025 -0.051 -4.134 820 HB VAL 115 HB VAL 115 -15.697 -0.937 -1.337 821 1HG1 VAL 115 HG11 VAL 115 -14.031 -2.418 -2.916 822 2HG1 VAL 115 HG12 VAL 115 -15.279 -1.923 -4.058 823 3HG1 VAL 115 HG13 VAL 115 -15.722 -2.793 -2.589 824 1HG2 VAL 115 HG21 VAL 115 -13.295 -0.792 -1.291 825 2HG2 VAL 115 HG22 VAL 115 -13.953 0.828 -1.514 826 3HG2 VAL 115 HG23 VAL 115 -13.267 -0.041 -2.887 827 H SER 116 HN SER 116 -17.354 -1.813 -2.289 828 HA SER 116 HA SER 116 -19.355 -2.223 -1.278 829 1HB SER 116 HB2 SER 116 -18.907 0.006 -0.091 830 2HB SER 116 HB1 SER 116 -19.981 0.726 -1.290 831 HG SER 116 HG SER 116 -20.734 -0.322 0.916 832 H SER 117 HN SER 117 -21.763 -1.932 -1.716 833 HA SER 117 HA SER 117 -22.112 -1.902 -4.611 834 1HB SER 117 HB2 SER 117 -24.172 -2.679 -2.544 835 2HB SER 117 HB1 SER 117 -24.132 -3.116 -4.252 836 HG SER 117 HG SER 117 -22.386 -4.442 -3.854 Start of MODEL 14 1 1H GLN 1 HT1 GLN 1 14.414 11.368 4.019 2 2H GLN 1 HT2 GLN 1 13.005 10.973 4.916 3 3H GLN 1 HT3 GLN 1 14.127 12.116 5.534 4 HA GLN 1 HA GLN 1 12.032 12.993 4.535 5 1HB GLN 1 HB2 GLN 1 14.849 13.795 3.952 6 2HB GLN 1 HB1 GLN 1 13.550 14.699 3.186 7 1HG GLN 1 HG2 GLN 1 13.888 15.927 5.084 8 2HG GLN 1 HG1 GLN 1 12.602 14.841 5.609 9 1HE2 GLN 1 HE21 GLN 1 16.127 14.550 5.283 10 2HE2 GLN 1 HE22 GLN 1 16.401 13.996 6.897 11 H VAL 2 HN VAL 2 12.709 10.492 2.991 12 HA VAL 2 HA VAL 2 12.887 11.158 0.249 13 HB VAL 2 HB VAL 2 12.037 8.781 -0.036 14 1HG1 VAL 2 HG11 VAL 2 14.480 9.669 0.226 15 2HG1 VAL 2 HG12 VAL 2 14.156 7.935 0.230 16 3HG1 VAL 2 HG13 VAL 2 14.415 8.787 1.752 17 1HG2 VAL 2 HG21 VAL 2 12.634 8.308 2.823 18 2HG2 VAL 2 HG22 VAL 2 11.563 7.431 1.730 19 3HG2 VAL 2 HG23 VAL 2 11.051 8.972 2.417 20 H GLN 3 HN GLN 3 11.273 11.102 -1.349 21 HA GLN 3 HA GLN 3 8.593 11.726 -0.337 22 1HB GLN 3 HB2 GLN 3 10.117 12.470 -2.791 23 2HB GLN 3 HB1 GLN 3 8.363 12.414 -2.884 24 1HG GLN 3 HG2 GLN 3 9.981 14.070 -0.962 25 2HG GLN 3 HG1 GLN 3 9.150 14.658 -2.402 26 1HE2 GLN 3 HE21 GLN 3 6.795 14.340 -2.456 27 2HE2 GLN 3 HE22 GLN 3 5.915 14.474 -0.976 28 H LEU 4 HN LEU 4 6.729 10.858 -1.370 29 HA LEU 4 HA LEU 4 7.096 8.532 -3.085 30 1HB LEU 4 HB2 LEU 4 5.471 8.300 -0.561 31 2HB LEU 4 HB1 LEU 4 5.907 7.022 -1.679 32 HG LEU 4 HG LEU 4 8.367 7.711 -0.951 33 1HD1 LEU 4 HD11 LEU 4 7.761 9.550 0.474 34 2HD1 LEU 4 HD12 LEU 4 8.392 8.238 1.472 35 3HD1 LEU 4 HD13 LEU 4 6.654 8.527 1.390 36 1HD2 LEU 4 HD21 LEU 4 7.397 5.492 -0.729 37 2HD2 LEU 4 HD22 LEU 4 6.511 6.008 0.706 38 3HD2 LEU 4 HD23 LEU 4 8.273 5.939 0.736 39 H GLN 5 HN GLN 5 5.060 7.763 -4.021 40 HA GLN 5 HA GLN 5 2.735 9.468 -3.725 41 1HB GLN 5 HB2 GLN 5 2.672 9.828 -6.257 42 2HB GLN 5 HB1 GLN 5 3.798 10.810 -5.331 43 1HG GLN 5 HG2 GLN 5 4.967 8.318 -6.272 44 2HG GLN 5 HG1 GLN 5 4.389 9.354 -7.576 45 1HE2 GLN 5 HE21 GLN 5 5.930 10.579 -8.361 46 2HE2 GLN 5 HE22 GLN 5 7.214 11.312 -7.467 47 H GLU 6 HN GLU 6 1.020 8.748 -5.440 48 HA GLU 6 HA GLU 6 1.142 5.826 -5.770 49 1HB GLU 6 HB2 GLU 6 -1.379 7.293 -5.042 50 2HB GLU 6 HB1 GLU 6 -1.077 5.567 -4.999 51 1HG GLU 6 HG2 GLU 6 -1.082 6.270 -2.763 52 2HG GLU 6 HG1 GLU 6 0.611 6.023 -3.184 53 H SER 7 HN SER 7 -0.735 5.095 -7.196 54 HA SER 7 HA SER 7 -1.777 6.867 -9.150 55 1HB SER 7 HB2 SER 7 0.342 7.033 -10.145 56 2HB SER 7 HB1 SER 7 0.724 5.340 -9.831 57 HG SER 7 HG SER 7 -0.328 4.764 -11.582 58 H GLY 8 HN GLY 8 -3.329 5.898 -10.427 59 1HA GLY 8 HA2 GLY 8 -4.428 4.056 -11.434 60 2HA GLY 8 HA1 GLY 8 -3.546 2.977 -10.365 61 H GLY 9 HN GLY 9 -4.165 4.510 -7.960 62 1HA GLY 9 HA2 GLY 9 -6.364 3.185 -7.028 63 2HA GLY 9 HA1 GLY 9 -5.783 4.696 -6.356 64 H GLY 10 HN GLY 10 -8.500 3.494 -6.905 65 1HA GLY 10 HA2 GLY 10 -9.903 5.861 -7.363 66 2HA GLY 10 HA1 GLY 10 -9.802 5.007 -8.895 67 H LEU 11 HN LEU 11 -12.198 5.148 -8.489 68 HA LEU 11 HA LEU 11 -13.402 3.537 -6.534 69 1HB LEU 11 HB2 LEU 11 -14.577 4.440 -9.150 70 2HB LEU 11 HB1 LEU 11 -15.462 3.922 -7.724 71 HG LEU 11 HG LEU 11 -13.807 5.980 -6.840 72 1HD1 LEU 11 HD11 LEU 11 -15.248 6.916 -9.307 73 2HD1 LEU 11 HD12 LEU 11 -13.536 6.491 -9.305 74 3HD1 LEU 11 HD13 LEU 11 -14.119 7.813 -8.293 75 1HD2 LEU 11 HD21 LEU 11 -16.300 7.119 -7.199 76 2HD2 LEU 11 HD22 LEU 11 -15.767 6.196 -5.795 77 3HD2 LEU 11 HD23 LEU 11 -16.641 5.392 -7.098 78 H VAL 12 HN VAL 12 -14.638 1.575 -6.875 79 HA VAL 12 HA VAL 12 -14.410 0.040 -9.248 80 HB VAL 12 HB VAL 12 -12.100 -0.222 -8.532 81 1HG1 VAL 12 HG11 VAL 12 -11.421 -0.698 -6.439 82 2HG1 VAL 12 HG12 VAL 12 -12.751 -1.819 -6.149 83 3HG1 VAL 12 HG13 VAL 12 -13.012 -0.082 -5.994 84 1HG2 VAL 12 HG21 VAL 12 -13.677 -2.169 -9.419 85 2HG2 VAL 12 HG22 VAL 12 -13.240 -2.876 -7.864 86 3HG2 VAL 12 HG23 VAL 12 -11.981 -2.442 -9.019 87 H GLN 13 HN GLN 13 -16.309 -0.966 -9.240 88 HA GLN 13 HA GLN 13 -17.988 -1.313 -7.083 89 1HB GLN 13 HB2 GLN 13 -19.347 -2.568 -8.526 90 2HB GLN 13 HB1 GLN 13 -18.495 -1.455 -9.574 91 1HG GLN 13 HG2 GLN 13 -17.741 -4.335 -9.130 92 2HG GLN 13 HG1 GLN 13 -18.653 -3.720 -10.508 93 1HE2 GLN 13 HE21 GLN 13 -17.605 -2.462 -12.054 94 2HE2 GLN 13 HE22 GLN 13 -15.883 -2.425 -12.190 95 H ALA 14 HN ALA 14 -18.732 -3.282 -6.049 96 HA ALA 14 HA ALA 14 -16.817 -4.653 -4.663 97 1HB ALA 14 HB1 ALA 14 -19.668 -4.829 -5.014 98 2HB ALA 14 HB2 ALA 14 -18.687 -5.197 -3.595 99 3HB ALA 14 HB3 ALA 14 -18.960 -6.434 -4.823 100 H GLY 15 HN GLY 15 -15.824 -6.654 -4.810 101 1HA GLY 15 HA2 GLY 15 -14.914 -8.506 -5.823 102 2HA GLY 15 HA1 GLY 15 -16.321 -8.531 -6.876 103 H GLY 16 HN GLY 16 -14.592 -5.583 -6.878 104 1HA GLY 16 HA2 GLY 16 -13.483 -6.280 -9.517 105 2HA GLY 16 HA1 GLY 16 -13.906 -4.656 -8.994 106 H SER 17 HN SER 17 -11.397 -6.806 -9.460 107 HA SER 17 HA SER 17 -9.637 -6.024 -7.386 108 1HB SER 17 HB2 SER 17 -8.655 -6.979 -10.029 109 2HB SER 17 HB1 SER 17 -8.072 -7.375 -8.418 110 HG SER 17 HG SER 17 -9.187 -9.137 -9.203 111 H LEU 18 HN LEU 18 -8.331 -4.314 -7.200 112 HA LEU 18 HA LEU 18 -7.979 -2.579 -9.554 113 1HB LEU 18 HB2 LEU 18 -9.549 -1.569 -7.985 114 2HB LEU 18 HB1 LEU 18 -8.388 -1.749 -6.682 115 HG LEU 18 HG LEU 18 -6.893 -0.289 -8.336 116 1HD1 LEU 18 HD11 LEU 18 -8.153 0.229 -10.139 117 2HD1 LEU 18 HD12 LEU 18 -8.726 1.515 -9.076 118 3HD1 LEU 18 HD13 LEU 18 -9.675 0.040 -9.268 119 1HD2 LEU 18 HD21 LEU 18 -7.657 1.697 -7.078 120 2HD2 LEU 18 HD22 LEU 18 -7.373 0.297 -6.045 121 3HD2 LEU 18 HD23 LEU 18 -9.021 0.757 -6.474 122 H ARG 19 HN ARG 19 -5.936 -2.020 -10.030 123 HA ARG 19 HA ARG 19 -3.836 -2.937 -8.203 124 1HB ARG 19 HB2 ARG 19 -3.788 -3.836 -10.486 125 2HB ARG 19 HB1 ARG 19 -3.676 -2.204 -11.127 126 1HG ARG 19 HG2 ARG 19 -1.501 -1.908 -10.297 127 2HG ARG 19 HG1 ARG 19 -1.631 -3.308 -9.231 128 1HD ARG 19 HD2 ARG 19 -2.111 -4.266 -11.823 129 2HD ARG 19 HD1 ARG 19 -0.740 -3.166 -11.962 130 HE ARG 19 HE ARG 19 -0.332 -4.855 -9.759 131 1HH1 ARG 19 HH11 ARG 19 -0.443 -4.987 -13.244 132 2HH1 ARG 19 HH12 ARG 19 0.652 -6.324 -13.353 133 1HH2 ARG 19 HH21 ARG 19 1.107 -6.614 -9.900 134 2HH2 ARG 19 HH22 ARG 19 1.529 -7.251 -11.454 135 H LEU 20 HN LEU 20 -2.570 -1.558 -7.152 136 HA LEU 20 HA LEU 20 -2.604 1.269 -7.962 137 1HB LEU 20 HB2 LEU 20 -1.958 0.358 -5.181 138 2HB LEU 20 HB1 LEU 20 -2.512 1.931 -5.724 139 HG LEU 20 HG LEU 20 -4.172 -0.583 -5.539 140 1HD1 LEU 20 HD11 LEU 20 -4.382 0.061 -3.417 141 2HD1 LEU 20 HD12 LEU 20 -5.351 1.397 -4.038 142 3HD1 LEU 20 HD13 LEU 20 -3.630 1.627 -3.726 143 1HD2 LEU 20 HD21 LEU 20 -5.852 1.580 -5.933 144 2HD2 LEU 20 HD22 LEU 20 -5.442 0.338 -7.116 145 3HD2 LEU 20 HD23 LEU 20 -4.534 1.849 -7.074 146 H SER 21 HN SER 21 -0.676 2.393 -7.962 147 HA SER 21 HA SER 21 1.768 0.795 -7.584 148 1HB SER 21 HB2 SER 21 2.760 1.859 -9.524 149 2HB SER 21 HB1 SER 21 1.228 1.125 -9.995 150 HG SER 21 HG SER 21 1.966 3.785 -9.894 151 H CYS 22 HN CYS 22 3.240 1.665 -6.278 152 HA CYS 22 HA CYS 22 3.075 4.550 -5.712 153 1HB CYS 22 HB2 CYS 22 2.192 3.309 -3.809 154 2HB CYS 22 HB1 CYS 22 3.642 2.314 -3.755 155 H ALA 23 HN ALA 23 4.943 5.671 -5.731 156 HA ALA 23 HA ALA 23 7.412 4.145 -6.244 157 1HB ALA 23 HB1 ALA 23 6.394 5.727 -8.036 158 2HB ALA 23 HB2 ALA 23 8.131 5.763 -7.729 159 3HB ALA 23 HB3 ALA 23 7.088 7.008 -7.041 160 H ALA 24 HN ALA 24 9.297 4.713 -5.180 161 HA ALA 24 HA ALA 24 8.989 6.660 -2.988 162 1HB ALA 24 HB1 ALA 24 9.962 3.872 -2.969 163 2HB ALA 24 HB2 ALA 24 9.130 4.795 -1.717 164 3HB ALA 24 HB3 ALA 24 10.859 5.026 -1.982 165 H SER 25 HN SER 25 10.053 8.395 -3.795 166 HA SER 25 HA SER 25 12.511 8.143 -5.260 167 1HB SER 25 HB2 SER 25 12.408 10.470 -5.561 168 2HB SER 25 HB1 SER 25 10.712 9.994 -5.478 169 HG SER 25 HG SER 25 12.097 11.650 -3.865 170 H GLY 26 HN GLY 26 14.316 7.561 -4.245 171 1HA GLY 26 HA2 GLY 26 16.092 8.604 -2.819 172 2HA GLY 26 HA1 GLY 26 14.850 8.728 -1.582 173 H ARG 27 HN ARG 27 17.181 7.460 -0.973 174 HA ARG 27 HA ARG 27 16.258 4.912 -0.145 175 1HB ARG 27 HB2 ARG 27 16.995 4.702 -2.655 176 2HB ARG 27 HB1 ARG 27 18.608 4.646 -1.960 177 1HG ARG 27 HG2 ARG 27 18.329 2.568 -1.163 178 2HG ARG 27 HG1 ARG 27 16.658 2.868 -0.684 179 1HD ARG 27 HD2 ARG 27 16.085 1.571 -2.406 180 2HD ARG 27 HD1 ARG 27 16.537 2.930 -3.433 181 HE ARG 27 HE ARG 27 17.978 0.459 -3.075 182 1HH1 ARG 27 HH11 ARG 27 18.184 3.792 -4.093 183 2HH1 ARG 27 HH12 ARG 27 19.569 3.528 -5.098 184 1HH2 ARG 27 HH21 ARG 27 19.797 0.112 -4.399 185 2HH2 ARG 27 HH22 ARG 27 20.483 1.440 -5.274 186 H THR 28 HN THR 28 16.930 5.363 1.894 187 HA THR 28 HA THR 28 19.451 6.531 2.501 188 HB THR 28 HB THR 28 17.392 6.657 3.942 189 HG1 THR 28 HG1 THR 28 18.580 6.626 5.831 190 1HG2 THR 28 HG21 THR 28 17.758 3.789 4.042 191 2HG2 THR 28 HG22 THR 28 16.379 4.776 4.527 192 3HG2 THR 28 HG23 THR 28 17.715 4.517 5.648 193 H GLY 29 HN GLY 29 20.188 4.802 4.723 194 1HA GLY 29 HA2 GLY 29 20.984 2.316 3.419 195 2HA GLY 29 HA1 GLY 29 22.255 3.396 3.962 196 H SER 30 HN SER 30 19.185 2.285 5.341 197 HA SER 30 HA SER 30 20.668 1.411 7.733 198 1HB SER 30 HB2 SER 30 19.395 3.484 8.163 199 2HB SER 30 HB1 SER 30 17.917 2.672 7.643 200 HG SER 30 HG SER 30 19.506 2.152 9.923 201 H THR 31 HN THR 31 17.298 1.182 6.668 202 HA THR 31 HA THR 31 17.226 -1.460 5.856 203 HB THR 31 HB THR 31 15.952 -2.126 8.188 204 HG1 THR 31 HG1 THR 31 16.643 -0.445 9.400 205 1HG2 THR 31 HG21 THR 31 18.104 -3.087 6.789 206 2HG2 THR 31 HG22 THR 31 17.398 -3.807 8.236 207 3HG2 THR 31 HG23 THR 31 18.784 -2.725 8.375 208 H TYR 32 HN TYR 32 16.000 0.611 4.852 209 HA TYR 32 HA TYR 32 13.476 1.263 5.859 210 1HB TYR 32 HB2 TYR 32 13.255 1.936 3.352 211 2HB TYR 32 HB1 TYR 32 14.309 2.843 4.401 212 HD1 TYR 32 HD1 TYR 32 14.866 -0.461 2.776 213 HD2 TYR 32 HD2 TYR 32 15.954 3.648 2.935 214 HE1 TYR 32 HE1 TYR 32 16.717 -0.898 1.219 215 HE2 TYR 32 HE2 TYR 32 17.810 3.220 1.379 216 HH TYR 32 HH TYR 32 19.237 1.199 0.724 217 H ASP 33 HN ASP 33 11.509 0.972 4.379 218 HA ASP 33 HA ASP 33 11.317 -1.523 2.951 219 1HB ASP 33 HB2 ASP 33 9.754 -1.147 5.519 220 2HB ASP 33 HB1 ASP 33 9.552 -2.476 4.381 221 H MET 34 HN MET 34 8.659 -1.846 2.705 222 HA MET 34 HA MET 34 7.488 0.781 2.190 223 1HB MET 34 HB2 MET 34 8.407 -1.104 0.146 224 2HB MET 34 HB1 MET 34 6.741 -0.583 -0.071 225 1HG MET 34 HG2 MET 34 7.474 1.279 -0.995 226 2HG MET 34 HG1 MET 34 8.210 1.727 0.540 227 1HE MET 34 HE1 MET 34 11.576 2.413 -0.749 228 2HE MET 34 HE2 MET 34 10.828 2.041 0.804 229 3HE MET 34 HE3 MET 34 10.013 3.115 -0.333 230 H GLY 35 HN GLY 35 5.164 0.705 1.767 231 1HA GLY 35 HA2 GLY 35 3.585 -1.572 1.841 232 2HA GLY 35 HA1 GLY 35 3.863 -1.123 3.515 233 H TRP 36 HN TRP 36 1.409 -1.151 1.814 234 HA TRP 36 HA TRP 36 0.681 1.643 1.628 235 1HB TRP 36 HB2 TRP 36 -0.798 -0.893 1.013 236 2HB TRP 36 HB1 TRP 36 -1.496 0.700 0.829 237 HD1 TRP 36 HD1 TRP 36 1.461 -1.368 -0.572 238 HE1 TRP 36 HE1 TRP 36 1.895 -0.597 -2.989 239 HE3 TRP 36 HE3 TRP 36 -1.924 2.458 -0.826 240 HZ2 TRP 36 HZ2 TRP 36 0.929 1.368 -4.772 241 HZ3 TRP 36 HZ3 TRP 36 -2.105 3.733 -2.923 242 HH2 TRP 36 HH2 TRP 36 -0.708 3.199 -4.852 243 H PHE 37 HN PHE 37 -1.169 2.521 2.690 244 HA PHE 37 HA PHE 37 -1.943 1.127 5.146 245 1HB PHE 37 HB2 PHE 37 -0.699 3.802 4.797 246 2HB PHE 37 HB1 PHE 37 -1.961 3.653 6.008 247 HD1 PHE 37 HD1 PHE 37 -1.287 3.179 8.148 248 HD2 PHE 37 HD2 PHE 37 1.072 1.791 4.889 249 HE1 PHE 37 HE1 PHE 37 0.348 2.248 9.733 250 HE2 PHE 37 HE2 PHE 37 2.709 0.854 6.468 251 HZ PHE 37 HZ PHE 37 2.349 1.081 8.893 252 H ARG 38 HN ARG 38 -3.785 2.616 6.220 253 HA ARG 38 HA ARG 38 -5.562 3.749 4.234 254 1HB ARG 38 HB2 ARG 38 -7.443 2.269 4.860 255 2HB ARG 38 HB1 ARG 38 -6.138 1.409 4.056 256 1HG ARG 38 HG2 ARG 38 -5.352 0.949 6.515 257 2HG ARG 38 HG1 ARG 38 -7.048 1.269 6.883 258 1HD ARG 38 HD2 ARG 38 -7.100 -0.428 4.672 259 2HD ARG 38 HD1 ARG 38 -5.824 -1.070 5.704 260 HE ARG 38 HE ARG 38 -7.416 -1.710 7.220 261 1HH1 ARG 38 HH11 ARG 38 -8.841 0.532 4.956 262 2HH1 ARG 38 HH12 ARG 38 -10.453 0.295 5.543 263 1HH2 ARG 38 HH21 ARG 38 -9.537 -2.021 7.995 264 2HH2 ARG 38 HH22 ARG 38 -10.847 -1.150 7.272 265 H GLN 39 HN GLN 39 -7.511 4.720 5.239 266 HA GLN 39 HA GLN 39 -7.373 5.127 8.116 267 1HB GLN 39 HB2 GLN 39 -6.206 6.975 6.331 268 2HB GLN 39 HB1 GLN 39 -7.699 7.711 6.893 269 1HG GLN 39 HG2 GLN 39 -5.657 6.540 8.756 270 2HG GLN 39 HG1 GLN 39 -5.628 8.221 8.228 271 1HE2 GLN 39 HE21 GLN 39 -5.783 7.798 10.848 272 2HE2 GLN 39 HE22 GLN 39 -7.366 8.139 11.449 273 H ALA 40 HN ALA 40 -9.287 5.858 9.035 274 HA ALA 40 HA ALA 40 -11.570 6.227 7.220 275 1HB ALA 40 HB1 ALA 40 -12.779 4.934 9.241 276 2HB ALA 40 HB2 ALA 40 -11.199 4.152 9.287 277 3HB ALA 40 HB3 ALA 40 -12.155 4.123 7.805 278 HA PRO 41 HA PRO 41 -12.611 9.627 9.811 279 1HB PRO 41 HB2 PRO 41 -15.326 9.623 9.763 280 2HB PRO 41 HB1 PRO 41 -14.346 10.094 8.369 281 1HG PRO 41 HG2 PRO 41 -15.693 7.483 8.942 282 2HG PRO 41 HG1 PRO 41 -15.600 8.384 7.417 283 1HD PRO 41 HD2 PRO 41 -14.011 6.253 7.965 284 2HD PRO 41 HD1 PRO 41 -13.486 7.604 6.941 285 H GLY 42 HN GLY 42 -12.747 10.037 11.908 286 1HA GLY 42 HA2 GLY 42 -13.220 9.767 14.146 287 2HA GLY 42 HA1 GLY 42 -14.486 8.635 13.687 288 H LYS 43 HN LYS 43 -11.803 7.557 12.152 289 HA LYS 43 HA LYS 43 -11.035 5.818 14.389 290 1HB LYS 43 HB2 LYS 43 -12.417 4.827 12.514 291 2HB LYS 43 HB1 LYS 43 -11.039 5.111 11.466 292 1HG LYS 43 HG2 LYS 43 -9.887 3.766 13.540 293 2HG LYS 43 HG1 LYS 43 -11.485 3.021 13.462 294 1HD LYS 43 HD2 LYS 43 -10.200 3.407 10.855 295 2HD LYS 43 HD1 LYS 43 -9.343 2.302 11.932 296 1HE LYS 43 HE2 LYS 43 -12.296 2.033 11.573 297 2HE LYS 43 HE1 LYS 43 -11.207 1.404 10.338 298 1HZ LYS 43 HZ1 LYS 43 -11.523 0.549 13.138 299 2HZ LYS 43 HZ2 LYS 43 -10.058 0.278 12.337 300 3HZ LYS 43 HZ3 LYS 43 -11.488 -0.391 11.731 301 H GLU 44 HN GLU 44 -8.861 5.158 14.472 302 HA GLU 44 HA GLU 44 -6.971 7.114 13.638 303 1HB GLU 44 HB2 GLU 44 -5.295 5.443 14.542 304 2HB GLU 44 HB1 GLU 44 -6.521 5.987 15.680 305 1HG GLU 44 HG2 GLU 44 -7.479 3.665 14.336 306 2HG GLU 44 HG1 GLU 44 -5.855 3.348 14.944 307 H ARG 45 HN ARG 45 -4.767 6.008 12.706 308 HA ARG 45 HA ARG 45 -5.566 5.057 10.064 309 1HB ARG 45 HB2 ARG 45 -3.469 5.791 9.270 310 2HB ARG 45 HB1 ARG 45 -3.986 7.025 10.410 311 1HG ARG 45 HG2 ARG 45 -2.509 6.128 12.103 312 2HG ARG 45 HG1 ARG 45 -2.042 4.809 11.027 313 1HD ARG 45 HD2 ARG 45 -1.157 6.487 9.433 314 2HD ARG 45 HD1 ARG 45 -1.533 7.752 10.602 315 HE ARG 45 HE ARG 45 0.677 5.909 10.683 316 1HH1 ARG 45 HH11 ARG 45 -1.368 8.027 12.560 317 2HH1 ARG 45 HH12 ARG 45 -0.207 8.228 13.828 318 1HH2 ARG 45 HH21 ARG 45 2.202 6.169 12.353 319 2HH2 ARG 45 HH22 ARG 45 1.819 7.171 13.713 320 H GLU 46 HN GLU 46 -4.806 3.176 9.128 321 HA GLU 46 HA GLU 46 -3.231 1.362 10.814 322 1HB GLU 46 HB2 GLU 46 -4.718 -0.490 10.357 323 2HB GLU 46 HB1 GLU 46 -5.632 0.816 11.098 324 1HG GLU 46 HG2 GLU 46 -6.175 1.474 8.647 325 2HG GLU 46 HG1 GLU 46 -5.705 -0.188 8.291 326 H SER 47 HN SER 47 -2.475 -0.563 9.515 327 HA SER 47 HA SER 47 -1.666 0.395 6.872 328 1HB SER 47 HB2 SER 47 0.065 -0.230 8.624 329 2HB SER 47 HB1 SER 47 -0.428 -1.895 8.388 330 HG SER 47 HG SER 47 0.494 -1.920 6.471 331 H VAL 48 HN VAL 48 -1.176 -1.469 5.327 332 HA VAL 48 HA VAL 48 -3.348 -3.454 5.414 333 HB VAL 48 HB VAL 48 -2.467 -2.227 2.836 334 1HG1 VAL 48 HG11 VAL 48 -3.916 -4.409 3.235 335 2HG1 VAL 48 HG12 VAL 48 -4.229 -3.310 1.892 336 3HG1 VAL 48 HG13 VAL 48 -5.210 -3.216 3.354 337 1HG2 VAL 48 HG21 VAL 48 -4.000 -0.935 4.919 338 2HG2 VAL 48 HG22 VAL 48 -4.926 -1.088 3.427 339 3HG2 VAL 48 HG23 VAL 48 -3.363 -0.272 3.414 340 H ALA 49 HN ALA 49 -0.631 -2.700 3.233 341 HA ALA 49 HA ALA 49 0.468 -5.357 3.793 342 1HB ALA 49 HB1 ALA 49 -0.980 -4.978 1.556 343 2HB ALA 49 HB2 ALA 49 0.363 -6.115 1.671 344 3HB ALA 49 HB3 ALA 49 0.619 -4.515 0.974 345 H ALA 50 HN ALA 50 2.698 -5.530 3.634 346 HA ALA 50 HA ALA 50 4.204 -3.192 2.743 347 1HB ALA 50 HB1 ALA 50 4.905 -4.370 5.396 348 2HB ALA 50 HB2 ALA 50 3.649 -3.138 5.276 349 3HB ALA 50 HB3 ALA 50 5.289 -2.782 4.736 350 H ILE 51 HN ILE 51 6.237 -3.643 1.996 351 HA ILE 51 HA ILE 51 7.059 -6.471 2.056 352 HB ILE 51 HB ILE 51 6.270 -5.862 -0.172 353 1HG1 ILE 51 HG12 ILE 51 9.174 -5.915 -0.686 354 2HG1 ILE 51 HG11 ILE 51 8.596 -7.152 0.426 355 1HG2 ILE 51 HG21 ILE 51 6.499 -3.695 -0.697 356 2HG2 ILE 51 HG22 ILE 51 8.083 -4.183 -1.300 357 3HG2 ILE 51 HG23 ILE 51 7.928 -3.496 0.317 358 1HD1 ILE 51 HD11 ILE 51 8.553 -7.217 -2.356 359 2HD1 ILE 51 HD12 ILE 51 6.876 -6.981 -1.866 360 3HD1 ILE 51 HD13 ILE 51 7.791 -8.354 -1.245 361 H ASN 52 HN ASN 52 9.215 -6.930 2.334 362 HA ASN 52 HA ASN 52 10.767 -4.964 3.683 363 1HB ASN 52 HB2 ASN 52 11.764 -7.636 2.736 364 2HB ASN 52 HB1 ASN 52 12.242 -6.727 4.155 365 1HD2 ASN 52 HD21 ASN 52 10.292 -6.259 5.658 366 2HD2 ASN 52 HD22 ASN 52 9.307 -7.633 6.013 367 H TRP 53 HN TRP 53 12.951 -4.353 3.096 368 HA TRP 53 HA TRP 53 13.320 -4.190 0.181 369 1HB TRP 53 HB2 TRP 53 13.064 -2.130 1.992 370 2HB TRP 53 HB1 TRP 53 14.807 -2.275 1.824 371 HD1 TRP 53 HD1 TRP 53 12.433 -0.096 0.581 372 HE1 TRP 53 HE1 TRP 53 12.838 0.655 -1.846 373 HE3 TRP 53 HE3 TRP 53 15.673 -3.775 -0.889 374 HZ2 TRP 53 HZ2 TRP 53 14.328 -0.194 -4.084 375 HZ3 TRP 53 HZ3 TRP 53 16.539 -3.730 -3.189 376 HH2 TRP 53 HH2 TRP 53 15.880 -1.976 -4.753 377 H ASP 54 HN ASP 54 14.209 -6.457 1.483 378 HA ASP 54 HA ASP 54 16.907 -6.562 0.725 379 1HB ASP 54 HB2 ASP 54 17.868 -6.985 3.044 380 2HB ASP 54 HB1 ASP 54 17.496 -5.310 2.650 381 H SER 55 HN SER 55 14.517 -8.077 0.382 382 HA SER 55 HA SER 55 15.552 -10.681 0.758 383 1HB SER 55 HB2 SER 55 14.885 -10.506 3.044 384 2HB SER 55 HB1 SER 55 13.322 -9.817 2.605 385 HG SER 55 HG SER 55 13.031 -11.979 3.074 386 H ALA 56 HN ALA 56 12.106 -10.370 1.110 387 HA ALA 56 HA ALA 56 11.299 -9.971 -1.515 388 1HB ALA 56 HB1 ALA 56 10.750 -12.585 -1.802 389 2HB ALA 56 HB2 ALA 56 12.279 -12.686 -0.928 390 3HB ALA 56 HB3 ALA 56 12.195 -11.816 -2.460 391 H ARG 57 HN ARG 57 10.768 -11.833 1.433 392 HA ARG 57 HA ARG 57 8.064 -12.376 1.207 393 1HB ARG 57 HB2 ARG 57 9.767 -13.052 3.038 394 2HB ARG 57 HB1 ARG 57 9.273 -11.562 3.831 395 1HG ARG 57 HG2 ARG 57 7.410 -12.491 4.596 396 2HG ARG 57 HG1 ARG 57 6.981 -13.105 2.998 397 1HD ARG 57 HD2 ARG 57 7.215 -14.947 4.542 398 2HD ARG 57 HD1 ARG 57 8.512 -15.005 3.349 399 HE ARG 57 HE ARG 57 9.647 -13.656 5.382 400 1HH1 ARG 57 HH11 ARG 57 7.883 -16.665 5.256 401 2HH1 ARG 57 HH12 ARG 57 8.735 -17.363 6.592 402 1HH2 ARG 57 HH21 ARG 57 10.768 -14.574 7.137 403 2HH2 ARG 57 HH22 ARG 57 10.372 -16.177 7.660 404 H THR 58 HN THR 58 6.237 -11.389 2.314 405 HA THR 58 HA THR 58 6.426 -8.457 2.474 406 HB THR 58 HB THR 58 3.838 -9.531 1.609 407 HG1 THR 58 HG1 THR 58 6.006 -9.584 -0.209 408 1HG2 THR 58 HG21 THR 58 4.650 -7.735 -0.273 409 2HG2 THR 58 HG22 THR 58 5.464 -7.157 1.180 410 3HG2 THR 58 HG23 THR 58 3.712 -7.355 1.171 411 H TYR 59 HN TYR 59 4.066 -7.728 3.342 412 HA TYR 59 HA TYR 59 3.334 -9.389 5.642 413 1HB TYR 59 HB2 TYR 59 4.971 -7.825 6.514 414 2HB TYR 59 HB1 TYR 59 4.132 -6.474 5.762 415 HD1 TYR 59 HD1 TYR 59 3.879 -9.038 8.422 416 HD2 TYR 59 HD2 TYR 59 2.311 -5.413 6.842 417 HE1 TYR 59 HE1 TYR 59 2.550 -8.728 10.468 418 HE2 TYR 59 HE2 TYR 59 0.979 -5.092 8.883 419 HH TYR 59 HH TYR 59 0.007 -6.824 10.738 420 H TYR 60 HN TYR 60 1.174 -9.562 5.784 421 HA TYR 60 HA TYR 60 -0.462 -7.520 4.442 422 1HB TYR 60 HB2 TYR 60 -0.740 -10.485 4.724 423 2HB TYR 60 HB1 TYR 60 -2.173 -9.499 4.514 424 HD1 TYR 60 HD1 TYR 60 -2.241 -11.189 2.490 425 HD2 TYR 60 HD2 TYR 60 0.496 -7.947 2.819 426 HE1 TYR 60 HE1 TYR 60 -1.903 -11.232 0.056 427 HE2 TYR 60 HE2 TYR 60 0.837 -7.981 0.388 428 HH TYR 60 HH TYR 60 0.084 -10.463 -1.540 429 H ALA 61 HN ALA 61 -2.632 -7.207 5.351 430 HA ALA 61 HA ALA 61 -2.539 -7.250 8.289 431 1HB ALA 61 HB1 ALA 61 -4.378 -5.523 8.075 432 2HB ALA 61 HB2 ALA 61 -4.032 -5.502 6.345 433 3HB ALA 61 HB3 ALA 61 -2.785 -5.031 7.499 434 H SER 62 HN SER 62 -4.611 -7.662 9.421 435 HA SER 62 HA SER 62 -5.894 -9.960 8.283 436 1HB SER 62 HB2 SER 62 -7.253 -9.659 10.558 437 2HB SER 62 HB1 SER 62 -5.626 -10.339 10.528 438 HG SER 62 HG SER 62 -6.121 -7.574 10.872 439 H SER 63 HN SER 63 -6.412 -7.585 6.846 440 HA SER 63 HA SER 63 -9.308 -7.294 7.271 441 1HB SER 63 HB2 SER 63 -8.173 -5.165 7.649 442 2HB SER 63 HB1 SER 63 -7.361 -5.296 6.090 443 HG SER 63 HG SER 63 -9.183 -4.803 5.074 444 H VAL 64 HN VAL 64 -6.759 -8.187 5.156 445 HA VAL 64 HA VAL 64 -8.637 -9.150 3.188 446 HB VAL 64 HB VAL 64 -7.504 -8.029 1.291 447 1HG1 VAL 64 HG11 VAL 64 -8.616 -5.903 1.523 448 2HG1 VAL 64 HG12 VAL 64 -8.659 -6.077 3.278 449 3HG1 VAL 64 HG13 VAL 64 -9.611 -7.159 2.261 450 1HG2 VAL 64 HG21 VAL 64 -6.384 -5.831 2.787 451 2HG2 VAL 64 HG22 VAL 64 -5.640 -6.838 1.545 452 3HG2 VAL 64 HG23 VAL 64 -5.615 -7.355 3.233 453 H ARG 65 HN ARG 65 -6.402 -10.040 5.064 454 HA ARG 65 HA ARG 65 -4.176 -10.858 3.623 455 1HB ARG 65 HB2 ARG 65 -4.749 -10.888 6.194 456 2HB ARG 65 HB1 ARG 65 -5.250 -12.532 5.843 457 1HG ARG 65 HG2 ARG 65 -2.751 -12.233 4.632 458 2HG ARG 65 HG1 ARG 65 -2.616 -11.460 6.211 459 1HD ARG 65 HD2 ARG 65 -3.103 -13.423 7.353 460 2HD ARG 65 HD1 ARG 65 -3.879 -14.160 5.952 461 HE ARG 65 HE ARG 65 -1.098 -13.670 5.522 462 1HH1 ARG 65 HH11 ARG 65 -3.369 -15.885 6.981 463 2HH1 ARG 65 HH12 ARG 65 -2.297 -17.242 6.883 464 1HH2 ARG 65 HH21 ARG 65 0.310 -15.452 5.393 465 2HH2 ARG 65 HH22 ARG 65 -0.207 -16.995 5.984 466 H GLY 66 HN GLY 66 -5.086 -11.506 1.666 467 1HA GLY 66 HA2 GLY 66 -4.921 -13.885 0.715 468 2HA GLY 66 HA1 GLY 66 -6.379 -14.141 1.660 469 H ARG 67 HN ARG 67 -6.494 -11.014 0.640 470 HA ARG 67 HA ARG 67 -8.014 -11.751 -1.779 471 1HB ARG 67 HB2 ARG 67 -8.577 -9.268 -0.191 472 2HB ARG 67 HB1 ARG 67 -9.636 -10.142 -1.289 473 1HG ARG 67 HG2 ARG 67 -9.633 -12.020 0.395 474 2HG ARG 67 HG1 ARG 67 -8.835 -10.904 1.504 475 1HD ARG 67 HD2 ARG 67 -11.079 -9.577 0.368 476 2HD ARG 67 HD1 ARG 67 -11.606 -11.161 0.934 477 HE ARG 67 HE ARG 67 -10.931 -8.929 2.542 478 1HH1 ARG 67 HH11 ARG 67 -10.698 -12.409 2.431 479 2HH1 ARG 67 HH12 ARG 67 -10.655 -12.587 4.152 480 1HH2 ARG 67 HH21 ARG 67 -10.874 -9.161 4.809 481 2HH2 ARG 67 HH22 ARG 67 -10.753 -10.743 5.503 482 H PHE 68 HN PHE 68 -5.831 -9.423 -0.304 483 HA PHE 68 HA PHE 68 -5.604 -7.937 -2.799 484 1HB PHE 68 HB2 PHE 68 -4.567 -7.492 -0.008 485 2HB PHE 68 HB1 PHE 68 -3.982 -6.542 -1.368 486 HD1 PHE 68 HD1 PHE 68 -7.456 -7.606 -1.429 487 HD2 PHE 68 HD2 PHE 68 -4.780 -4.532 -0.199 488 HE1 PHE 68 HE1 PHE 68 -9.353 -6.065 -1.164 489 HE2 PHE 68 HE2 PHE 68 -6.674 -2.987 0.066 490 HZ PHE 68 HZ PHE 68 -8.965 -3.752 -0.416 491 H THR 69 HN THR 69 -3.473 -7.429 -3.680 492 HA THR 69 HA THR 69 -1.471 -9.530 -3.187 493 HB THR 69 HB THR 69 -2.289 -8.450 -5.892 494 HG1 THR 69 HG1 THR 69 -2.679 -11.015 -4.747 495 1HG2 THR 69 HG21 THR 69 -0.170 -10.387 -5.063 496 2HG2 THR 69 HG22 THR 69 -0.061 -9.020 -6.172 497 3HG2 THR 69 HG23 THR 69 -0.925 -10.480 -6.654 498 H ILE 70 HN ILE 70 0.705 -8.951 -3.715 499 HA ILE 70 HA ILE 70 1.223 -6.093 -4.095 500 HB ILE 70 HB ILE 70 1.227 -6.398 -1.694 501 1HG1 ILE 70 HG12 ILE 70 3.678 -5.832 -1.232 502 2HG1 ILE 70 HG11 ILE 70 3.947 -6.058 -2.957 503 1HG2 ILE 70 HG21 ILE 70 2.567 -7.984 -0.550 504 2HG2 ILE 70 HG22 ILE 70 3.406 -8.442 -2.032 505 3HG2 ILE 70 HG23 ILE 70 1.705 -8.859 -1.817 506 1HD1 ILE 70 HD11 ILE 70 1.717 -4.329 -2.603 507 2HD1 ILE 70 HD12 ILE 70 3.282 -3.989 -3.341 508 3HD1 ILE 70 HD13 ILE 70 3.055 -3.753 -1.608 509 H SER 71 HN SER 71 3.177 -5.622 -5.100 510 HA SER 71 HA SER 71 5.140 -7.685 -5.549 511 1HB SER 71 HB2 SER 71 4.841 -7.076 -8.156 512 2HB SER 71 HB1 SER 71 4.043 -8.452 -7.396 513 HG SER 71 HG SER 71 2.226 -7.534 -7.862 514 H ARG 72 HN ARG 72 6.899 -6.831 -7.077 515 HA ARG 72 HA ARG 72 7.159 -3.913 -6.852 516 1HB ARG 72 HB2 ARG 72 9.624 -4.352 -6.310 517 2HB ARG 72 HB1 ARG 72 8.456 -4.616 -5.023 518 1HG ARG 72 HG2 ARG 72 8.500 -7.029 -5.513 519 2HG ARG 72 HG1 ARG 72 9.733 -6.734 -6.741 520 1HD ARG 72 HD2 ARG 72 10.358 -5.563 -4.137 521 2HD ARG 72 HD1 ARG 72 10.212 -7.320 -4.106 522 HE ARG 72 HE ARG 72 11.801 -6.865 -6.249 523 1HH1 ARG 72 HH11 ARG 72 11.931 -5.838 -2.916 524 2HH1 ARG 72 HH12 ARG 72 13.660 -5.755 -2.879 525 1HH2 ARG 72 HH21 ARG 72 14.074 -6.758 -6.201 526 2HH2 ARG 72 HH22 ARG 72 14.877 -6.278 -4.743 527 H ASP 73 HN ASP 73 8.237 -2.910 -8.515 528 HA ASP 73 HA ASP 73 8.544 -4.467 -10.929 529 1HB ASP 73 HB2 ASP 73 7.496 -2.240 -10.991 530 2HB ASP 73 HB1 ASP 73 9.008 -1.520 -10.451 531 H ASN 74 HN ASN 74 10.581 -3.363 -8.414 532 HA ASN 74 HA ASN 74 12.845 -3.210 -8.149 533 1HB ASN 74 HB2 ASN 74 14.053 -5.220 -8.798 534 2HB ASN 74 HB1 ASN 74 12.461 -5.649 -8.181 535 1HD2 ASN 74 HD21 ASN 74 11.062 -6.713 -9.463 536 2HD2 ASN 74 HD22 ASN 74 11.402 -7.193 -11.088 537 H ALA 75 HN ALA 75 11.790 -1.692 -10.404 538 HA ALA 75 HA ALA 75 14.129 -1.722 -12.184 539 1HB ALA 75 HB1 ALA 75 11.255 -1.093 -12.671 540 2HB ALA 75 HB2 ALA 75 12.368 -2.077 -13.621 541 3HB ALA 75 HB3 ALA 75 12.491 -0.318 -13.663 542 H LYS 76 HN LYS 76 11.670 0.734 -11.439 543 HA LYS 76 HA LYS 76 13.854 2.633 -10.924 544 1HB LYS 76 HB2 LYS 76 12.303 4.401 -11.502 545 2HB LYS 76 HB1 LYS 76 12.333 3.202 -12.787 546 1HG LYS 76 HG2 LYS 76 10.141 2.966 -12.644 547 2HG LYS 76 HG1 LYS 76 10.285 2.485 -10.953 548 1HD LYS 76 HD2 LYS 76 8.799 4.412 -11.207 549 2HD LYS 76 HD1 LYS 76 10.237 4.831 -10.274 550 1HE LYS 76 HE2 LYS 76 11.001 6.257 -11.848 551 2HE LYS 76 HE1 LYS 76 10.446 5.246 -13.181 552 1HZ LYS 76 HZ1 LYS 76 9.314 7.488 -12.823 553 2HZ LYS 76 HZ2 LYS 76 8.532 6.756 -11.515 554 3HZ LYS 76 HZ3 LYS 76 8.320 6.142 -13.077 555 H LYS 77 HN LYS 77 12.593 0.674 -9.025 556 HA LYS 77 HA LYS 77 12.150 0.622 -6.798 557 1HB LYS 77 HB2 LYS 77 13.699 2.776 -6.975 558 2HB LYS 77 HB1 LYS 77 12.205 3.590 -6.531 559 1HG LYS 77 HG2 LYS 77 13.357 1.303 -4.959 560 2HG LYS 77 HG1 LYS 77 13.735 2.995 -4.632 561 1HD LYS 77 HD2 LYS 77 11.990 2.663 -3.178 562 2HD LYS 77 HD1 LYS 77 11.121 3.242 -4.600 563 1HE LYS 77 HE2 LYS 77 11.243 0.550 -5.059 564 2HE LYS 77 HE1 LYS 77 11.082 0.617 -3.305 565 1HZ LYS 77 HZ1 LYS 77 9.015 1.526 -3.435 566 2HZ LYS 77 HZ2 LYS 77 8.995 0.629 -4.869 567 3HZ LYS 77 HZ3 LYS 77 9.302 2.291 -4.917 568 H THR 78 HN THR 78 10.008 0.160 -8.045 569 HA THR 78 HA THR 78 7.963 1.908 -6.857 570 HB THR 78 HB THR 78 7.828 0.661 -9.606 571 HG1 THR 78 HG1 THR 78 9.150 2.610 -9.295 572 1HG2 THR 78 HG21 THR 78 5.629 0.816 -8.434 573 2HG2 THR 78 HG22 THR 78 5.747 1.754 -9.923 574 3HG2 THR 78 HG23 THR 78 5.865 2.563 -8.361 575 H VAL 79 HN VAL 79 6.166 0.924 -6.058 576 HA VAL 79 HA VAL 79 6.198 -2.022 -6.003 577 HB VAL 79 HB VAL 79 5.111 -1.914 -3.820 578 1HG1 VAL 79 HG11 VAL 79 7.062 -1.743 -2.697 579 2HG1 VAL 79 HG12 VAL 79 7.424 -0.147 -3.356 580 3HG1 VAL 79 HG13 VAL 79 7.734 -1.590 -4.321 581 1HG2 VAL 79 HG21 VAL 79 3.974 0.248 -4.122 582 2HG2 VAL 79 HG22 VAL 79 5.529 1.069 -3.986 583 3HG2 VAL 79 HG23 VAL 79 4.879 0.178 -2.610 584 H TYR 80 HN TYR 80 4.207 -3.105 -6.170 585 HA TYR 80 HA TYR 80 1.889 -1.444 -6.855 586 1HB TYR 80 HB2 TYR 80 2.777 -3.844 -8.455 587 2HB TYR 80 HB1 TYR 80 1.383 -2.826 -8.785 588 HD1 TYR 80 HD1 TYR 80 5.075 -2.516 -8.329 589 HD2 TYR 80 HD2 TYR 80 1.595 -1.220 -10.401 590 HE1 TYR 80 HE1 TYR 80 6.469 -1.101 -9.774 591 HE2 TYR 80 HE2 TYR 80 2.979 0.200 -11.851 592 HH TYR 80 HH TYR 80 6.335 -0.082 -12.028 593 H LEU 81 HN LEU 81 0.078 -2.068 -5.863 594 HA LEU 81 HA LEU 81 -0.045 -4.809 -4.815 595 1HB LEU 81 HB2 LEU 81 -0.258 -4.016 -2.752 596 2HB LEU 81 HB1 LEU 81 -0.027 -2.394 -3.363 597 HG LEU 81 HG LEU 81 -2.773 -3.561 -3.453 598 1HD1 LEU 81 HD11 LEU 81 -3.185 -3.447 -1.242 599 2HD1 LEU 81 HD12 LEU 81 -2.042 -2.128 -0.986 600 3HD1 LEU 81 HD13 LEU 81 -1.458 -3.786 -1.127 601 1HD2 LEU 81 HD21 LEU 81 -2.705 -0.915 -2.514 602 2HD2 LEU 81 HD22 LEU 81 -3.193 -1.483 -4.110 603 3HD2 LEU 81 HD23 LEU 81 -1.520 -1.008 -3.817 604 H GLN 82 HN GLN 82 -1.584 -5.949 -5.735 605 HA GLN 82 HA GLN 82 -3.778 -4.606 -7.092 606 1HB GLN 82 HB2 GLN 82 -2.231 -6.619 -7.901 607 2HB GLN 82 HB1 GLN 82 -3.494 -7.548 -7.116 608 1HG GLN 82 HG2 GLN 82 -4.808 -5.642 -8.691 609 2HG GLN 82 HG1 GLN 82 -3.499 -6.285 -9.682 610 1HE2 GLN 82 HE21 GLN 82 -3.418 -8.877 -8.619 611 2HE2 GLN 82 HE22 GLN 82 -4.859 -9.704 -9.092 612 H MET 83 HN MET 83 -5.381 -4.087 -5.711 613 HA MET 83 HA MET 83 -6.118 -5.822 -3.530 614 1HB MET 83 HB2 MET 83 -7.577 -3.371 -4.511 615 2HB MET 83 HB1 MET 83 -7.690 -4.117 -2.925 616 1HG MET 83 HG2 MET 83 -5.404 -3.497 -2.453 617 2HG MET 83 HG1 MET 83 -5.258 -2.783 -4.057 618 1HE MET 83 HE1 MET 83 -8.685 -1.286 -3.669 619 2HE MET 83 HE2 MET 83 -7.372 -1.408 -4.840 620 3HE MET 83 HE3 MET 83 -7.684 0.123 -4.020 621 H ASN 84 HN ASN 84 -6.806 -7.723 -4.563 622 HA ASN 84 HA ASN 84 -9.039 -7.584 -6.401 623 1HB ASN 84 HB2 ASN 84 -8.298 -10.255 -5.496 624 2HB ASN 84 HB1 ASN 84 -8.369 -9.592 -7.117 625 1HD2 ASN 84 HD21 ASN 84 -6.398 -11.248 -5.428 626 2HD2 ASN 84 HD22 ASN 84 -4.874 -10.517 -5.786 627 H SER 85 HN SER 85 -10.727 -9.431 -5.980 628 HA SER 85 HA SER 85 -12.709 -9.707 -4.830 629 1HB SER 85 HB2 SER 85 -10.807 -11.423 -4.064 630 2HB SER 85 HB1 SER 85 -11.129 -10.667 -2.504 631 HG SER 85 HG SER 85 -12.480 -12.590 -3.520 632 H LEU 86 HN LEU 86 -12.052 -7.055 -4.553 633 HA LEU 86 HA LEU 86 -11.794 -6.088 -1.952 634 1HB LEU 86 HB2 LEU 86 -12.230 -5.015 -4.529 635 2HB LEU 86 HB1 LEU 86 -13.482 -4.355 -3.494 636 HG LEU 86 HG LEU 86 -11.473 -3.838 -1.883 637 1HD1 LEU 86 HD11 LEU 86 -9.447 -3.236 -3.191 638 2HD1 LEU 86 HD12 LEU 86 -10.140 -4.084 -4.573 639 3HD1 LEU 86 HD13 LEU 86 -9.748 -4.971 -3.101 640 1HD2 LEU 86 HD21 LEU 86 -11.296 -1.950 -4.082 641 2HD2 LEU 86 HD22 LEU 86 -11.914 -1.726 -2.446 642 3HD2 LEU 86 HD23 LEU 86 -12.964 -2.380 -3.703 643 H LYS 87 HN LYS 87 -13.373 -5.088 -0.573 644 HA LYS 87 HA LYS 87 -16.056 -6.311 -0.809 645 1HB LYS 87 HB2 LYS 87 -14.892 -5.705 1.877 646 2HB LYS 87 HB1 LYS 87 -16.085 -6.912 1.425 647 1HG LYS 87 HG2 LYS 87 -13.197 -7.099 0.625 648 2HG LYS 87 HG1 LYS 87 -13.836 -7.791 2.117 649 1HD LYS 87 HD2 LYS 87 -14.791 -8.448 -0.670 650 2HD LYS 87 HD1 LYS 87 -13.717 -9.450 0.308 651 1HE LYS 87 HE2 LYS 87 -15.682 -10.456 0.836 652 2HE LYS 87 HE1 LYS 87 -15.708 -9.181 2.053 653 1HZ LYS 87 HZ1 LYS 87 -17.706 -8.727 1.196 654 2HZ LYS 87 HZ2 LYS 87 -17.411 -9.568 -0.241 655 3HZ LYS 87 HZ3 LYS 87 -16.860 -7.980 -0.064 656 HA PRO 88 HA PRO 88 -17.730 -2.299 -0.017 657 1HB PRO 88 HB2 PRO 88 -19.910 -2.734 1.468 658 2HB PRO 88 HB1 PRO 88 -19.778 -3.364 -0.179 659 1HG PRO 88 HG2 PRO 88 -19.396 -4.777 2.428 660 2HG PRO 88 HG1 PRO 88 -20.204 -5.342 0.956 661 1HD PRO 88 HD2 PRO 88 -17.624 -5.998 1.684 662 2HD PRO 88 HD1 PRO 88 -18.246 -6.057 0.024 663 H GLU 89 HN GLU 89 -15.978 -3.669 2.315 664 HA GLU 89 HA GLU 89 -16.575 -1.564 4.285 665 1HB GLU 89 HB2 GLU 89 -15.479 -4.343 4.727 666 2HB GLU 89 HB1 GLU 89 -15.546 -3.103 5.972 667 1HG GLU 89 HG2 GLU 89 -17.790 -3.287 6.235 668 2HG GLU 89 HG1 GLU 89 -18.064 -3.729 4.550 669 H ASP 90 HN ASP 90 -14.365 -2.565 1.993 670 HA ASP 90 HA ASP 90 -11.991 -1.724 3.424 671 1HB ASP 90 HB2 ASP 90 -11.067 -2.033 0.940 672 2HB ASP 90 HB1 ASP 90 -11.358 -3.401 2.003 673 H THR 91 HN THR 91 -14.434 -0.200 1.618 674 HA THR 91 HA THR 91 -13.108 1.750 0.193 675 HB THR 91 HB THR 91 -15.712 1.895 1.702 676 HG1 THR 91 HG1 THR 91 -16.236 0.552 0.194 677 1HG2 THR 91 HG21 THR 91 -14.372 3.952 0.223 678 2HG2 THR 91 HG22 THR 91 -15.910 4.010 1.086 679 3HG2 THR 91 HG23 THR 91 -15.861 3.478 -0.595 680 H ALA 92 HN ALA 92 -11.569 3.084 0.881 681 HA ALA 92 HA ALA 92 -12.033 4.971 2.950 682 1HB ALA 92 HB1 ALA 92 -11.162 2.542 3.912 683 2HB ALA 92 HB2 ALA 92 -11.050 4.090 4.748 684 3HB ALA 92 HB3 ALA 92 -9.681 3.493 3.810 685 H VAL 93 HN VAL 93 -9.541 5.788 3.611 686 HA VAL 93 HA VAL 93 -8.480 6.655 1.033 687 HB VAL 93 HB VAL 93 -7.949 7.632 3.841 688 1HG1 VAL 93 HG11 VAL 93 -6.959 9.612 2.436 689 2HG1 VAL 93 HG12 VAL 93 -6.732 8.361 1.214 690 3HG1 VAL 93 HG13 VAL 93 -5.974 8.195 2.798 691 1HG2 VAL 93 HG21 VAL 93 -10.171 8.055 2.386 692 2HG2 VAL 93 HG22 VAL 93 -9.168 9.385 1.806 693 3HG2 VAL 93 HG23 VAL 93 -9.516 9.227 3.528 694 H TYR 94 HN TYR 94 -7.022 5.236 0.227 695 HA TYR 94 HA TYR 94 -5.235 3.791 1.972 696 1HB TYR 94 HB2 TYR 94 -6.059 3.680 -0.875 697 2HB TYR 94 HB1 TYR 94 -4.453 3.093 -0.493 698 HD1 TYR 94 HD1 TYR 94 -4.141 1.013 0.666 699 HD2 TYR 94 HD2 TYR 94 -8.048 2.608 0.118 700 HE1 TYR 94 HE1 TYR 94 -5.111 -1.134 1.372 701 HE2 TYR 94 HE2 TYR 94 -9.028 0.466 0.823 702 HH TYR 94 HH TYR 94 -8.232 -2.009 0.830 703 H THR 95 HN THR 95 -3.479 4.816 2.692 704 HA THR 95 HA THR 95 -2.087 6.664 0.878 705 HB THR 95 HB THR 95 -2.996 7.469 3.133 706 HG1 THR 95 HG1 THR 95 -0.728 8.044 1.850 707 1HG2 THR 95 HG21 THR 95 -0.506 6.234 4.250 708 2HG2 THR 95 HG22 THR 95 -2.095 5.487 4.412 709 3HG2 THR 95 HG23 THR 95 -1.796 7.081 5.104 710 H CYS 96 HN CYS 96 -0.137 6.134 0.137 711 HA CYS 96 HA CYS 96 1.051 3.628 0.886 712 1HB CYS 96 HB2 CYS 96 1.110 4.367 -1.442 713 2HB CYS 96 HB1 CYS 96 2.021 5.801 -0.983 714 H GLY 97 HN GLY 97 3.029 3.287 1.910 715 1HA GLY 97 HA2 GLY 97 4.475 5.594 2.947 716 2HA GLY 97 HA1 GLY 97 3.722 4.548 4.141 717 H ALA 98 HN ALA 98 6.408 4.948 4.217 718 HA ALA 98 HA ALA 98 7.437 2.315 3.404 719 1HB ALA 98 HB1 ALA 98 9.413 4.493 3.484 720 2HB ALA 98 HB2 ALA 98 8.235 4.586 2.175 721 3HB ALA 98 HB3 ALA 98 9.243 3.152 2.351 722 H GLY 99 HN GLY 99 8.999 1.392 4.787 723 1HA GLY 99 HA2 GLY 99 8.828 2.413 7.523 724 2HA GLY 99 HA1 GLY 99 9.313 0.791 7.056 725 H GLU 100 HN GLU 100 10.753 2.173 8.927 726 HA GLU 100 HA GLU 100 13.347 2.244 7.683 727 1HB GLU 100 HB2 GLU 100 12.077 4.734 8.795 728 2HB GLU 100 HB1 GLU 100 13.824 4.538 8.759 729 1HG GLU 100 HG2 GLU 100 13.635 4.139 6.294 730 2HG GLU 100 HG1 GLU 100 11.939 4.601 6.420 731 H GLY 101 HN GLY 101 14.477 0.992 9.013 732 1HA GLY 101 HA2 GLY 101 15.390 0.123 10.912 733 2HA GLY 101 HA1 GLY 101 15.025 1.661 11.677 734 H GLY 102 HN GLY 102 12.326 0.028 10.348 735 1HA GLY 102 HA2 GLY 102 11.035 -1.701 11.471 736 2HA GLY 102 HA1 GLY 102 11.660 -1.092 12.995 737 H THR 103 HN THR 103 11.198 1.705 11.690 738 HA THR 103 HA THR 103 8.448 1.934 12.653 739 HB THR 103 HB THR 103 10.343 4.153 11.935 740 HG1 THR 103 HG1 THR 103 11.351 3.914 13.771 741 1HG2 THR 103 HG21 THR 103 9.012 5.055 14.070 742 2HG2 THR 103 HG22 THR 103 7.777 4.010 13.366 743 3HG2 THR 103 HG23 THR 103 8.478 5.316 12.409 744 H TRP 104 HN TRP 104 7.327 3.923 11.434 745 HA TRP 104 HA TRP 104 7.728 3.721 8.551 746 1HB TRP 104 HB2 TRP 104 5.090 3.190 9.931 747 2HB TRP 104 HB1 TRP 104 5.288 3.399 8.193 748 HD1 TRP 104 HD1 TRP 104 6.137 0.946 11.019 749 HE1 TRP 104 HE1 TRP 104 6.635 -1.357 9.975 750 HE3 TRP 104 HE3 TRP 104 6.036 2.258 6.082 751 HZ2 TRP 104 HZ2 TRP 104 6.948 -2.466 7.391 752 HZ3 TRP 104 HZ3 TRP 104 6.450 0.523 4.388 753 HH2 TRP 104 HH2 TRP 104 6.899 -1.788 5.031 754 H ASP 105 HN ASP 105 8.434 5.842 8.537 755 HA ASP 105 HA ASP 105 6.507 7.880 9.394 756 1HB ASP 105 HB2 ASP 105 8.550 8.286 10.474 757 2HB ASP 105 HB1 ASP 105 9.476 7.928 9.027 758 H SER 106 HN SER 106 7.908 6.426 6.629 759 HA SER 106 HA SER 106 7.592 8.649 4.851 760 1HB SER 106 HB2 SER 106 9.166 7.141 4.046 761 2HB SER 106 HB1 SER 106 8.211 5.735 4.510 762 HG SER 106 HG SER 106 6.839 6.147 2.780 763 H TRP 107 HN TRP 107 5.845 9.285 3.765 764 HA TRP 107 HA TRP 107 3.589 7.446 3.468 765 1HB TRP 107 HB2 TRP 107 3.229 10.284 4.432 766 2HB TRP 107 HB1 TRP 107 1.981 9.060 4.238 767 HD1 TRP 107 HD1 TRP 107 4.365 10.436 6.754 768 HE1 TRP 107 HE1 TRP 107 4.251 9.052 8.922 769 HE3 TRP 107 HE3 TRP 107 1.645 6.462 5.039 770 HZ2 TRP 107 HZ2 TRP 107 3.152 6.599 9.790 771 HZ3 TRP 107 HZ3 TRP 107 1.105 4.640 6.600 772 HH2 TRP 107 HH2 TRP 107 1.844 4.708 8.926 773 H GLY 108 HN GLY 108 1.946 8.312 1.934 774 1HA GLY 108 HA2 GLY 108 3.322 9.788 -0.221 775 2HA GLY 108 HA1 GLY 108 2.065 8.588 -0.478 776 H GLN 109 HN GLN 109 0.954 10.142 -1.769 777 HA GLN 109 HA GLN 109 -0.046 12.535 -0.478 778 1HB GLN 109 HB2 GLN 109 0.638 12.183 -2.977 779 2HB GLN 109 HB1 GLN 109 -1.003 11.577 -3.139 780 1HG GLN 109 HG2 GLN 109 -1.590 13.688 -3.495 781 2HG GLN 109 HG1 GLN 109 -1.350 13.927 -1.765 782 1HE2 GLN 109 HE21 GLN 109 -1.106 16.065 -3.350 783 2HE2 GLN 109 HE22 GLN 109 0.549 16.536 -3.508 784 H GLY 110 HN GLY 110 -1.090 9.310 -1.154 785 1HA GLY 110 HA2 GLY 110 -2.878 8.315 0.072 786 2HA GLY 110 HA1 GLY 110 -3.641 9.892 0.180 787 H THR 111 HN THR 111 -4.749 7.344 -0.717 788 HA THR 111 HA THR 111 -5.934 8.314 -3.175 789 HB THR 111 HB THR 111 -4.131 7.096 -4.158 790 HG1 THR 111 HG1 THR 111 -6.252 6.632 -4.988 791 1HG2 THR 111 HG21 THR 111 -3.800 4.663 -3.667 792 2HG2 THR 111 HG22 THR 111 -4.788 4.894 -2.225 793 3HG2 THR 111 HG23 THR 111 -3.269 5.773 -2.404 794 H GLN 112 HN GLN 112 -8.042 8.183 -2.737 795 HA GLN 112 HA GLN 112 -9.047 6.333 -0.798 796 1HB GLN 112 HB2 GLN 112 -9.803 8.810 -1.789 797 2HB GLN 112 HB1 GLN 112 -11.028 7.726 -2.400 798 1HG GLN 112 HG2 GLN 112 -10.395 7.319 0.420 799 2HG GLN 112 HG1 GLN 112 -11.027 8.923 0.054 800 1HE2 GLN 112 HE21 GLN 112 -11.757 5.825 -1.441 801 2HE2 GLN 112 HE22 GLN 112 -13.427 5.820 -1.057 802 H VAL 113 HN VAL 113 -10.217 4.516 -1.121 803 HA VAL 113 HA VAL 113 -10.615 3.638 -3.903 804 HB VAL 113 HB VAL 113 -9.933 2.064 -1.423 805 1HG1 VAL 113 HG11 VAL 113 -11.618 0.808 -2.624 806 2HG1 VAL 113 HG12 VAL 113 -10.046 0.042 -2.850 807 3HG1 VAL 113 HG13 VAL 113 -10.742 1.023 -4.140 808 1HG2 VAL 113 HG21 VAL 113 -8.504 2.148 -4.071 809 2HG2 VAL 113 HG22 VAL 113 -7.932 1.460 -2.551 810 3HG2 VAL 113 HG23 VAL 113 -8.107 3.207 -2.718 811 H THR 114 HN THR 114 -12.730 3.826 -4.369 812 HA THR 114 HA THR 114 -14.698 3.435 -2.248 813 HB THR 114 HB THR 114 -15.022 4.512 -5.055 814 HG1 THR 114 HG1 THR 114 -15.283 6.500 -3.902 815 1HG2 THR 114 HG21 THR 114 -17.094 5.441 -3.455 816 2HG2 THR 114 HG22 THR 114 -16.995 3.712 -3.119 817 3HG2 THR 114 HG23 THR 114 -17.204 4.278 -4.776 818 H VAL 115 HN VAL 115 -16.056 1.739 -2.156 819 HA VAL 115 HA VAL 115 -15.959 -0.197 -4.358 820 HB VAL 115 HB VAL 115 -16.843 -0.919 -1.582 821 1HG1 VAL 115 HG11 VAL 115 -17.271 -2.731 -2.874 822 2HG1 VAL 115 HG12 VAL 115 -15.578 -3.071 -2.511 823 3HG1 VAL 115 HG13 VAL 115 -16.019 -2.329 -4.049 824 1HG2 VAL 115 HG21 VAL 115 -14.013 -1.417 -2.332 825 2HG2 VAL 115 HG22 VAL 115 -14.739 -1.195 -0.741 826 3HG2 VAL 115 HG23 VAL 115 -14.442 0.199 -1.777 827 H SER 116 HN SER 116 -17.983 -1.557 -4.419 828 HA SER 116 HA SER 116 -20.406 -0.126 -3.666 829 1HB SER 116 HB2 SER 116 -19.482 0.411 -6.104 830 2HB SER 116 HB1 SER 116 -20.298 -1.106 -6.482 831 HG SER 116 HG SER 116 -21.460 1.184 -5.270 832 H SER 117 HN SER 117 -22.228 -1.636 -5.109 833 HA SER 117 HA SER 117 -21.735 -4.365 -4.113 834 1HB SER 117 HB2 SER 117 -23.552 -2.704 -3.015 835 2HB SER 117 HB1 SER 117 -24.539 -3.412 -4.294 836 HG SER 117 HG SER 117 -23.775 -5.495 -3.450 Start of MODEL 15 1 1H GLN 1 HT1 GLN 1 14.541 14.201 3.668 2 2H GLN 1 HT2 GLN 1 15.339 12.935 2.828 3 3H GLN 1 HT3 GLN 1 13.817 12.652 3.569 4 HA GLN 1 HA GLN 1 12.940 14.437 2.077 5 1HB GLN 1 HB2 GLN 1 15.522 13.747 0.656 6 2HB GLN 1 HB1 GLN 1 14.244 14.775 0.024 7 1HG GLN 1 HG2 GLN 1 14.717 16.494 1.523 8 2HG GLN 1 HG1 GLN 1 15.634 15.433 2.592 9 1HE2 GLN 1 HE21 GLN 1 17.762 15.459 2.419 10 2HE2 GLN 1 HE22 GLN 1 18.662 16.107 1.095 11 H VAL 2 HN VAL 2 11.951 12.159 2.681 12 HA VAL 2 HA VAL 2 12.050 10.463 0.276 13 HB VAL 2 HB VAL 2 10.740 8.985 2.236 14 1HG1 VAL 2 HG11 VAL 2 12.084 7.708 0.945 15 2HG1 VAL 2 HG12 VAL 2 13.197 7.916 2.298 16 3HG1 VAL 2 HG13 VAL 2 13.352 8.931 0.864 17 1HG2 VAL 2 HG21 VAL 2 12.399 8.955 4.103 18 2HG2 VAL 2 HG22 VAL 2 11.423 10.422 4.020 19 3HG2 VAL 2 HG23 VAL 2 13.089 10.437 3.440 20 H GLN 3 HN GLN 3 10.052 9.497 -0.427 21 HA GLN 3 HA GLN 3 7.565 10.578 0.586 22 1HB GLN 3 HB2 GLN 3 8.807 11.488 -1.955 23 2HB GLN 3 HB1 GLN 3 7.077 11.172 -1.981 24 1HG GLN 3 HG2 GLN 3 7.390 12.659 0.304 25 2HG GLN 3 HG1 GLN 3 8.562 13.377 -0.800 26 1HE2 GLN 3 HE21 GLN 3 6.637 14.992 -0.074 27 2HE2 GLN 3 HE22 GLN 3 5.452 15.202 -1.313 28 H LEU 4 HN LEU 4 5.753 9.839 -1.137 29 HA LEU 4 HA LEU 4 6.313 7.334 -2.420 30 1HB LEU 4 HB2 LEU 4 4.925 7.436 0.230 31 2HB LEU 4 HB1 LEU 4 4.491 6.202 -0.936 32 HG LEU 4 HG LEU 4 7.234 6.013 -0.876 33 1HD1 LEU 4 HD11 LEU 4 6.814 5.852 1.977 34 2HD1 LEU 4 HD12 LEU 4 6.591 7.498 1.384 35 3HD1 LEU 4 HD13 LEU 4 8.101 6.644 1.068 36 1HD2 LEU 4 HD21 LEU 4 4.972 4.517 0.334 37 2HD2 LEU 4 HD22 LEU 4 6.611 4.075 0.812 38 3HD2 LEU 4 HD23 LEU 4 6.141 4.013 -0.886 39 H GLN 5 HN GLN 5 5.439 8.765 -4.095 40 HA GLN 5 HA GLN 5 2.741 9.663 -4.004 41 1HB GLN 5 HB2 GLN 5 3.043 10.008 -6.462 42 2HB GLN 5 HB1 GLN 5 4.281 10.772 -5.474 43 1HG GLN 5 HG2 GLN 5 5.919 9.543 -6.361 44 2HG GLN 5 HG1 GLN 5 4.961 8.064 -6.329 45 1HE2 GLN 5 HE21 GLN 5 2.956 8.372 -7.933 46 2HE2 GLN 5 HE22 GLN 5 3.433 8.807 -9.536 47 H GLU 6 HN GLU 6 0.934 8.860 -5.176 48 HA GLU 6 HA GLU 6 1.055 5.953 -5.652 49 1HB GLU 6 HB2 GLU 6 -1.576 7.280 -5.299 50 2HB GLU 6 HB1 GLU 6 -1.031 5.702 -4.752 51 1HG GLU 6 HG2 GLU 6 -1.276 6.825 -2.770 52 2HG GLU 6 HG1 GLU 6 0.437 7.072 -3.105 53 H SER 7 HN SER 7 -0.544 5.143 -7.279 54 HA SER 7 HA SER 7 -1.511 6.916 -9.294 55 1HB SER 7 HB2 SER 7 0.705 7.100 -10.085 56 2HB SER 7 HB1 SER 7 1.041 5.394 -9.791 57 HG SER 7 HG SER 7 -0.593 6.529 -11.807 58 H GLY 8 HN GLY 8 -3.302 5.982 -10.020 59 1HA GLY 8 HA2 GLY 8 -4.249 4.127 -11.304 60 2HA GLY 8 HA1 GLY 8 -3.337 3.039 -10.270 61 H GLY 9 HN GLY 9 -3.928 4.227 -7.776 62 1HA GLY 9 HA2 GLY 9 -6.201 2.919 -7.004 63 2HA GLY 9 HA1 GLY 9 -5.522 4.283 -6.136 64 H GLY 10 HN GLY 10 -8.310 3.333 -6.822 65 1HA GLY 10 HA2 GLY 10 -9.550 5.841 -6.946 66 2HA GLY 10 HA1 GLY 10 -9.534 5.165 -8.568 67 H LEU 11 HN LEU 11 -11.877 5.245 -8.351 68 HA LEU 11 HA LEU 11 -13.247 3.693 -6.459 69 1HB LEU 11 HB2 LEU 11 -14.209 4.610 -9.157 70 2HB LEU 11 HB1 LEU 11 -15.212 4.103 -7.807 71 HG LEU 11 HG LEU 11 -13.568 6.133 -6.808 72 1HD1 LEU 11 HD11 LEU 11 -14.130 8.018 -8.317 73 2HD1 LEU 11 HD12 LEU 11 -14.717 6.850 -9.501 74 3HD1 LEU 11 HD13 LEU 11 -13.016 6.854 -9.034 75 1HD2 LEU 11 HD21 LEU 11 -16.180 5.412 -6.679 76 2HD2 LEU 11 HD22 LEU 11 -16.285 6.897 -7.625 77 3HD2 LEU 11 HD23 LEU 11 -15.528 6.917 -6.032 78 H VAL 12 HN VAL 12 -14.237 1.681 -6.644 79 HA VAL 12 HA VAL 12 -14.181 0.105 -8.999 80 HB VAL 12 HB VAL 12 -11.801 -0.048 -8.515 81 1HG1 VAL 12 HG11 VAL 12 -12.228 -1.584 -6.022 82 2HG1 VAL 12 HG12 VAL 12 -12.392 0.168 -5.926 83 3HG1 VAL 12 HG13 VAL 12 -10.885 -0.546 -6.499 84 1HG2 VAL 12 HG21 VAL 12 -11.668 -2.244 -9.038 85 2HG2 VAL 12 HG22 VAL 12 -13.422 -2.096 -9.149 86 3HG2 VAL 12 HG23 VAL 12 -12.682 -2.739 -7.683 87 H GLN 13 HN GLN 13 -16.089 -0.860 -8.744 88 HA GLN 13 HA GLN 13 -17.298 -1.376 -6.250 89 1HB GLN 13 HB2 GLN 13 -17.920 -1.871 -9.073 90 2HB GLN 13 HB1 GLN 13 -18.671 -2.968 -7.931 91 1HG GLN 13 HG2 GLN 13 -20.159 -1.448 -7.317 92 2HG GLN 13 HG1 GLN 13 -18.907 -0.236 -7.053 93 1HE2 GLN 13 HE21 GLN 13 -19.757 -1.908 -10.038 94 2HE2 GLN 13 HE22 GLN 13 -20.227 -0.493 -10.911 95 H ALA 14 HN ALA 14 -17.793 -3.375 -5.252 96 HA ALA 14 HA ALA 14 -15.720 -5.116 -4.853 97 1HB ALA 14 HB1 ALA 14 -17.216 -6.492 -3.660 98 2HB ALA 14 HB2 ALA 14 -18.594 -5.961 -4.625 99 3HB ALA 14 HB3 ALA 14 -17.834 -4.849 -3.487 100 H GLY 15 HN GLY 15 -15.181 -7.177 -5.575 101 1HA GLY 15 HA2 GLY 15 -15.351 -9.081 -6.948 102 2HA GLY 15 HA1 GLY 15 -16.645 -8.294 -7.839 103 H GLY 16 HN GLY 16 -14.641 -5.867 -7.809 104 1HA GLY 16 HA2 GLY 16 -13.244 -6.759 -10.247 105 2HA GLY 16 HA1 GLY 16 -13.743 -5.105 -9.925 106 H SER 17 HN SER 17 -11.167 -7.196 -9.943 107 HA SER 17 HA SER 17 -9.680 -6.250 -7.722 108 1HB SER 17 HB2 SER 17 -7.973 -7.619 -8.481 109 2HB SER 17 HB1 SER 17 -9.376 -8.392 -9.212 110 HG SER 17 HG SER 17 -7.366 -7.789 -10.536 111 H LEU 18 HN LEU 18 -8.284 -4.587 -7.520 112 HA LEU 18 HA LEU 18 -7.624 -3.001 -9.895 113 1HB LEU 18 HB2 LEU 18 -9.511 -1.881 -8.871 114 2HB LEU 18 HB1 LEU 18 -8.734 -1.933 -7.300 115 HG LEU 18 HG LEU 18 -6.872 -0.583 -8.760 116 1HD1 LEU 18 HD11 LEU 18 -8.113 -0.364 -10.750 117 2HD1 LEU 18 HD12 LEU 18 -8.237 1.196 -9.937 118 3HD1 LEU 18 HD13 LEU 18 -9.586 0.061 -9.879 119 1HD2 LEU 18 HD21 LEU 18 -9.099 0.978 -7.547 120 2HD2 LEU 18 HD22 LEU 18 -7.355 1.179 -7.380 121 3HD2 LEU 18 HD23 LEU 18 -8.178 -0.124 -6.522 122 H ARG 19 HN ARG 19 -5.525 -2.458 -9.977 123 HA ARG 19 HA ARG 19 -3.901 -3.031 -7.607 124 1HB ARG 19 HB2 ARG 19 -3.340 -4.245 -9.676 125 2HB ARG 19 HB1 ARG 19 -3.042 -2.712 -10.482 126 1HG ARG 19 HG2 ARG 19 -1.117 -2.291 -9.232 127 2HG ARG 19 HG1 ARG 19 -1.545 -3.485 -8.005 128 1HD ARG 19 HD2 ARG 19 -0.190 -4.887 -9.085 129 2HD ARG 19 HD1 ARG 19 -1.430 -4.961 -10.337 130 HE ARG 19 HE ARG 19 -0.002 -2.792 -11.049 131 1HH1 ARG 19 HH11 ARG 19 0.927 -6.056 -10.232 132 2HH1 ARG 19 HH12 ARG 19 2.325 -6.046 -11.254 133 1HH2 ARG 19 HH21 ARG 19 1.835 -2.779 -12.393 134 2HH2 ARG 19 HH22 ARG 19 2.841 -4.186 -12.480 135 H LEU 20 HN LEU 20 -2.395 -1.604 -6.806 136 HA LEU 20 HA LEU 20 -2.603 1.165 -7.775 137 1HB LEU 20 HB2 LEU 20 -1.841 0.475 -4.960 138 2HB LEU 20 HB1 LEU 20 -2.490 1.978 -5.587 139 HG LEU 20 HG LEU 20 -3.985 -0.587 -5.068 140 1HD1 LEU 20 HD11 LEU 20 -4.813 0.407 -3.233 141 2HD1 LEU 20 HD12 LEU 20 -4.930 1.984 -4.012 142 3HD1 LEU 20 HD13 LEU 20 -3.385 1.434 -3.362 143 1HD2 LEU 20 HD21 LEU 20 -5.809 1.400 -5.771 144 2HD2 LEU 20 HD22 LEU 20 -5.383 -0.032 -6.707 145 3HD2 LEU 20 HD23 LEU 20 -4.542 1.491 -6.994 146 H SER 21 HN SER 21 -0.699 2.388 -7.815 147 HA SER 21 HA SER 21 1.787 0.850 -7.475 148 1HB SER 21 HB2 SER 21 2.704 1.920 -9.457 149 2HB SER 21 HB1 SER 21 1.191 1.113 -9.870 150 HG SER 21 HG SER 21 0.170 3.072 -9.933 151 H CYS 22 HN CYS 22 2.936 1.697 -5.881 152 HA CYS 22 HA CYS 22 2.947 4.626 -5.573 153 1HB CYS 22 HB2 CYS 22 1.961 3.088 -3.698 154 2HB CYS 22 HB1 CYS 22 3.653 2.784 -3.320 155 H ALA 23 HN ALA 23 4.841 5.628 -5.783 156 HA ALA 23 HA ALA 23 7.288 3.984 -5.736 157 1HB ALA 23 HB1 ALA 23 8.211 5.294 -7.493 158 2HB ALA 23 HB2 ALA 23 6.879 6.447 -7.416 159 3HB ALA 23 HB3 ALA 23 6.593 4.807 -7.998 160 H ALA 24 HN ALA 24 9.069 4.761 -4.691 161 HA ALA 24 HA ALA 24 8.662 7.206 -3.099 162 1HB ALA 24 HB1 ALA 24 9.606 6.206 -1.310 163 2HB ALA 24 HB2 ALA 24 10.775 5.318 -2.288 164 3HB ALA 24 HB3 ALA 24 9.119 4.730 -2.145 165 H SER 25 HN SER 25 10.031 8.868 -3.325 166 HA SER 25 HA SER 25 12.056 8.734 -5.373 167 1HB SER 25 HB2 SER 25 12.317 11.144 -4.968 168 2HB SER 25 HB1 SER 25 10.617 10.719 -5.162 169 HG SER 25 HG SER 25 11.933 11.032 -2.667 170 H GLY 26 HN GLY 26 14.275 9.347 -5.068 171 1HA GLY 26 HA2 GLY 26 16.260 9.560 -3.872 172 2HA GLY 26 HA1 GLY 26 15.346 9.414 -2.379 173 H ARG 27 HN ARG 27 17.826 8.071 -3.620 174 HA ARG 27 HA ARG 27 17.110 5.306 -3.830 175 1HB ARG 27 HB2 ARG 27 19.066 6.253 -4.998 176 2HB ARG 27 HB1 ARG 27 19.826 6.576 -3.445 177 1HG ARG 27 HG2 ARG 27 20.600 4.502 -3.300 178 2HG ARG 27 HG1 ARG 27 19.014 3.815 -3.652 179 1HD ARG 27 HD2 ARG 27 19.434 3.633 -5.887 180 2HD ARG 27 HD1 ARG 27 20.528 5.015 -5.905 181 HE ARG 27 HE ARG 27 22.275 3.602 -5.464 182 1HH1 ARG 27 HH11 ARG 27 19.278 1.918 -4.856 183 2HH1 ARG 27 HH12 ARG 27 20.041 0.377 -4.654 184 1HH2 ARG 27 HH21 ARG 27 23.280 1.579 -5.196 185 2HH2 ARG 27 HH22 ARG 27 22.315 0.185 -4.840 186 H THR 28 HN THR 28 16.484 4.141 -2.145 187 HA THR 28 HA THR 28 17.457 4.813 0.526 188 HB THR 28 HB THR 28 15.666 2.654 0.709 189 HG1 THR 28 HG1 THR 28 14.046 3.095 -0.635 190 1HG2 THR 28 HG21 THR 28 15.904 4.873 2.052 191 2HG2 THR 28 HG22 THR 28 14.346 4.052 1.946 192 3HG2 THR 28 HG23 THR 28 14.678 5.451 0.924 193 H GLY 29 HN GLY 29 17.283 2.425 1.826 194 1HA GLY 29 HA2 GLY 29 18.172 0.087 1.085 195 2HA GLY 29 HA1 GLY 29 19.616 1.029 0.755 196 H SER 30 HN SER 30 17.460 1.665 3.438 197 HA SER 30 HA SER 30 19.458 0.573 5.294 198 1HB SER 30 HB2 SER 30 19.671 3.030 5.156 199 2HB SER 30 HB1 SER 30 17.969 3.191 5.587 200 HG SER 30 HG SER 30 19.841 1.839 7.224 201 H THR 31 HN THR 31 17.415 -1.001 4.647 202 HA THR 31 HA THR 31 15.738 -2.257 5.538 203 HB THR 31 HB THR 31 16.076 -0.614 8.052 204 HG1 THR 31 HG1 THR 31 17.510 -2.882 7.148 205 1HG2 THR 31 HG21 THR 31 14.309 -1.912 8.597 206 2HG2 THR 31 HG22 THR 31 15.600 -3.064 8.942 207 3HG2 THR 31 HG23 THR 31 14.717 -3.160 7.419 208 H TYR 32 HN TYR 32 15.340 0.497 4.324 209 HA TYR 32 HA TYR 32 12.979 1.540 5.565 210 1HB TYR 32 HB2 TYR 32 14.858 2.532 3.824 211 2HB TYR 32 HB1 TYR 32 13.463 2.312 2.782 212 HD1 TYR 32 HD1 TYR 32 14.948 4.890 3.848 213 HD2 TYR 32 HD2 TYR 32 11.340 2.896 4.898 214 HE1 TYR 32 HE1 TYR 32 14.023 7.012 4.674 215 HE2 TYR 32 HE2 TYR 32 10.405 5.014 5.726 216 HH TYR 32 HH TYR 32 11.422 7.240 6.645 217 H ASP 33 HN ASP 33 11.562 -0.252 5.600 218 HA ASP 33 HA ASP 33 10.824 -1.662 3.241 219 1HB ASP 33 HB2 ASP 33 9.191 -1.414 5.769 220 2HB ASP 33 HB1 ASP 33 9.146 -2.717 4.585 221 H MET 34 HN MET 34 8.630 -1.671 2.323 222 HA MET 34 HA MET 34 7.297 0.937 2.466 223 1HB MET 34 HB2 MET 34 8.478 -0.407 0.104 224 2HB MET 34 HB1 MET 34 6.899 0.329 -0.131 225 1HG MET 34 HG2 MET 34 7.726 2.399 -0.093 226 2HG MET 34 HG1 MET 34 8.789 2.052 1.269 227 1HE MET 34 HE1 MET 34 11.426 -0.123 -0.578 228 2HE MET 34 HE2 MET 34 10.442 0.084 0.871 229 3HE MET 34 HE3 MET 34 11.769 1.197 0.540 230 H GLY 35 HN GLY 35 5.149 0.789 2.750 231 1HA GLY 35 HA2 GLY 35 3.704 -1.524 1.721 232 2HA GLY 35 HA1 GLY 35 3.743 -1.363 3.468 233 H TRP 36 HN TRP 36 1.383 -1.368 1.946 234 HA TRP 36 HA TRP 36 0.493 1.370 1.726 235 1HB TRP 36 HB2 TRP 36 -0.888 -1.255 1.288 236 2HB TRP 36 HB1 TRP 36 -1.675 0.294 1.093 237 HD1 TRP 36 HD1 TRP 36 0.882 -1.995 -0.572 238 HE1 TRP 36 HE1 TRP 36 1.283 -1.177 -2.979 239 HE3 TRP 36 HE3 TRP 36 -1.724 2.399 -0.379 240 HZ2 TRP 36 HZ2 TRP 36 0.582 1.038 -4.588 241 HZ3 TRP 36 HZ3 TRP 36 -1.809 3.811 -2.392 242 HH2 TRP 36 HH2 TRP 36 -0.678 3.147 -4.452 243 H PHE 37 HN PHE 37 -1.299 2.210 2.865 244 HA PHE 37 HA PHE 37 -1.963 0.856 5.369 245 1HB PHE 37 HB2 PHE 37 -0.643 3.491 4.974 246 2HB PHE 37 HB1 PHE 37 -1.867 3.389 6.226 247 HD1 PHE 37 HD1 PHE 37 -1.172 2.847 8.345 248 HD2 PHE 37 HD2 PHE 37 1.103 1.487 5.016 249 HE1 PHE 37 HE1 PHE 37 0.486 1.877 9.881 250 HE2 PHE 37 HE2 PHE 37 2.764 0.509 6.546 251 HZ PHE 37 HZ PHE 37 2.456 0.704 8.982 252 H ARG 38 HN ARG 38 -3.667 2.501 6.506 253 HA ARG 38 HA ARG 38 -5.523 3.571 4.550 254 1HB ARG 38 HB2 ARG 38 -7.109 2.074 6.366 255 2HB ARG 38 HB1 ARG 38 -6.992 1.903 4.625 256 1HG ARG 38 HG2 ARG 38 -5.198 0.329 4.849 257 2HG ARG 38 HG1 ARG 38 -5.150 0.569 6.594 258 1HD ARG 38 HD2 ARG 38 -6.322 -1.484 6.062 259 2HD ARG 38 HD1 ARG 38 -7.437 -0.313 6.761 260 HE ARG 38 HE ARG 38 -7.405 -1.288 4.020 261 1HH1 ARG 38 HH11 ARG 38 -8.736 0.968 6.332 262 2HH1 ARG 38 HH12 ARG 38 -10.131 1.316 5.371 263 1HH2 ARG 38 HH21 ARG 38 -9.237 -0.823 2.759 264 2HH2 ARG 38 HH22 ARG 38 -10.415 0.305 3.343 265 H GLN 39 HN GLN 39 -7.070 5.010 5.420 266 HA GLN 39 HA GLN 39 -7.037 5.569 8.259 267 1HB GLN 39 HB2 GLN 39 -5.338 7.020 6.477 268 2HB GLN 39 HB1 GLN 39 -6.603 8.104 7.040 269 1HG GLN 39 HG2 GLN 39 -5.023 6.414 8.941 270 2HG GLN 39 HG1 GLN 39 -4.439 7.980 8.386 271 1HE2 GLN 39 HE21 GLN 39 -4.994 7.344 11.060 272 2HE2 GLN 39 HE22 GLN 39 -6.308 8.331 11.587 273 H ALA 40 HN ALA 40 -8.396 7.688 8.619 274 HA ALA 40 HA ALA 40 -10.358 8.419 6.734 275 1HB ALA 40 HB1 ALA 40 -11.584 6.520 6.851 276 2HB ALA 40 HB2 ALA 40 -12.226 7.297 8.298 277 3HB ALA 40 HB3 ALA 40 -10.956 6.082 8.439 278 HA PRO 41 HA PRO 41 -10.802 11.684 9.649 279 1HB PRO 41 HB2 PRO 41 -13.436 12.384 9.294 280 2HB PRO 41 HB1 PRO 41 -12.133 12.856 8.198 281 1HG PRO 41 HG2 PRO 41 -14.105 10.620 7.948 282 2HG PRO 41 HG1 PRO 41 -13.504 11.730 6.702 283 1HD PRO 41 HD2 PRO 41 -12.582 9.210 6.928 284 2HD PRO 41 HD1 PRO 41 -11.533 10.551 6.423 285 H GLY 42 HN GLY 42 -11.168 11.865 11.757 286 1HA GLY 42 HA2 GLY 42 -11.965 11.396 13.862 287 2HA GLY 42 HA1 GLY 42 -13.446 10.833 13.097 288 H LYS 43 HN LYS 43 -10.809 9.254 11.762 289 HA LYS 43 HA LYS 43 -11.279 6.916 13.485 290 1HB LYS 43 HB2 LYS 43 -11.743 7.098 10.865 291 2HB LYS 43 HB1 LYS 43 -10.043 6.673 10.796 292 1HG LYS 43 HG2 LYS 43 -10.685 4.549 10.933 293 2HG LYS 43 HG1 LYS 43 -11.107 4.875 12.615 294 1HD LYS 43 HD2 LYS 43 -13.302 5.822 11.322 295 2HD LYS 43 HD1 LYS 43 -12.835 4.482 10.272 296 1HE LYS 43 HE2 LYS 43 -13.226 4.277 13.255 297 2HE LYS 43 HE1 LYS 43 -14.437 3.835 12.052 298 1HZ LYS 43 HZ1 LYS 43 -13.341 1.860 12.665 299 2HZ LYS 43 HZ2 LYS 43 -11.807 2.559 12.531 300 3HZ LYS 43 HZ3 LYS 43 -12.725 2.263 11.141 301 H GLU 44 HN GLU 44 -9.183 5.336 12.782 302 HA GLU 44 HA GLU 44 -6.845 6.865 13.689 303 1HB GLU 44 HB2 GLU 44 -7.294 3.914 14.116 304 2HB GLU 44 HB1 GLU 44 -6.085 4.939 14.878 305 1HG GLU 44 HG2 GLU 44 -7.820 6.118 16.096 306 2HG GLU 44 HG1 GLU 44 -9.059 5.151 15.296 307 H ARG 45 HN ARG 45 -4.748 5.493 13.178 308 HA ARG 45 HA ARG 45 -4.811 5.045 10.288 309 1HB ARG 45 HB2 ARG 45 -2.951 6.269 12.080 310 2HB ARG 45 HB1 ARG 45 -2.157 4.914 11.292 311 1HG ARG 45 HG2 ARG 45 -3.124 5.932 9.116 312 2HG ARG 45 HG1 ARG 45 -3.295 7.397 10.087 313 1HD ARG 45 HD2 ARG 45 -0.795 5.900 9.365 314 2HD ARG 45 HD1 ARG 45 -1.194 7.589 9.056 315 HE ARG 45 HE ARG 45 0.007 6.515 11.405 316 1HH1 ARG 45 HH11 ARG 45 -2.129 9.027 10.266 317 2HH1 ARG 45 HH12 ARG 45 -1.772 10.099 11.578 318 1HH2 ARG 45 HH21 ARG 45 0.479 7.924 13.132 319 2HH2 ARG 45 HH22 ARG 45 -0.289 9.476 13.202 320 H GLU 46 HN GLU 46 -4.371 3.141 9.352 321 HA GLU 46 HA GLU 46 -3.290 0.956 10.977 322 1HB GLU 46 HB2 GLU 46 -4.994 -0.591 10.270 323 2HB GLU 46 HB1 GLU 46 -5.775 0.801 11.007 324 1HG GLU 46 HG2 GLU 46 -5.750 1.547 8.405 325 2HG GLU 46 HG1 GLU 46 -5.902 -0.203 8.257 326 H SER 47 HN SER 47 -2.612 -0.919 9.602 327 HA SER 47 HA SER 47 -1.637 0.071 7.019 328 1HB SER 47 HB2 SER 47 0.056 -0.515 8.795 329 2HB SER 47 HB1 SER 47 -0.458 -2.180 8.636 330 HG SER 47 HG SER 47 0.289 -0.759 6.342 331 H VAL 48 HN VAL 48 -1.123 -1.757 5.482 332 HA VAL 48 HA VAL 48 -3.236 -3.807 5.529 333 HB VAL 48 HB VAL 48 -2.376 -2.464 2.997 334 1HG1 VAL 48 HG11 VAL 48 -4.298 -3.472 2.038 335 2HG1 VAL 48 HG12 VAL 48 -4.905 -3.961 3.620 336 3HG1 VAL 48 HG13 VAL 48 -3.461 -4.724 2.955 337 1HG2 VAL 48 HG21 VAL 48 -4.266 -1.019 3.082 338 2HG2 VAL 48 HG22 VAL 48 -3.371 -0.814 4.588 339 3HG2 VAL 48 HG23 VAL 48 -4.848 -1.778 4.563 340 H ALA 49 HN ALA 49 -0.559 -2.934 3.353 341 HA ALA 49 HA ALA 49 0.625 -5.569 3.863 342 1HB ALA 49 HB1 ALA 49 0.674 -6.216 1.665 343 2HB ALA 49 HB2 ALA 49 0.602 -4.560 1.063 344 3HB ALA 49 HB3 ALA 49 -0.850 -5.329 1.703 345 H ALA 50 HN ALA 50 2.777 -5.576 4.045 346 HA ALA 50 HA ALA 50 4.253 -3.184 3.173 347 1HB ALA 50 HB1 ALA 50 5.667 -4.007 5.352 348 2HB ALA 50 HB2 ALA 50 4.005 -4.328 5.853 349 3HB ALA 50 HB3 ALA 50 4.478 -2.705 5.349 350 H ILE 51 HN ILE 51 6.333 -3.511 2.415 351 HA ILE 51 HA ILE 51 7.190 -6.316 2.165 352 HB ILE 51 HB ILE 51 6.226 -5.527 0.039 353 1HG1 ILE 51 HG12 ILE 51 9.123 -5.653 -0.587 354 2HG1 ILE 51 HG11 ILE 51 8.477 -6.970 0.388 355 1HG2 ILE 51 HG21 ILE 51 7.889 -3.215 0.603 356 2HG2 ILE 51 HG22 ILE 51 6.506 -3.379 -0.478 357 3HG2 ILE 51 HG23 ILE 51 8.118 -3.829 -1.034 358 1HD1 ILE 51 HD11 ILE 51 8.500 -7.429 -2.041 359 2HD1 ILE 51 HD12 ILE 51 7.349 -6.112 -2.264 360 3HD1 ILE 51 HD13 ILE 51 6.895 -7.529 -1.319 361 H ASN 52 HN ASN 52 9.411 -6.700 2.141 362 HA ASN 52 HA ASN 52 11.011 -4.538 3.293 363 1HB ASN 52 HB2 ASN 52 10.992 -6.556 4.592 364 2HB ASN 52 HB1 ASN 52 11.429 -7.526 3.198 365 1HD2 ASN 52 HD21 ASN 52 12.595 -4.831 5.172 366 2HD2 ASN 52 HD22 ASN 52 14.263 -5.276 5.102 367 H TRP 53 HN TRP 53 13.365 -4.599 2.682 368 HA TRP 53 HA TRP 53 13.569 -4.726 -0.250 369 1HB TRP 53 HB2 TRP 53 13.916 -2.535 1.122 370 2HB TRP 53 HB1 TRP 53 15.493 -3.223 1.495 371 HD1 TRP 53 HD1 TRP 53 17.337 -3.086 -0.348 372 HE1 TRP 53 HE1 TRP 53 17.440 -2.043 -2.699 373 HE3 TRP 53 HE3 TRP 53 12.368 -2.084 -1.011 374 HZ2 TRP 53 HZ2 TRP 53 15.652 -0.941 -4.585 375 HZ3 TRP 53 HZ3 TRP 53 11.647 -1.034 -3.116 376 HH2 TRP 53 HH2 TRP 53 13.256 -0.475 -4.865 377 H ASP 54 HN ASP 54 15.044 -5.762 2.740 378 HA ASP 54 HA ASP 54 17.513 -6.651 1.845 379 1HB ASP 54 HB2 ASP 54 16.012 -6.843 4.211 380 2HB ASP 54 HB1 ASP 54 16.409 -8.501 3.772 381 H SER 55 HN SER 55 14.896 -8.950 2.581 382 HA SER 55 HA SER 55 15.950 -10.711 0.511 383 1HB SER 55 HB2 SER 55 14.362 -11.065 2.972 384 2HB SER 55 HB1 SER 55 13.915 -12.124 1.635 385 HG SER 55 HG SER 55 15.544 -13.080 2.872 386 H ALA 56 HN ALA 56 12.548 -10.576 1.452 387 HA ALA 56 HA ALA 56 11.563 -9.172 -0.762 388 1HB ALA 56 HB1 ALA 56 12.109 -10.679 -2.354 389 2HB ALA 56 HB2 ALA 56 10.612 -11.441 -1.816 390 3HB ALA 56 HB3 ALA 56 12.165 -12.024 -1.215 391 H ARG 57 HN ARG 57 11.075 -11.624 1.684 392 HA ARG 57 HA ARG 57 8.449 -12.192 1.719 393 1HB ARG 57 HB2 ARG 57 9.527 -11.182 4.311 394 2HB ARG 57 HB1 ARG 57 8.583 -12.624 3.980 395 1HG ARG 57 HG2 ARG 57 10.563 -13.620 4.405 396 2HG ARG 57 HG1 ARG 57 10.815 -13.296 2.689 397 1HD ARG 57 HD2 ARG 57 12.577 -12.043 3.174 398 2HD ARG 57 HD1 ARG 57 11.568 -10.977 4.148 399 HE ARG 57 HE ARG 57 13.326 -13.068 5.092 400 1HH1 ARG 57 HH11 ARG 57 10.654 -10.955 5.867 401 2HH1 ARG 57 HH12 ARG 57 10.909 -11.057 7.576 402 1HH2 ARG 57 HH21 ARG 57 13.658 -13.201 7.338 403 2HH2 ARG 57 HH22 ARG 57 12.611 -12.333 8.411 404 H THR 58 HN THR 58 6.526 -11.296 2.594 405 HA THR 58 HA THR 58 6.551 -8.358 2.786 406 HB THR 58 HB THR 58 4.019 -9.534 1.936 407 HG1 THR 58 HG1 THR 58 4.880 -10.849 0.548 408 1HG2 THR 58 HG21 THR 58 3.927 -7.354 1.438 409 2HG2 THR 58 HG22 THR 58 4.736 -7.860 -0.045 410 3HG2 THR 58 HG23 THR 58 5.677 -7.204 1.293 411 H TYR 59 HN TYR 59 4.199 -7.713 3.662 412 HA TYR 59 HA TYR 59 3.502 -9.411 5.945 413 1HB TYR 59 HB2 TYR 59 5.082 -7.802 6.840 414 2HB TYR 59 HB1 TYR 59 4.204 -6.473 6.092 415 HD1 TYR 59 HD1 TYR 59 3.291 -5.155 7.754 416 HD2 TYR 59 HD2 TYR 59 3.076 -9.385 8.149 417 HE1 TYR 59 HE1 TYR 59 1.945 -4.890 9.795 418 HE2 TYR 59 HE2 TYR 59 1.729 -9.132 10.191 419 HH TYR 59 HH TYR 59 0.368 -6.140 11.136 420 H TYR 60 HN TYR 60 1.555 -9.918 4.919 421 HA TYR 60 HA TYR 60 -0.204 -7.856 3.970 422 1HB TYR 60 HB2 TYR 60 -0.592 -10.827 4.351 423 2HB TYR 60 HB1 TYR 60 -1.769 -9.759 3.608 424 HD1 TYR 60 HD1 TYR 60 -1.807 -9.675 1.304 425 HD2 TYR 60 HD2 TYR 60 1.854 -10.626 3.252 426 HE1 TYR 60 HE1 TYR 60 -0.734 -10.012 -0.883 427 HE2 TYR 60 HE2 TYR 60 2.935 -10.960 1.072 428 HH TYR 60 HH TYR 60 2.128 -9.861 -1.572 429 H ALA 61 HN ALA 61 -2.330 -7.458 4.797 430 HA ALA 61 HA ALA 61 -2.461 -7.754 7.716 431 1HB ALA 61 HB1 ALA 61 -3.627 -5.736 5.826 432 2HB ALA 61 HB2 ALA 61 -2.523 -5.477 7.177 433 3HB ALA 61 HB3 ALA 61 -4.207 -5.904 7.483 434 H SER 62 HN SER 62 -4.587 -8.105 8.690 435 HA SER 62 HA SER 62 -5.920 -10.292 7.477 436 1HB SER 62 HB2 SER 62 -7.183 -10.441 9.454 437 2HB SER 62 HB1 SER 62 -5.657 -9.746 9.998 438 HG SER 62 HG SER 62 -8.171 -8.539 9.718 439 H SER 63 HN SER 63 -8.122 -10.427 6.862 440 HA SER 63 HA SER 63 -10.141 -9.676 6.046 441 1HB SER 63 HB2 SER 63 -10.870 -7.506 6.295 442 2HB SER 63 HB1 SER 63 -9.584 -7.519 7.501 443 HG SER 63 HG SER 63 -9.703 -6.245 5.033 444 H VAL 64 HN VAL 64 -7.026 -9.138 4.861 445 HA VAL 64 HA VAL 64 -8.003 -9.322 2.132 446 HB VAL 64 HB VAL 64 -6.614 -7.507 1.294 447 1HG1 VAL 64 HG11 VAL 64 -9.008 -7.172 2.176 448 2HG1 VAL 64 HG12 VAL 64 -8.024 -5.744 1.859 449 3HG1 VAL 64 HG13 VAL 64 -8.238 -6.316 3.513 450 1HG2 VAL 64 HG21 VAL 64 -4.825 -7.031 2.577 451 2HG2 VAL 64 HG22 VAL 64 -5.644 -7.490 4.069 452 3HG2 VAL 64 HG23 VAL 64 -5.921 -5.896 3.366 453 H ARG 65 HN ARG 65 -6.276 -10.767 4.292 454 HA ARG 65 HA ARG 65 -3.723 -10.991 3.071 455 1HB ARG 65 HB2 ARG 65 -3.741 -11.277 5.400 456 2HB ARG 65 HB1 ARG 65 -5.124 -12.356 5.344 457 1HG ARG 65 HG2 ARG 65 -3.147 -13.595 5.887 458 2HG ARG 65 HG1 ARG 65 -3.720 -14.062 4.289 459 1HD ARG 65 HD2 ARG 65 -2.041 -12.163 3.532 460 2HD ARG 65 HD1 ARG 65 -1.281 -12.559 5.073 461 HE ARG 65 HE ARG 65 -1.320 -14.169 2.692 462 1HH1 ARG 65 HH11 ARG 65 -0.984 -14.204 6.165 463 2HH1 ARG 65 HH12 ARG 65 -0.092 -15.688 6.188 464 1HH2 ARG 65 HH21 ARG 65 -0.148 -16.121 2.720 465 2HH2 ARG 65 HH22 ARG 65 0.381 -16.777 4.233 466 H GLY 66 HN GLY 66 -4.299 -11.535 1.000 467 1HA GLY 66 HA2 GLY 66 -3.865 -13.832 -0.095 468 2HA GLY 66 HA1 GLY 66 -5.441 -14.200 0.583 469 H ARG 67 HN ARG 67 -5.772 -11.074 -0.102 470 HA ARG 67 HA ARG 67 -6.650 -11.622 -2.865 471 1HB ARG 67 HB2 ARG 67 -8.350 -9.789 -2.435 472 2HB ARG 67 HB1 ARG 67 -8.607 -11.305 -1.581 473 1HG ARG 67 HG2 ARG 67 -8.027 -10.402 0.466 474 2HG ARG 67 HG1 ARG 67 -7.126 -9.071 -0.262 475 1HD ARG 67 HD2 ARG 67 -8.940 -7.827 0.102 476 2HD ARG 67 HD1 ARG 67 -9.679 -8.711 -1.232 477 HE ARG 67 HE ARG 67 -10.063 -10.231 1.055 478 1HH1 ARG 67 HH11 ARG 67 -11.000 -7.094 -0.154 479 2HH1 ARG 67 HH12 ARG 67 -12.479 -7.051 0.745 480 1HH2 ARG 67 HH21 ARG 67 -12.010 -10.175 2.239 481 2HH2 ARG 67 HH22 ARG 67 -13.052 -8.798 2.106 482 H PHE 68 HN PHE 68 -5.230 -9.233 -0.691 483 HA PHE 68 HA PHE 68 -4.719 -7.419 -2.907 484 1HB PHE 68 HB2 PHE 68 -4.283 -7.231 0.070 485 2HB PHE 68 HB1 PHE 68 -3.633 -6.034 -1.043 486 HD1 PHE 68 HD1 PHE 68 -4.893 -4.233 -0.047 487 HD2 PHE 68 HD2 PHE 68 -6.875 -7.635 -1.666 488 HE1 PHE 68 HE1 PHE 68 -7.031 -3.017 0.014 489 HE2 PHE 68 HE2 PHE 68 -9.012 -6.425 -1.607 490 HZ PHE 68 HZ PHE 68 -9.097 -4.112 -0.767 491 H THR 69 HN THR 69 -3.203 -8.433 -4.176 492 HA THR 69 HA THR 69 -0.838 -9.631 -3.079 493 HB THR 69 HB THR 69 -1.570 -8.917 -5.930 494 HG1 THR 69 HG1 THR 69 -2.928 -10.486 -5.201 495 1HG2 THR 69 HG21 THR 69 0.179 -11.092 -5.908 496 2HG2 THR 69 HG22 THR 69 0.912 -9.876 -4.863 497 3HG2 THR 69 HG23 THR 69 0.484 -9.469 -6.525 498 H ILE 70 HN ILE 70 0.819 -8.565 -2.341 499 HA ILE 70 HA ILE 70 1.434 -5.902 -3.435 500 HB ILE 70 HB ILE 70 0.944 -5.750 -1.112 501 1HG1 ILE 70 HG12 ILE 70 3.673 -5.632 -0.389 502 2HG1 ILE 70 HG11 ILE 70 3.600 -5.224 -2.100 503 1HG2 ILE 70 HG21 ILE 70 2.882 -8.018 -0.709 504 2HG2 ILE 70 HG22 ILE 70 1.129 -8.077 -0.521 505 3HG2 ILE 70 HG23 ILE 70 2.104 -7.105 0.585 506 1HD1 ILE 70 HD11 ILE 70 3.414 -3.193 -0.960 507 2HD1 ILE 70 HD12 ILE 70 2.259 -3.852 0.199 508 3HD1 ILE 70 HD13 ILE 70 1.774 -3.585 -1.476 509 H SER 71 HN SER 71 3.339 -5.570 -4.436 510 HA SER 71 HA SER 71 5.621 -7.271 -3.931 511 1HB SER 71 HB2 SER 71 3.922 -8.146 -5.886 512 2HB SER 71 HB1 SER 71 5.045 -7.155 -6.817 513 HG SER 71 HG SER 71 6.738 -8.399 -6.053 514 H ARG 72 HN ARG 72 7.476 -6.610 -5.471 515 HA ARG 72 HA ARG 72 7.450 -3.675 -5.648 516 1HB ARG 72 HB2 ARG 72 9.138 -4.982 -4.181 517 2HB ARG 72 HB1 ARG 72 9.925 -5.374 -5.703 518 1HG ARG 72 HG2 ARG 72 9.957 -2.860 -6.135 519 2HG ARG 72 HG1 ARG 72 9.564 -2.688 -4.424 520 1HD ARG 72 HD2 ARG 72 12.004 -2.555 -4.963 521 2HD ARG 72 HD1 ARG 72 11.577 -3.780 -3.772 522 HE ARG 72 HE ARG 72 12.491 -4.236 -6.508 523 1HH1 ARG 72 HH11 ARG 72 11.377 -5.583 -3.481 524 2HH1 ARG 72 HH12 ARG 72 11.960 -7.172 -3.836 525 1HH2 ARG 72 HH21 ARG 72 13.250 -6.329 -6.970 526 2HH2 ARG 72 HH22 ARG 72 13.021 -7.597 -5.813 527 H ASP 73 HN ASP 73 8.472 -2.646 -7.441 528 HA ASP 73 HA ASP 73 8.115 -4.136 -9.917 529 1HB ASP 73 HB2 ASP 73 7.124 -1.848 -9.590 530 2HB ASP 73 HB1 ASP 73 8.763 -1.206 -9.580 531 H ASN 74 HN ASN 74 10.634 -2.708 -7.984 532 HA ASN 74 HA ASN 74 12.901 -2.803 -8.101 533 1HB ASN 74 HB2 ASN 74 12.176 -5.261 -8.759 534 2HB ASN 74 HB1 ASN 74 12.819 -4.791 -10.330 535 1HD2 ASN 74 HD21 ASN 74 15.001 -4.476 -10.577 536 2HD2 ASN 74 HD22 ASN 74 16.157 -4.925 -9.375 537 H ALA 75 HN ALA 75 11.302 -1.064 -9.906 538 HA ALA 75 HA ALA 75 13.291 -0.671 -12.035 539 1HB ALA 75 HB1 ALA 75 10.503 0.433 -12.113 540 2HB ALA 75 HB2 ALA 75 10.868 -1.203 -12.660 541 3HB ALA 75 HB3 ALA 75 11.630 0.180 -13.445 542 H LYS 76 HN LYS 76 11.438 0.849 -9.482 543 HA LYS 76 HA LYS 76 13.368 2.918 -9.163 544 1HB LYS 76 HB2 LYS 76 12.133 3.810 -11.111 545 2HB LYS 76 HB1 LYS 76 10.642 3.738 -10.183 546 1HG LYS 76 HG2 LYS 76 11.039 5.810 -9.517 547 2HG LYS 76 HG1 LYS 76 12.411 5.194 -8.595 548 1HD LYS 76 HD2 LYS 76 12.988 5.563 -11.436 549 2HD LYS 76 HD1 LYS 76 12.540 7.056 -10.610 550 1HE LYS 76 HE2 LYS 76 14.987 6.575 -10.605 551 2HE LYS 76 HE1 LYS 76 14.282 6.771 -9.000 552 1HZ LYS 76 HZ1 LYS 76 15.873 4.831 -9.388 553 2HZ LYS 76 HZ2 LYS 76 14.591 4.096 -10.210 554 3HZ LYS 76 HZ3 LYS 76 14.424 4.506 -8.578 555 H LYS 77 HN LYS 77 12.368 0.965 -7.474 556 HA LYS 77 HA LYS 77 11.591 0.665 -5.358 557 1HB LYS 77 HB2 LYS 77 11.454 3.671 -5.141 558 2HB LYS 77 HB1 LYS 77 11.674 2.504 -3.843 559 1HG LYS 77 HG2 LYS 77 13.830 3.088 -4.031 560 2HG LYS 77 HG1 LYS 77 13.824 1.937 -5.368 561 1HD LYS 77 HD2 LYS 77 14.340 3.561 -6.795 562 2HD LYS 77 HD1 LYS 77 12.890 4.453 -6.332 563 1HE LYS 77 HE2 LYS 77 14.023 5.838 -4.946 564 2HE LYS 77 HE1 LYS 77 15.159 4.585 -4.447 565 1HZ LYS 77 HZ1 LYS 77 16.562 5.792 -5.704 566 2HZ LYS 77 HZ2 LYS 77 15.334 6.479 -6.643 567 3HZ LYS 77 HZ3 LYS 77 15.881 4.915 -6.981 568 H THR 78 HN THR 78 9.707 0.585 -7.416 569 HA THR 78 HA THR 78 7.358 1.986 -6.377 570 HB THR 78 HB THR 78 7.755 0.387 -8.914 571 HG1 THR 78 HG1 THR 78 7.667 3.150 -8.344 572 1HG2 THR 78 HG21 THR 78 5.331 1.654 -7.759 573 2HG2 THR 78 HG22 THR 78 5.496 0.173 -8.703 574 3HG2 THR 78 HG23 THR 78 5.590 1.744 -9.501 575 H VAL 79 HN VAL 79 5.463 0.914 -5.798 576 HA VAL 79 HA VAL 79 5.744 -1.973 -5.285 577 HB VAL 79 HB VAL 79 4.441 -1.722 -3.251 578 1HG1 VAL 79 HG11 VAL 79 6.112 -0.726 -1.865 579 2HG1 VAL 79 HG12 VAL 79 6.721 0.245 -3.206 580 3HG1 VAL 79 HG13 VAL 79 6.929 -1.507 -3.219 581 1HG2 VAL 79 HG21 VAL 79 4.194 1.075 -4.202 582 2HG2 VAL 79 HG22 VAL 79 4.316 0.815 -2.462 583 3HG2 VAL 79 HG23 VAL 79 3.018 0.050 -3.380 584 H TYR 80 HN TYR 80 4.125 -3.231 -5.998 585 HA TYR 80 HA TYR 80 1.740 -1.880 -7.065 586 1HB TYR 80 HB2 TYR 80 3.054 -4.441 -7.976 587 2HB TYR 80 HB1 TYR 80 1.557 -3.794 -8.632 588 HD1 TYR 80 HD1 TYR 80 4.572 -4.339 -9.713 589 HD2 TYR 80 HD2 TYR 80 2.182 -0.933 -8.834 590 HE1 TYR 80 HE1 TYR 80 5.861 -3.023 -11.338 591 HE2 TYR 80 HE2 TYR 80 3.466 0.392 -10.457 592 HH TYR 80 HH TYR 80 6.292 -0.228 -11.507 593 H LEU 81 HN LEU 81 -0.008 -2.179 -5.892 594 HA LEU 81 HA LEU 81 -0.299 -4.694 -4.403 595 1HB LEU 81 HB2 LEU 81 -0.363 -3.259 -2.676 596 2HB LEU 81 HB1 LEU 81 -0.703 -1.885 -3.701 597 HG LEU 81 HG LEU 81 -3.088 -3.404 -3.590 598 1HD1 LEU 81 HD11 LEU 81 -2.373 -2.752 -0.793 599 2HD1 LEU 81 HD12 LEU 81 -1.747 -4.255 -1.469 600 3HD1 LEU 81 HD13 LEU 81 -3.485 -3.964 -1.428 601 1HD2 LEU 81 HD21 LEU 81 -2.907 -1.067 -1.845 602 2HD2 LEU 81 HD22 LEU 81 -3.956 -1.373 -3.227 603 3HD2 LEU 81 HD23 LEU 81 -2.313 -0.787 -3.482 604 H GLN 82 HN GLN 82 -1.503 -5.988 -5.651 605 HA GLN 82 HA GLN 82 -3.696 -4.976 -7.235 606 1HB GLN 82 HB2 GLN 82 -1.998 -6.882 -7.800 607 2HB GLN 82 HB1 GLN 82 -3.104 -7.871 -6.864 608 1HG GLN 82 HG2 GLN 82 -4.929 -7.277 -8.350 609 2HG GLN 82 HG1 GLN 82 -3.841 -6.253 -9.286 610 1HE2 GLN 82 HE21 GLN 82 -4.648 -9.536 -8.413 611 2HE2 GLN 82 HE22 GLN 82 -3.814 -10.297 -9.722 612 H MET 83 HN MET 83 -5.374 -4.369 -5.937 613 HA MET 83 HA MET 83 -6.230 -6.038 -3.746 614 1HB MET 83 HB2 MET 83 -7.742 -3.681 -4.832 615 2HB MET 83 HB1 MET 83 -7.737 -4.319 -3.196 616 1HG MET 83 HG2 MET 83 -5.998 -3.101 -2.601 617 2HG MET 83 HG1 MET 83 -5.110 -3.477 -4.072 618 1HE MET 83 HE1 MET 83 -7.536 -0.182 -2.666 619 2HE MET 83 HE2 MET 83 -8.099 -1.854 -2.693 620 3HE MET 83 HE3 MET 83 -8.613 -0.729 -3.951 621 H ASN 84 HN ASN 84 -6.867 -7.972 -4.781 622 HA ASN 84 HA ASN 84 -9.002 -7.846 -6.738 623 1HB ASN 84 HB2 ASN 84 -8.285 -10.510 -5.787 624 2HB ASN 84 HB1 ASN 84 -8.297 -9.857 -7.413 625 1HD2 ASN 84 HD21 ASN 84 -6.375 -11.523 -5.732 626 2HD2 ASN 84 HD22 ASN 84 -4.846 -10.765 -5.999 627 H SER 85 HN SER 85 -10.703 -9.693 -6.388 628 HA SER 85 HA SER 85 -12.741 -9.948 -5.321 629 1HB SER 85 HB2 SER 85 -10.889 -11.701 -4.511 630 2HB SER 85 HB1 SER 85 -11.264 -10.966 -2.953 631 HG SER 85 HG SER 85 -12.857 -12.349 -2.998 632 H LEU 86 HN LEU 86 -12.173 -7.325 -5.003 633 HA LEU 86 HA LEU 86 -11.959 -6.398 -2.363 634 1HB LEU 86 HB2 LEU 86 -12.347 -5.277 -4.950 635 2HB LEU 86 HB1 LEU 86 -13.550 -4.584 -3.877 636 HG LEU 86 HG LEU 86 -11.581 -4.102 -2.289 637 1HD1 LEU 86 HD11 LEU 86 -9.595 -4.855 -2.913 638 2HD1 LEU 86 HD12 LEU 86 -9.628 -3.701 -4.246 639 3HD1 LEU 86 HD13 LEU 86 -10.215 -5.346 -4.487 640 1HD2 LEU 86 HD21 LEU 86 -11.799 -2.003 -3.001 641 2HD2 LEU 86 HD22 LEU 86 -12.805 -2.641 -4.301 642 3HD2 LEU 86 HD23 LEU 86 -11.081 -2.381 -4.567 643 H LYS 87 HN LYS 87 -13.674 -5.154 -1.220 644 HA LYS 87 HA LYS 87 -16.340 -6.347 -1.519 645 1HB LYS 87 HB2 LYS 87 -14.634 -6.273 0.959 646 2HB LYS 87 HB1 LYS 87 -16.384 -6.381 1.062 647 1HG LYS 87 HG2 LYS 87 -14.520 -8.352 -0.239 648 2HG LYS 87 HG1 LYS 87 -15.453 -8.579 1.241 649 1HD LYS 87 HD2 LYS 87 -17.530 -8.268 -0.133 650 2HD LYS 87 HD1 LYS 87 -16.506 -8.301 -1.570 651 1HE LYS 87 HE2 LYS 87 -15.640 -10.536 -0.425 652 2HE LYS 87 HE1 LYS 87 -17.249 -10.490 0.293 653 1HZ LYS 87 HZ1 LYS 87 -16.789 -11.631 -2.021 654 2HZ LYS 87 HZ2 LYS 87 -17.044 -10.058 -2.590 655 3HZ LYS 87 HZ3 LYS 87 -18.249 -10.840 -1.697 656 HA PRO 88 HA PRO 88 -17.829 -2.260 -0.825 657 1HB PRO 88 HB2 PRO 88 -20.094 -2.613 0.599 658 2HB PRO 88 HB1 PRO 88 -19.952 -3.105 -1.093 659 1HG PRO 88 HG2 PRO 88 -19.721 -4.768 1.387 660 2HG PRO 88 HG1 PRO 88 -20.577 -5.127 -0.124 661 1HD PRO 88 HD2 PRO 88 -18.126 -6.139 0.458 662 2HD PRO 88 HD1 PRO 88 -18.655 -5.794 -1.200 663 H GLU 89 HN GLU 89 -16.322 -3.820 1.581 664 HA GLU 89 HA GLU 89 -16.856 -1.698 3.548 665 1HB GLU 89 HB2 GLU 89 -16.799 -4.556 3.833 666 2HB GLU 89 HB1 GLU 89 -15.531 -3.847 4.822 667 1HG GLU 89 HG2 GLU 89 -18.164 -2.542 4.985 668 2HG GLU 89 HG1 GLU 89 -18.068 -4.177 5.636 669 H ASP 90 HN ASP 90 -14.756 -2.309 1.229 670 HA ASP 90 HA ASP 90 -12.319 -1.918 2.786 671 1HB ASP 90 HB2 ASP 90 -12.912 -2.735 -0.027 672 2HB ASP 90 HB1 ASP 90 -11.357 -1.998 0.328 673 H THR 91 HN THR 91 -14.676 -0.017 1.348 674 HA THR 91 HA THR 91 -13.290 2.003 0.060 675 HB THR 91 HB THR 91 -15.784 2.142 1.752 676 HG1 THR 91 HG1 THR 91 -15.653 0.713 -0.173 677 1HG2 THR 91 HG21 THR 91 -16.418 4.099 0.498 678 2HG2 THR 91 HG22 THR 91 -14.906 4.044 -0.408 679 3HG2 THR 91 HG23 THR 91 -14.886 4.389 1.322 680 H ALA 92 HN ALA 92 -11.632 3.156 0.814 681 HA ALA 92 HA ALA 92 -11.860 4.778 3.133 682 1HB ALA 92 HB1 ALA 92 -9.567 3.092 3.683 683 2HB ALA 92 HB2 ALA 92 -11.080 2.186 3.704 684 3HB ALA 92 HB3 ALA 92 -10.882 3.595 4.746 685 H VAL 93 HN VAL 93 -9.321 5.405 3.752 686 HA VAL 93 HA VAL 93 -8.287 6.459 1.226 687 HB VAL 93 HB VAL 93 -7.677 7.186 4.093 688 1HG1 VAL 93 HG11 VAL 93 -5.756 8.011 3.294 689 2HG1 VAL 93 HG12 VAL 93 -6.746 9.241 2.507 690 3HG1 VAL 93 HG13 VAL 93 -6.264 7.796 1.619 691 1HG2 VAL 93 HG21 VAL 93 -8.886 9.220 3.656 692 2HG2 VAL 93 HG22 VAL 93 -9.911 7.845 3.247 693 3HG2 VAL 93 HG23 VAL 93 -9.118 8.765 1.968 694 H TYR 94 HN TYR 94 -6.956 4.964 0.301 695 HA TYR 94 HA TYR 94 -5.200 3.343 1.904 696 1HB TYR 94 HB2 TYR 94 -5.968 3.518 -0.977 697 2HB TYR 94 HB1 TYR 94 -4.496 2.683 -0.539 698 HD1 TYR 94 HD1 TYR 94 -4.571 0.455 0.240 699 HD2 TYR 94 HD2 TYR 94 -8.145 2.760 0.092 700 HE1 TYR 94 HE1 TYR 94 -5.887 -1.561 0.749 701 HE2 TYR 94 HE2 TYR 94 -9.469 0.752 0.602 702 HH TYR 94 HH TYR 94 -8.995 -1.914 0.208 703 H THR 95 HN THR 95 -3.568 4.546 2.769 704 HA THR 95 HA THR 95 -1.991 6.222 0.937 705 HB THR 95 HB THR 95 -2.024 6.199 3.961 706 HG1 THR 95 HG1 THR 95 -3.070 8.135 2.178 707 1HG2 THR 95 HG21 THR 95 -0.557 7.907 1.988 708 2HG2 THR 95 HG22 THR 95 0.071 7.047 3.394 709 3HG2 THR 95 HG23 THR 95 -0.941 8.474 3.614 710 H CYS 96 HN CYS 96 0.018 5.655 0.393 711 HA CYS 96 HA CYS 96 1.151 3.263 1.655 712 1HB CYS 96 HB2 CYS 96 2.788 3.536 -0.398 713 2HB CYS 96 HB1 CYS 96 1.202 2.807 -0.600 714 H GLY 97 HN GLY 97 3.294 3.207 2.409 715 1HA GLY 97 HA2 GLY 97 4.880 5.625 2.393 716 2HA GLY 97 HA1 GLY 97 4.194 5.228 3.959 717 H ALA 98 HN ALA 98 6.577 5.238 4.430 718 HA ALA 98 HA ALA 98 7.612 2.501 4.155 719 1HB ALA 98 HB1 ALA 98 9.353 4.945 3.931 720 2HB ALA 98 HB2 ALA 98 8.733 4.055 2.541 721 3HB ALA 98 HB3 ALA 98 9.816 3.262 3.684 722 H GLY 99 HN GLY 99 9.535 2.209 5.699 723 1HA GLY 99 HA2 GLY 99 9.224 3.773 8.158 724 2HA GLY 99 HA1 GLY 99 8.870 2.055 8.247 725 H GLU 100 HN GLU 100 10.746 2.887 9.913 726 HA GLU 100 HA GLU 100 13.089 1.510 8.977 727 1HB GLU 100 HB2 GLU 100 13.078 4.482 9.316 728 2HB GLU 100 HB1 GLU 100 14.523 3.579 9.749 729 1HG GLU 100 HG2 GLU 100 14.412 2.565 7.430 730 2HG GLU 100 HG1 GLU 100 13.207 3.799 7.063 731 H GLY 101 HN GLY 101 14.391 0.777 10.647 732 1HA GLY 101 HA2 GLY 101 14.913 0.145 12.774 733 2HA GLY 101 HA1 GLY 101 14.370 1.737 13.279 734 H GLY 102 HN GLY 102 12.034 -0.124 11.609 735 1HA GLY 102 HA2 GLY 102 10.452 -1.668 12.483 736 2HA GLY 102 HA1 GLY 102 10.920 -1.185 14.105 737 H THR 103 HN THR 103 10.704 1.661 12.559 738 HA THR 103 HA THR 103 7.903 2.017 13.361 739 HB THR 103 HB THR 103 9.960 4.158 12.925 740 HG1 THR 103 HG1 THR 103 10.363 4.030 15.165 741 1HG2 THR 103 HG21 THR 103 8.462 5.035 14.965 742 2HG2 THR 103 HG22 THR 103 7.261 4.086 14.089 743 3HG2 THR 103 HG23 THR 103 8.115 5.396 13.274 744 H TRP 104 HN TRP 104 7.007 4.084 12.114 745 HA TRP 104 HA TRP 104 7.678 3.932 9.272 746 1HB TRP 104 HB2 TRP 104 4.899 3.582 10.414 747 2HB TRP 104 HB1 TRP 104 5.242 3.856 8.708 748 HD1 TRP 104 HD1 TRP 104 5.773 1.210 11.459 749 HE1 TRP 104 HE1 TRP 104 6.111 -1.076 10.325 750 HE3 TRP 104 HE3 TRP 104 5.897 2.734 6.580 751 HZ2 TRP 104 HZ2 TRP 104 6.393 -2.098 7.709 752 HZ3 TRP 104 HZ3 TRP 104 6.205 1.039 4.823 753 HH2 TRP 104 HH2 TRP 104 6.448 -1.327 5.377 754 H ASP 105 HN ASP 105 8.354 5.962 8.944 755 HA ASP 105 HA ASP 105 6.643 8.150 9.919 756 1HB ASP 105 HB2 ASP 105 8.477 9.005 10.866 757 2HB ASP 105 HB1 ASP 105 9.455 7.699 10.211 758 H SER 106 HN SER 106 7.749 6.560 7.140 759 HA SER 106 HA SER 106 7.492 8.915 5.441 760 1HB SER 106 HB2 SER 106 8.848 6.369 5.247 761 2HB SER 106 HB1 SER 106 7.837 6.638 3.829 762 HG SER 106 HG SER 106 10.001 8.153 4.789 763 H TRP 107 HN TRP 107 5.760 9.342 4.197 764 HA TRP 107 HA TRP 107 3.767 7.267 3.725 765 1HB TRP 107 HB2 TRP 107 2.971 9.947 4.859 766 2HB TRP 107 HB1 TRP 107 1.935 8.561 4.562 767 HD1 TRP 107 HD1 TRP 107 4.588 9.831 7.009 768 HE1 TRP 107 HE1 TRP 107 4.434 8.450 9.176 769 HE3 TRP 107 HE3 TRP 107 1.202 6.320 5.489 770 HZ2 TRP 107 HZ2 TRP 107 3.056 6.170 10.115 771 HZ3 TRP 107 HZ3 TRP 107 0.517 4.574 7.081 772 HH2 TRP 107 HH2 TRP 107 1.426 4.500 9.345 773 H GLY 108 HN GLY 108 2.072 8.014 2.185 774 1HA GLY 108 HA2 GLY 108 3.309 9.791 0.184 775 2HA GLY 108 HA1 GLY 108 2.173 8.499 -0.176 776 H GLN 109 HN GLN 109 1.146 10.269 -1.423 777 HA GLN 109 HA GLN 109 -0.137 12.400 -0.010 778 1HB GLN 109 HB2 GLN 109 0.558 12.275 -2.500 779 2HB GLN 109 HB1 GLN 109 -0.971 11.440 -2.725 780 1HG GLN 109 HG2 GLN 109 -2.195 13.308 -2.428 781 2HG GLN 109 HG1 GLN 109 -1.090 13.973 -1.226 782 1HE2 GLN 109 HE21 GLN 109 -1.064 15.999 -2.161 783 2HE2 GLN 109 HE22 GLN 109 -0.266 16.324 -3.659 784 H GLY 110 HN GLY 110 -0.977 9.153 -0.933 785 1HA GLY 110 HA2 GLY 110 -2.665 7.912 0.179 786 2HA GLY 110 HA1 GLY 110 -3.477 9.419 0.572 787 H THR 111 HN THR 111 -4.605 7.018 -0.603 788 HA THR 111 HA THR 111 -5.880 8.280 -2.892 789 HB THR 111 HB THR 111 -4.184 7.082 -4.057 790 HG1 THR 111 HG1 THR 111 -6.433 5.360 -4.026 791 1HG2 THR 111 HG21 THR 111 -3.893 4.617 -3.763 792 2HG2 THR 111 HG22 THR 111 -4.822 4.754 -2.271 793 3HG2 THR 111 HG23 THR 111 -3.290 5.610 -2.437 794 H GLN 112 HN GLN 112 -7.978 8.192 -2.381 795 HA GLN 112 HA GLN 112 -8.965 6.217 -0.559 796 1HB GLN 112 HB2 GLN 112 -9.654 8.804 -1.249 797 2HB GLN 112 HB1 GLN 112 -10.954 7.844 -1.919 798 1HG GLN 112 HG2 GLN 112 -10.242 7.077 0.798 799 2HG GLN 112 HG1 GLN 112 -10.768 8.752 0.662 800 1HE2 GLN 112 HE21 GLN 112 -11.859 6.075 -1.324 801 2HE2 GLN 112 HE22 GLN 112 -13.484 6.076 -0.771 802 H VAL 113 HN VAL 113 -10.378 4.570 -0.958 803 HA VAL 113 HA VAL 113 -10.810 3.869 -3.782 804 HB VAL 113 HB VAL 113 -10.409 2.126 -1.355 805 1HG1 VAL 113 HG11 VAL 113 -12.071 0.953 -2.498 806 2HG1 VAL 113 HG12 VAL 113 -10.578 0.245 -3.115 807 3HG1 VAL 113 HG13 VAL 113 -11.456 1.432 -4.080 808 1HG2 VAL 113 HG21 VAL 113 -8.858 1.747 -3.840 809 2HG2 VAL 113 HG22 VAL 113 -8.351 1.636 -2.154 810 3HG2 VAL 113 HG23 VAL 113 -8.528 3.215 -2.920 811 H THR 114 HN THR 114 -12.875 3.603 -4.439 812 HA THR 114 HA THR 114 -14.971 3.727 -2.388 813 HB THR 114 HB THR 114 -15.021 4.593 -5.282 814 HG1 THR 114 HG1 THR 114 -14.379 6.395 -4.466 815 1HG2 THR 114 HG21 THR 114 -17.200 5.005 -3.255 816 2HG2 THR 114 HG22 THR 114 -17.224 3.725 -4.468 817 3HG2 THR 114 HG23 THR 114 -17.218 5.415 -4.971 818 H VAL 115 HN VAL 115 -16.432 2.134 -2.225 819 HA VAL 115 HA VAL 115 -16.756 0.237 -4.417 820 HB VAL 115 HB VAL 115 -16.533 -0.871 -1.647 821 1HG1 VAL 115 HG11 VAL 115 -17.230 -2.566 -2.978 822 2HG1 VAL 115 HG12 VAL 115 -15.498 -2.724 -3.268 823 3HG1 VAL 115 HG13 VAL 115 -16.511 -1.869 -4.431 824 1HG2 VAL 115 HG21 VAL 115 -14.095 -1.446 -2.385 825 2HG2 VAL 115 HG22 VAL 115 -14.443 0.110 -1.630 826 3HG2 VAL 115 HG23 VAL 115 -14.261 0.000 -3.381 827 H SER 116 HN SER 116 -18.617 -1.264 -3.928 828 HA SER 116 HA SER 116 -20.559 -0.502 -1.997 829 1HB SER 116 HB2 SER 116 -22.284 0.278 -3.630 830 2HB SER 116 HB1 SER 116 -20.921 1.384 -3.461 831 HG SER 116 HG SER 116 -20.807 1.205 -5.550 832 H SER 117 HN SER 117 -20.317 -1.874 -5.260 833 HA SER 117 HA SER 117 -20.836 -3.942 -6.075 834 1HB SER 117 HB2 SER 117 -19.880 -4.644 -3.748 835 2HB SER 117 HB1 SER 117 -21.570 -4.923 -3.332 836 HG SER 117 HG SER 117 -20.430 -6.776 -4.212 Start of MODEL 16 1 1H GLN 1 HT1 GLN 1 12.849 12.808 5.313 2 2H GLN 1 HT2 GLN 1 12.680 11.176 4.811 3 3H GLN 1 HT3 GLN 1 11.812 12.418 4.005 4 HA GLN 1 HA GLN 1 14.044 13.399 3.482 5 1HB GLN 1 HB2 GLN 1 15.141 11.847 5.165 6 2HB GLN 1 HB1 GLN 1 14.885 10.547 4.010 7 1HG GLN 1 HG2 GLN 1 16.122 12.232 2.392 8 2HG GLN 1 HG1 GLN 1 16.774 12.828 3.917 9 1HE2 GLN 1 HE21 GLN 1 16.086 9.680 2.420 10 2HE2 GLN 1 HE22 GLN 1 17.607 8.965 2.821 11 H VAL 2 HN VAL 2 12.187 10.495 2.971 12 HA VAL 2 HA VAL 2 12.806 10.598 0.097 13 HB VAL 2 HB VAL 2 11.364 8.275 0.469 14 1HG1 VAL 2 HG11 VAL 2 13.100 7.935 -0.919 15 2HG1 VAL 2 HG12 VAL 2 13.909 7.363 0.540 16 3HG1 VAL 2 HG13 VAL 2 14.165 9.015 -0.020 17 1HG2 VAL 2 HG21 VAL 2 13.340 8.438 2.738 18 2HG2 VAL 2 HG22 VAL 2 12.286 7.085 2.328 19 3HG2 VAL 2 HG23 VAL 2 11.594 8.590 2.935 20 H GLN 3 HN GLN 3 11.066 10.334 -1.410 21 HA GLN 3 HA GLN 3 8.544 11.445 -0.391 22 1HB GLN 3 HB2 GLN 3 10.082 11.767 -2.890 23 2HB GLN 3 HB1 GLN 3 8.339 11.663 -3.092 24 1HG GLN 3 HG2 GLN 3 8.048 13.515 -1.524 25 2HG GLN 3 HG1 GLN 3 9.798 13.623 -1.335 26 1HE2 GLN 3 HE21 GLN 3 7.238 14.967 -2.836 27 2HE2 GLN 3 HE22 GLN 3 8.020 15.654 -4.215 28 H LEU 4 HN LEU 4 6.539 10.711 -1.450 29 HA LEU 4 HA LEU 4 6.629 8.066 -2.655 30 1HB LEU 4 HB2 LEU 4 5.313 8.659 -0.014 31 2HB LEU 4 HB1 LEU 4 4.836 7.298 -1.012 32 HG LEU 4 HG LEU 4 7.615 7.075 -0.791 33 1HD1 LEU 4 HD11 LEU 4 6.362 8.033 1.756 34 2HD1 LEU 4 HD12 LEU 4 7.874 8.537 1.002 35 3HD1 LEU 4 HD13 LEU 4 7.756 6.953 1.767 36 1HD2 LEU 4 HD21 LEU 4 5.936 5.542 1.091 37 2HD2 LEU 4 HD22 LEU 4 7.110 4.984 -0.101 38 3HD2 LEU 4 HD23 LEU 4 5.488 5.450 -0.612 39 H GLN 5 HN GLN 5 4.992 7.714 -4.064 40 HA GLN 5 HA GLN 5 2.712 9.567 -4.041 41 1HB GLN 5 HB2 GLN 5 4.729 9.930 -5.788 42 2HB GLN 5 HB1 GLN 5 3.768 8.770 -6.694 43 1HG GLN 5 HG2 GLN 5 1.890 10.574 -5.829 44 2HG GLN 5 HG1 GLN 5 3.292 11.589 -6.164 45 1HE2 GLN 5 HE21 GLN 5 3.397 12.332 -8.147 46 2HE2 GLN 5 HE22 GLN 5 2.739 11.583 -9.558 47 H GLU 6 HN GLU 6 0.972 8.791 -5.615 48 HA GLU 6 HA GLU 6 0.851 5.848 -5.612 49 1HB GLU 6 HB2 GLU 6 -1.695 7.355 -5.392 50 2HB GLU 6 HB1 GLU 6 -1.236 5.813 -4.689 51 1HG GLU 6 HG2 GLU 6 -0.349 8.517 -3.710 52 2HG GLU 6 HG1 GLU 6 -1.611 7.520 -2.988 53 H SER 7 HN SER 7 -0.771 4.979 -7.173 54 HA SER 7 HA SER 7 -1.663 6.613 -9.333 55 1HB SER 7 HB2 SER 7 0.916 5.140 -9.593 56 2HB SER 7 HB1 SER 7 -0.172 5.142 -10.981 57 HG SER 7 HG SER 7 0.617 7.041 -11.370 58 H GLY 8 HN GLY 8 -3.438 5.686 -10.116 59 1HA GLY 8 HA2 GLY 8 -4.420 3.732 -11.216 60 2HA GLY 8 HA1 GLY 8 -3.640 2.741 -9.993 61 H GLY 9 HN GLY 9 -4.347 4.611 -7.828 62 1HA GLY 9 HA2 GLY 9 -6.616 3.442 -6.851 63 2HA GLY 9 HA1 GLY 9 -6.046 5.025 -6.355 64 H GLY 10 HN GLY 10 -8.750 3.792 -6.888 65 1HA GLY 10 HA2 GLY 10 -10.100 6.075 -7.713 66 2HA GLY 10 HA1 GLY 10 -9.892 5.069 -9.138 67 H LEU 11 HN LEU 11 -12.375 5.530 -8.553 68 HA LEU 11 HA LEU 11 -13.579 3.847 -6.663 69 1HB LEU 11 HB2 LEU 11 -14.824 5.025 -9.134 70 2HB LEU 11 HB1 LEU 11 -15.667 4.458 -7.701 71 HG LEU 11 HG LEU 11 -13.846 6.316 -6.741 72 1HD1 LEU 11 HD11 LEU 11 -14.755 8.317 -8.203 73 2HD1 LEU 11 HD12 LEU 11 -14.831 7.065 -9.443 74 3HD1 LEU 11 HD13 LEU 11 -13.297 7.433 -8.655 75 1HD2 LEU 11 HD21 LEU 11 -15.685 7.156 -5.761 76 2HD2 LEU 11 HD22 LEU 11 -16.500 5.773 -6.489 77 3HD2 LEU 11 HD23 LEU 11 -16.539 7.341 -7.293 78 H VAL 12 HN VAL 12 -14.638 1.884 -6.897 79 HA VAL 12 HA VAL 12 -14.684 0.535 -9.455 80 HB VAL 12 HB VAL 12 -12.415 0.044 -8.726 81 1HG1 VAL 12 HG11 VAL 12 -13.240 -1.601 -6.429 82 2HG1 VAL 12 HG12 VAL 12 -13.349 0.143 -6.195 83 3HG1 VAL 12 HG13 VAL 12 -11.811 -0.592 -6.650 84 1HG2 VAL 12 HG21 VAL 12 -13.739 -1.665 -9.941 85 2HG2 VAL 12 HG22 VAL 12 -14.169 -2.385 -8.390 86 3HG2 VAL 12 HG23 VAL 12 -12.485 -2.355 -8.911 87 H GLN 13 HN GLN 13 -16.495 -0.630 -9.573 88 HA GLN 13 HA GLN 13 -18.337 -0.808 -7.491 89 1HB GLN 13 HB2 GLN 13 -18.095 -1.852 -10.208 90 2HB GLN 13 HB1 GLN 13 -19.090 -2.826 -9.143 91 1HG GLN 13 HG2 GLN 13 -19.983 -0.300 -8.618 92 2HG GLN 13 HG1 GLN 13 -19.616 -0.226 -10.341 93 1HE2 GLN 13 HE21 GLN 13 -22.194 -0.032 -9.179 94 2HE2 GLN 13 HE22 GLN 13 -23.127 -1.373 -9.742 95 H ALA 14 HN ALA 14 -19.163 -2.670 -6.376 96 HA ALA 14 HA ALA 14 -17.329 -4.098 -4.931 97 1HB ALA 14 HB1 ALA 14 -19.753 -5.638 -5.270 98 2HB ALA 14 HB2 ALA 14 -20.097 -3.925 -5.029 99 3HB ALA 14 HB3 ALA 14 -19.135 -4.806 -3.843 100 H GLY 15 HN GLY 15 -16.125 -5.887 -5.215 101 1HA GLY 15 HA2 GLY 15 -15.529 -7.975 -6.079 102 2HA GLY 15 HA1 GLY 15 -16.842 -7.845 -7.239 103 H GLY 16 HN GLY 16 -15.161 -4.982 -7.316 104 1HA GLY 16 HA2 GLY 16 -13.783 -5.822 -9.758 105 2HA GLY 16 HA1 GLY 16 -14.137 -4.167 -9.287 106 H SER 17 HN SER 17 -11.706 -6.322 -9.696 107 HA SER 17 HA SER 17 -10.055 -5.777 -7.453 108 1HB SER 17 HB2 SER 17 -8.949 -6.582 -10.098 109 2HB SER 17 HB1 SER 17 -8.481 -7.114 -8.490 110 HG SER 17 HG SER 17 -10.628 -8.141 -8.442 111 H LEU 18 HN LEU 18 -8.432 -4.302 -7.178 112 HA LEU 18 HA LEU 18 -7.912 -2.405 -9.350 113 1HB LEU 18 HB2 LEU 18 -9.569 -1.359 -7.914 114 2HB LEU 18 HB1 LEU 18 -8.581 -1.677 -6.500 115 HG LEU 18 HG LEU 18 -6.834 -0.247 -7.980 116 1HD1 LEU 18 HD11 LEU 18 -9.582 0.509 -8.859 117 2HD1 LEU 18 HD12 LEU 18 -8.091 0.398 -9.794 118 3HD1 LEU 18 HD13 LEU 18 -8.347 1.757 -8.700 119 1HD2 LEU 18 HD21 LEU 18 -7.246 0.258 -5.705 120 2HD2 LEU 18 HD22 LEU 18 -8.926 0.687 -6.029 121 3HD2 LEU 18 HD23 LEU 18 -7.623 1.725 -6.610 122 H ARG 19 HN ARG 19 -5.813 -2.015 -9.636 123 HA ARG 19 HA ARG 19 -3.936 -2.951 -7.566 124 1HB ARG 19 HB2 ARG 19 -3.920 -3.998 -9.884 125 2HB ARG 19 HB1 ARG 19 -3.302 -2.461 -10.471 126 1HG ARG 19 HG2 ARG 19 -1.611 -2.989 -8.397 127 2HG ARG 19 HG1 ARG 19 -1.946 -4.604 -9.023 128 1HD ARG 19 HD2 ARG 19 -1.496 -2.814 -11.210 129 2HD ARG 19 HD1 ARG 19 -0.173 -2.666 -10.054 130 HE ARG 19 HE ARG 19 0.536 -4.749 -10.663 131 1HH1 ARG 19 HH11 ARG 19 -2.766 -4.345 -11.718 132 2HH1 ARG 19 HH12 ARG 19 -2.801 -5.838 -12.594 133 1HH2 ARG 19 HH21 ARG 19 0.493 -6.712 -11.818 134 2HH2 ARG 19 HH22 ARG 19 -0.949 -7.180 -12.655 135 H LEU 20 HN LEU 20 -2.927 -1.399 -6.443 136 HA LEU 20 HA LEU 20 -2.720 1.281 -7.598 137 1HB LEU 20 HB2 LEU 20 -2.102 0.571 -4.748 138 2HB LEU 20 HB1 LEU 20 -2.546 2.130 -5.414 139 HG LEU 20 HG LEU 20 -4.420 -0.227 -5.219 140 1HD1 LEU 20 HD11 LEU 20 -4.568 0.263 -3.056 141 2HD1 LEU 20 HD12 LEU 20 -5.317 1.784 -3.540 142 3HD1 LEU 20 HD13 LEU 20 -3.581 1.712 -3.239 143 1HD2 LEU 20 HD21 LEU 20 -4.595 2.491 -6.358 144 2HD2 LEU 20 HD22 LEU 20 -5.987 1.931 -5.432 145 3HD2 LEU 20 HD23 LEU 20 -5.423 1.005 -6.823 146 H SER 21 HN SER 21 -0.808 2.267 -7.915 147 HA SER 21 HA SER 21 1.619 0.678 -7.402 148 1HB SER 21 HB2 SER 21 1.270 2.684 -9.633 149 2HB SER 21 HB1 SER 21 2.573 1.515 -9.429 150 HG SER 21 HG SER 21 -0.098 1.088 -10.205 151 H CYS 22 HN CYS 22 2.715 1.531 -5.773 152 HA CYS 22 HA CYS 22 2.789 4.453 -5.482 153 1HB CYS 22 HB2 CYS 22 1.953 3.325 -3.510 154 2HB CYS 22 HB1 CYS 22 3.350 2.257 -3.481 155 H ALA 23 HN ALA 23 4.650 5.540 -5.673 156 HA ALA 23 HA ALA 23 7.116 3.967 -6.053 157 1HB ALA 23 HB1 ALA 23 7.741 5.236 -7.851 158 2HB ALA 23 HB2 ALA 23 6.821 6.643 -7.320 159 3HB ALA 23 HB3 ALA 23 5.988 5.268 -8.044 160 H ALA 24 HN ALA 24 9.125 5.111 -5.548 161 HA ALA 24 HA ALA 24 8.938 7.415 -3.797 162 1HB ALA 24 HB1 ALA 24 8.565 5.832 -2.117 163 2HB ALA 24 HB2 ALA 24 10.296 6.158 -2.025 164 3HB ALA 24 HB3 ALA 24 9.716 4.690 -2.811 165 H SER 25 HN SER 25 10.792 8.608 -3.760 166 HA SER 25 HA SER 25 13.070 7.527 -5.285 167 1HB SER 25 HB2 SER 25 11.848 10.267 -5.189 168 2HB SER 25 HB1 SER 25 13.550 10.077 -5.612 169 HG SER 25 HG SER 25 12.718 8.481 -7.201 170 H GLY 26 HN GLY 26 14.947 7.331 -4.253 171 1HA GLY 26 HA2 GLY 26 16.574 8.617 -2.825 172 2HA GLY 26 HA1 GLY 26 15.252 8.741 -1.675 173 H ARG 27 HN ARG 27 17.824 6.813 -2.853 174 HA ARG 27 HA ARG 27 16.988 4.348 -1.655 175 1HB ARG 27 HB2 ARG 27 18.530 4.429 -3.584 176 2HB ARG 27 HB1 ARG 27 19.738 5.208 -2.572 177 1HG ARG 27 HG2 ARG 27 18.870 2.815 -1.289 178 2HG ARG 27 HG1 ARG 27 19.292 2.451 -2.963 179 1HD ARG 27 HD2 ARG 27 21.473 2.706 -2.565 180 2HD ARG 27 HD1 ARG 27 21.216 4.226 -1.709 181 HE ARG 27 HE ARG 27 21.509 3.073 0.225 182 1HH1 ARG 27 HH11 ARG 27 20.355 0.834 -2.189 183 2HH1 ARG 27 HH12 ARG 27 20.429 -0.536 -1.134 184 1HH2 ARG 27 HH21 ARG 27 21.608 1.271 1.615 185 2HH2 ARG 27 HH22 ARG 27 21.140 -0.289 1.025 186 H THR 28 HN THR 28 17.072 3.836 0.421 187 HA THR 28 HA THR 28 18.863 5.376 2.178 188 HB THR 28 HB THR 28 17.244 4.489 3.991 189 HG1 THR 28 HG1 THR 28 15.122 4.144 3.095 190 1HG2 THR 28 HG21 THR 28 16.168 6.452 3.984 191 2HG2 THR 28 HG22 THR 28 15.662 6.291 2.302 192 3HG2 THR 28 HG23 THR 28 17.293 6.844 2.684 193 H GLY 29 HN GLY 29 19.278 4.007 4.309 194 1HA GLY 29 HA2 GLY 29 19.839 1.219 3.625 195 2HA GLY 29 HA1 GLY 29 21.180 2.245 4.103 196 H SER 30 HN SER 30 17.948 2.433 5.453 197 HA SER 30 HA SER 30 19.020 1.410 8.001 198 1HB SER 30 HB2 SER 30 18.345 3.958 7.670 199 2HB SER 30 HB1 SER 30 16.729 3.322 7.976 200 HG SER 30 HG SER 30 18.301 4.018 9.804 201 H THR 31 HN THR 31 17.945 -0.396 6.277 202 HA THR 31 HA THR 31 16.363 -2.020 6.057 203 HB THR 31 HB THR 31 15.409 -2.867 8.043 204 HG1 THR 31 HG1 THR 31 15.786 -0.369 9.315 205 1HG2 THR 31 HG21 THR 31 17.948 -1.416 8.705 206 2HG2 THR 31 HG22 THR 31 17.728 -3.117 8.297 207 3HG2 THR 31 HG23 THR 31 17.141 -2.498 9.840 208 H TYR 32 HN TYR 32 15.680 0.641 5.184 209 HA TYR 32 HA TYR 32 13.009 1.278 5.894 210 1HB TYR 32 HB2 TYR 32 13.978 3.130 5.004 211 2HB TYR 32 HB1 TYR 32 15.027 2.201 3.949 212 HD1 TYR 32 HD1 TYR 32 13.908 1.145 1.851 213 HD2 TYR 32 HD2 TYR 32 12.190 4.315 4.110 214 HE1 TYR 32 HE1 TYR 32 12.523 1.765 -0.083 215 HE2 TYR 32 HE2 TYR 32 10.800 4.942 2.182 216 HH TYR 32 HH TYR 32 9.922 3.985 0.155 217 H ASP 33 HN ASP 33 11.093 0.745 4.962 218 HA ASP 33 HA ASP 33 11.147 -1.105 2.674 219 1HB ASP 33 HB2 ASP 33 9.161 -1.407 4.915 220 2HB ASP 33 HB1 ASP 33 9.599 -2.574 3.674 221 H MET 34 HN MET 34 8.664 -1.423 1.981 222 HA MET 34 HA MET 34 7.325 1.180 2.026 223 1HB MET 34 HB2 MET 34 8.709 0.099 -0.214 224 2HB MET 34 HB1 MET 34 6.989 0.048 -0.574 225 1HG MET 34 HG2 MET 34 7.095 2.523 0.347 226 2HG MET 34 HG1 MET 34 8.777 2.374 -0.157 227 1HE MET 34 HE1 MET 34 8.710 0.947 -3.334 228 2HE MET 34 HE2 MET 34 9.629 1.917 -2.182 229 3HE MET 34 HE3 MET 34 8.990 2.659 -3.649 230 H GLY 35 HN GLY 35 5.240 0.979 2.522 231 1HA GLY 35 HA2 GLY 35 3.779 -1.398 1.640 232 2HA GLY 35 HA1 GLY 35 3.858 -1.095 3.368 233 H TRP 36 HN TRP 36 1.458 -1.248 1.944 234 HA TRP 36 HA TRP 36 0.546 1.494 1.621 235 1HB TRP 36 HB2 TRP 36 -0.709 -1.163 1.029 236 2HB TRP 36 HB1 TRP 36 -1.563 0.354 0.854 237 HD1 TRP 36 HD1 TRP 36 1.390 -1.589 -0.663 238 HE1 TRP 36 HE1 TRP 36 1.800 -0.711 -3.047 239 HE3 TRP 36 HE3 TRP 36 -1.924 2.306 -0.677 240 HZ2 TRP 36 HZ2 TRP 36 0.847 1.357 -4.714 241 HZ3 TRP 36 HZ3 TRP 36 -2.113 3.684 -2.706 242 HH2 TRP 36 HH2 TRP 36 -0.755 3.219 -4.681 243 H PHE 37 HN PHE 37 -1.405 2.219 2.636 244 HA PHE 37 HA PHE 37 -2.101 0.840 5.125 245 1HB PHE 37 HB2 PHE 37 -1.035 3.593 4.731 246 2HB PHE 37 HB1 PHE 37 -2.297 3.378 5.928 247 HD1 PHE 37 HD1 PHE 37 1.051 2.155 4.924 248 HD2 PHE 37 HD2 PHE 37 -1.783 2.605 8.064 249 HE1 PHE 37 HE1 PHE 37 2.746 1.423 6.552 250 HE2 PHE 37 HE2 PHE 37 -0.095 1.874 9.699 251 HZ PHE 37 HZ PHE 37 2.173 1.283 8.943 252 H ARG 38 HN ARG 38 -4.067 2.217 6.122 253 HA ARG 38 HA ARG 38 -5.826 3.227 4.047 254 1HB ARG 38 HB2 ARG 38 -7.544 1.670 4.311 255 2HB ARG 38 HB1 ARG 38 -6.097 0.679 4.263 256 1HG ARG 38 HG2 ARG 38 -6.297 1.038 6.908 257 2HG ARG 38 HG1 ARG 38 -8.000 1.161 6.463 258 1HD ARG 38 HD2 ARG 38 -6.424 -1.065 5.293 259 2HD ARG 38 HD1 ARG 38 -6.837 -1.167 7.004 260 HE ARG 38 HE ARG 38 -8.580 -1.618 4.832 261 1HH1 ARG 38 HH11 ARG 38 -8.500 -0.136 7.990 262 2HH1 ARG 38 HH12 ARG 38 -10.195 -0.350 8.272 263 1HH2 ARG 38 HH21 ARG 38 -10.810 -1.901 5.200 264 2HH2 ARG 38 HH22 ARG 38 -11.506 -1.354 6.689 265 H GLN 39 HN GLN 39 -7.596 4.446 4.858 266 HA GLN 39 HA GLN 39 -7.691 4.880 7.745 267 1HB GLN 39 HB2 GLN 39 -6.515 6.718 5.835 268 2HB GLN 39 HB1 GLN 39 -7.861 7.462 6.688 269 1HG GLN 39 HG2 GLN 39 -5.916 5.974 8.336 270 2HG GLN 39 HG1 GLN 39 -5.352 7.473 7.599 271 1HE2 GLN 39 HE21 GLN 39 -5.515 7.187 10.326 272 2HE2 GLN 39 HE22 GLN 39 -6.766 8.209 10.938 273 H ALA 40 HN ALA 40 -9.625 5.757 8.505 274 HA ALA 40 HA ALA 40 -11.747 6.298 6.569 275 1HB ALA 40 HB1 ALA 40 -13.173 4.821 8.301 276 2HB ALA 40 HB2 ALA 40 -11.631 3.969 8.380 277 3HB ALA 40 HB3 ALA 40 -12.452 4.165 6.831 278 HA PRO 41 HA PRO 41 -12.926 9.415 9.440 279 1HB PRO 41 HB2 PRO 41 -15.650 9.397 9.282 280 2HB PRO 41 HB1 PRO 41 -14.611 10.067 8.020 281 1HG PRO 41 HG2 PRO 41 -15.951 7.395 8.151 282 2HG PRO 41 HG1 PRO 41 -15.782 8.497 6.772 283 1HD PRO 41 HD2 PRO 41 -14.208 6.320 7.090 284 2HD PRO 41 HD1 PRO 41 -13.624 7.813 6.327 285 H GLY 42 HN GLY 42 -13.186 9.615 11.560 286 1HA GLY 42 HA2 GLY 42 -13.789 9.117 13.729 287 2HA GLY 42 HA1 GLY 42 -14.971 7.982 13.088 288 H LYS 43 HN LYS 43 -12.118 7.211 11.638 289 HA LYS 43 HA LYS 43 -11.503 5.192 13.689 290 1HB LYS 43 HB2 LYS 43 -12.415 4.715 11.233 291 2HB LYS 43 HB1 LYS 43 -10.708 4.850 10.850 292 1HG LYS 43 HG2 LYS 43 -10.487 2.716 11.419 293 2HG LYS 43 HG1 LYS 43 -10.821 3.184 13.087 294 1HD LYS 43 HD2 LYS 43 -13.325 3.059 12.243 295 2HD LYS 43 HD1 LYS 43 -12.619 1.963 11.054 296 1HE LYS 43 HE2 LYS 43 -12.618 0.330 12.557 297 2HE LYS 43 HE1 LYS 43 -11.564 1.284 13.600 298 1HZ LYS 43 HZ1 LYS 43 -13.552 2.352 14.521 299 2HZ LYS 43 HZ2 LYS 43 -13.561 0.680 14.772 300 3HZ LYS 43 HZ3 LYS 43 -14.533 1.358 13.565 301 H GLU 44 HN GLU 44 -9.143 4.245 12.905 302 HA GLU 44 HA GLU 44 -7.350 6.573 12.881 303 1HB GLU 44 HB2 GLU 44 -6.758 3.917 14.186 304 2HB GLU 44 HB1 GLU 44 -5.837 5.409 14.329 305 1HG GLU 44 HG2 GLU 44 -7.288 6.329 15.824 306 2HG GLU 44 HG1 GLU 44 -8.674 5.436 15.198 307 H ARG 45 HN ARG 45 -4.952 5.492 12.438 308 HA ARG 45 HA ARG 45 -5.110 4.712 9.687 309 1HB ARG 45 HB2 ARG 45 -3.138 5.819 11.407 310 2HB ARG 45 HB1 ARG 45 -2.471 4.345 10.716 311 1HG ARG 45 HG2 ARG 45 -3.605 5.542 8.535 312 2HG ARG 45 HG1 ARG 45 -3.019 6.922 9.467 313 1HD ARG 45 HD2 ARG 45 -0.906 5.222 9.645 314 2HD ARG 45 HD1 ARG 45 -1.528 4.826 8.043 315 HE ARG 45 HE ARG 45 -0.616 6.776 7.321 316 1HH1 ARG 45 HH11 ARG 45 -1.317 7.123 10.723 317 2HH1 ARG 45 HH12 ARG 45 -0.686 8.732 10.816 318 1HH2 ARG 45 HH21 ARG 45 0.215 8.892 7.442 319 2HH2 ARG 45 HH22 ARG 45 0.183 9.737 8.954 320 H GLU 46 HN GLU 46 -4.832 2.768 8.772 321 HA GLU 46 HA GLU 46 -4.001 0.505 10.439 322 1HB GLU 46 HB2 GLU 46 -6.175 -0.086 8.523 323 2HB GLU 46 HB1 GLU 46 -5.875 -0.747 10.121 324 1HG GLU 46 HG2 GLU 46 -6.640 1.972 10.422 325 2HG GLU 46 HG1 GLU 46 -7.776 1.193 9.327 326 H SER 47 HN SER 47 -2.353 -0.485 9.453 327 HA SER 47 HA SER 47 -1.626 0.083 6.795 328 1HB SER 47 HB2 SER 47 0.224 -0.446 8.021 329 2HB SER 47 HB1 SER 47 -0.605 -1.669 8.967 330 HG SER 47 HG SER 47 0.560 -1.865 6.422 331 H VAL 48 HN VAL 48 -1.085 -1.709 5.292 332 HA VAL 48 HA VAL 48 -3.214 -3.737 5.173 333 HB VAL 48 HB VAL 48 -2.219 -2.235 2.775 334 1HG1 VAL 48 HG11 VAL 48 -4.160 -4.424 3.233 335 2HG1 VAL 48 HG12 VAL 48 -3.055 -4.154 1.886 336 3HG1 VAL 48 HG13 VAL 48 -4.550 -3.226 1.998 337 1HG2 VAL 48 HG21 VAL 48 -4.911 -1.850 4.037 338 2HG2 VAL 48 HG22 VAL 48 -4.112 -0.855 2.820 339 3HG2 VAL 48 HG23 VAL 48 -3.524 -0.856 4.483 340 H ALA 49 HN ALA 49 -0.225 -2.738 3.514 341 HA ALA 49 HA ALA 49 0.935 -5.351 3.981 342 1HB ALA 49 HB1 ALA 49 1.487 -5.142 1.315 343 2HB ALA 49 HB2 ALA 49 -0.178 -4.566 1.391 344 3HB ALA 49 HB3 ALA 49 0.231 -6.164 2.014 345 H ALA 50 HN ALA 50 3.221 -5.445 3.234 346 HA ALA 50 HA ALA 50 4.538 -2.988 2.542 347 1HB ALA 50 HB1 ALA 50 4.174 -3.608 5.312 348 2HB ALA 50 HB2 ALA 50 4.957 -2.210 4.577 349 3HB ALA 50 HB3 ALA 50 5.891 -3.668 4.912 350 H ILE 51 HN ILE 51 6.688 -3.295 1.905 351 HA ILE 51 HA ILE 51 7.759 -6.009 2.118 352 HB ILE 51 HB ILE 51 6.505 -5.766 -0.016 353 1HG1 ILE 51 HG12 ILE 51 8.565 -7.272 0.442 354 2HG1 ILE 51 HG11 ILE 51 7.993 -7.090 -1.209 355 1HG2 ILE 51 HG21 ILE 51 6.734 -3.993 -1.306 356 2HG2 ILE 51 HG22 ILE 51 8.438 -4.368 -1.551 357 3HG2 ILE 51 HG23 ILE 51 7.946 -3.347 -0.201 358 1HD1 ILE 51 HD11 ILE 51 10.511 -6.198 0.039 359 2HD1 ILE 51 HD12 ILE 51 9.809 -5.135 -1.178 360 3HD1 ILE 51 HD13 ILE 51 10.195 -6.804 -1.584 361 H ASN 52 HN ASN 52 9.949 -6.170 2.110 362 HA ASN 52 HA ASN 52 11.419 -3.828 2.824 363 1HB ASN 52 HB2 ASN 52 11.710 -6.414 3.436 364 2HB ASN 52 HB1 ASN 52 12.875 -6.308 2.121 365 1HD2 ASN 52 HD21 ASN 52 13.695 -6.914 4.647 366 2HD2 ASN 52 HD22 ASN 52 14.601 -5.598 5.303 367 H TRP 53 HN TRP 53 13.935 -4.522 1.521 368 HA TRP 53 HA TRP 53 13.413 -3.209 -1.012 369 1HB TRP 53 HB2 TRP 53 15.451 -2.995 0.824 370 2HB TRP 53 HB1 TRP 53 16.184 -3.972 -0.444 371 HD1 TRP 53 HD1 TRP 53 15.921 -0.512 0.485 372 HE1 TRP 53 HE1 TRP 53 16.202 1.064 -1.531 373 HE3 TRP 53 HE3 TRP 53 15.274 -3.895 -3.288 374 HZ2 TRP 53 HZ2 TRP 53 16.151 0.894 -4.351 375 HZ3 TRP 53 HZ3 TRP 53 15.404 -3.111 -5.616 376 HH2 TRP 53 HH2 TRP 53 15.835 -0.765 -6.135 377 H ASP 54 HN ASP 54 15.244 -6.088 0.048 378 HA ASP 54 HA ASP 54 14.146 -7.772 -1.918 379 1HB ASP 54 HB2 ASP 54 15.659 -6.150 -3.270 380 2HB ASP 54 HB1 ASP 54 16.991 -7.081 -2.591 381 H SER 55 HN SER 55 14.676 -9.882 -1.579 382 HA SER 55 HA SER 55 15.614 -11.733 -0.645 383 1HB SER 55 HB2 SER 55 17.793 -10.592 -1.291 384 2HB SER 55 HB1 SER 55 17.872 -10.005 0.369 385 HG SER 55 HG SER 55 18.200 -12.580 -0.632 386 H ALA 56 HN ALA 56 13.650 -10.320 0.775 387 HA ALA 56 HA ALA 56 14.416 -11.046 3.502 388 1HB ALA 56 HB1 ALA 56 12.929 -9.014 4.190 389 2HB ALA 56 HB2 ALA 56 13.355 -8.411 2.588 390 3HB ALA 56 HB3 ALA 56 14.622 -8.767 3.762 391 H ARG 57 HN ARG 57 11.511 -9.526 2.195 392 HA ARG 57 HA ARG 57 9.843 -11.580 1.660 393 1HB ARG 57 HB2 ARG 57 10.480 -11.485 4.495 394 2HB ARG 57 HB1 ARG 57 8.749 -11.407 4.201 395 1HG ARG 57 HG2 ARG 57 9.728 -13.433 2.525 396 2HG ARG 57 HG1 ARG 57 10.513 -13.664 4.089 397 1HD ARG 57 HD2 ARG 57 8.641 -14.736 4.677 398 2HD ARG 57 HD1 ARG 57 7.920 -13.132 4.800 399 HE ARG 57 HE ARG 57 6.703 -13.565 2.906 400 1HH1 ARG 57 HH11 ARG 57 9.214 -15.968 3.223 401 2HH1 ARG 57 HH12 ARG 57 8.609 -16.951 1.932 402 1HH2 ARG 57 HH21 ARG 57 5.907 -14.856 1.207 403 2HH2 ARG 57 HH22 ARG 57 6.731 -16.320 0.788 404 H THR 58 HN THR 58 7.436 -11.058 2.587 405 HA THR 58 HA THR 58 7.073 -8.159 2.241 406 HB THR 58 HB THR 58 4.713 -9.732 1.652 407 HG1 THR 58 HG1 THR 58 6.957 -10.227 -0.001 408 1HG2 THR 58 HG21 THR 58 5.243 -8.626 -0.673 409 2HG2 THR 58 HG22 THR 58 6.326 -7.644 0.312 410 3HG2 THR 58 HG23 THR 58 4.601 -7.689 0.676 411 H TYR 59 HN TYR 59 4.672 -7.622 3.031 412 HA TYR 59 HA TYR 59 4.111 -8.987 5.555 413 1HB TYR 59 HB2 TYR 59 5.590 -7.138 6.147 414 2HB TYR 59 HB1 TYR 59 4.561 -6.011 5.272 415 HD1 TYR 59 HD1 TYR 59 3.973 -4.553 7.043 416 HD2 TYR 59 HD2 TYR 59 3.388 -8.744 7.483 417 HE1 TYR 59 HE1 TYR 59 2.673 -4.151 9.091 418 HE2 TYR 59 HE2 TYR 59 2.085 -8.353 9.531 419 HH TYR 59 HH TYR 59 0.635 -6.023 10.374 420 H TYR 60 HN TYR 60 1.969 -9.135 5.990 421 HA TYR 60 HA TYR 60 0.133 -7.584 4.298 422 1HB TYR 60 HB2 TYR 60 0.179 -10.485 5.023 423 2HB TYR 60 HB1 TYR 60 -1.354 -9.698 4.712 424 HD1 TYR 60 HD1 TYR 60 1.482 -11.285 3.262 425 HD2 TYR 60 HD2 TYR 60 -1.631 -8.502 2.448 426 HE1 TYR 60 HE1 TYR 60 1.813 -11.631 0.850 427 HE2 TYR 60 HE2 TYR 60 -1.309 -8.840 0.033 428 HH TYR 60 HH TYR 60 0.631 -11.378 -1.225 429 H ALA 61 HN ALA 61 -2.054 -7.376 5.225 430 HA ALA 61 HA ALA 61 -1.918 -7.035 8.145 431 1HB ALA 61 HB1 ALA 61 -3.994 -5.542 7.635 432 2HB ALA 61 HB2 ALA 61 -3.366 -5.556 5.987 433 3HB ALA 61 HB3 ALA 61 -2.374 -4.930 7.304 434 H SER 62 HN SER 62 -3.848 -7.573 9.389 435 HA SER 62 HA SER 62 -5.051 -9.991 8.413 436 1HB SER 62 HB2 SER 62 -4.335 -9.103 10.920 437 2HB SER 62 HB1 SER 62 -6.092 -8.959 10.950 438 HG SER 62 HG SER 62 -4.649 -11.291 10.213 439 H SER 63 HN SER 63 -5.797 -7.648 6.998 440 HA SER 63 HA SER 63 -8.685 -7.605 7.545 441 1HB SER 63 HB2 SER 63 -7.751 -5.402 8.002 442 2HB SER 63 HB1 SER 63 -6.959 -5.381 6.427 443 HG SER 63 HG SER 63 -8.914 -4.210 6.396 444 H VAL 64 HN VAL 64 -6.181 -8.340 5.380 445 HA VAL 64 HA VAL 64 -8.058 -9.218 3.371 446 HB VAL 64 HB VAL 64 -6.814 -8.041 1.533 447 1HG1 VAL 64 HG11 VAL 64 -9.030 -7.312 2.636 448 2HG1 VAL 64 HG12 VAL 64 -8.183 -6.162 1.601 449 3HG1 VAL 64 HG13 VAL 64 -8.067 -6.021 3.355 450 1HG2 VAL 64 HG21 VAL 64 -5.915 -5.826 3.130 451 2HG2 VAL 64 HG22 VAL 64 -5.023 -6.795 1.957 452 3HG2 VAL 64 HG23 VAL 64 -5.117 -7.315 3.641 453 H ARG 65 HN ARG 65 -5.771 -10.161 5.225 454 HA ARG 65 HA ARG 65 -3.642 -10.992 3.601 455 1HB ARG 65 HB2 ARG 65 -3.982 -10.899 6.233 456 2HB ARG 65 HB1 ARG 65 -4.442 -12.573 5.991 457 1HG ARG 65 HG2 ARG 65 -1.942 -11.727 4.694 458 2HG ARG 65 HG1 ARG 65 -1.931 -11.760 6.457 459 1HD ARG 65 HD2 ARG 65 -1.620 -13.957 6.380 460 2HD ARG 65 HD1 ARG 65 -3.205 -14.126 5.626 461 HE ARG 65 HE ARG 65 -2.159 -14.586 3.655 462 1HH1 ARG 65 HH11 ARG 65 0.114 -12.959 5.745 463 2HH1 ARG 65 HH12 ARG 65 1.451 -13.173 4.666 464 1HH2 ARG 65 HH21 ARG 65 -0.401 -14.869 2.235 465 2HH2 ARG 65 HH22 ARG 65 1.158 -14.254 2.671 466 H GLY 66 HN GLY 66 -4.751 -11.751 1.786 467 1HA GLY 66 HA2 GLY 66 -4.669 -14.270 1.100 468 2HA GLY 66 HA1 GLY 66 -6.148 -14.301 2.045 469 H ARG 67 HN ARG 67 -6.111 -11.306 0.724 470 HA ARG 67 HA ARG 67 -7.434 -12.217 -1.750 471 1HB ARG 67 HB2 ARG 67 -9.102 -10.437 -1.473 472 2HB ARG 67 HB1 ARG 67 -9.144 -11.583 -0.141 473 1HG ARG 67 HG2 ARG 67 -8.244 -10.067 1.362 474 2HG ARG 67 HG1 ARG 67 -7.567 -9.057 0.085 475 1HD ARG 67 HD2 ARG 67 -9.356 -7.765 0.604 476 2HD ARG 67 HD1 ARG 67 -10.143 -8.838 -0.553 477 HE ARG 67 HE ARG 67 -10.514 -10.122 1.784 478 1HH1 ARG 67 HH11 ARG 67 -11.087 -6.824 0.796 479 2HH1 ARG 67 HH12 ARG 67 -12.412 -6.596 1.887 480 1HH2 ARG 67 HH21 ARG 67 -12.259 -9.823 3.219 481 2HH2 ARG 67 HH22 ARG 67 -13.078 -8.297 3.262 482 H PHE 68 HN PHE 68 -5.629 -9.651 -0.139 483 HA PHE 68 HA PHE 68 -5.318 -8.219 -2.660 484 1HB PHE 68 HB2 PHE 68 -4.553 -7.565 0.183 485 2HB PHE 68 HB1 PHE 68 -4.041 -6.582 -1.182 486 HD1 PHE 68 HD1 PHE 68 -7.261 -7.980 -1.746 487 HD2 PHE 68 HD2 PHE 68 -5.236 -4.820 0.263 488 HE1 PHE 68 HE1 PHE 68 -9.365 -6.715 -1.621 489 HE2 PHE 68 HE2 PHE 68 -7.339 -3.551 0.391 490 HZ PHE 68 HZ PHE 68 -9.408 -4.498 -0.551 491 H THR 69 HN THR 69 -3.331 -7.824 -3.640 492 HA THR 69 HA THR 69 -1.146 -9.623 -2.811 493 HB THR 69 HB THR 69 -1.551 -8.505 -5.585 494 HG1 THR 69 HG1 THR 69 -2.487 -10.980 -4.564 495 1HG2 THR 69 HG21 THR 69 -0.145 -10.241 -6.336 496 2HG2 THR 69 HG22 THR 69 -0.174 -11.042 -4.765 497 3HG2 THR 69 HG23 THR 69 0.665 -9.502 -4.955 498 H ILE 70 HN ILE 70 0.997 -8.887 -3.088 499 HA ILE 70 HA ILE 70 1.402 -6.021 -3.455 500 HB ILE 70 HB ILE 70 0.925 -6.350 -1.082 501 1HG1 ILE 70 HG12 ILE 70 2.466 -4.563 -1.837 502 2HG1 ILE 70 HG11 ILE 70 2.802 -5.116 -0.201 503 1HG2 ILE 70 HG21 ILE 70 3.391 -8.073 -1.046 504 2HG2 ILE 70 HG22 ILE 70 1.729 -8.653 -0.916 505 3HG2 ILE 70 HG23 ILE 70 2.407 -7.621 0.348 506 1HD1 ILE 70 HD11 ILE 70 4.444 -5.232 -2.612 507 2HD1 ILE 70 HD12 ILE 70 4.456 -6.700 -1.636 508 3HD1 ILE 70 HD13 ILE 70 4.913 -5.157 -0.915 509 H SER 71 HN SER 71 3.270 -5.564 -4.423 510 HA SER 71 HA SER 71 5.594 -7.227 -4.219 511 1HB SER 71 HB2 SER 71 3.747 -7.563 -6.485 512 2HB SER 71 HB1 SER 71 5.426 -7.301 -6.953 513 HG SER 71 HG SER 71 4.661 -9.204 -5.003 514 H ARG 72 HN ARG 72 7.082 -6.446 -6.317 515 HA ARG 72 HA ARG 72 6.877 -3.519 -6.442 516 1HB ARG 72 HB2 ARG 72 9.473 -3.582 -6.259 517 2HB ARG 72 HB1 ARG 72 8.504 -3.666 -4.796 518 1HG ARG 72 HG2 ARG 72 9.075 -6.285 -5.933 519 2HG ARG 72 HG1 ARG 72 10.527 -5.382 -5.495 520 1HD ARG 72 HD2 ARG 72 10.196 -5.877 -3.357 521 2HD ARG 72 HD1 ARG 72 8.634 -5.060 -3.405 522 HE ARG 72 HE ARG 72 7.597 -7.104 -3.528 523 1HH1 ARG 72 HH11 ARG 72 11.013 -7.516 -4.110 524 2HH1 ARG 72 HH12 ARG 72 10.943 -9.244 -4.035 525 1HH2 ARG 72 HH21 ARG 72 7.504 -9.375 -3.427 526 2HH2 ARG 72 HH22 ARG 72 8.952 -10.300 -3.648 527 H ASP 73 HN ASP 73 8.023 -2.549 -8.223 528 HA ASP 73 HA ASP 73 7.779 -4.057 -10.619 529 1HB ASP 73 HB2 ASP 73 7.397 -1.637 -10.569 530 2HB ASP 73 HB1 ASP 73 9.088 -1.371 -10.162 531 H ASN 74 HN ASN 74 10.422 -3.377 -8.469 532 HA ASN 74 HA ASN 74 12.550 -4.175 -8.372 533 1HB ASN 74 HB2 ASN 74 11.124 -6.131 -9.968 534 2HB ASN 74 HB1 ASN 74 12.807 -6.009 -10.472 535 1HD2 ASN 74 HD21 ASN 74 12.975 -8.188 -9.678 536 2HD2 ASN 74 HD22 ASN 74 13.229 -8.466 -7.993 537 H ALA 75 HN ALA 75 11.674 -1.996 -10.255 538 HA ALA 75 HA ALA 75 13.823 -2.148 -12.241 539 1HB ALA 75 HB1 ALA 75 12.576 0.029 -13.033 540 2HB ALA 75 HB2 ALA 75 11.248 -0.662 -12.100 541 3HB ALA 75 HB3 ALA 75 11.955 -1.572 -13.435 542 H LYS 76 HN LYS 76 12.357 0.268 -10.066 543 HA LYS 76 HA LYS 76 15.059 1.303 -9.541 544 1HB LYS 76 HB2 LYS 76 13.813 3.589 -9.318 545 2HB LYS 76 HB1 LYS 76 14.293 3.005 -10.905 546 1HG LYS 76 HG2 LYS 76 11.949 2.047 -11.096 547 2HG LYS 76 HG1 LYS 76 11.556 3.017 -9.675 548 1HD LYS 76 HD2 LYS 76 10.943 4.344 -11.521 549 2HD LYS 76 HD1 LYS 76 12.482 5.004 -10.965 550 1HE LYS 76 HE2 LYS 76 12.638 4.890 -13.317 551 2HE LYS 76 HE1 LYS 76 13.588 3.536 -12.703 552 1HZ LYS 76 HZ1 LYS 76 12.391 2.402 -14.210 553 2HZ LYS 76 HZ2 LYS 76 11.129 3.527 -14.243 554 3HZ LYS 76 HZ3 LYS 76 11.208 2.383 -13.000 555 H LYS 77 HN LYS 77 11.676 1.500 -8.438 556 HA LYS 77 HA LYS 77 11.956 0.443 -5.961 557 1HB LYS 77 HB2 LYS 77 13.592 2.173 -5.421 558 2HB LYS 77 HB1 LYS 77 12.444 3.426 -5.869 559 1HG LYS 77 HG2 LYS 77 10.957 2.472 -4.024 560 2HG LYS 77 HG1 LYS 77 12.397 1.605 -3.489 561 1HD LYS 77 HD2 LYS 77 12.825 4.458 -4.015 562 2HD LYS 77 HD1 LYS 77 11.701 4.120 -2.698 563 1HE LYS 77 HE2 LYS 77 13.995 4.332 -1.882 564 2HE LYS 77 HE1 LYS 77 13.366 2.706 -1.621 565 1HZ LYS 77 HZ1 LYS 77 14.841 1.813 -3.042 566 2HZ LYS 77 HZ2 LYS 77 15.736 3.211 -2.717 567 3HZ LYS 77 HZ3 LYS 77 14.790 3.120 -4.116 568 H THR 78 HN THR 78 9.881 -0.080 -7.032 569 HA THR 78 HA THR 78 7.804 1.772 -6.110 570 HB THR 78 HB THR 78 7.743 0.413 -8.804 571 HG1 THR 78 HG1 THR 78 8.878 2.072 -9.379 572 1HG2 THR 78 HG21 THR 78 5.772 1.649 -9.270 573 2HG2 THR 78 HG22 THR 78 5.892 2.528 -7.747 574 3HG2 THR 78 HG23 THR 78 5.520 0.802 -7.743 575 H VAL 79 HN VAL 79 6.005 0.842 -5.302 576 HA VAL 79 HA VAL 79 5.948 -2.103 -5.215 577 HB VAL 79 HB VAL 79 4.813 -1.931 -3.057 578 1HG1 VAL 79 HG11 VAL 79 6.731 -1.705 -1.831 579 2HG1 VAL 79 HG12 VAL 79 7.248 -0.261 -2.701 580 3HG1 VAL 79 HG13 VAL 79 7.416 -1.849 -3.450 581 1HG2 VAL 79 HG21 VAL 79 4.792 0.916 -3.746 582 2HG2 VAL 79 HG22 VAL 79 5.266 0.575 -2.082 583 3HG2 VAL 79 HG23 VAL 79 3.717 -0.005 -2.695 584 H TYR 80 HN TYR 80 4.104 -3.128 -5.778 585 HA TYR 80 HA TYR 80 1.752 -1.460 -6.367 586 1HB TYR 80 HB2 TYR 80 2.667 -3.856 -7.958 587 2HB TYR 80 HB1 TYR 80 1.295 -2.821 -8.321 588 HD1 TYR 80 HD1 TYR 80 4.957 -2.443 -7.673 589 HD2 TYR 80 HD2 TYR 80 1.589 -1.323 -10.015 590 HE1 TYR 80 HE1 TYR 80 6.403 -1.040 -9.071 591 HE2 TYR 80 HE2 TYR 80 3.028 0.085 -11.422 592 HH TYR 80 HH TYR 80 6.475 0.483 -10.713 593 H LEU 81 HN LEU 81 -0.108 -2.113 -5.457 594 HA LEU 81 HA LEU 81 -0.192 -4.833 -4.360 595 1HB LEU 81 HB2 LEU 81 -0.742 -4.056 -2.349 596 2HB LEU 81 HB1 LEU 81 -0.293 -2.470 -2.934 597 HG LEU 81 HG LEU 81 -3.105 -3.423 -3.326 598 1HD1 LEU 81 HD11 LEU 81 -2.055 -3.593 -0.853 599 2HD1 LEU 81 HD12 LEU 81 -3.736 -3.173 -1.183 600 3HD1 LEU 81 HD13 LEU 81 -2.553 -1.902 -0.871 601 1HD2 LEU 81 HD21 LEU 81 -2.984 -0.756 -2.533 602 2HD2 LEU 81 HD22 LEU 81 -3.227 -1.370 -4.168 603 3HD2 LEU 81 HD23 LEU 81 -1.603 -0.976 -3.607 604 H GLN 82 HN GLN 82 -1.594 -6.088 -5.292 605 HA GLN 82 HA GLN 82 -3.723 -4.974 -6.923 606 1HB GLN 82 HB2 GLN 82 -2.131 -6.732 -7.729 607 2HB GLN 82 HB1 GLN 82 -2.880 -7.815 -6.601 608 1HG GLN 82 HG2 GLN 82 -3.689 -7.073 -9.259 609 2HG GLN 82 HG1 GLN 82 -4.154 -8.463 -8.282 610 1HE2 GLN 82 HE21 GLN 82 -4.626 -4.993 -8.336 611 2HE2 GLN 82 HE22 GLN 82 -6.314 -5.039 -7.999 612 H MET 83 HN MET 83 -5.475 -4.451 -5.709 613 HA MET 83 HA MET 83 -6.349 -6.238 -3.584 614 1HB MET 83 HB2 MET 83 -7.668 -3.673 -4.450 615 2HB MET 83 HB1 MET 83 -7.811 -4.493 -2.904 616 1HG MET 83 HG2 MET 83 -5.788 -3.768 -2.168 617 2HG MET 83 HG1 MET 83 -5.146 -3.545 -3.791 618 1HE MET 83 HE1 MET 83 -6.183 -1.881 -0.724 619 2HE MET 83 HE2 MET 83 -5.998 -0.208 -1.250 620 3HE MET 83 HE3 MET 83 -4.683 -1.358 -1.489 621 H ASN 84 HN ASN 84 -7.113 -8.029 -4.772 622 HA ASN 84 HA ASN 84 -9.209 -7.631 -6.722 623 1HB ASN 84 HB2 ASN 84 -8.788 -10.386 -5.861 624 2HB ASN 84 HB1 ASN 84 -8.692 -9.677 -7.460 625 1HD2 ASN 84 HD21 ASN 84 -6.835 -10.188 -8.343 626 2HD2 ASN 84 HD22 ASN 84 -5.292 -10.137 -7.568 627 H SER 85 HN SER 85 -11.092 -9.306 -6.480 628 HA SER 85 HA SER 85 -13.167 -9.411 -5.469 629 1HB SER 85 HB2 SER 85 -11.469 -11.333 -4.648 630 2HB SER 85 HB1 SER 85 -11.899 -10.630 -3.088 631 HG SER 85 HG SER 85 -14.154 -10.860 -3.899 632 H LEU 86 HN LEU 86 -12.446 -6.864 -5.059 633 HA LEU 86 HA LEU 86 -12.174 -6.016 -2.404 634 1HB LEU 86 HB2 LEU 86 -12.463 -4.811 -4.946 635 2HB LEU 86 HB1 LEU 86 -13.697 -4.112 -3.915 636 HG LEU 86 HG LEU 86 -11.673 -3.826 -2.239 637 1HD1 LEU 86 HD11 LEU 86 -9.893 -4.818 -3.330 638 2HD1 LEU 86 HD12 LEU 86 -9.682 -3.114 -3.735 639 3HD1 LEU 86 HD13 LEU 86 -10.394 -4.219 -4.911 640 1HD2 LEU 86 HD21 LEU 86 -11.453 -1.829 -4.363 641 2HD2 LEU 86 HD22 LEU 86 -11.921 -1.644 -2.673 642 3HD2 LEU 86 HD23 LEU 86 -13.111 -2.164 -3.865 643 H LYS 87 HN LYS 87 -13.785 -4.849 -1.116 644 HA LYS 87 HA LYS 87 -16.528 -5.836 -1.490 645 1HB LYS 87 HB2 LYS 87 -14.676 -6.514 0.643 646 2HB LYS 87 HB1 LYS 87 -16.144 -5.781 1.274 647 1HG LYS 87 HG2 LYS 87 -17.383 -7.582 0.810 648 2HG LYS 87 HG1 LYS 87 -16.626 -7.815 -0.767 649 1HD LYS 87 HD2 LYS 87 -14.589 -8.643 0.585 650 2HD LYS 87 HD1 LYS 87 -15.732 -8.799 1.921 651 1HE LYS 87 HE2 LYS 87 -15.578 -10.916 0.812 652 2HE LYS 87 HE1 LYS 87 -17.156 -10.216 0.454 653 1HZ LYS 87 HZ1 LYS 87 -16.588 -9.816 -1.717 654 2HZ LYS 87 HZ2 LYS 87 -15.733 -11.248 -1.434 655 3HZ LYS 87 HZ3 LYS 87 -14.926 -9.761 -1.405 656 HA PRO 88 HA PRO 88 -17.840 -1.811 -0.258 657 1HB PRO 88 HB2 PRO 88 -19.948 -2.189 1.366 658 2HB PRO 88 HB1 PRO 88 -19.997 -2.629 -0.346 659 1HG PRO 88 HG2 PRO 88 -19.542 -4.373 2.045 660 2HG PRO 88 HG1 PRO 88 -20.555 -4.671 0.620 661 1HD PRO 88 HD2 PRO 88 -18.055 -5.718 0.935 662 2HD PRO 88 HD1 PRO 88 -18.776 -5.371 -0.649 663 H GLU 89 HN GLU 89 -16.223 -3.629 1.920 664 HA GLU 89 HA GLU 89 -16.520 -1.738 4.131 665 1HB GLU 89 HB2 GLU 89 -16.819 -4.004 4.820 666 2HB GLU 89 HB1 GLU 89 -15.381 -4.524 3.953 667 1HG GLU 89 HG2 GLU 89 -14.744 -4.505 6.180 668 2HG GLU 89 HG1 GLU 89 -14.092 -3.007 5.527 669 H ASP 90 HN ASP 90 -14.450 -2.600 1.555 670 HA ASP 90 HA ASP 90 -12.001 -1.702 2.749 671 1HB ASP 90 HB2 ASP 90 -12.829 -2.521 -0.021 672 2HB ASP 90 HB1 ASP 90 -11.260 -1.783 0.268 673 H THR 91 HN THR 91 -14.691 -0.191 1.279 674 HA THR 91 HA THR 91 -13.644 1.980 -0.041 675 HB THR 91 HB THR 91 -16.073 1.802 1.736 676 HG1 THR 91 HG1 THR 91 -15.922 0.370 -0.104 677 1HG2 THR 91 HG21 THR 91 -16.472 3.944 1.356 678 2HG2 THR 91 HG22 THR 91 -16.551 3.585 -0.369 679 3HG2 THR 91 HG23 THR 91 -15.023 4.080 0.360 680 H ALA 92 HN ALA 92 -11.926 3.088 0.747 681 HA ALA 92 HA ALA 92 -12.315 4.921 2.879 682 1HB ALA 92 HB1 ALA 92 -11.187 2.337 3.562 683 2HB ALA 92 HB2 ALA 92 -11.762 3.634 4.610 684 3HB ALA 92 HB3 ALA 92 -10.112 3.670 3.987 685 H VAL 93 HN VAL 93 -9.824 5.603 3.616 686 HA VAL 93 HA VAL 93 -8.658 6.526 1.109 687 HB VAL 93 HB VAL 93 -8.139 7.336 3.969 688 1HG1 VAL 93 HG11 VAL 93 -6.686 7.913 1.491 689 2HG1 VAL 93 HG12 VAL 93 -6.173 8.074 3.171 690 3HG1 VAL 93 HG13 VAL 93 -7.134 9.346 2.416 691 1HG2 VAL 93 HG21 VAL 93 -9.355 9.329 3.474 692 2HG2 VAL 93 HG22 VAL 93 -10.349 7.959 2.977 693 3HG2 VAL 93 HG23 VAL 93 -9.474 8.898 1.767 694 H TYR 94 HN TYR 94 -7.165 5.214 0.238 695 HA TYR 94 HA TYR 94 -5.479 3.576 1.935 696 1HB TYR 94 HB2 TYR 94 -6.250 3.649 -0.937 697 2HB TYR 94 HB1 TYR 94 -4.703 2.938 -0.526 698 HD1 TYR 94 HD1 TYR 94 -8.193 2.388 -0.794 699 HD2 TYR 94 HD2 TYR 94 -4.719 1.078 1.283 700 HE1 TYR 94 HE1 TYR 94 -9.338 0.290 -0.218 701 HE2 TYR 94 HE2 TYR 94 -5.854 -1.026 1.865 702 HH TYR 94 HH TYR 94 -8.895 -1.925 0.469 703 H THR 95 HN THR 95 -3.723 4.577 2.731 704 HA THR 95 HA THR 95 -2.281 6.455 0.983 705 HB THR 95 HB THR 95 -1.946 6.208 3.966 706 HG1 THR 95 HG1 THR 95 -4.128 6.711 3.465 707 1HG2 THR 95 HG21 THR 95 -0.213 7.529 3.243 708 2HG2 THR 95 HG22 THR 95 -1.463 8.726 3.580 709 3HG2 THR 95 HG23 THR 95 -1.150 8.221 1.919 710 H CYS 96 HN CYS 96 -0.155 6.182 0.522 711 HA CYS 96 HA CYS 96 0.993 3.585 1.209 712 1HB CYS 96 HB2 CYS 96 0.985 4.134 -1.150 713 2HB CYS 96 HB1 CYS 96 1.795 5.665 -0.836 714 H GLY 97 HN GLY 97 3.017 3.342 2.167 715 1HA GLY 97 HA2 GLY 97 4.412 5.747 3.067 716 2HA GLY 97 HA1 GLY 97 3.782 4.679 4.310 717 H ALA 98 HN ALA 98 6.286 4.950 4.631 718 HA ALA 98 HA ALA 98 7.469 2.473 3.621 719 1HB ALA 98 HB1 ALA 98 8.947 3.483 2.315 720 2HB ALA 98 HB2 ALA 98 9.553 4.397 3.696 721 3HB ALA 98 HB3 ALA 98 8.241 5.049 2.713 722 H GLY 99 HN GLY 99 9.485 1.907 4.833 723 1HA GLY 99 HA2 GLY 99 9.136 2.679 7.655 724 2HA GLY 99 HA1 GLY 99 9.787 1.144 7.106 725 H GLU 100 HN GLU 100 11.141 2.484 9.004 726 HA GLU 100 HA GLU 100 13.692 2.841 7.801 727 1HB GLU 100 HB2 GLU 100 12.053 5.213 8.309 728 2HB GLU 100 HB1 GLU 100 13.630 5.282 9.085 729 1HG GLU 100 HG2 GLU 100 14.200 4.380 6.542 730 2HG GLU 100 HG1 GLU 100 12.914 5.559 6.290 731 H GLY 101 HN GLY 101 15.039 1.956 9.216 732 1HA GLY 101 HA2 GLY 101 16.014 1.320 11.175 733 2HA GLY 101 HA1 GLY 101 15.290 2.748 11.896 734 H GLY 102 HN GLY 102 13.043 0.621 10.456 735 1HA GLY 102 HA2 GLY 102 12.012 -1.307 11.471 736 2HA GLY 102 HA1 GLY 102 12.537 -0.704 13.036 737 H THR 103 HN THR 103 11.613 2.049 11.803 738 HA THR 103 HA THR 103 8.865 1.776 12.778 739 HB THR 103 HB THR 103 10.386 4.315 12.268 740 HG1 THR 103 HG1 THR 103 11.612 3.070 13.692 741 1HG2 THR 103 HG21 THR 103 8.926 4.796 14.466 742 2HG2 THR 103 HG22 THR 103 7.875 3.645 13.641 743 3HG2 THR 103 HG23 THR 103 8.367 5.131 12.827 744 H TRP 104 HN TRP 104 7.461 3.666 11.690 745 HA TRP 104 HA TRP 104 7.887 3.666 8.793 746 1HB TRP 104 HB2 TRP 104 5.361 2.803 10.207 747 2HB TRP 104 HB1 TRP 104 5.422 3.218 8.497 748 HD1 TRP 104 HD1 TRP 104 6.831 0.602 10.960 749 HE1 TRP 104 HE1 TRP 104 7.380 -1.534 9.633 750 HE3 TRP 104 HE3 TRP 104 5.886 2.315 6.237 751 HZ2 TRP 104 HZ2 TRP 104 7.410 -2.380 6.938 752 HZ3 TRP 104 HZ3 TRP 104 6.201 0.781 4.340 753 HH2 TRP 104 HH2 TRP 104 6.948 -1.518 4.685 754 H ASP 105 HN ASP 105 8.522 5.864 9.171 755 HA ASP 105 HA ASP 105 6.303 7.661 9.852 756 1HB ASP 105 HB2 ASP 105 8.278 7.862 11.283 757 2HB ASP 105 HB1 ASP 105 9.252 8.220 9.867 758 H SER 106 HN SER 106 7.263 6.335 7.182 759 HA SER 106 HA SER 106 7.469 8.814 5.614 760 1HB SER 106 HB2 SER 106 9.094 6.699 5.441 761 2HB SER 106 HB1 SER 106 7.840 6.153 4.329 762 HG SER 106 HG SER 106 9.739 7.601 3.609 763 H TRP 107 HN TRP 107 5.839 9.450 4.348 764 HA TRP 107 HA TRP 107 3.772 7.510 3.597 765 1HB TRP 107 HB2 TRP 107 3.078 10.255 4.637 766 2HB TRP 107 HB1 TRP 107 1.980 8.925 4.284 767 HD1 TRP 107 HD1 TRP 107 4.155 10.340 7.018 768 HE1 TRP 107 HE1 TRP 107 3.883 8.920 9.148 769 HE3 TRP 107 HE3 TRP 107 1.541 6.413 5.048 770 HZ2 TRP 107 HZ2 TRP 107 2.714 6.460 9.893 771 HZ3 TRP 107 HZ3 TRP 107 0.884 4.567 6.536 772 HH2 TRP 107 HH2 TRP 107 1.459 4.592 8.909 773 H GLY 108 HN GLY 108 2.300 8.375 1.901 774 1HA GLY 108 HA2 GLY 108 3.861 10.026 0.024 775 2HA GLY 108 HA1 GLY 108 2.648 8.842 -0.439 776 H GLN 109 HN GLN 109 0.813 9.690 -1.144 777 HA GLN 109 HA GLN 109 0.006 12.319 -0.112 778 1HB GLN 109 HB2 GLN 109 0.683 12.001 -2.605 779 2HB GLN 109 HB1 GLN 109 -0.913 11.281 -2.761 780 1HG GLN 109 HG2 GLN 109 -0.520 13.995 -1.554 781 2HG GLN 109 HG1 GLN 109 -0.655 13.762 -3.296 782 1HE2 GLN 109 HE21 GLN 109 -2.614 13.255 -4.188 783 2HE2 GLN 109 HE22 GLN 109 -4.095 13.280 -3.299 784 H GLY 110 HN GLY 110 -1.183 9.202 -1.310 785 1HA GLY 110 HA2 GLY 110 -2.857 8.030 0.001 786 2HA GLY 110 HA1 GLY 110 -3.571 9.589 0.380 787 H THR 111 HN THR 111 -4.844 7.235 -0.744 788 HA THR 111 HA THR 111 -6.171 8.536 -2.957 789 HB THR 111 HB THR 111 -4.284 7.328 -4.042 790 HG1 THR 111 HG1 THR 111 -6.426 7.564 -5.022 791 1HG2 THR 111 HG21 THR 111 -5.429 4.685 -3.801 792 2HG2 THR 111 HG22 THR 111 -4.815 5.290 -2.263 793 3HG2 THR 111 HG23 THR 111 -3.752 5.212 -3.667 794 H GLN 112 HN GLN 112 -8.263 8.325 -2.481 795 HA GLN 112 HA GLN 112 -9.167 6.280 -0.689 796 1HB GLN 112 HB2 GLN 112 -9.961 8.848 -1.334 797 2HB GLN 112 HB1 GLN 112 -11.218 7.851 -2.031 798 1HG GLN 112 HG2 GLN 112 -10.505 7.050 0.671 799 2HG GLN 112 HG1 GLN 112 -11.072 8.714 0.573 800 1HE2 GLN 112 HE21 GLN 112 -12.058 6.010 -1.438 801 2HE2 GLN 112 HE22 GLN 112 -13.695 5.976 -0.921 802 H VAL 113 HN VAL 113 -10.536 4.588 -1.123 803 HA VAL 113 HA VAL 113 -10.932 3.940 -3.967 804 HB VAL 113 HB VAL 113 -10.394 2.159 -1.597 805 1HG1 VAL 113 HG11 VAL 113 -11.739 1.544 -4.155 806 2HG1 VAL 113 HG12 VAL 113 -11.851 0.737 -2.590 807 3HG1 VAL 113 HG13 VAL 113 -10.479 0.417 -3.651 808 1HG2 VAL 113 HG21 VAL 113 -8.425 3.120 -2.638 809 2HG2 VAL 113 HG22 VAL 113 -8.954 2.545 -4.219 810 3HG2 VAL 113 HG23 VAL 113 -8.504 1.389 -2.966 811 H THR 114 HN THR 114 -12.983 3.698 -4.622 812 HA THR 114 HA THR 114 -15.082 3.652 -2.578 813 HB THR 114 HB THR 114 -15.202 4.465 -5.488 814 HG1 THR 114 HG1 THR 114 -14.153 5.884 -3.889 815 1HG2 THR 114 HG21 THR 114 -17.335 4.336 -3.392 816 2HG2 THR 114 HG22 THR 114 -17.371 3.744 -5.053 817 3HG2 THR 114 HG23 THR 114 -17.419 5.478 -4.733 818 H VAL 115 HN VAL 115 -16.166 1.840 -2.247 819 HA VAL 115 HA VAL 115 -16.295 -0.144 -4.423 820 HB VAL 115 HB VAL 115 -16.553 -1.064 -1.600 821 1HG1 VAL 115 HG11 VAL 115 -14.841 -2.700 -3.090 822 2HG1 VAL 115 HG12 VAL 115 -16.097 -2.186 -4.215 823 3HG1 VAL 115 HG13 VAL 115 -16.538 -2.993 -2.711 824 1HG2 VAL 115 HG21 VAL 115 -13.862 -0.503 -2.844 825 2HG2 VAL 115 HG22 VAL 115 -14.171 -1.221 -1.264 826 3HG2 VAL 115 HG23 VAL 115 -14.596 0.463 -1.565 827 H SER 116 HN SER 116 -18.113 -1.827 -2.746 828 HA SER 116 HA SER 116 -20.325 -2.136 -2.379 829 1HB SER 116 HB2 SER 116 -20.283 0.866 -2.031 830 2HB SER 116 HB1 SER 116 -21.692 -0.142 -1.711 831 HG SER 116 HG SER 116 -20.772 -0.127 0.216 832 H SER 117 HN SER 117 -22.399 -1.975 -3.424 833 HA SER 117 HA SER 117 -22.191 -1.731 -6.232 834 1HB SER 117 HB2 SER 117 -24.900 -1.650 -5.034 835 2HB SER 117 HB1 SER 117 -24.252 -2.703 -6.292 836 HG SER 117 HG SER 117 -24.221 -2.999 -3.521 Start of MODEL 17 1 1H GLN 1 HT1 GLN 1 16.752 12.735 1.259 2 2H GLN 1 HT2 GLN 1 15.180 12.735 1.946 3 3H GLN 1 HT3 GLN 1 16.148 14.151 2.012 4 HA GLN 1 HA GLN 1 14.668 14.577 0.349 5 1HB GLN 1 HB2 GLN 1 17.378 13.675 -0.470 6 2HB GLN 1 HB1 GLN 1 16.232 14.007 -1.762 7 1HG GLN 1 HG2 GLN 1 15.856 16.230 -0.419 8 2HG GLN 1 HG1 GLN 1 17.461 15.860 0.211 9 1HE2 GLN 1 HE21 GLN 1 18.839 17.140 -0.796 10 2HE2 GLN 1 HE22 GLN 1 18.924 17.395 -2.503 11 H VAL 2 HN VAL 2 13.356 12.458 1.072 12 HA VAL 2 HA VAL 2 13.169 10.711 -1.291 13 HB VAL 2 HB VAL 2 11.663 9.503 0.713 14 1HG1 VAL 2 HG11 VAL 2 14.467 8.629 0.395 15 2HG1 VAL 2 HG12 VAL 2 13.498 8.741 -1.074 16 3HG1 VAL 2 HG13 VAL 2 12.967 7.712 0.256 17 1HG2 VAL 2 HG21 VAL 2 14.239 10.559 1.872 18 2HG2 VAL 2 HG22 VAL 2 13.266 9.275 2.590 19 3HG2 VAL 2 HG23 VAL 2 12.603 10.902 2.434 20 H GLN 3 HN GLN 3 11.033 10.038 -1.949 21 HA GLN 3 HA GLN 3 8.830 11.735 -1.034 22 1HB GLN 3 HB2 GLN 3 8.186 12.301 -3.316 23 2HB GLN 3 HB1 GLN 3 9.813 12.876 -2.978 24 1HG GLN 3 HG2 GLN 3 10.677 11.678 -4.630 25 2HG GLN 3 HG1 GLN 3 9.845 10.216 -4.103 26 1HE2 GLN 3 HE21 GLN 3 7.339 10.467 -4.507 27 2HE2 GLN 3 HE22 GLN 3 6.934 10.926 -6.122 28 H LEU 4 HN LEU 4 6.734 10.909 -1.538 29 HA LEU 4 HA LEU 4 6.611 8.205 -2.631 30 1HB LEU 4 HB2 LEU 4 5.600 8.968 0.107 31 2HB LEU 4 HB1 LEU 4 5.189 7.474 -0.714 32 HG LEU 4 HG LEU 4 7.942 7.451 -0.783 33 1HD1 LEU 4 HD11 LEU 4 7.475 9.442 0.970 34 2HD1 LEU 4 HD12 LEU 4 8.875 8.372 1.045 35 3HD1 LEU 4 HD13 LEU 4 7.467 8.053 2.057 36 1HD2 LEU 4 HD21 LEU 4 5.986 5.796 0.015 37 2HD2 LEU 4 HD22 LEU 4 6.671 6.225 1.582 38 3HD2 LEU 4 HD23 LEU 4 7.696 5.506 0.340 39 H GLN 5 HN GLN 5 5.007 8.098 -4.048 40 HA GLN 5 HA GLN 5 2.554 9.625 -3.556 41 1HB GLN 5 HB2 GLN 5 4.050 10.917 -5.093 42 2HB GLN 5 HB1 GLN 5 3.957 9.581 -6.231 43 1HG GLN 5 HG2 GLN 5 1.599 9.907 -6.510 44 2HG GLN 5 HG1 GLN 5 1.576 11.127 -5.238 45 1HE2 GLN 5 HE21 GLN 5 2.777 10.391 -8.457 46 2HE2 GLN 5 HE22 GLN 5 2.938 12.031 -8.975 47 H GLU 6 HN GLU 6 0.755 8.927 -4.992 48 HA GLU 6 HA GLU 6 0.964 6.043 -5.557 49 1HB GLU 6 HB2 GLU 6 -1.763 7.010 -5.324 50 2HB GLU 6 HB1 GLU 6 -0.966 5.704 -4.461 51 1HG GLU 6 HG2 GLU 6 -0.738 8.613 -3.727 52 2HG GLU 6 HG1 GLU 6 -1.879 7.483 -3.001 53 H SER 7 HN SER 7 -0.527 5.249 -7.275 54 HA SER 7 HA SER 7 -1.437 7.150 -9.238 55 1HB SER 7 HB2 SER 7 1.215 6.285 -9.450 56 2HB SER 7 HB1 SER 7 0.331 5.314 -10.627 57 HG SER 7 HG SER 7 1.172 7.545 -11.212 58 H GLY 8 HN GLY 8 -3.326 6.357 -9.861 59 1HA GLY 8 HA2 GLY 8 -4.420 4.622 -11.210 60 2HA GLY 8 HA1 GLY 8 -3.554 3.435 -10.247 61 H GLY 9 HN GLY 9 -4.037 4.878 -7.737 62 1HA GLY 9 HA2 GLY 9 -6.238 3.571 -6.785 63 2HA GLY 9 HA1 GLY 9 -5.594 5.037 -6.071 64 H GLY 10 HN GLY 10 -8.358 3.937 -6.563 65 1HA GLY 10 HA2 GLY 10 -9.745 6.316 -6.816 66 2HA GLY 10 HA1 GLY 10 -9.645 5.643 -8.436 67 H LEU 11 HN LEU 11 -11.969 5.534 -8.337 68 HA LEU 11 HA LEU 11 -13.322 3.946 -6.464 69 1HB LEU 11 HB2 LEU 11 -14.224 4.692 -9.233 70 2HB LEU 11 HB1 LEU 11 -15.245 4.202 -7.891 71 HG LEU 11 HG LEU 11 -13.785 6.353 -6.912 72 1HD1 LEU 11 HD11 LEU 11 -14.713 8.012 -8.803 73 2HD1 LEU 11 HD12 LEU 11 -14.288 6.627 -9.808 74 3HD1 LEU 11 HD13 LEU 11 -13.065 7.385 -8.789 75 1HD2 LEU 11 HD21 LEU 11 -15.949 7.496 -6.903 76 2HD2 LEU 11 HD22 LEU 11 -16.109 5.816 -6.391 77 3HD2 LEU 11 HD23 LEU 11 -16.592 6.291 -8.018 78 H VAL 12 HN VAL 12 -14.280 1.886 -6.723 79 HA VAL 12 HA VAL 12 -13.798 0.263 -9.020 80 HB VAL 12 HB VAL 12 -11.558 0.156 -8.089 81 1HG1 VAL 12 HG11 VAL 12 -11.033 -0.451 -5.912 82 2HG1 VAL 12 HG12 VAL 12 -12.612 -1.185 -5.630 83 3HG1 VAL 12 HG13 VAL 12 -12.455 0.570 -5.700 84 1HG2 VAL 12 HG21 VAL 12 -13.152 -2.378 -7.743 85 2HG2 VAL 12 HG22 VAL 12 -11.390 -2.309 -7.791 86 3HG2 VAL 12 HG23 VAL 12 -12.330 -1.823 -9.202 87 H GLN 13 HN GLN 13 -15.802 -0.553 -9.069 88 HA GLN 13 HA GLN 13 -17.479 -1.031 -6.922 89 1HB GLN 13 HB2 GLN 13 -18.904 -2.077 -8.463 90 2HB GLN 13 HB1 GLN 13 -18.018 -0.901 -9.409 91 1HG GLN 13 HG2 GLN 13 -16.430 -2.979 -9.818 92 2HG GLN 13 HG1 GLN 13 -17.918 -3.861 -9.478 93 1HE2 GLN 13 HE21 GLN 13 -19.769 -3.418 -10.800 94 2HE2 GLN 13 HE22 GLN 13 -19.561 -2.868 -12.425 95 H ALA 14 HN ALA 14 -18.128 -2.933 -5.855 96 HA ALA 14 HA ALA 14 -16.159 -4.577 -4.882 97 1HB ALA 14 HB1 ALA 14 -17.950 -4.755 -3.531 98 2HB ALA 14 HB2 ALA 14 -18.322 -6.154 -4.538 99 3HB ALA 14 HB3 ALA 14 -19.099 -4.603 -4.860 100 H GLY 15 HN GLY 15 -15.361 -6.590 -5.358 101 1HA GLY 15 HA2 GLY 15 -15.125 -8.597 -6.523 102 2HA GLY 15 HA1 GLY 15 -16.468 -8.129 -7.554 103 H GLY 16 HN GLY 16 -14.591 -5.481 -7.579 104 1HA GLY 16 HA2 GLY 16 -13.204 -6.378 -10.016 105 2HA GLY 16 HA1 GLY 16 -13.680 -4.722 -9.673 106 H SER 17 HN SER 17 -11.093 -6.705 -9.893 107 HA SER 17 HA SER 17 -9.555 -5.938 -7.639 108 1HB SER 17 HB2 SER 17 -7.827 -7.156 -8.596 109 2HB SER 17 HB1 SER 17 -9.238 -7.918 -9.319 110 HG SER 17 HG SER 17 -7.429 -7.271 -10.760 111 H LEU 18 HN LEU 18 -8.275 -4.234 -7.292 112 HA LEU 18 HA LEU 18 -7.943 -2.293 -9.483 113 1HB LEU 18 HB2 LEU 18 -9.468 -1.478 -7.750 114 2HB LEU 18 HB1 LEU 18 -8.243 -1.760 -6.527 115 HG LEU 18 HG LEU 18 -6.844 -0.121 -8.081 116 1HD1 LEU 18 HD11 LEU 18 -9.668 0.843 -8.485 117 2HD1 LEU 18 HD12 LEU 18 -8.708 0.036 -9.725 118 3HD1 LEU 18 HD13 LEU 18 -8.184 1.590 -9.076 119 1HD2 LEU 18 HD21 LEU 18 -7.674 1.747 -6.641 120 2HD2 LEU 18 HD22 LEU 18 -7.208 0.293 -5.758 121 3HD2 LEU 18 HD23 LEU 18 -8.913 0.649 -6.032 122 H ARG 19 HN ARG 19 -5.913 -1.669 -9.958 123 HA ARG 19 HA ARG 19 -3.761 -2.724 -8.260 124 1HB ARG 19 HB2 ARG 19 -3.743 -3.542 -10.552 125 2HB ARG 19 HB1 ARG 19 -3.732 -1.895 -11.162 126 1HG ARG 19 HG2 ARG 19 -1.547 -2.688 -9.325 127 2HG ARG 19 HG1 ARG 19 -1.528 -3.347 -10.962 128 1HD ARG 19 HD2 ARG 19 -2.078 -0.464 -10.776 129 2HD ARG 19 HD1 ARG 19 -0.467 -0.953 -10.255 130 HE ARG 19 HE ARG 19 -1.511 -0.981 -12.938 131 1HH1 ARG 19 HH11 ARG 19 0.890 -2.302 -10.778 132 2HH1 ARG 19 HH12 ARG 19 1.982 -2.730 -12.051 133 1HH2 ARG 19 HH21 ARG 19 -0.077 -1.543 -14.614 134 2HH2 ARG 19 HH22 ARG 19 1.434 -2.298 -14.229 135 H LEU 20 HN LEU 20 -2.657 -1.358 -7.045 136 HA LEU 20 HA LEU 20 -2.626 1.487 -7.781 137 1HB LEU 20 HB2 LEU 20 -2.000 0.382 -5.056 138 2HB LEU 20 HB1 LEU 20 -2.406 2.031 -5.491 139 HG LEU 20 HG LEU 20 -4.277 -0.333 -5.438 140 1HD1 LEU 20 HD11 LEU 20 -5.399 1.521 -3.871 141 2HD1 LEU 20 HD12 LEU 20 -3.701 1.935 -3.636 142 3HD1 LEU 20 HD13 LEU 20 -4.270 0.306 -3.270 143 1HD2 LEU 20 HD21 LEU 20 -4.442 2.233 -6.834 144 2HD2 LEU 20 HD22 LEU 20 -5.831 1.875 -5.807 145 3HD2 LEU 20 HD23 LEU 20 -5.356 0.744 -7.075 146 H SER 21 HN SER 21 -0.731 2.538 -8.008 147 HA SER 21 HA SER 21 1.735 0.965 -7.656 148 1HB SER 21 HB2 SER 21 2.654 2.226 -9.586 149 2HB SER 21 HB1 SER 21 1.244 1.261 -10.021 150 HG SER 21 HG SER 21 0.160 3.025 -10.436 151 H CYS 22 HN CYS 22 2.874 1.731 -6.018 152 HA CYS 22 HA CYS 22 2.892 4.636 -5.542 153 1HB CYS 22 HB2 CYS 22 2.006 3.512 -3.627 154 2HB CYS 22 HB1 CYS 22 3.294 2.316 -3.653 155 H ALA 23 HN ALA 23 4.766 5.718 -5.625 156 HA ALA 23 HA ALA 23 7.194 4.153 -6.197 157 1HB ALA 23 HB1 ALA 23 7.750 5.618 -7.799 158 2HB ALA 23 HB2 ALA 23 7.253 7.011 -6.839 159 3HB ALA 23 HB3 ALA 23 6.050 6.082 -7.734 160 H ALA 24 HN ALA 24 9.145 4.681 -5.213 161 HA ALA 24 HA ALA 24 9.202 6.766 -3.189 162 1HB ALA 24 HB1 ALA 24 10.082 4.109 -2.212 163 2HB ALA 24 HB2 ALA 24 8.347 4.414 -2.297 164 3HB ALA 24 HB3 ALA 24 9.381 5.467 -1.331 165 H SER 25 HN SER 25 10.747 7.547 -4.786 166 HA SER 25 HA SER 25 13.280 6.080 -4.887 167 1HB SER 25 HB2 SER 25 11.974 8.131 -6.590 168 2HB SER 25 HB1 SER 25 13.732 8.203 -6.480 169 HG SER 25 HG SER 25 13.735 5.960 -7.083 170 H GLY 26 HN GLY 26 15.299 7.366 -4.675 171 1HA GLY 26 HA2 GLY 26 15.996 9.688 -3.797 172 2HA GLY 26 HA1 GLY 26 15.024 9.225 -2.409 173 H ARG 27 HN ARG 27 16.756 9.308 -0.981 174 HA ARG 27 HA ARG 27 18.856 7.287 -1.405 175 1HB ARG 27 HB2 ARG 27 19.738 9.551 -1.224 176 2HB ARG 27 HB1 ARG 27 18.891 9.784 0.299 177 1HG ARG 27 HG2 ARG 27 20.533 8.843 1.457 178 2HG ARG 27 HG1 ARG 27 20.587 7.445 0.382 179 1HD ARG 27 HD2 ARG 27 22.392 8.219 -0.677 180 2HD ARG 27 HD1 ARG 27 21.680 9.820 -0.872 181 HE ARG 27 HE ARG 27 23.532 8.977 1.160 182 1HH1 ARG 27 HH11 ARG 27 21.051 11.285 0.327 183 2HH1 ARG 27 HH12 ARG 27 21.622 12.487 1.435 184 1HH2 ARG 27 HH21 ARG 27 24.283 10.555 2.619 185 2HH2 ARG 27 HH22 ARG 27 23.456 12.073 2.738 186 H THR 28 HN THR 28 18.223 5.466 -0.418 187 HA THR 28 HA THR 28 17.805 5.535 2.449 188 HB THR 28 HB THR 28 15.689 4.524 2.506 189 HG1 THR 28 HG1 THR 28 15.637 2.976 1.036 190 1HG2 THR 28 HG21 THR 28 14.175 5.882 1.196 191 2HG2 THR 28 HG22 THR 28 15.508 6.411 0.170 192 3HG2 THR 28 HG23 THR 28 15.468 6.871 1.872 193 H GLY 29 HN GLY 29 18.973 3.951 3.311 194 1HA GLY 29 HA2 GLY 29 19.156 1.384 1.934 195 2HA GLY 29 HA1 GLY 29 20.652 2.238 2.266 196 H SER 30 HN SER 30 17.831 2.169 4.363 197 HA SER 30 HA SER 30 19.419 0.645 6.324 198 1HB SER 30 HB2 SER 30 18.672 3.209 6.664 199 2HB SER 30 HB1 SER 30 17.237 2.406 7.299 200 HG SER 30 HG SER 30 19.559 2.772 8.505 201 H THR 31 HN THR 31 16.002 1.620 6.086 202 HA THR 31 HA THR 31 15.132 -1.107 5.748 203 HB THR 31 HB THR 31 13.881 -1.295 7.793 204 HG1 THR 31 HG1 THR 31 13.233 0.615 8.450 205 1HG2 THR 31 HG21 THR 31 16.270 -1.916 7.950 206 2HG2 THR 31 HG22 THR 31 15.568 -1.394 9.482 207 3HG2 THR 31 HG23 THR 31 16.609 -0.300 8.570 208 H TYR 32 HN TYR 32 14.872 1.281 4.246 209 HA TYR 32 HA TYR 32 12.345 2.504 4.634 210 1HB TYR 32 HB2 TYR 32 14.496 3.144 3.164 211 2HB TYR 32 HB1 TYR 32 13.501 2.422 1.905 212 HD1 TYR 32 HD1 TYR 32 13.886 5.242 4.190 213 HD2 TYR 32 HD2 TYR 32 11.376 3.453 1.257 214 HE1 TYR 32 HE1 TYR 32 12.643 7.353 3.974 215 HE2 TYR 32 HE2 TYR 32 10.127 5.558 1.032 216 HH TYR 32 HH TYR 32 11.223 8.502 2.404 217 H ASP 33 HN ASP 33 11.357 0.243 4.983 218 HA ASP 33 HA ASP 33 10.813 -1.477 2.849 219 1HB ASP 33 HB2 ASP 33 9.160 -0.880 5.312 220 2HB ASP 33 HB1 ASP 33 8.888 -2.243 4.231 221 H MET 34 HN MET 34 8.339 -1.838 2.219 222 HA MET 34 HA MET 34 7.079 0.722 1.591 223 1HB MET 34 HB2 MET 34 8.438 -0.993 -0.326 224 2HB MET 34 HB1 MET 34 6.755 -0.731 -0.760 225 1HG MET 34 HG2 MET 34 7.204 1.301 -1.499 226 2HG MET 34 HG1 MET 34 7.938 1.748 0.040 227 1HE MET 34 HE1 MET 34 9.591 2.549 -3.401 228 2HE MET 34 HE2 MET 34 8.065 1.671 -3.285 229 3HE MET 34 HE3 MET 34 9.500 0.865 -3.919 230 H GLY 35 HN GLY 35 5.032 0.604 2.212 231 1HA GLY 35 HA2 GLY 35 3.440 -1.725 1.520 232 2HA GLY 35 HA1 GLY 35 3.640 -1.435 3.240 233 H TRP 36 HN TRP 36 1.206 -1.399 1.614 234 HA TRP 36 HA TRP 36 0.429 1.385 1.541 235 1HB TRP 36 HB2 TRP 36 -1.036 -1.141 0.862 236 2HB TRP 36 HB1 TRP 36 -1.732 0.456 0.717 237 HD1 TRP 36 HD1 TRP 36 1.047 -1.720 -0.824 238 HE1 TRP 36 HE1 TRP 36 1.547 -0.838 -3.189 239 HE3 TRP 36 HE3 TRP 36 -1.922 2.445 -0.782 240 HZ2 TRP 36 HZ2 TRP 36 0.783 1.334 -4.826 241 HZ3 TRP 36 HZ3 TRP 36 -1.979 3.870 -2.788 242 HH2 TRP 36 HH2 TRP 36 -0.654 3.326 -4.765 243 H PHE 37 HN PHE 37 -1.341 2.229 2.681 244 HA PHE 37 HA PHE 37 -2.122 0.743 5.084 245 1HB PHE 37 HB2 PHE 37 -0.852 3.423 4.825 246 2HB PHE 37 HB1 PHE 37 -2.093 3.230 6.049 247 HD1 PHE 37 HD1 PHE 37 -1.353 2.727 8.159 248 HD2 PHE 37 HD2 PHE 37 0.885 1.355 4.808 249 HE1 PHE 37 HE1 PHE 37 0.309 1.737 9.678 250 HE2 PHE 37 HE2 PHE 37 2.548 0.358 6.322 251 HZ PHE 37 HZ PHE 37 2.262 0.549 8.760 252 H ARG 38 HN ARG 38 -3.895 2.294 6.229 253 HA ARG 38 HA ARG 38 -5.679 3.505 4.307 254 1HB ARG 38 HB2 ARG 38 -7.229 1.681 5.914 255 2HB ARG 38 HB1 ARG 38 -7.240 1.923 4.181 256 1HG ARG 38 HG2 ARG 38 -5.618 0.292 3.818 257 2HG ARG 38 HG1 ARG 38 -5.104 0.296 5.506 258 1HD ARG 38 HD2 ARG 38 -6.620 -1.630 4.552 259 2HD ARG 38 HD1 ARG 38 -6.851 -1.014 6.186 260 HE ARG 38 HE ARG 38 -8.448 0.286 4.161 261 1HH1 ARG 38 HH11 ARG 38 -8.279 -2.314 6.485 262 2HH1 ARG 38 HH12 ARG 38 -9.997 -2.475 6.616 263 1HH2 ARG 38 HH21 ARG 38 -10.709 0.075 4.333 264 2HH2 ARG 38 HH22 ARG 38 -11.378 -1.119 5.395 265 H GLN 39 HN GLN 39 -7.563 4.552 5.364 266 HA GLN 39 HA GLN 39 -7.580 4.815 8.213 267 1HB GLN 39 HB2 GLN 39 -5.627 6.287 7.238 268 2HB GLN 39 HB1 GLN 39 -6.937 7.387 6.833 269 1HG GLN 39 HG2 GLN 39 -7.064 8.116 8.917 270 2HG GLN 39 HG1 GLN 39 -7.197 6.475 9.545 271 1HE2 GLN 39 HE21 GLN 39 -5.955 7.453 11.322 272 2HE2 GLN 39 HE22 GLN 39 -4.232 7.480 11.200 273 H ALA 40 HN ALA 40 -9.256 6.260 8.980 274 HA ALA 40 HA ALA 40 -11.154 7.251 7.008 275 1HB ALA 40 HB1 ALA 40 -12.200 5.221 7.127 276 2HB ALA 40 HB2 ALA 40 -12.973 6.034 8.487 277 3HB ALA 40 HB3 ALA 40 -11.647 4.908 8.772 278 HA PRO 41 HA PRO 41 -11.880 10.394 9.993 279 1HB PRO 41 HB2 PRO 41 -14.581 10.794 9.859 280 2HB PRO 41 HB1 PRO 41 -13.450 11.364 8.627 281 1HG PRO 41 HG2 PRO 41 -15.174 8.919 8.630 282 2HG PRO 41 HG1 PRO 41 -14.839 10.051 7.307 283 1HD PRO 41 HD2 PRO 41 -13.610 7.654 7.498 284 2HD PRO 41 HD1 PRO 41 -12.796 9.084 6.829 285 H GLY 42 HN GLY 42 -12.091 10.545 12.121 286 1HA GLY 42 HA2 GLY 42 -12.715 10.044 14.279 287 2HA GLY 42 HA1 GLY 42 -14.112 9.202 13.620 288 H LYS 43 HN LYS 43 -11.428 7.995 12.095 289 HA LYS 43 HA LYS 43 -11.283 5.738 13.976 290 1HB LYS 43 HB2 LYS 43 -12.114 5.640 11.452 291 2HB LYS 43 HB1 LYS 43 -10.390 5.514 11.150 292 1HG LYS 43 HG2 LYS 43 -10.548 3.334 11.527 293 2HG LYS 43 HG1 LYS 43 -10.915 3.701 13.214 294 1HD LYS 43 HD2 LYS 43 -13.126 3.286 12.962 295 2HD LYS 43 HD1 LYS 43 -13.167 3.931 11.319 296 1HE LYS 43 HE2 LYS 43 -13.541 1.669 10.984 297 2HE LYS 43 HE1 LYS 43 -11.805 1.817 10.712 298 1HZ LYS 43 HZ1 LYS 43 -11.976 -0.007 12.097 299 2HZ LYS 43 HZ2 LYS 43 -13.220 0.663 13.026 300 3HZ LYS 43 HZ3 LYS 43 -11.637 1.236 13.194 301 H GLU 44 HN GLU 44 -9.084 4.448 13.245 302 HA GLU 44 HA GLU 44 -6.924 6.395 13.654 303 1HB GLU 44 HB2 GLU 44 -5.689 4.620 14.782 304 2HB GLU 44 HB1 GLU 44 -7.257 4.855 15.539 305 1HG GLU 44 HG2 GLU 44 -7.921 2.926 13.831 306 2HG GLU 44 HG1 GLU 44 -6.209 2.550 14.016 307 H ARG 45 HN ARG 45 -4.729 4.908 13.108 308 HA ARG 45 HA ARG 45 -4.930 4.624 10.219 309 1HB ARG 45 HB2 ARG 45 -2.674 5.053 10.115 310 2HB ARG 45 HB1 ARG 45 -3.082 5.896 11.601 311 1HG ARG 45 HG2 ARG 45 -2.437 3.658 12.746 312 2HG ARG 45 HG1 ARG 45 -1.601 3.331 11.227 313 1HD ARG 45 HD2 ARG 45 -1.099 5.504 13.229 314 2HD ARG 45 HD1 ARG 45 0.030 4.320 12.572 315 HE ARG 45 HE ARG 45 -0.654 5.745 10.394 316 1HH1 ARG 45 HH11 ARG 45 0.450 6.687 13.569 317 2HH1 ARG 45 HH12 ARG 45 1.225 8.130 13.008 318 1HH2 ARG 45 HH21 ARG 45 0.364 7.641 9.654 319 2HH2 ARG 45 HH22 ARG 45 1.178 8.672 10.784 320 H GLU 46 HN GLU 46 -4.832 2.753 9.138 321 HA GLU 46 HA GLU 46 -3.989 0.332 10.577 322 1HB GLU 46 HB2 GLU 46 -5.847 -0.917 9.586 323 2HB GLU 46 HB1 GLU 46 -6.438 0.404 10.585 324 1HG GLU 46 HG2 GLU 46 -6.664 1.748 8.469 325 2HG GLU 46 HG1 GLU 46 -6.352 0.253 7.589 326 H SER 47 HN SER 47 -2.584 -0.893 9.449 327 HA SER 47 HA SER 47 -1.871 -0.059 6.783 328 1HB SER 47 HB2 SER 47 -0.183 -0.641 8.576 329 2HB SER 47 HB1 SER 47 -0.659 -2.316 8.377 330 HG SER 47 HG SER 47 0.051 -0.868 6.098 331 H VAL 48 HN VAL 48 -1.303 -1.859 5.235 332 HA VAL 48 HA VAL 48 -3.411 -3.913 5.222 333 HB VAL 48 HB VAL 48 -2.448 -2.582 2.721 334 1HG1 VAL 48 HG11 VAL 48 -4.241 -3.638 1.657 335 2HG1 VAL 48 HG12 VAL 48 -5.059 -3.976 3.182 336 3HG1 VAL 48 HG13 VAL 48 -3.598 -4.864 2.749 337 1HG2 VAL 48 HG21 VAL 48 -5.074 -1.734 3.294 338 2HG2 VAL 48 HG22 VAL 48 -3.614 -0.752 3.185 339 3HG2 VAL 48 HG23 VAL 48 -4.106 -1.430 4.736 340 H ALA 49 HN ALA 49 -0.622 -3.070 3.174 341 HA ALA 49 HA ALA 49 0.580 -5.659 3.797 342 1HB ALA 49 HB1 ALA 49 0.708 -6.431 1.614 343 2HB ALA 49 HB2 ALA 49 0.399 -4.836 0.927 344 3HB ALA 49 HB3 ALA 49 -0.912 -5.738 1.688 345 H ALA 50 HN ALA 50 2.697 -5.525 4.084 346 HA ALA 50 HA ALA 50 4.144 -3.282 2.850 347 1HB ALA 50 HB1 ALA 50 5.462 -3.514 5.189 348 2HB ALA 50 HB2 ALA 50 3.817 -3.898 5.703 349 3HB ALA 50 HB3 ALA 50 4.157 -2.364 4.902 350 H ILE 51 HN ILE 51 6.234 -3.682 2.232 351 HA ILE 51 HA ILE 51 7.173 -6.454 2.572 352 HB ILE 51 HB ILE 51 6.500 -6.095 0.275 353 1HG1 ILE 51 HG12 ILE 51 9.424 -5.959 -0.090 354 2HG1 ILE 51 HG11 ILE 51 8.872 -7.151 1.082 355 1HG2 ILE 51 HG21 ILE 51 8.346 -4.333 -0.809 356 2HG2 ILE 51 HG22 ILE 51 7.789 -3.539 0.664 357 3HG2 ILE 51 HG23 ILE 51 6.625 -4.040 -0.562 358 1HD1 ILE 51 HD11 ILE 51 9.079 -7.538 -1.609 359 2HD1 ILE 51 HD12 ILE 51 7.362 -7.188 -1.409 360 3HD1 ILE 51 HD13 ILE 51 8.104 -8.509 -0.506 361 H ASN 52 HN ASN 52 9.214 -6.777 3.206 362 HA ASN 52 HA ASN 52 10.676 -4.595 4.294 363 1HB ASN 52 HB2 ASN 52 12.337 -6.469 4.778 364 2HB ASN 52 HB1 ASN 52 10.750 -6.595 5.511 365 1HD2 ASN 52 HD21 ASN 52 12.449 -7.558 2.549 366 2HD2 ASN 52 HD22 ASN 52 11.742 -9.129 2.458 367 H TRP 53 HN TRP 53 13.119 -4.522 3.903 368 HA TRP 53 HA TRP 53 13.634 -4.623 1.007 369 1HB TRP 53 HB2 TRP 53 13.567 -2.395 2.646 370 2HB TRP 53 HB1 TRP 53 15.279 -2.771 2.543 371 HD1 TRP 53 HD1 TRP 53 13.397 -0.336 1.094 372 HE1 TRP 53 HE1 TRP 53 13.881 0.101 -1.395 373 HE3 TRP 53 HE3 TRP 53 15.763 -4.712 -0.047 374 HZ2 TRP 53 HZ2 TRP 53 15.107 -1.237 -3.559 375 HZ3 TRP 53 HZ3 TRP 53 16.563 -5.061 -2.349 376 HH2 TRP 53 HH2 TRP 53 16.240 -3.356 -4.068 377 H ASP 54 HN ASP 54 14.147 -6.737 2.921 378 HA ASP 54 HA ASP 54 17.075 -6.866 2.673 379 1HB ASP 54 HB2 ASP 54 15.784 -6.643 5.081 380 2HB ASP 54 HB1 ASP 54 15.942 -8.389 4.918 381 H SER 55 HN SER 55 14.710 -7.944 1.106 382 HA SER 55 HA SER 55 14.147 -9.836 -0.021 383 1HB SER 55 HB2 SER 55 16.579 -9.790 -0.549 384 2HB SER 55 HB1 SER 55 16.874 -10.812 0.857 385 HG SER 55 HG SER 55 15.428 -12.353 -0.157 386 H ALA 56 HN ALA 56 12.457 -10.496 1.302 387 HA ALA 56 HA ALA 56 12.914 -12.977 2.700 388 1HB ALA 56 HB1 ALA 56 11.516 -11.871 4.690 389 2HB ALA 56 HB2 ALA 56 12.406 -10.449 4.148 390 3HB ALA 56 HB3 ALA 56 13.279 -11.894 4.656 391 H ARG 57 HN ARG 57 10.365 -10.494 2.881 392 HA ARG 57 HA ARG 57 8.602 -11.669 1.058 393 1HB ARG 57 HB2 ARG 57 8.814 -13.287 3.228 394 2HB ARG 57 HB1 ARG 57 7.477 -12.259 3.721 395 1HG ARG 57 HG2 ARG 57 6.285 -13.857 2.663 396 2HG ARG 57 HG1 ARG 57 6.645 -12.848 1.260 397 1HD ARG 57 HD2 ARG 57 8.733 -14.306 0.988 398 2HD ARG 57 HD1 ARG 57 7.951 -15.413 2.115 399 HE ARG 57 HE ARG 57 6.047 -15.003 0.243 400 1HH1 ARG 57 HH11 ARG 57 9.402 -15.940 0.056 401 2HH1 ARG 57 HH12 ARG 57 9.190 -16.880 -1.382 402 1HH2 ARG 57 HH21 ARG 57 5.764 -16.238 -1.650 403 2HH2 ARG 57 HH22 ARG 57 7.124 -17.050 -2.352 404 H THR 58 HN THR 58 6.140 -11.155 2.175 405 HA THR 58 HA THR 58 6.306 -8.268 2.720 406 HB THR 58 HB THR 58 3.706 -9.251 1.834 407 HG1 THR 58 HG1 THR 58 5.950 -9.582 0.139 408 1HG2 THR 58 HG21 THR 58 3.592 -7.157 1.161 409 2HG2 THR 58 HG22 THR 58 4.849 -7.479 -0.033 410 3HG2 THR 58 HG23 THR 58 5.287 -6.910 1.577 411 H TYR 59 HN TYR 59 3.989 -7.590 3.694 412 HA TYR 59 HA TYR 59 3.306 -9.412 5.885 413 1HB TYR 59 HB2 TYR 59 4.894 -7.943 6.891 414 2HB TYR 59 HB1 TYR 59 4.170 -6.531 6.135 415 HD1 TYR 59 HD1 TYR 59 3.251 -9.291 8.486 416 HD2 TYR 59 HD2 TYR 59 2.777 -5.203 7.406 417 HE1 TYR 59 HE1 TYR 59 1.854 -8.931 10.479 418 HE2 TYR 59 HE2 TYR 59 1.381 -4.832 9.396 419 HH TYR 59 HH TYR 59 1.314 -6.535 11.940 420 H TYR 60 HN TYR 60 1.269 -9.841 5.091 421 HA TYR 60 HA TYR 60 -0.475 -7.688 4.277 422 1HB TYR 60 HB2 TYR 60 -1.074 -10.633 4.598 423 2HB TYR 60 HB1 TYR 60 -2.051 -9.451 3.750 424 HD1 TYR 60 HD1 TYR 60 0.954 -8.335 2.787 425 HD2 TYR 60 HD2 TYR 60 -1.412 -11.845 2.349 426 HE1 TYR 60 HE1 TYR 60 2.134 -8.866 0.699 427 HE2 TYR 60 HE2 TYR 60 -0.235 -12.384 0.259 428 HH TYR 60 HH TYR 60 2.087 -11.823 -0.744 429 H ALA 61 HN ALA 61 -2.583 -7.364 5.226 430 HA ALA 61 HA ALA 61 -2.523 -7.685 8.138 431 1HB ALA 61 HB1 ALA 61 -4.674 -6.100 7.660 432 2HB ALA 61 HB2 ALA 61 -3.645 -5.697 6.286 433 3HB ALA 61 HB3 ALA 61 -3.037 -5.502 7.930 434 H SER 62 HN SER 62 -4.628 -8.183 9.221 435 HA SER 62 HA SER 62 -5.808 -10.471 7.952 436 1HB SER 62 HB2 SER 62 -6.066 -9.239 10.683 437 2HB SER 62 HB1 SER 62 -7.152 -10.527 10.162 438 HG SER 62 HG SER 62 -5.248 -11.788 9.741 439 H SER 63 HN SER 63 -6.356 -7.972 6.706 440 HA SER 63 HA SER 63 -9.278 -7.857 7.013 441 1HB SER 63 HB2 SER 63 -7.255 -5.708 6.669 442 2HB SER 63 HB1 SER 63 -8.758 -5.524 5.765 443 HG SER 63 HG SER 63 -9.524 -4.803 7.579 444 H VAL 64 HN VAL 64 -6.551 -8.253 4.931 445 HA VAL 64 HA VAL 64 -8.294 -9.099 2.766 446 HB VAL 64 HB VAL 64 -7.003 -7.807 1.084 447 1HG1 VAL 64 HG11 VAL 64 -8.494 -6.244 3.184 448 2HG1 VAL 64 HG12 VAL 64 -9.143 -6.955 1.706 449 3HG1 VAL 64 HG13 VAL 64 -8.033 -5.589 1.614 450 1HG2 VAL 64 HG21 VAL 64 -6.038 -5.835 3.017 451 2HG2 VAL 64 HG22 VAL 64 -5.253 -6.499 1.584 452 3HG2 VAL 64 HG23 VAL 64 -5.212 -7.391 3.105 453 H ARG 65 HN ARG 65 -6.139 -10.135 4.729 454 HA ARG 65 HA ARG 65 -3.945 -10.919 3.136 455 1HB ARG 65 HB2 ARG 65 -3.490 -10.836 5.416 456 2HB ARG 65 HB1 ARG 65 -4.983 -11.649 5.846 457 1HG ARG 65 HG2 ARG 65 -4.132 -13.729 5.447 458 2HG ARG 65 HG1 ARG 65 -2.930 -13.138 4.300 459 1HD ARG 65 HD2 ARG 65 -2.650 -12.154 7.062 460 2HD ARG 65 HD1 ARG 65 -2.371 -13.881 6.842 461 HE ARG 65 HE ARG 65 -0.618 -11.796 6.117 462 1HH1 ARG 65 HH11 ARG 65 -1.819 -14.856 4.946 463 2HH1 ARG 65 HH12 ARG 65 -0.398 -15.200 4.017 464 1HH2 ARG 65 HH21 ARG 65 1.251 -12.246 4.895 465 2HH2 ARG 65 HH22 ARG 65 1.345 -13.719 3.988 466 H GLY 66 HN GLY 66 -5.005 -11.718 1.339 467 1HA GLY 66 HA2 GLY 66 -4.936 -14.254 0.698 468 2HA GLY 66 HA1 GLY 66 -6.442 -14.244 1.600 469 H ARG 67 HN ARG 67 -6.435 -11.286 0.324 470 HA ARG 67 HA ARG 67 -7.646 -12.166 -2.215 471 1HB ARG 67 HB2 ARG 67 -9.242 -10.252 -1.942 472 2HB ARG 67 HB1 ARG 67 -9.442 -11.545 -0.767 473 1HG ARG 67 HG2 ARG 67 -8.511 -10.274 0.962 474 2HG ARG 67 HG1 ARG 67 -7.812 -9.105 -0.159 475 1HD ARG 67 HD2 ARG 67 -9.634 -7.848 -0.011 476 2HD ARG 67 HD1 ARG 67 -10.625 -9.188 -0.585 477 HE ARG 67 HE ARG 67 -10.304 -9.785 2.015 478 1HH1 ARG 67 HH11 ARG 67 -11.285 -6.852 0.394 479 2HH1 ARG 67 HH12 ARG 67 -12.285 -6.316 1.702 480 1HH2 ARG 67 HH21 ARG 67 -11.621 -9.081 3.734 481 2HH2 ARG 67 HH22 ARG 67 -12.476 -7.581 3.598 482 H PHE 68 HN PHE 68 -5.917 -9.611 -0.507 483 HA PHE 68 HA PHE 68 -5.556 -8.050 -2.914 484 1HB PHE 68 HB2 PHE 68 -4.679 -7.746 -0.055 485 2HB PHE 68 HB1 PHE 68 -4.003 -6.724 -1.317 486 HD1 PHE 68 HD1 PHE 68 -7.461 -7.812 -1.632 487 HD2 PHE 68 HD2 PHE 68 -4.889 -4.758 -0.157 488 HE1 PHE 68 HE1 PHE 68 -9.386 -6.294 -1.429 489 HE2 PHE 68 HE2 PHE 68 -6.810 -3.236 0.048 490 HZ PHE 68 HZ PHE 68 -9.062 -4.003 -0.588 491 H THR 69 HN THR 69 -3.526 -7.577 -3.876 492 HA THR 69 HA THR 69 -1.419 -9.567 -3.339 493 HB THR 69 HB THR 69 -2.204 -8.494 -6.056 494 HG1 THR 69 HG1 THR 69 -2.803 -10.935 -4.761 495 1HG2 THR 69 HG21 THR 69 0.166 -9.202 -5.828 496 2HG2 THR 69 HG22 THR 69 -0.766 -10.145 -6.990 497 3HG2 THR 69 HG23 THR 69 -0.408 -10.813 -5.397 498 H ILE 70 HN ILE 70 0.730 -8.917 -3.822 499 HA ILE 70 HA ILE 70 1.190 -6.067 -4.277 500 HB ILE 70 HB ILE 70 1.044 -6.238 -1.870 501 1HG1 ILE 70 HG12 ILE 70 3.813 -5.954 -1.608 502 2HG1 ILE 70 HG11 ILE 70 3.474 -5.481 -3.269 503 1HG2 ILE 70 HG21 ILE 70 3.054 -8.450 -2.188 504 2HG2 ILE 70 HG22 ILE 70 1.437 -8.539 -1.486 505 3HG2 ILE 70 HG23 ILE 70 2.720 -7.660 -0.646 506 1HD1 ILE 70 HD11 ILE 70 2.438 -3.597 -2.653 507 2HD1 ILE 70 HD12 ILE 70 3.334 -3.824 -1.151 508 3HD1 ILE 70 HD13 ILE 70 1.656 -4.354 -1.266 509 H SER 71 HN SER 71 3.055 -5.646 -5.368 510 HA SER 71 HA SER 71 5.262 -7.467 -5.429 511 1HB SER 71 HB2 SER 71 5.154 -8.090 -7.771 512 2HB SER 71 HB1 SER 71 3.661 -8.590 -6.977 513 HG SER 71 HG SER 71 3.789 -7.209 -9.122 514 H ARG 72 HN ARG 72 7.103 -6.434 -5.984 515 HA ARG 72 HA ARG 72 6.898 -3.606 -6.614 516 1HB ARG 72 HB2 ARG 72 9.325 -3.565 -6.163 517 2HB ARG 72 HB1 ARG 72 8.408 -4.254 -4.830 518 1HG ARG 72 HG2 ARG 72 9.054 -6.449 -6.375 519 2HG ARG 72 HG1 ARG 72 10.495 -5.435 -6.460 520 1HD ARG 72 HD2 ARG 72 10.947 -6.622 -4.556 521 2HD ARG 72 HD1 ARG 72 10.105 -5.235 -3.867 522 HE ARG 72 HE ARG 72 8.380 -6.618 -3.261 523 1HH1 ARG 72 HH11 ARG 72 10.449 -8.297 -5.515 524 2HH1 ARG 72 HH12 ARG 72 9.669 -9.825 -5.286 525 1HH2 ARG 72 HH21 ARG 72 7.352 -8.627 -2.959 526 2HH2 ARG 72 HH22 ARG 72 7.908 -10.012 -3.837 527 H ASP 73 HN ASP 73 8.518 -2.686 -8.188 528 HA ASP 73 HA ASP 73 8.331 -4.202 -10.676 529 1HB ASP 73 HB2 ASP 73 7.695 -1.669 -10.283 530 2HB ASP 73 HB1 ASP 73 9.416 -1.419 -10.554 531 H ASN 74 HN ASN 74 10.692 -2.937 -8.437 532 HA ASN 74 HA ASN 74 12.934 -3.250 -8.230 533 1HB ASN 74 HB2 ASN 74 11.956 -5.664 -9.115 534 2HB ASN 74 HB1 ASN 74 13.215 -5.316 -10.296 535 1HD2 ASN 74 HD21 ASN 74 12.509 -5.951 -6.955 536 2HD2 ASN 74 HD22 ASN 74 14.134 -6.269 -6.462 537 H ALA 75 HN ALA 75 11.828 -1.441 -10.270 538 HA ALA 75 HA ALA 75 14.125 -1.371 -12.104 539 1HB ALA 75 HB1 ALA 75 12.735 -0.332 -13.769 540 2HB ALA 75 HB2 ALA 75 11.376 -0.262 -12.646 541 3HB ALA 75 HB3 ALA 75 11.960 -1.821 -13.228 542 H LYS 76 HN LYS 76 11.702 0.699 -10.516 543 HA LYS 76 HA LYS 76 13.814 2.698 -10.090 544 1HB LYS 76 HB2 LYS 76 11.145 3.061 -11.373 545 2HB LYS 76 HB1 LYS 76 11.769 4.362 -10.367 546 1HG LYS 76 HG2 LYS 76 13.116 3.171 -12.782 547 2HG LYS 76 HG1 LYS 76 12.324 4.745 -12.687 548 1HD LYS 76 HD2 LYS 76 14.039 5.025 -10.663 549 2HD LYS 76 HD1 LYS 76 14.952 3.865 -11.630 550 1HE LYS 76 HE2 LYS 76 14.209 5.595 -13.552 551 2HE LYS 76 HE1 LYS 76 14.285 6.690 -12.173 552 1HZ LYS 76 HZ1 LYS 76 16.563 5.725 -11.760 553 2HZ LYS 76 HZ2 LYS 76 16.412 6.705 -13.131 554 3HZ LYS 76 HZ3 LYS 76 16.458 5.023 -13.296 555 H LYS 77 HN LYS 77 12.715 0.665 -8.331 556 HA LYS 77 HA LYS 77 12.058 0.432 -6.169 557 1HB LYS 77 HB2 LYS 77 12.872 3.297 -6.308 558 2HB LYS 77 HB1 LYS 77 12.006 2.754 -4.878 559 1HG LYS 77 HG2 LYS 77 14.108 0.906 -5.533 560 2HG LYS 77 HG1 LYS 77 14.743 2.547 -5.399 561 1HD LYS 77 HD2 LYS 77 12.901 1.415 -3.318 562 2HD LYS 77 HD1 LYS 77 14.637 1.099 -3.273 563 1HE LYS 77 HE2 LYS 77 15.152 3.244 -2.728 564 2HE LYS 77 HE1 LYS 77 13.797 3.914 -3.636 565 1HZ LYS 77 HZ1 LYS 77 12.496 2.649 -1.703 566 2HZ LYS 77 HZ2 LYS 77 12.998 4.259 -1.573 567 3HZ LYS 77 HZ3 LYS 77 13.920 3.027 -0.871 568 H THR 78 HN THR 78 10.004 0.326 -7.870 569 HA THR 78 HA THR 78 7.895 1.967 -6.627 570 HB THR 78 HB THR 78 8.008 0.713 -9.376 571 HG1 THR 78 HG1 THR 78 7.863 2.910 -10.017 572 1HG2 THR 78 HG21 THR 78 5.755 2.239 -8.092 573 2HG2 THR 78 HG22 THR 78 5.727 0.560 -8.632 574 3HG2 THR 78 HG23 THR 78 5.875 1.863 -9.811 575 H VAL 79 HN VAL 79 5.927 0.973 -6.080 576 HA VAL 79 HA VAL 79 6.031 -1.967 -5.911 577 HB VAL 79 HB VAL 79 4.815 -1.852 -3.798 578 1HG1 VAL 79 HG11 VAL 79 7.092 -0.074 -3.216 579 2HG1 VAL 79 HG12 VAL 79 7.460 -1.520 -4.157 580 3HG1 VAL 79 HG13 VAL 79 6.700 -1.668 -2.573 581 1HG2 VAL 79 HG21 VAL 79 4.129 0.687 -4.531 582 2HG2 VAL 79 HG22 VAL 79 5.360 0.982 -3.304 583 3HG2 VAL 79 HG23 VAL 79 3.938 0.014 -2.913 584 H TYR 80 HN TYR 80 4.123 -3.089 -6.244 585 HA TYR 80 HA TYR 80 1.800 -1.502 -7.090 586 1HB TYR 80 HB2 TYR 80 2.765 -3.987 -8.499 587 2HB TYR 80 HB1 TYR 80 1.435 -2.945 -8.983 588 HD1 TYR 80 HD1 TYR 80 2.329 -0.320 -9.063 589 HD2 TYR 80 HD2 TYR 80 4.580 -3.840 -9.857 590 HE1 TYR 80 HE1 TYR 80 3.868 0.985 -10.467 591 HE2 TYR 80 HE2 TYR 80 6.123 -2.545 -11.259 592 HH TYR 80 HH TYR 80 5.637 0.020 -12.640 593 H LEU 81 HN LEU 81 0.087 -2.007 -5.895 594 HA LEU 81 HA LEU 81 -0.114 -4.748 -4.854 595 1HB LEU 81 HB2 LEU 81 -0.341 -3.892 -2.820 596 2HB LEU 81 HB1 LEU 81 -0.136 -2.283 -3.475 597 HG LEU 81 HG LEU 81 -2.877 -3.402 -3.648 598 1HD1 LEU 81 HD11 LEU 81 -1.399 -3.201 -1.124 599 2HD1 LEU 81 HD12 LEU 81 -2.873 -4.087 -1.515 600 3HD1 LEU 81 HD13 LEU 81 -2.952 -2.364 -1.147 601 1HD2 LEU 81 HD21 LEU 81 -1.516 -0.835 -3.558 602 2HD2 LEU 81 HD22 LEU 81 -2.913 -0.906 -2.484 603 3HD2 LEU 81 HD23 LEU 81 -3.102 -1.255 -4.202 604 H GLN 82 HN GLN 82 -1.562 -5.894 -5.889 605 HA GLN 82 HA GLN 82 -3.769 -4.594 -7.263 606 1HB GLN 82 HB2 GLN 82 -2.143 -6.542 -8.077 607 2HB GLN 82 HB1 GLN 82 -3.389 -7.526 -7.334 608 1HG GLN 82 HG2 GLN 82 -5.039 -6.768 -8.812 609 2HG GLN 82 HG1 GLN 82 -4.052 -5.407 -9.341 610 1HE2 GLN 82 HE21 GLN 82 -4.723 -8.770 -9.700 611 2HE2 GLN 82 HE22 GLN 82 -3.714 -9.046 -11.074 612 H MET 83 HN MET 83 -5.336 -4.110 -5.800 613 HA MET 83 HA MET 83 -6.106 -5.957 -3.735 614 1HB MET 83 HB2 MET 83 -7.603 -3.491 -4.601 615 2HB MET 83 HB1 MET 83 -7.653 -4.291 -3.039 616 1HG MET 83 HG2 MET 83 -5.789 -3.303 -2.313 617 2HG MET 83 HG1 MET 83 -5.013 -3.347 -3.891 618 1HE MET 83 HE1 MET 83 -5.077 -0.628 -1.707 619 2HE MET 83 HE2 MET 83 -6.554 -1.469 -1.236 620 3HE MET 83 HE3 MET 83 -6.636 0.188 -1.834 621 H ASN 84 HN ASN 84 -6.758 -7.803 -4.912 622 HA ASN 84 HA ASN 84 -8.984 -7.574 -6.745 623 1HB ASN 84 HB2 ASN 84 -8.239 -10.288 -5.979 624 2HB ASN 84 HB1 ASN 84 -8.304 -9.540 -7.563 625 1HD2 ASN 84 HD21 ASN 84 -6.455 -9.677 -8.583 626 2HD2 ASN 84 HD22 ASN 84 -4.886 -9.543 -7.873 627 H SER 85 HN SER 85 -10.668 -9.446 -6.439 628 HA SER 85 HA SER 85 -12.655 -9.803 -5.323 629 1HB SER 85 HB2 SER 85 -10.769 -11.551 -4.643 630 2HB SER 85 HB1 SER 85 -11.052 -10.858 -3.046 631 HG SER 85 HG SER 85 -12.794 -12.010 -2.957 632 H LEU 86 HN LEU 86 -12.108 -7.172 -4.926 633 HA LEU 86 HA LEU 86 -11.840 -6.306 -2.287 634 1HB LEU 86 HB2 LEU 86 -12.379 -5.143 -4.815 635 2HB LEU 86 HB1 LEU 86 -13.600 -4.553 -3.703 636 HG LEU 86 HG LEU 86 -11.499 -4.108 -2.160 637 1HD1 LEU 86 HD11 LEU 86 -10.360 -4.088 -4.949 638 2HD1 LEU 86 HD12 LEU 86 -9.834 -5.077 -3.586 639 3HD1 LEU 86 HD13 LEU 86 -9.594 -3.330 -3.553 640 1HD2 LEU 86 HD21 LEU 86 -12.280 -2.056 -2.475 641 2HD2 LEU 86 HD22 LEU 86 -13.075 -2.566 -3.964 642 3HD2 LEU 86 HD23 LEU 86 -11.417 -1.966 -4.010 643 H LYS 87 HN LYS 87 -13.509 -5.282 -0.937 644 HA LYS 87 HA LYS 87 -16.077 -6.732 -1.113 645 1HB LYS 87 HB2 LYS 87 -14.116 -6.680 1.011 646 2HB LYS 87 HB1 LYS 87 -15.671 -6.096 1.586 647 1HG LYS 87 HG2 LYS 87 -16.527 -8.143 1.611 648 2HG LYS 87 HG1 LYS 87 -15.969 -8.474 -0.030 649 1HD LYS 87 HD2 LYS 87 -14.109 -9.542 0.682 650 2HD LYS 87 HD1 LYS 87 -13.879 -8.449 2.047 651 1HE LYS 87 HE2 LYS 87 -14.383 -10.552 2.988 652 2HE LYS 87 HE1 LYS 87 -15.859 -9.598 3.126 653 1HZ LYS 87 HZ1 LYS 87 -16.230 -10.778 0.764 654 2HZ LYS 87 HZ2 LYS 87 -16.780 -11.421 2.228 655 3HZ LYS 87 HZ3 LYS 87 -15.332 -11.975 1.554 656 HA PRO 88 HA PRO 88 -18.172 -2.898 -0.507 657 1HB PRO 88 HB2 PRO 88 -20.232 -3.472 1.106 658 2HB PRO 88 HB1 PRO 88 -20.099 -4.176 -0.510 659 1HG PRO 88 HG2 PRO 88 -19.440 -5.390 2.144 660 2HG PRO 88 HG1 PRO 88 -20.268 -6.117 0.756 661 1HD PRO 88 HD2 PRO 88 -17.610 -6.499 1.339 662 2HD PRO 88 HD1 PRO 88 -18.302 -6.646 -0.288 663 H GLU 89 HN GLU 89 -16.152 -3.850 1.798 664 HA GLU 89 HA GLU 89 -16.845 -1.604 3.558 665 1HB GLU 89 HB2 GLU 89 -16.033 -4.393 4.333 666 2HB GLU 89 HB1 GLU 89 -15.786 -3.033 5.420 667 1HG GLU 89 HG2 GLU 89 -18.385 -2.688 4.747 668 2HG GLU 89 HG1 GLU 89 -18.247 -4.444 4.683 669 H ASP 90 HN ASP 90 -14.787 -2.328 1.289 670 HA ASP 90 HA ASP 90 -12.299 -1.876 2.719 671 1HB ASP 90 HB2 ASP 90 -12.039 -1.722 -0.149 672 2HB ASP 90 HB1 ASP 90 -11.342 -2.885 0.963 673 H THR 91 HN THR 91 -14.756 0.046 1.519 674 HA THR 91 HA THR 91 -13.493 2.140 0.232 675 HB THR 91 HB THR 91 -15.858 2.171 2.101 676 HG1 THR 91 HG1 THR 91 -16.027 0.798 0.257 677 1HG2 THR 91 HG21 THR 91 -14.585 4.360 0.802 678 2HG2 THR 91 HG22 THR 91 -16.048 4.350 1.787 679 3HG2 THR 91 HG23 THR 91 -16.154 4.076 0.048 680 H ALA 92 HN ALA 92 -11.699 3.133 0.955 681 HA ALA 92 HA ALA 92 -11.798 4.765 3.279 682 1HB ALA 92 HB1 ALA 92 -10.556 2.094 3.525 683 2HB ALA 92 HB2 ALA 92 -11.324 3.109 4.746 684 3HB ALA 92 HB3 ALA 92 -9.673 3.449 4.228 685 H VAL 93 HN VAL 93 -9.571 5.750 3.754 686 HA VAL 93 HA VAL 93 -8.427 6.546 1.232 687 HB VAL 93 HB VAL 93 -8.939 8.082 3.193 688 1HG1 VAL 93 HG11 VAL 93 -7.627 8.186 5.057 689 2HG1 VAL 93 HG12 VAL 93 -6.237 7.453 4.258 690 3HG1 VAL 93 HG13 VAL 93 -7.599 6.449 4.754 691 1HG2 VAL 93 HG21 VAL 93 -6.512 9.194 2.810 692 2HG2 VAL 93 HG22 VAL 93 -7.825 9.269 1.635 693 3HG2 VAL 93 HG23 VAL 93 -6.557 8.055 1.463 694 H TYR 94 HN TYR 94 -7.003 5.181 0.315 695 HA TYR 94 HA TYR 94 -5.261 3.561 1.946 696 1HB TYR 94 HB2 TYR 94 -6.118 3.649 -0.889 697 2HB TYR 94 HB1 TYR 94 -4.533 2.977 -0.561 698 HD1 TYR 94 HD1 TYR 94 -4.303 0.917 0.762 699 HD2 TYR 94 HD2 TYR 94 -8.125 2.519 -0.201 700 HE1 TYR 94 HE1 TYR 94 -5.350 -1.220 1.386 701 HE2 TYR 94 HE2 TYR 94 -9.182 0.388 0.420 702 HH TYR 94 HH TYR 94 -8.451 -2.059 0.557 703 H THR 95 HN THR 95 -3.582 4.654 2.787 704 HA THR 95 HA THR 95 -2.079 6.457 1.026 705 HB THR 95 HB THR 95 -2.984 7.278 3.248 706 HG1 THR 95 HG1 THR 95 -1.006 8.057 2.007 707 1HG2 THR 95 HG21 THR 95 -2.054 6.697 5.265 708 2HG2 THR 95 HG22 THR 95 -0.622 5.984 4.521 709 3HG2 THR 95 HG23 THR 95 -2.167 5.136 4.452 710 H CYS 96 HN CYS 96 -0.091 5.989 0.369 711 HA CYS 96 HA CYS 96 1.059 3.435 1.113 712 1HB CYS 96 HB2 CYS 96 1.080 4.034 -1.234 713 2HB CYS 96 HB1 CYS 96 1.914 5.543 -0.882 714 H GLY 97 HN GLY 97 2.999 3.133 2.186 715 1HA GLY 97 HA2 GLY 97 4.508 5.476 3.039 716 2HA GLY 97 HA1 GLY 97 3.743 4.536 4.310 717 H ALA 98 HN ALA 98 6.479 4.934 4.208 718 HA ALA 98 HA ALA 98 7.452 2.227 3.559 719 1HB ALA 98 HB1 ALA 98 8.961 4.831 3.372 720 2HB ALA 98 HB2 ALA 98 8.455 3.802 2.032 721 3HB ALA 98 HB3 ALA 98 9.677 3.233 3.169 722 H GLY 99 HN GLY 99 9.381 1.590 4.877 723 1HA GLY 99 HA2 GLY 99 8.856 2.313 7.666 724 2HA GLY 99 HA1 GLY 99 9.720 0.887 7.117 725 H GLU 100 HN GLU 100 10.963 1.999 9.070 726 HA GLU 100 HA GLU 100 13.466 2.741 8.125 727 1HB GLU 100 HB2 GLU 100 11.570 4.906 8.315 728 2HB GLU 100 HB1 GLU 100 12.938 5.183 9.383 729 1HG GLU 100 HG2 GLU 100 13.395 4.371 6.549 730 2HG GLU 100 HG1 GLU 100 13.003 6.046 6.939 731 H GLY 101 HN GLY 101 14.717 1.938 9.677 732 1HA GLY 101 HA2 GLY 101 15.554 1.418 11.732 733 2HA GLY 101 HA1 GLY 101 14.692 2.821 12.341 734 H GLY 102 HN GLY 102 12.694 0.532 10.788 735 1HA GLY 102 HA2 GLY 102 11.679 -1.419 11.764 736 2HA GLY 102 HA1 GLY 102 12.054 -0.765 13.351 737 H THR 103 HN THR 103 11.081 1.912 11.969 738 HA THR 103 HA THR 103 8.273 1.488 12.706 739 HB THR 103 HB THR 103 9.718 4.107 12.431 740 HG1 THR 103 HG1 THR 103 10.126 3.960 14.663 741 1HG2 THR 103 HG21 THR 103 7.609 4.807 12.793 742 2HG2 THR 103 HG22 THR 103 8.022 4.459 14.472 743 3HG2 THR 103 HG23 THR 103 7.114 3.281 13.525 744 H TRP 104 HN TRP 104 6.905 3.368 11.529 745 HA TRP 104 HA TRP 104 7.618 3.458 8.689 746 1HB TRP 104 HB2 TRP 104 5.012 2.454 9.837 747 2HB TRP 104 HB1 TRP 104 5.185 2.962 8.161 748 HD1 TRP 104 HD1 TRP 104 6.668 0.324 10.581 749 HE1 TRP 104 HE1 TRP 104 7.317 -1.746 9.197 750 HE3 TRP 104 HE3 TRP 104 5.614 2.107 5.903 751 HZ2 TRP 104 HZ2 TRP 104 7.374 -2.523 6.485 752 HZ3 TRP 104 HZ3 TRP 104 5.995 0.633 3.967 753 HH2 TRP 104 HH2 TRP 104 6.857 -1.632 4.256 754 H ASP 105 HN ASP 105 8.097 5.667 9.003 755 HA ASP 105 HA ASP 105 5.745 7.363 9.500 756 1HB ASP 105 HB2 ASP 105 7.461 7.582 11.234 757 2HB ASP 105 HB1 ASP 105 8.627 8.032 10.002 758 H SER 106 HN SER 106 7.298 6.187 6.997 759 HA SER 106 HA SER 106 7.688 8.706 5.564 760 1HB SER 106 HB2 SER 106 8.803 6.035 5.393 761 2HB SER 106 HB1 SER 106 8.250 6.610 3.826 762 HG SER 106 HG SER 106 9.669 8.242 3.897 763 H TRP 107 HN TRP 107 5.210 8.726 5.949 764 HA TRP 107 HA TRP 107 3.558 7.138 4.268 765 1HB TRP 107 HB2 TRP 107 2.867 9.851 5.397 766 2HB TRP 107 HB1 TRP 107 1.759 8.558 4.948 767 HD1 TRP 107 HD1 TRP 107 3.403 10.000 7.894 768 HE1 TRP 107 HE1 TRP 107 3.217 8.419 9.917 769 HE3 TRP 107 HE3 TRP 107 1.900 5.758 5.471 770 HZ2 TRP 107 HZ2 TRP 107 2.526 5.727 10.418 771 HZ3 TRP 107 HZ3 TRP 107 1.499 3.723 6.794 772 HH2 TRP 107 HH2 TRP 107 1.805 3.709 9.216 773 H GLY 108 HN GLY 108 2.125 8.098 2.575 774 1HA GLY 108 HA2 GLY 108 3.737 9.852 0.829 775 2HA GLY 108 HA1 GLY 108 2.618 8.627 0.251 776 H GLN 109 HN GLN 109 1.280 9.899 -0.948 777 HA GLN 109 HA GLN 109 0.152 12.312 0.216 778 1HB GLN 109 HB2 GLN 109 0.863 12.346 -2.129 779 2HB GLN 109 HB1 GLN 109 -0.267 11.051 -2.495 780 1HG GLN 109 HG2 GLN 109 -1.267 13.058 -3.225 781 2HG GLN 109 HG1 GLN 109 -2.111 12.577 -1.754 782 1HE2 GLN 109 HE21 GLN 109 -1.423 15.203 -3.223 783 2HE2 GLN 109 HE22 GLN 109 -0.902 16.240 -1.943 784 H GLY 110 HN GLY 110 -1.005 9.204 -1.071 785 1HA GLY 110 HA2 GLY 110 -2.699 8.000 0.195 786 2HA GLY 110 HA1 GLY 110 -3.419 9.550 0.592 787 H THR 111 HN THR 111 -4.657 7.213 -0.611 788 HA THR 111 HA THR 111 -5.951 8.563 -2.813 789 HB THR 111 HB THR 111 -4.011 7.349 -3.856 790 HG1 THR 111 HG1 THR 111 -5.221 6.977 -5.542 791 1HG2 THR 111 HG21 THR 111 -5.347 4.759 -3.738 792 2HG2 THR 111 HG22 THR 111 -4.618 5.265 -2.215 793 3HG2 THR 111 HG23 THR 111 -3.632 5.163 -3.673 794 H GLN 112 HN GLN 112 -8.026 8.388 -2.246 795 HA GLN 112 HA GLN 112 -8.949 6.322 -0.525 796 1HB GLN 112 HB2 GLN 112 -9.760 8.873 -1.210 797 2HB GLN 112 HB1 GLN 112 -10.997 7.853 -1.909 798 1HG GLN 112 HG2 GLN 112 -10.292 7.108 0.818 799 2HG GLN 112 HG1 GLN 112 -10.910 8.752 0.678 800 1HE2 GLN 112 HE21 GLN 112 -11.806 6.019 -1.328 801 2HE2 GLN 112 HE22 GLN 112 -13.440 5.928 -0.809 802 H VAL 113 HN VAL 113 -10.252 4.602 -0.946 803 HA VAL 113 HA VAL 113 -10.620 3.900 -3.781 804 HB VAL 113 HB VAL 113 -10.127 2.165 -1.364 805 1HG1 VAL 113 HG11 VAL 113 -10.207 0.268 -3.072 806 2HG1 VAL 113 HG12 VAL 113 -11.062 1.401 -4.119 807 3HG1 VAL 113 HG13 VAL 113 -11.751 0.949 -2.559 808 1HG2 VAL 113 HG21 VAL 113 -8.108 3.068 -2.275 809 2HG2 VAL 113 HG22 VAL 113 -8.591 2.630 -3.914 810 3HG2 VAL 113 HG23 VAL 113 -8.205 1.370 -2.741 811 H THR 114 HN THR 114 -12.686 3.998 -4.395 812 HA THR 114 HA THR 114 -14.790 3.818 -2.378 813 HB THR 114 HB THR 114 -14.921 4.672 -5.276 814 HG1 THR 114 HG1 THR 114 -13.782 6.051 -3.712 815 1HG2 THR 114 HG21 THR 114 -17.041 5.745 -3.757 816 2HG2 THR 114 HG22 THR 114 -17.025 4.002 -3.491 817 3HG2 THR 114 HG23 THR 114 -17.122 4.642 -5.131 818 H VAL 115 HN VAL 115 -15.817 1.964 -2.067 819 HA VAL 115 HA VAL 115 -15.893 0.009 -4.263 820 HB VAL 115 HB VAL 115 -16.540 -0.898 -1.518 821 1HG1 VAL 115 HG11 VAL 115 -16.356 -2.803 -2.653 822 2HG1 VAL 115 HG12 VAL 115 -14.614 -2.532 -2.693 823 3HG1 VAL 115 HG13 VAL 115 -15.623 -1.985 -4.032 824 1HG2 VAL 115 HG21 VAL 115 -14.626 0.630 -1.135 825 2HG2 VAL 115 HG22 VAL 115 -13.683 -0.309 -2.292 826 3HG2 VAL 115 HG23 VAL 115 -14.242 -1.058 -0.797 827 H SER 116 HN SER 116 -17.873 -1.653 -3.318 828 HA SER 116 HA SER 116 -20.226 -0.388 -2.466 829 1HB SER 116 HB2 SER 116 -21.471 -0.101 -4.484 830 2HB SER 116 HB1 SER 116 -19.923 0.705 -4.739 831 HG SER 116 HG SER 116 -21.003 -1.181 -6.213 832 H SER 117 HN SER 117 -22.175 -1.832 -3.769 833 HA SER 117 HA SER 117 -21.456 -4.601 -3.973 834 1HB SER 117 HB2 SER 117 -21.854 -3.720 -1.395 835 2HB SER 117 HB1 SER 117 -23.448 -4.334 -1.834 836 HG SER 117 HG SER 117 -20.981 -5.731 -1.945 Start of MODEL 18 1 1H GLN 1 HT1 GLN 1 14.525 13.518 3.244 2 2H GLN 1 HT2 GLN 1 16.066 14.172 2.867 3 3H GLN 1 HT3 GLN 1 15.761 12.499 2.637 4 HA GLN 1 HA GLN 1 14.257 14.598 1.248 5 1HB GLN 1 HB2 GLN 1 17.001 13.621 0.855 6 2HB GLN 1 HB1 GLN 1 16.005 13.541 -0.591 7 1HG GLN 1 HG2 GLN 1 16.246 16.033 1.061 8 2HG GLN 1 HG1 GLN 1 17.359 15.646 -0.250 9 1HE2 GLN 1 HE21 GLN 1 16.184 15.006 -2.334 10 2HE2 GLN 1 HE22 GLN 1 14.869 16.026 -2.797 11 H VAL 2 HN VAL 2 12.991 12.460 2.316 12 HA VAL 2 HA VAL 2 12.741 10.550 0.090 13 HB VAL 2 HB VAL 2 11.329 9.452 2.203 14 1HG1 VAL 2 HG11 VAL 2 12.510 7.943 0.975 15 2HG1 VAL 2 HG12 VAL 2 13.577 8.062 2.375 16 3HG1 VAL 2 HG13 VAL 2 13.950 8.960 0.903 17 1HG2 VAL 2 HG21 VAL 2 13.928 10.528 3.289 18 2HG2 VAL 2 HG22 VAL 2 12.796 9.465 4.125 19 3HG2 VAL 2 HG23 VAL 2 12.325 11.117 3.729 20 H GLN 3 HN GLN 3 10.609 9.841 -0.485 21 HA GLN 3 HA GLN 3 8.314 11.261 0.524 22 1HB GLN 3 HB2 GLN 3 9.477 11.874 -2.177 23 2HB GLN 3 HB1 GLN 3 7.752 12.037 -1.885 24 1HG GLN 3 HG2 GLN 3 9.981 13.510 -0.508 25 2HG GLN 3 HG1 GLN 3 8.778 14.172 -1.613 26 1HE2 GLN 3 HE21 GLN 3 9.366 15.034 1.061 27 2HE2 GLN 3 HE22 GLN 3 7.918 14.839 1.984 28 H LEU 4 HN LEU 4 6.326 10.675 -0.879 29 HA LEU 4 HA LEU 4 6.539 8.160 -2.292 30 1HB LEU 4 HB2 LEU 4 5.129 8.393 0.360 31 2HB LEU 4 HB1 LEU 4 4.779 7.117 -0.790 32 HG LEU 4 HG LEU 4 7.458 6.838 -0.598 33 1HD1 LEU 4 HD11 LEU 4 8.192 8.166 1.057 34 2HD1 LEU 4 HD12 LEU 4 7.542 6.909 2.109 35 3HD1 LEU 4 HD13 LEU 4 6.587 8.351 1.763 36 1HD2 LEU 4 HD21 LEU 4 5.309 5.324 -0.058 37 2HD2 LEU 4 HD22 LEU 4 5.938 5.539 1.575 38 3HD2 LEU 4 HD23 LEU 4 6.960 4.835 0.322 39 H GLN 5 HN GLN 5 4.698 7.661 -3.520 40 HA GLN 5 HA GLN 5 2.383 9.403 -3.370 41 1HB GLN 5 HB2 GLN 5 2.596 9.883 -5.874 42 2HB GLN 5 HB1 GLN 5 3.639 10.791 -4.789 43 1HG GLN 5 HG2 GLN 5 5.064 8.479 -5.482 44 2HG GLN 5 HG1 GLN 5 4.336 9.076 -6.972 45 1HE2 GLN 5 HE21 GLN 5 4.590 11.476 -7.309 46 2HE2 GLN 5 HE22 GLN 5 6.132 12.156 -6.929 47 H GLU 6 HN GLU 6 0.716 8.758 -5.029 48 HA GLU 6 HA GLU 6 0.920 5.884 -5.649 49 1HB GLU 6 HB2 GLU 6 -1.822 6.682 -5.258 50 2HB GLU 6 HB1 GLU 6 -0.911 5.418 -4.448 51 1HG GLU 6 HG2 GLU 6 -0.723 8.303 -3.642 52 2HG GLU 6 HG1 GLU 6 -1.943 7.209 -2.991 53 H SER 7 HN SER 7 -0.599 5.173 -7.369 54 HA SER 7 HA SER 7 -1.828 7.055 -9.096 55 1HB SER 7 HB2 SER 7 -0.318 6.863 -11.025 56 2HB SER 7 HB1 SER 7 0.504 7.599 -9.650 57 HG SER 7 HG SER 7 1.010 5.235 -10.937 58 H GLY 8 HN GLY 8 -3.490 5.944 -9.868 59 1HA GLY 8 HA2 GLY 8 -3.965 4.108 -11.539 60 2HA GLY 8 HA1 GLY 8 -3.111 3.065 -10.412 61 H GLY 9 HN GLY 9 -4.310 4.509 -8.091 62 1HA GLY 9 HA2 GLY 9 -6.407 2.818 -7.531 63 2HA GLY 9 HA1 GLY 9 -6.135 4.355 -6.731 64 H GLY 10 HN GLY 10 -8.627 3.826 -6.797 65 1HA GLY 10 HA2 GLY 10 -10.039 5.798 -7.869 66 2HA GLY 10 HA1 GLY 10 -9.877 4.738 -9.260 67 H LEU 11 HN LEU 11 -12.332 5.166 -8.661 68 HA LEU 11 HA LEU 11 -13.474 3.591 -6.643 69 1HB LEU 11 HB2 LEU 11 -14.758 4.619 -9.162 70 2HB LEU 11 HB1 LEU 11 -15.595 4.076 -7.716 71 HG LEU 11 HG LEU 11 -13.778 6.029 -6.868 72 1HD1 LEU 11 HD11 LEU 11 -13.485 6.913 -9.044 73 2HD1 LEU 11 HD12 LEU 11 -14.618 7.986 -8.222 74 3HD1 LEU 11 HD13 LEU 11 -15.210 6.810 -9.396 75 1HD2 LEU 11 HD21 LEU 11 -16.572 6.858 -7.266 76 2HD2 LEU 11 HD22 LEU 11 -15.595 6.823 -5.798 77 3HD2 LEU 11 HD23 LEU 11 -16.354 5.344 -6.389 78 H VAL 12 HN VAL 12 -13.871 1.487 -6.573 79 HA VAL 12 HA VAL 12 -13.936 -0.030 -9.093 80 HB VAL 12 HB VAL 12 -12.872 -1.895 -7.907 81 1HG1 VAL 12 HG11 VAL 12 -11.653 0.546 -8.759 82 2HG1 VAL 12 HG12 VAL 12 -11.055 -1.106 -8.908 83 3HG1 VAL 12 HG13 VAL 12 -10.701 -0.168 -7.457 84 1HG2 VAL 12 HG21 VAL 12 -11.750 -0.290 -5.758 85 2HG2 VAL 12 HG22 VAL 12 -12.443 -1.911 -5.714 86 3HG2 VAL 12 HG23 VAL 12 -13.495 -0.500 -5.618 87 H GLN 13 HN GLN 13 -15.459 -1.604 -9.289 88 HA GLN 13 HA GLN 13 -17.726 -1.496 -7.589 89 1HB GLN 13 HB2 GLN 13 -16.947 -2.917 -10.040 90 2HB GLN 13 HB1 GLN 13 -18.172 -3.696 -9.058 91 1HG GLN 13 HG2 GLN 13 -18.479 -0.815 -9.715 92 2HG GLN 13 HG1 GLN 13 -18.824 -2.019 -10.956 93 1HE2 GLN 13 HE21 GLN 13 -20.275 -3.830 -10.200 94 2HE2 GLN 13 HE22 GLN 13 -21.632 -3.381 -9.229 95 H ALA 14 HN ALA 14 -18.419 -2.870 -6.013 96 HA ALA 14 HA ALA 14 -16.621 -4.276 -4.476 97 1HB ALA 14 HB1 ALA 14 -18.743 -5.442 -3.580 98 2HB ALA 14 HB2 ALA 14 -19.603 -4.366 -4.681 99 3HB ALA 14 HB3 ALA 14 -18.593 -3.694 -3.401 100 H GLY 15 HN GLY 15 -15.645 -6.188 -4.648 101 1HA GLY 15 HA2 GLY 15 -15.537 -8.503 -5.071 102 2HA GLY 15 HA1 GLY 15 -16.945 -8.357 -6.111 103 H GLY 16 HN GLY 16 -14.437 -6.046 -6.575 104 1HA GLY 16 HA2 GLY 16 -13.631 -7.491 -9.024 105 2HA GLY 16 HA1 GLY 16 -13.702 -5.740 -8.888 106 H SER 17 HN SER 17 -11.514 -5.675 -9.630 107 HA SER 17 HA SER 17 -9.613 -6.092 -7.453 108 1HB SER 17 HB2 SER 17 -9.527 -7.986 -9.164 109 2HB SER 17 HB1 SER 17 -8.881 -6.782 -10.273 110 HG SER 17 HG SER 17 -7.747 -7.808 -7.918 111 H LEU 18 HN LEU 18 -8.112 -4.522 -7.225 112 HA LEU 18 HA LEU 18 -7.868 -2.517 -9.348 113 1HB LEU 18 HB2 LEU 18 -9.484 -1.722 -7.662 114 2HB LEU 18 HB1 LEU 18 -8.258 -1.901 -6.423 115 HG LEU 18 HG LEU 18 -6.879 -0.288 -7.920 116 1HD1 LEU 18 HD11 LEU 18 -7.892 0.838 -9.568 117 2HD1 LEU 18 HD12 LEU 18 -9.396 1.003 -8.663 118 3HD1 LEU 18 HD13 LEU 18 -9.056 -0.486 -9.545 119 1HD2 LEU 18 HD21 LEU 18 -7.481 1.445 -6.523 120 2HD2 LEU 18 HD22 LEU 18 -8.062 0.047 -5.619 121 3HD2 LEU 18 HD23 LEU 18 -9.192 1.020 -6.561 122 H ARG 19 HN ARG 19 -5.828 -1.864 -9.718 123 HA ARG 19 HA ARG 19 -3.753 -2.833 -7.870 124 1HB ARG 19 HB2 ARG 19 -3.751 -3.784 -10.181 125 2HB ARG 19 HB1 ARG 19 -3.449 -2.167 -10.797 126 1HG ARG 19 HG2 ARG 19 -1.339 -2.081 -9.586 127 2HG ARG 19 HG1 ARG 19 -1.643 -3.690 -8.930 128 1HD ARG 19 HD2 ARG 19 -0.938 -4.692 -10.798 129 2HD ARG 19 HD1 ARG 19 -1.878 -3.611 -11.825 130 HE ARG 19 HE ARG 19 0.907 -3.376 -11.145 131 1HH1 ARG 19 HH11 ARG 19 -1.939 -1.661 -12.210 132 2HH1 ARG 19 HH12 ARG 19 -1.043 -0.386 -12.963 133 1HH2 ARG 19 HH21 ARG 19 2.090 -1.698 -12.138 134 2HH2 ARG 19 HH22 ARG 19 1.244 -0.408 -12.925 135 H LEU 20 HN LEU 20 -2.540 -1.404 -6.834 136 HA LEU 20 HA LEU 20 -2.541 1.381 -7.786 137 1HB LEU 20 HB2 LEU 20 -1.872 0.648 -4.967 138 2HB LEU 20 HB1 LEU 20 -2.509 2.153 -5.600 139 HG LEU 20 HG LEU 20 -4.057 -0.418 -5.285 140 1HD1 LEU 20 HD11 LEU 20 -3.405 1.590 -3.414 141 2HD1 LEU 20 HD12 LEU 20 -4.529 0.244 -3.225 142 3HD1 LEU 20 HD13 LEU 20 -5.107 1.798 -3.827 143 1HD2 LEU 20 HD21 LEU 20 -5.708 0.451 -6.501 144 2HD2 LEU 20 HD22 LEU 20 -4.512 1.599 -7.101 145 3HD2 LEU 20 HD23 LEU 20 -5.549 2.036 -5.743 146 H SER 21 HN SER 21 -0.629 2.427 -8.019 147 HA SER 21 HA SER 21 1.803 0.831 -7.558 148 1HB SER 21 HB2 SER 21 2.801 1.929 -9.482 149 2HB SER 21 HB1 SER 21 1.262 1.210 -9.956 150 HG SER 21 HG SER 21 2.015 3.862 -9.822 151 H CYS 22 HN CYS 22 2.962 1.577 -5.928 152 HA CYS 22 HA CYS 22 2.913 4.458 -5.349 153 1HB CYS 22 HB2 CYS 22 2.176 3.169 -3.465 154 2HB CYS 22 HB1 CYS 22 3.550 2.080 -3.600 155 H ALA 23 HN ALA 23 4.727 5.644 -5.432 156 HA ALA 23 HA ALA 23 7.259 4.231 -5.971 157 1HB ALA 23 HB1 ALA 23 6.688 5.174 -8.035 158 2HB ALA 23 HB2 ALA 23 7.841 6.312 -7.336 159 3HB ALA 23 HB3 ALA 23 6.114 6.668 -7.295 160 H ALA 24 HN ALA 24 9.096 4.985 -4.989 161 HA ALA 24 HA ALA 24 8.713 7.149 -3.022 162 1HB ALA 24 HB1 ALA 24 8.991 4.959 -1.971 163 2HB ALA 24 HB2 ALA 24 10.346 6.027 -1.603 164 3HB ALA 24 HB3 ALA 24 10.530 4.751 -2.807 165 H SER 25 HN SER 25 11.109 7.830 -2.252 166 HA SER 25 HA SER 25 12.982 8.037 -4.437 167 1HB SER 25 HB2 SER 25 11.048 9.932 -4.471 168 2HB SER 25 HB1 SER 25 12.224 10.709 -3.411 169 HG SER 25 HG SER 25 12.578 11.188 -5.631 170 H GLY 26 HN GLY 26 15.002 9.027 -3.804 171 1HA GLY 26 HA2 GLY 26 16.538 9.856 -2.226 172 2HA GLY 26 HA1 GLY 26 15.346 9.598 -0.962 173 H ARG 27 HN ARG 27 18.180 8.471 -2.325 174 HA ARG 27 HA ARG 27 17.920 5.687 -1.809 175 1HB ARG 27 HB2 ARG 27 20.570 7.080 -1.801 176 2HB ARG 27 HB1 ARG 27 20.141 5.508 -2.451 177 1HG ARG 27 HG2 ARG 27 18.694 6.937 -4.108 178 2HG ARG 27 HG1 ARG 27 19.838 8.204 -3.660 179 1HD ARG 27 HD2 ARG 27 21.679 6.956 -4.457 180 2HD ARG 27 HD1 ARG 27 20.721 5.480 -4.577 181 HE ARG 27 HE ARG 27 19.463 7.131 -6.288 182 1HH1 ARG 27 HH11 ARG 27 22.821 6.255 -5.914 183 2HH1 ARG 27 HH12 ARG 27 23.193 6.469 -7.591 184 1HH2 ARG 27 HH21 ARG 27 19.950 7.413 -8.494 185 2HH2 ARG 27 HH22 ARG 27 21.563 7.126 -9.057 186 H THR 28 HN THR 28 17.667 4.854 0.155 187 HA THR 28 HA THR 28 18.839 6.234 2.456 188 HB THR 28 HB THR 28 17.221 3.935 3.140 189 HG1 THR 28 HG1 THR 28 15.906 5.925 1.613 190 1HG2 THR 28 HG21 THR 28 16.841 6.883 3.594 191 2HG2 THR 28 HG22 THR 28 17.582 5.726 4.700 192 3HG2 THR 28 HG23 THR 28 15.863 5.609 4.322 193 H GLY 29 HN GLY 29 19.531 4.664 4.266 194 1HA GLY 29 HA2 GLY 29 21.251 2.601 3.054 195 2HA GLY 29 HA1 GLY 29 21.725 3.579 4.432 196 H SER 30 HN SER 30 19.064 3.360 5.657 197 HA SER 30 HA SER 30 19.537 1.022 7.199 198 1HB SER 30 HB2 SER 30 18.331 3.275 7.819 199 2HB SER 30 HB1 SER 30 16.895 2.430 7.241 200 HG SER 30 HG SER 30 17.115 0.945 8.829 201 H THR 31 HN THR 31 18.062 1.419 4.202 202 HA THR 31 HA THR 31 16.989 -0.047 2.832 203 HB THR 31 HB THR 31 17.038 -2.076 5.062 204 HG1 THR 31 HG1 THR 31 19.092 -1.589 3.171 205 1HG2 THR 31 HG21 THR 31 16.160 -3.398 3.525 206 2HG2 THR 31 HG22 THR 31 17.674 -3.258 2.631 207 3HG2 THR 31 HG23 THR 31 16.336 -2.165 2.276 208 H TYR 32 HN TYR 32 15.362 1.729 3.691 209 HA TYR 32 HA TYR 32 13.274 0.941 5.368 210 1HB TYR 32 HB2 TYR 32 12.497 3.048 4.915 211 2HB TYR 32 HB1 TYR 32 14.183 3.248 4.570 212 HD1 TYR 32 HD1 TYR 32 11.163 4.298 3.490 213 HD2 TYR 32 HD2 TYR 32 14.626 2.375 1.941 214 HE1 TYR 32 HE1 TYR 32 10.620 5.143 1.245 215 HE2 TYR 32 HE2 TYR 32 14.094 3.213 -0.308 216 HH TYR 32 HH TYR 32 12.677 5.356 -1.185 217 H ASP 33 HN ASP 33 11.428 -0.124 4.962 218 HA ASP 33 HA ASP 33 11.059 -1.348 2.367 219 1HB ASP 33 HB2 ASP 33 9.285 -1.593 4.800 220 2HB ASP 33 HB1 ASP 33 9.377 -2.693 3.430 221 H MET 34 HN MET 34 8.476 -1.577 1.889 222 HA MET 34 HA MET 34 7.225 1.056 2.045 223 1HB MET 34 HB2 MET 34 8.384 -0.118 -0.375 224 2HB MET 34 HB1 MET 34 6.706 0.370 -0.572 225 1HG MET 34 HG2 MET 34 7.210 2.617 0.034 226 2HG MET 34 HG1 MET 34 8.849 2.177 0.513 227 1HE MET 34 HE1 MET 34 6.260 2.175 -2.086 228 2HE MET 34 HE2 MET 34 7.082 1.946 -3.629 229 3HE MET 34 HE3 MET 34 6.925 3.564 -2.945 230 H GLY 35 HN GLY 35 5.122 0.876 2.503 231 1HA GLY 35 HA2 GLY 35 3.618 -1.420 1.500 232 2HA GLY 35 HA1 GLY 35 3.715 -1.234 3.244 233 H TRP 36 HN TRP 36 1.341 -1.204 1.618 234 HA TRP 36 HA TRP 36 0.470 1.545 1.512 235 1HB TRP 36 HB2 TRP 36 -0.938 -1.037 0.921 236 2HB TRP 36 HB1 TRP 36 -1.651 0.546 0.703 237 HD1 TRP 36 HD1 TRP 36 1.187 -1.642 -0.709 238 HE1 TRP 36 HE1 TRP 36 1.682 -0.865 -3.112 239 HE3 TRP 36 HE3 TRP 36 -1.891 2.437 -0.891 240 HZ2 TRP 36 HZ2 TRP 36 0.875 1.201 -4.857 241 HZ3 TRP 36 HZ3 TRP 36 -1.971 3.760 -2.965 242 HH2 TRP 36 HH2 TRP 36 -0.617 3.155 -4.904 243 H PHE 37 HN PHE 37 -1.351 2.351 2.620 244 HA PHE 37 HA PHE 37 -2.115 0.894 5.040 245 1HB PHE 37 HB2 PHE 37 -0.803 3.551 4.783 246 2HB PHE 37 HB1 PHE 37 -2.066 3.394 5.990 247 HD1 PHE 37 HD1 PHE 37 -1.443 2.777 8.108 248 HD2 PHE 37 HD2 PHE 37 0.960 1.563 4.813 249 HE1 PHE 37 HE1 PHE 37 0.171 1.765 9.663 250 HE2 PHE 37 HE2 PHE 37 2.576 0.543 6.361 251 HZ PHE 37 HZ PHE 37 2.183 0.643 8.791 252 H ARG 38 HN ARG 38 -3.905 2.417 6.172 253 HA ARG 38 HA ARG 38 -5.662 3.630 4.211 254 1HB ARG 38 HB2 ARG 38 -7.091 1.768 5.950 255 2HB ARG 38 HB1 ARG 38 -7.344 2.143 4.261 256 1HG ARG 38 HG2 ARG 38 -5.325 0.734 3.759 257 2HG ARG 38 HG1 ARG 38 -5.381 0.206 5.442 258 1HD ARG 38 HD2 ARG 38 -7.444 -0.208 3.295 259 2HD ARG 38 HD1 ARG 38 -6.532 -1.431 4.172 260 HE ARG 38 HE ARG 38 -7.839 -0.903 6.130 261 1HH1 ARG 38 HH11 ARG 38 -9.048 0.410 3.120 262 2HH1 ARG 38 HH12 ARG 38 -10.662 0.594 3.714 263 1HH2 ARG 38 HH21 ARG 38 -9.961 -0.651 6.900 264 2HH2 ARG 38 HH22 ARG 38 -11.181 -0.004 5.854 265 H GLN 39 HN GLN 39 -7.383 4.886 5.146 266 HA GLN 39 HA GLN 39 -7.416 5.240 8.018 267 1HB GLN 39 HB2 GLN 39 -5.662 6.809 6.530 268 2HB GLN 39 HB1 GLN 39 -7.058 7.847 6.779 269 1HG GLN 39 HG2 GLN 39 -5.630 6.394 8.990 270 2HG GLN 39 HG1 GLN 39 -5.278 8.052 8.506 271 1HE2 GLN 39 HE21 GLN 39 -6.063 7.381 11.072 272 2HE2 GLN 39 HE22 GLN 39 -7.627 8.051 11.376 273 H ALA 40 HN ALA 40 -9.350 5.941 8.729 274 HA ALA 40 HA ALA 40 -11.253 6.987 6.736 275 1HB ALA 40 HB1 ALA 40 -12.923 5.772 8.445 276 2HB ALA 40 HB2 ALA 40 -11.520 4.716 8.609 277 3HB ALA 40 HB3 ALA 40 -12.249 4.973 7.024 278 HA PRO 41 HA PRO 41 -11.839 10.369 9.497 279 1HB PRO 41 HB2 PRO 41 -14.461 10.983 8.995 280 2HB PRO 41 HB1 PRO 41 -13.130 11.419 7.919 281 1HG PRO 41 HG2 PRO 41 -15.042 9.126 7.735 282 2HG PRO 41 HG1 PRO 41 -14.428 10.179 6.447 283 1HD PRO 41 HD2 PRO 41 -13.454 7.697 6.857 284 2HD PRO 41 HD1 PRO 41 -12.429 9.031 6.288 285 H GLY 42 HN GLY 42 -12.299 10.623 11.574 286 1HA GLY 42 HA2 GLY 42 -13.234 10.267 13.647 287 2HA GLY 42 HA1 GLY 42 -14.611 9.531 12.836 288 H LYS 43 HN LYS 43 -11.885 8.023 11.703 289 HA LYS 43 HA LYS 43 -12.183 5.846 13.659 290 1HB LYS 43 HB2 LYS 43 -12.719 5.750 11.038 291 2HB LYS 43 HB1 LYS 43 -11.006 5.379 10.980 292 1HG LYS 43 HG2 LYS 43 -11.672 3.259 11.262 293 2HG LYS 43 HG1 LYS 43 -11.851 3.711 12.958 294 1HD LYS 43 HD2 LYS 43 -13.922 2.815 12.553 295 2HD LYS 43 HD1 LYS 43 -14.227 4.507 12.152 296 1HE LYS 43 HE2 LYS 43 -15.162 3.338 10.365 297 2HE LYS 43 HE1 LYS 43 -13.587 3.845 9.756 298 1HZ LYS 43 HZ1 LYS 43 -14.485 1.357 9.582 299 2HZ LYS 43 HZ2 LYS 43 -13.679 1.251 11.064 300 3HZ LYS 43 HZ3 LYS 43 -12.839 1.737 9.679 301 H GLU 44 HN GLU 44 -9.961 4.351 12.825 302 HA GLU 44 HA GLU 44 -7.730 6.090 13.620 303 1HB GLU 44 HB2 GLU 44 -7.862 3.136 14.180 304 2HB GLU 44 HB1 GLU 44 -6.799 4.335 14.903 305 1HG GLU 44 HG2 GLU 44 -8.238 4.208 16.612 306 2HG GLU 44 HG1 GLU 44 -9.195 5.321 15.635 307 H ARG 45 HN ARG 45 -5.604 5.447 12.837 308 HA ARG 45 HA ARG 45 -5.699 4.728 10.062 309 1HB ARG 45 HB2 ARG 45 -4.079 6.352 11.414 310 2HB ARG 45 HB1 ARG 45 -3.110 4.890 11.518 311 1HG ARG 45 HG2 ARG 45 -3.817 4.984 8.860 312 2HG ARG 45 HG1 ARG 45 -3.551 6.678 9.275 313 1HD ARG 45 HD2 ARG 45 -1.562 4.660 10.183 314 2HD ARG 45 HD1 ARG 45 -1.572 5.124 8.483 315 HE ARG 45 HE ARG 45 -0.549 6.643 10.633 316 1HH1 ARG 45 HH11 ARG 45 -2.325 6.997 7.652 317 2HH1 ARG 45 HH12 ARG 45 -1.785 8.619 7.376 318 1HH2 ARG 45 HH21 ARG 45 0.165 8.776 10.273 319 2HH2 ARG 45 HH22 ARG 45 -0.372 9.629 8.865 320 H GLU 46 HN GLU 46 -4.691 2.973 9.058 321 HA GLU 46 HA GLU 46 -3.627 0.817 10.680 322 1HB GLU 46 HB2 GLU 46 -5.218 -0.821 10.100 323 2HB GLU 46 HB1 GLU 46 -6.157 0.580 10.594 324 1HG GLU 46 HG2 GLU 46 -6.545 1.160 8.262 325 2HG GLU 46 HG1 GLU 46 -5.584 -0.228 7.753 326 H SER 47 HN SER 47 -2.847 -1.008 9.281 327 HA SER 47 HA SER 47 -1.826 0.091 6.763 328 1HB SER 47 HB2 SER 47 -0.189 -0.585 8.561 329 2HB SER 47 HB1 SER 47 -0.698 -2.240 8.306 330 HG SER 47 HG SER 47 0.104 -0.731 6.094 331 H VAL 48 HN VAL 48 -1.254 -1.697 5.163 332 HA VAL 48 HA VAL 48 -3.414 -3.692 5.055 333 HB VAL 48 HB VAL 48 -2.418 -2.383 2.566 334 1HG1 VAL 48 HG11 VAL 48 -4.379 -3.216 1.579 335 2HG1 VAL 48 HG12 VAL 48 -5.135 -3.512 3.145 336 3HG1 VAL 48 HG13 VAL 48 -3.792 -4.522 2.609 337 1HG2 VAL 48 HG21 VAL 48 -4.212 -1.226 4.596 338 2HG2 VAL 48 HG22 VAL 48 -4.748 -1.105 2.920 339 3HG2 VAL 48 HG23 VAL 48 -3.190 -0.431 3.398 340 H ALA 49 HN ALA 49 -0.604 -2.854 3.026 341 HA ALA 49 HA ALA 49 0.584 -5.444 3.624 342 1HB ALA 49 HB1 ALA 49 0.922 -5.709 1.053 343 2HB ALA 49 HB2 ALA 49 -0.502 -4.673 0.954 344 3HB ALA 49 HB3 ALA 49 -0.592 -6.217 1.801 345 H ALA 50 HN ALA 50 2.741 -5.386 3.666 346 HA ALA 50 HA ALA 50 4.093 -3.114 2.380 347 1HB ALA 50 HB1 ALA 50 5.124 -2.428 4.264 348 2HB ALA 50 HB2 ALA 50 5.225 -4.055 4.934 349 3HB ALA 50 HB3 ALA 50 3.711 -3.155 5.030 350 H ILE 51 HN ILE 51 6.100 -3.508 1.538 351 HA ILE 51 HA ILE 51 7.053 -6.290 1.678 352 HB ILE 51 HB ILE 51 6.025 -5.868 -0.497 353 1HG1 ILE 51 HG12 ILE 51 8.071 -6.371 -1.924 354 2HG1 ILE 51 HG11 ILE 51 9.028 -6.158 -0.462 355 1HG2 ILE 51 HG21 ILE 51 6.139 -3.831 -1.371 356 2HG2 ILE 51 HG22 ILE 51 7.813 -4.176 -1.803 357 3HG2 ILE 51 HG23 ILE 51 7.444 -3.372 -0.278 358 1HD1 ILE 51 HD11 ILE 51 8.724 -8.440 -0.554 359 2HD1 ILE 51 HD12 ILE 51 7.066 -8.300 -1.139 360 3HD1 ILE 51 HD13 ILE 51 7.442 -7.931 0.544 361 H ASN 52 HN ASN 52 9.216 -6.622 1.859 362 HA ASN 52 HA ASN 52 10.790 -4.362 2.724 363 1HB ASN 52 HB2 ASN 52 10.744 -6.933 3.504 364 2HB ASN 52 HB1 ASN 52 12.098 -6.984 2.386 365 1HD2 ASN 52 HD21 ASN 52 10.901 -5.761 5.391 366 2HD2 ASN 52 HD22 ASN 52 12.405 -5.149 5.981 367 H TRP 53 HN TRP 53 13.348 -5.162 1.896 368 HA TRP 53 HA TRP 53 13.222 -4.428 -0.943 369 1HB TRP 53 HB2 TRP 53 14.633 -3.289 1.121 370 2HB TRP 53 HB1 TRP 53 15.841 -4.331 0.382 371 HD1 TRP 53 HD1 TRP 53 15.027 -0.924 0.263 372 HE1 TRP 53 HE1 TRP 53 15.468 0.163 -2.027 373 HE3 TRP 53 HE3 TRP 53 15.344 -5.150 -2.603 374 HZ2 TRP 53 HZ2 TRP 53 15.891 -0.659 -4.693 375 HZ3 TRP 53 HZ3 TRP 53 15.768 -4.910 -5.012 376 HH2 TRP 53 HH2 TRP 53 16.035 -2.710 -6.035 377 H ASP 54 HN ASP 54 12.632 -6.926 -0.888 378 HA ASP 54 HA ASP 54 13.201 -9.020 -1.577 379 1HB ASP 54 HB2 ASP 54 15.508 -7.378 -2.562 380 2HB ASP 54 HB1 ASP 54 15.571 -9.132 -2.704 381 H SER 55 HN SER 55 13.810 -8.129 1.140 382 HA SER 55 HA SER 55 16.262 -9.525 1.835 383 1HB SER 55 HB2 SER 55 15.906 -8.684 4.075 384 2HB SER 55 HB1 SER 55 15.638 -7.368 2.932 385 HG SER 55 HG SER 55 13.925 -8.474 4.711 386 H ALA 56 HN ALA 56 12.809 -9.742 2.719 387 HA ALA 56 HA ALA 56 13.211 -12.616 3.145 388 1HB ALA 56 HB1 ALA 56 13.060 -12.128 5.344 389 2HB ALA 56 HB2 ALA 56 11.332 -12.146 4.995 390 3HB ALA 56 HB3 ALA 56 12.202 -10.613 5.061 391 H ARG 57 HN ARG 57 10.406 -10.433 3.440 392 HA ARG 57 HA ARG 57 9.192 -11.333 1.027 393 1HB ARG 57 HB2 ARG 57 8.765 -12.877 3.462 394 2HB ARG 57 HB1 ARG 57 7.255 -12.304 2.773 395 1HG ARG 57 HG2 ARG 57 9.145 -13.487 0.856 396 2HG ARG 57 HG1 ARG 57 8.479 -14.594 2.058 397 1HD ARG 57 HD2 ARG 57 6.933 -14.741 0.348 398 2HD ARG 57 HD1 ARG 57 6.206 -13.532 1.405 399 HE ARG 57 HE ARG 57 6.364 -12.053 -0.313 400 1HH1 ARG 57 HH11 ARG 57 8.759 -14.541 -0.813 401 2HH1 ARG 57 HH12 ARG 57 9.293 -13.897 -2.329 402 1HH2 ARG 57 HH21 ARG 57 7.063 -11.206 -2.308 403 2HH2 ARG 57 HH22 ARG 57 8.331 -12.004 -3.178 404 H THR 58 HN THR 58 6.478 -11.030 1.794 405 HA THR 58 HA THR 58 6.428 -8.146 2.249 406 HB THR 58 HB THR 58 3.874 -9.410 1.626 407 HG1 THR 58 HG1 THR 58 4.595 -10.731 0.179 408 1HG2 THR 58 HG21 THR 58 3.617 -7.335 0.904 409 2HG2 THR 58 HG22 THR 58 4.602 -7.793 -0.486 410 3HG2 THR 58 HG23 THR 58 5.355 -7.036 0.918 411 H TYR 59 HN TYR 59 4.121 -7.539 3.272 412 HA TYR 59 HA TYR 59 3.637 -9.156 5.659 413 1HB TYR 59 HB2 TYR 59 5.212 -7.553 6.451 414 2HB TYR 59 HB1 TYR 59 4.416 -6.241 5.597 415 HD1 TYR 59 HD1 TYR 59 3.877 -4.749 7.320 416 HD2 TYR 59 HD2 TYR 59 2.844 -8.857 7.723 417 HE1 TYR 59 HE1 TYR 59 2.560 -4.214 9.325 418 HE2 TYR 59 HE2 TYR 59 1.524 -8.333 9.731 419 HH TYR 59 HH TYR 59 0.767 -5.110 10.644 420 H TYR 60 HN TYR 60 1.599 -9.724 4.896 421 HA TYR 60 HA TYR 60 -0.254 -7.763 3.935 422 1HB TYR 60 HB2 TYR 60 -0.498 -10.681 4.649 423 2HB TYR 60 HB1 TYR 60 -1.873 -9.721 4.126 424 HD1 TYR 60 HD1 TYR 60 0.439 -11.998 3.016 425 HD2 TYR 60 HD2 TYR 60 -1.232 -8.249 1.900 426 HE1 TYR 60 HE1 TYR 60 1.035 -12.438 0.672 427 HE2 TYR 60 HE2 TYR 60 -0.642 -8.678 -0.448 428 HH TYR 60 HH TYR 60 0.406 -11.751 -1.549 429 H ALA 61 HN ALA 61 -2.354 -7.359 4.940 430 HA ALA 61 HA ALA 61 -2.152 -7.325 7.881 431 1HB ALA 61 HB1 ALA 61 -2.064 -5.096 6.880 432 2HB ALA 61 HB2 ALA 61 -3.524 -5.310 7.847 433 3HB ALA 61 HB3 ALA 61 -3.612 -5.389 6.087 434 H SER 62 HN SER 62 -4.306 -7.255 9.002 435 HA SER 62 HA SER 62 -5.843 -9.496 8.199 436 1HB SER 62 HB2 SER 62 -7.389 -8.578 10.112 437 2HB SER 62 HB1 SER 62 -5.802 -9.237 10.511 438 HG SER 62 HG SER 62 -5.103 -7.291 11.014 439 H SER 63 HN SER 63 -8.027 -9.585 7.603 440 HA SER 63 HA SER 63 -10.029 -8.848 6.733 441 1HB SER 63 HB2 SER 63 -9.221 -6.515 7.866 442 2HB SER 63 HB1 SER 63 -9.175 -6.075 6.159 443 HG SER 63 HG SER 63 -11.263 -6.008 7.593 444 H VAL 64 HN VAL 64 -6.926 -8.584 5.436 445 HA VAL 64 HA VAL 64 -7.975 -9.025 2.764 446 HB VAL 64 HB VAL 64 -6.600 -7.365 1.686 447 1HG1 VAL 64 HG11 VAL 64 -8.203 -6.162 3.939 448 2HG1 VAL 64 HG12 VAL 64 -8.820 -6.660 2.364 449 3HG1 VAL 64 HG13 VAL 64 -7.689 -5.313 2.482 450 1HG2 VAL 64 HG21 VAL 64 -5.492 -7.007 4.423 451 2HG2 VAL 64 HG22 VAL 64 -5.570 -5.598 3.365 452 3HG2 VAL 64 HG23 VAL 64 -4.670 -7.029 2.862 453 H ARG 65 HN ARG 65 -6.191 -10.239 5.065 454 HA ARG 65 HA ARG 65 -3.740 -10.758 3.705 455 1HB ARG 65 HB2 ARG 65 -3.556 -10.604 6.043 456 2HB ARG 65 HB1 ARG 65 -4.951 -11.635 6.306 457 1HG ARG 65 HG2 ARG 65 -3.757 -13.516 6.172 458 2HG ARG 65 HG1 ARG 65 -2.733 -12.901 4.876 459 1HD ARG 65 HD2 ARG 65 -1.349 -11.730 6.404 460 2HD ARG 65 HD1 ARG 65 -2.485 -11.980 7.729 461 HE ARG 65 HE ARG 65 -0.433 -13.753 6.897 462 1HH1 ARG 65 HH11 ARG 65 -3.685 -13.702 8.161 463 2HH1 ARG 65 HH12 ARG 65 -3.547 -15.251 8.923 464 1HH2 ARG 65 HH21 ARG 65 -0.249 -15.790 7.898 465 2HH2 ARG 65 HH22 ARG 65 -1.597 -16.437 8.774 466 H GLY 66 HN GLY 66 -4.571 -11.656 1.830 467 1HA GLY 66 HA2 GLY 66 -4.281 -14.155 1.192 468 2HA GLY 66 HA1 GLY 66 -5.814 -14.295 2.036 469 H ARG 67 HN ARG 67 -6.048 -11.346 0.770 470 HA ARG 67 HA ARG 67 -7.128 -12.338 -1.781 471 1HB ARG 67 HB2 ARG 67 -8.712 -10.307 -1.522 472 2HB ARG 67 HB1 ARG 67 -9.035 -11.767 -0.605 473 1HG ARG 67 HG2 ARG 67 -7.640 -10.553 1.248 474 2HG ARG 67 HG1 ARG 67 -8.086 -9.110 0.338 475 1HD ARG 67 HD2 ARG 67 -10.138 -9.145 1.194 476 2HD ARG 67 HD1 ARG 67 -10.374 -10.811 0.671 477 HE ARG 67 HE ARG 67 -9.680 -9.899 3.310 478 1HH1 ARG 67 HH11 ARG 67 -9.604 -12.597 1.096 479 2HH1 ARG 67 HH12 ARG 67 -9.502 -13.785 2.351 480 1HH2 ARG 67 HH21 ARG 67 -9.539 -11.459 4.960 481 2HH2 ARG 67 HH22 ARG 67 -9.463 -13.139 4.546 482 H PHE 68 HN PHE 68 -5.775 -9.480 -0.146 483 HA PHE 68 HA PHE 68 -5.389 -8.009 -2.553 484 1HB PHE 68 HB2 PHE 68 -4.323 -7.728 0.251 485 2HB PHE 68 HB1 PHE 68 -3.785 -6.666 -1.044 486 HD1 PHE 68 HD1 PHE 68 -7.189 -7.730 -1.388 487 HD2 PHE 68 HD2 PHE 68 -4.669 -4.875 0.514 488 HE1 PHE 68 HE1 PHE 68 -9.134 -6.276 -1.003 489 HE2 PHE 68 HE2 PHE 68 -6.610 -3.417 0.903 490 HZ PHE 68 HZ PHE 68 -8.849 -4.115 0.145 491 H THR 69 HN THR 69 -3.610 -7.811 -3.864 492 HA THR 69 HA THR 69 -1.437 -9.743 -3.378 493 HB THR 69 HB THR 69 -2.196 -8.559 -6.047 494 HG1 THR 69 HG1 THR 69 -3.043 -11.031 -4.946 495 1HG2 THR 69 HG21 THR 69 -0.183 -9.527 -6.452 496 2HG2 THR 69 HG22 THR 69 -1.232 -10.928 -6.673 497 3HG2 THR 69 HG23 THR 69 -0.362 -10.708 -5.155 498 H ILE 70 HN ILE 70 0.700 -9.150 -3.938 499 HA ILE 70 HA ILE 70 1.217 -6.285 -4.288 500 HB ILE 70 HB ILE 70 1.320 -6.649 -1.898 501 1HG1 ILE 70 HG12 ILE 70 4.142 -6.504 -1.999 502 2HG1 ILE 70 HG11 ILE 70 3.554 -5.782 -3.493 503 1HG2 ILE 70 HG21 ILE 70 1.810 -9.128 -2.169 504 2HG2 ILE 70 HG22 ILE 70 2.615 -8.293 -0.839 505 3HG2 ILE 70 HG23 ILE 70 3.506 -8.663 -2.316 506 1HD1 ILE 70 HD11 ILE 70 2.232 -4.205 -2.282 507 2HD1 ILE 70 HD12 ILE 70 3.875 -4.173 -1.642 508 3HD1 ILE 70 HD13 ILE 70 2.598 -5.003 -0.752 509 H SER 71 HN SER 71 3.032 -5.822 -5.481 510 HA SER 71 HA SER 71 5.016 -7.855 -6.018 511 1HB SER 71 HB2 SER 71 3.537 -8.571 -7.708 512 2HB SER 71 HB1 SER 71 3.067 -6.921 -8.118 513 HG SER 71 HG SER 71 4.493 -7.289 -9.656 514 H ARG 72 HN ARG 72 6.927 -6.881 -6.066 515 HA ARG 72 HA ARG 72 7.136 -4.032 -6.132 516 1HB ARG 72 HB2 ARG 72 9.522 -4.385 -5.846 517 2HB ARG 72 HB1 ARG 72 8.628 -5.439 -4.760 518 1HG ARG 72 HG2 ARG 72 9.235 -6.671 -7.332 519 2HG ARG 72 HG1 ARG 72 10.667 -6.207 -6.410 520 1HD ARG 72 HD2 ARG 72 10.184 -7.642 -4.680 521 2HD ARG 72 HD1 ARG 72 8.454 -7.638 -5.019 522 HE ARG 72 HE ARG 72 8.764 -9.390 -6.460 523 1HH1 ARG 72 HH11 ARG 72 11.861 -7.950 -5.746 524 2HH1 ARG 72 HH12 ARG 72 12.765 -9.200 -6.533 525 1HH2 ARG 72 HH21 ARG 72 9.950 -11.035 -7.496 526 2HH2 ARG 72 HH22 ARG 72 11.680 -10.953 -7.525 527 H ASP 73 HN ASP 73 8.620 -2.869 -7.599 528 HA ASP 73 HA ASP 73 8.114 -3.683 -10.351 529 1HB ASP 73 HB2 ASP 73 7.638 -1.344 -9.495 530 2HB ASP 73 HB1 ASP 73 9.379 -1.112 -9.406 531 H ASN 74 HN ASN 74 10.804 -3.007 -8.180 532 HA ASN 74 HA ASN 74 13.030 -3.453 -8.310 533 1HB ASN 74 HB2 ASN 74 11.886 -5.736 -8.994 534 2HB ASN 74 HB1 ASN 74 12.596 -5.370 -10.563 535 1HD2 ASN 74 HD21 ASN 74 13.403 -5.605 -7.128 536 2HD2 ASN 74 HD22 ASN 74 15.007 -6.202 -7.366 537 H ALA 75 HN ALA 75 12.315 -1.210 -9.632 538 HA ALA 75 HA ALA 75 14.298 -1.117 -11.757 539 1HB ALA 75 HB1 ALA 75 11.393 -0.805 -12.186 540 2HB ALA 75 HB2 ALA 75 12.653 -1.355 -13.291 541 3HB ALA 75 HB3 ALA 75 12.437 0.369 -12.988 542 H LYS 76 HN LYS 76 11.729 0.911 -10.330 543 HA LYS 76 HA LYS 76 13.792 2.922 -9.720 544 1HB LYS 76 HB2 LYS 76 11.195 3.218 -11.134 545 2HB LYS 76 HB1 LYS 76 11.654 4.503 -10.026 546 1HG LYS 76 HG2 LYS 76 13.472 3.514 -12.201 547 2HG LYS 76 HG1 LYS 76 12.304 4.815 -12.443 548 1HD LYS 76 HD2 LYS 76 13.369 5.988 -10.487 549 2HD LYS 76 HD1 LYS 76 14.637 4.761 -10.536 550 1HE LYS 76 HE2 LYS 76 15.669 5.809 -12.204 551 2HE LYS 76 HE1 LYS 76 14.190 5.847 -13.162 552 1HZ LYS 76 HZ1 LYS 76 14.338 7.756 -10.978 553 2HZ LYS 76 HZ2 LYS 76 13.744 7.952 -12.549 554 3HZ LYS 76 HZ3 LYS 76 15.409 8.026 -12.260 555 H LYS 77 HN LYS 77 12.737 0.846 -8.008 556 HA LYS 77 HA LYS 77 12.010 0.565 -5.873 557 1HB LYS 77 HB2 LYS 77 13.159 3.180 -5.987 558 2HB LYS 77 HB1 LYS 77 11.759 3.240 -4.926 559 1HG LYS 77 HG2 LYS 77 13.530 0.943 -4.493 560 2HG LYS 77 HG1 LYS 77 14.251 2.518 -4.158 561 1HD LYS 77 HD2 LYS 77 12.958 2.861 -2.346 562 2HD LYS 77 HD1 LYS 77 11.530 2.159 -3.110 563 1HE LYS 77 HE2 LYS 77 12.925 -0.073 -2.807 564 2HE LYS 77 HE1 LYS 77 13.672 0.859 -1.510 565 1HZ LYS 77 HZ1 LYS 77 11.931 -0.098 -0.414 566 2HZ LYS 77 HZ2 LYS 77 10.909 -0.091 -1.762 567 3HZ LYS 77 HZ3 LYS 77 11.192 1.342 -0.909 568 H THR 78 HN THR 78 10.024 0.304 -7.560 569 HA THR 78 HA THR 78 7.800 1.862 -6.412 570 HB THR 78 HB THR 78 8.059 0.683 -9.183 571 HG1 THR 78 HG1 THR 78 9.119 2.740 -8.652 572 1HG2 THR 78 HG21 THR 78 5.927 2.024 -9.578 573 2HG2 THR 78 HG22 THR 78 5.722 1.969 -7.827 574 3HG2 THR 78 HG23 THR 78 5.780 0.470 -8.755 575 H VAL 79 HN VAL 79 5.878 0.780 -5.942 576 HA VAL 79 HA VAL 79 6.029 -2.160 -5.947 577 HB VAL 79 HB VAL 79 4.869 -2.206 -3.798 578 1HG1 VAL 79 HG11 VAL 79 6.846 -0.912 -2.524 579 2HG1 VAL 79 HG12 VAL 79 7.544 -1.017 -4.141 580 3HG1 VAL 79 HG13 VAL 79 7.052 -2.485 -3.296 581 1HG2 VAL 79 HG21 VAL 79 3.638 -0.286 -3.542 582 2HG2 VAL 79 HG22 VAL 79 4.932 0.752 -4.141 583 3HG2 VAL 79 HG23 VAL 79 5.023 0.080 -2.513 584 H TYR 80 HN TYR 80 4.126 -3.260 -6.353 585 HA TYR 80 HA TYR 80 1.790 -1.608 -7.032 586 1HB TYR 80 HB2 TYR 80 2.629 -4.052 -8.577 587 2HB TYR 80 HB1 TYR 80 1.387 -2.883 -9.004 588 HD1 TYR 80 HD1 TYR 80 2.173 -0.466 -9.430 589 HD2 TYR 80 HD2 TYR 80 4.768 -3.834 -9.415 590 HE1 TYR 80 HE1 TYR 80 3.815 0.800 -10.748 591 HE2 TYR 80 HE2 TYR 80 6.418 -2.578 -10.731 592 HH TYR 80 HH TYR 80 5.746 0.145 -12.396 593 H LEU 81 HN LEU 81 0.066 -2.163 -5.859 594 HA LEU 81 HA LEU 81 -0.106 -4.936 -4.904 595 1HB LEU 81 HB2 LEU 81 -0.504 -4.222 -2.834 596 2HB LEU 81 HB1 LEU 81 0.021 -2.645 -3.381 597 HG LEU 81 HG LEU 81 -2.871 -3.442 -3.577 598 1HD1 LEU 81 HD11 LEU 81 -1.310 -2.751 -1.157 599 2HD1 LEU 81 HD12 LEU 81 -2.742 -3.764 -1.335 600 3HD1 LEU 81 HD13 LEU 81 -2.898 -2.008 -1.347 601 1HD2 LEU 81 HD21 LEU 81 -3.277 -1.150 -3.695 602 2HD2 LEU 81 HD22 LEU 81 -1.849 -1.387 -4.701 603 3HD2 LEU 81 HD23 LEU 81 -1.682 -0.738 -3.069 604 H GLN 82 HN GLN 82 -1.600 -6.073 -5.862 605 HA GLN 82 HA GLN 82 -3.841 -4.754 -7.172 606 1HB GLN 82 HB2 GLN 82 -2.211 -6.643 -8.094 607 2HB GLN 82 HB1 GLN 82 -3.411 -7.676 -7.341 608 1HG GLN 82 HG2 GLN 82 -5.164 -6.670 -8.685 609 2HG GLN 82 HG1 GLN 82 -3.989 -5.576 -9.414 610 1HE2 GLN 82 HE21 GLN 82 -5.281 -8.768 -9.364 611 2HE2 GLN 82 HE22 GLN 82 -4.415 -9.374 -10.730 612 H MET 83 HN MET 83 -5.304 -4.312 -5.560 613 HA MET 83 HA MET 83 -6.012 -6.304 -3.604 614 1HB MET 83 HB2 MET 83 -7.428 -3.702 -4.189 615 2HB MET 83 HB1 MET 83 -7.518 -4.657 -2.716 616 1HG MET 83 HG2 MET 83 -5.476 -3.984 -1.981 617 2HG MET 83 HG1 MET 83 -4.883 -3.627 -3.600 618 1HE MET 83 HE1 MET 83 -5.565 -1.702 -5.005 619 2HE MET 83 HE2 MET 83 -6.309 -0.205 -4.441 620 3HE MET 83 HE3 MET 83 -7.309 -1.622 -4.758 621 H ASN 84 HN ASN 84 -6.914 -8.056 -4.617 622 HA ASN 84 HA ASN 84 -9.114 -7.677 -6.464 623 1HB ASN 84 HB2 ASN 84 -8.550 -10.430 -5.673 624 2HB ASN 84 HB1 ASN 84 -8.589 -9.698 -7.265 625 1HD2 ASN 84 HD21 ASN 84 -6.776 -10.070 -8.295 626 2HD2 ASN 84 HD22 ASN 84 -5.188 -9.993 -7.619 627 H SER 85 HN SER 85 -10.926 -9.431 -6.118 628 HA SER 85 HA SER 85 -12.922 -9.620 -4.974 629 1HB SER 85 HB2 SER 85 -11.217 -11.530 -4.336 630 2HB SER 85 HB1 SER 85 -11.325 -10.792 -2.737 631 HG SER 85 HG SER 85 -13.185 -11.720 -2.515 632 H LEU 86 HN LEU 86 -11.939 -7.034 -4.549 633 HA LEU 86 HA LEU 86 -11.664 -6.214 -1.916 634 1HB LEU 86 HB2 LEU 86 -11.992 -4.990 -4.439 635 2HB LEU 86 HB1 LEU 86 -13.196 -4.278 -3.381 636 HG LEU 86 HG LEU 86 -11.028 -4.136 -1.775 637 1HD1 LEU 86 HD11 LEU 86 -9.165 -3.288 -3.214 638 2HD1 LEU 86 HD12 LEU 86 -10.022 -3.948 -4.606 639 3HD1 LEU 86 HD13 LEU 86 -9.455 -5.024 -3.329 640 1HD2 LEU 86 HD21 LEU 86 -12.382 -2.310 -3.644 641 2HD2 LEU 86 HD22 LEU 86 -10.794 -1.787 -3.083 642 3HD2 LEU 86 HD23 LEU 86 -12.067 -2.144 -1.917 643 H LYS 87 HN LYS 87 -13.227 -4.948 -0.627 644 HA LYS 87 HA LYS 87 -15.945 -6.078 -0.801 645 1HB LYS 87 HB2 LYS 87 -14.164 -5.698 1.595 646 2HB LYS 87 HB1 LYS 87 -15.909 -5.820 1.763 647 1HG LYS 87 HG2 LYS 87 -15.528 -8.010 1.965 648 2HG LYS 87 HG1 LYS 87 -15.366 -7.984 0.209 649 1HD LYS 87 HD2 LYS 87 -13.233 -8.596 0.362 650 2HD LYS 87 HD1 LYS 87 -12.879 -7.211 1.396 651 1HE LYS 87 HE2 LYS 87 -12.424 -8.732 2.973 652 2HE LYS 87 HE1 LYS 87 -14.173 -8.906 3.112 653 1HZ LYS 87 HZ1 LYS 87 -12.267 -10.621 1.643 654 2HZ LYS 87 HZ2 LYS 87 -13.920 -10.641 1.285 655 3HZ LYS 87 HZ3 LYS 87 -13.386 -11.063 2.833 656 HA PRO 88 HA PRO 88 -17.438 -1.940 -0.505 657 1HB PRO 88 HB2 PRO 88 -19.775 -2.216 0.798 658 2HB PRO 88 HB1 PRO 88 -19.530 -2.863 -0.830 659 1HG PRO 88 HG2 PRO 88 -19.432 -4.280 1.805 660 2HG PRO 88 HG1 PRO 88 -20.181 -4.799 0.284 661 1HD PRO 88 HD2 PRO 88 -17.738 -5.674 1.137 662 2HD PRO 88 HD1 PRO 88 -18.195 -5.565 -0.574 663 H GLU 89 HN GLU 89 -16.188 -3.426 2.129 664 HA GLU 89 HA GLU 89 -16.816 -1.239 3.972 665 1HB GLU 89 HB2 GLU 89 -17.365 -3.370 4.901 666 2HB GLU 89 HB1 GLU 89 -15.821 -4.051 4.408 667 1HG GLU 89 HG2 GLU 89 -15.653 -3.709 6.707 668 2HG GLU 89 HG1 GLU 89 -14.747 -2.396 5.968 669 H ASP 90 HN ASP 90 -14.431 -2.351 1.872 670 HA ASP 90 HA ASP 90 -12.135 -1.516 3.380 671 1HB ASP 90 HB2 ASP 90 -12.606 -2.482 0.580 672 2HB ASP 90 HB1 ASP 90 -11.074 -1.726 0.998 673 H THR 91 HN THR 91 -14.545 0.098 1.680 674 HA THR 91 HA THR 91 -13.349 2.108 0.279 675 HB THR 91 HB THR 91 -15.754 2.204 2.086 676 HG1 THR 91 HG1 THR 91 -15.600 0.748 0.171 677 1HG2 THR 91 HG21 THR 91 -14.539 4.359 0.651 678 2HG2 THR 91 HG22 THR 91 -15.991 4.360 1.653 679 3HG2 THR 91 HG23 THR 91 -16.104 3.968 -0.063 680 H ALA 92 HN ALA 92 -11.573 3.200 0.915 681 HA ALA 92 HA ALA 92 -11.761 5.118 3.002 682 1HB ALA 92 HB1 ALA 92 -10.369 2.555 3.601 683 2HB ALA 92 HB2 ALA 92 -11.357 3.575 4.647 684 3HB ALA 92 HB3 ALA 92 -9.708 4.057 4.247 685 H VAL 93 HN VAL 93 -9.400 6.003 3.488 686 HA VAL 93 HA VAL 93 -8.299 6.632 0.897 687 HB VAL 93 HB VAL 93 -8.718 8.287 2.782 688 1HG1 VAL 93 HG11 VAL 93 -7.342 8.457 4.601 689 2HG1 VAL 93 HG12 VAL 93 -6.011 7.610 3.812 690 3HG1 VAL 93 HG13 VAL 93 -7.404 6.706 4.405 691 1HG2 VAL 93 HG21 VAL 93 -7.607 9.338 1.121 692 2HG2 VAL 93 HG22 VAL 93 -6.367 8.088 1.015 693 3HG2 VAL 93 HG23 VAL 93 -6.281 9.310 2.283 694 H TYR 94 HN TYR 94 -6.938 5.180 0.025 695 HA TYR 94 HA TYR 94 -5.232 3.561 1.683 696 1HB TYR 94 HB2 TYR 94 -6.044 3.650 -1.165 697 2HB TYR 94 HB1 TYR 94 -4.476 2.952 -0.813 698 HD1 TYR 94 HD1 TYR 94 -4.420 0.658 -0.494 699 HD2 TYR 94 HD2 TYR 94 -7.962 2.789 0.510 700 HE1 TYR 94 HE1 TYR 94 -5.514 -1.458 0.115 701 HE2 TYR 94 HE2 TYR 94 -9.066 0.680 1.122 702 HH TYR 94 HH TYR 94 -8.746 -1.830 0.441 703 H THR 95 HN THR 95 -3.628 4.748 2.581 704 HA THR 95 HA THR 95 -2.024 6.466 0.822 705 HB THR 95 HB THR 95 -1.861 6.316 3.830 706 HG1 THR 95 HG1 THR 95 -3.408 8.130 2.300 707 1HG2 THR 95 HG21 THR 95 0.001 7.482 2.972 708 2HG2 THR 95 HG22 THR 95 -1.138 8.701 3.542 709 3HG2 THR 95 HG23 THR 95 -0.995 8.366 1.816 710 H CYS 96 HN CYS 96 0.012 5.991 0.300 711 HA CYS 96 HA CYS 96 1.106 3.457 1.223 712 1HB CYS 96 HB2 CYS 96 1.143 3.848 -1.166 713 2HB CYS 96 HB1 CYS 96 1.991 5.374 -0.943 714 H GLY 97 HN GLY 97 2.869 3.235 2.498 715 1HA GLY 97 HA2 GLY 97 4.389 5.659 3.182 716 2HA GLY 97 HA1 GLY 97 3.724 4.654 4.460 717 H ALA 98 HN ALA 98 6.292 4.999 4.674 718 HA ALA 98 HA ALA 98 7.450 2.463 3.735 719 1HB ALA 98 HB1 ALA 98 8.246 4.644 2.548 720 2HB ALA 98 HB2 ALA 98 9.423 3.427 3.039 721 3HB ALA 98 HB3 ALA 98 9.189 4.873 4.021 722 H GLY 99 HN GLY 99 8.905 1.457 5.150 723 1HA GLY 99 HA2 GLY 99 8.752 2.480 7.909 724 2HA GLY 99 HA1 GLY 99 8.928 0.787 7.475 725 H GLU 100 HN GLU 100 10.562 2.407 9.275 726 HA GLU 100 HA GLU 100 13.145 1.815 8.060 727 1HB GLU 100 HB2 GLU 100 12.856 4.171 7.595 728 2HB GLU 100 HB1 GLU 100 12.400 4.486 9.264 729 1HG GLU 100 HG2 GLU 100 14.664 3.764 9.958 730 2HG GLU 100 HG1 GLU 100 15.098 3.628 8.255 731 H GLY 101 HN GLY 101 14.385 0.717 9.441 732 1HA GLY 101 HA2 GLY 101 15.201 -0.180 11.371 733 2HA GLY 101 HA1 GLY 101 14.696 1.302 12.165 734 H GLY 102 HN GLY 102 12.190 -0.389 10.565 735 1HA GLY 102 HA2 GLY 102 10.842 -2.171 11.452 736 2HA GLY 102 HA1 GLY 102 11.426 -1.758 13.056 737 H THR 103 HN THR 103 10.918 1.177 11.894 738 HA THR 103 HA THR 103 8.172 1.268 12.909 739 HB THR 103 HB THR 103 10.032 3.578 12.433 740 HG1 THR 103 HG1 THR 103 11.069 2.120 13.820 741 1HG2 THR 103 HG21 THR 103 8.150 4.656 13.027 742 2HG2 THR 103 HG22 THR 103 8.675 4.217 14.653 743 3HG2 THR 103 HG23 THR 103 7.463 3.240 13.825 744 H TRP 104 HN TRP 104 7.034 3.357 11.883 745 HA TRP 104 HA TRP 104 7.480 3.498 9.009 746 1HB TRP 104 HB2 TRP 104 4.849 2.651 10.235 747 2HB TRP 104 HB1 TRP 104 5.073 3.084 8.542 748 HD1 TRP 104 HD1 TRP 104 6.101 0.375 11.077 749 HE1 TRP 104 HE1 TRP 104 6.707 -1.762 9.772 750 HE3 TRP 104 HE3 TRP 104 5.789 2.215 6.319 751 HZ2 TRP 104 HZ2 TRP 104 7.015 -2.558 7.078 752 HZ3 TRP 104 HZ3 TRP 104 6.259 0.705 4.435 753 HH2 TRP 104 HH2 TRP 104 6.860 -1.632 4.808 754 H ASP 105 HN ASP 105 8.040 5.642 9.239 755 HA ASP 105 HA ASP 105 5.909 7.440 10.171 756 1HB ASP 105 HB2 ASP 105 7.868 7.616 11.572 757 2HB ASP 105 HB1 ASP 105 8.883 7.854 10.160 758 H SER 106 HN SER 106 7.320 6.291 7.420 759 HA SER 106 HA SER 106 7.242 8.822 5.968 760 1HB SER 106 HB2 SER 106 8.834 6.545 5.733 761 2HB SER 106 HB1 SER 106 7.752 6.462 4.343 762 HG SER 106 HG SER 106 9.034 7.883 3.493 763 H TRP 107 HN TRP 107 5.639 9.403 4.629 764 HA TRP 107 HA TRP 107 3.667 7.388 3.816 765 1HB TRP 107 HB2 TRP 107 2.855 10.114 4.824 766 2HB TRP 107 HB1 TRP 107 1.810 8.749 4.446 767 HD1 TRP 107 HD1 TRP 107 4.068 10.122 7.184 768 HE1 TRP 107 HE1 TRP 107 3.705 8.750 9.331 769 HE3 TRP 107 HE3 TRP 107 1.143 6.389 5.276 770 HZ2 TRP 107 HZ2 TRP 107 2.356 6.396 10.112 771 HZ3 TRP 107 HZ3 TRP 107 0.358 4.615 6.789 772 HH2 TRP 107 HH2 TRP 107 0.953 4.619 9.157 773 H GLY 108 HN GLY 108 2.214 8.203 2.075 774 1HA GLY 108 HA2 GLY 108 3.773 9.910 0.244 775 2HA GLY 108 HA1 GLY 108 2.639 8.665 -0.259 776 H GLN 109 HN GLN 109 1.282 9.886 -1.486 777 HA GLN 109 HA GLN 109 0.170 12.338 -0.380 778 1HB GLN 109 HB2 GLN 109 0.931 12.126 -2.784 779 2HB GLN 109 HB1 GLN 109 -0.457 11.079 -3.046 780 1HG GLN 109 HG2 GLN 109 -1.098 13.635 -1.775 781 2HG GLN 109 HG1 GLN 109 -0.435 13.771 -3.403 782 1HE2 GLN 109 HE21 GLN 109 -3.046 12.521 -1.463 783 2HE2 GLN 109 HE22 GLN 109 -4.146 12.243 -2.765 784 H GLY 110 HN GLY 110 -0.947 9.168 -1.523 785 1HA GLY 110 HA2 GLY 110 -2.651 8.037 -0.182 786 2HA GLY 110 HA1 GLY 110 -3.415 9.603 0.041 787 H THR 111 HN THR 111 -4.622 7.185 -0.965 788 HA THR 111 HA THR 111 -5.761 8.288 -3.390 789 HB THR 111 HB THR 111 -4.032 7.035 -4.428 790 HG1 THR 111 HG1 THR 111 -6.253 5.279 -4.382 791 1HG2 THR 111 HG21 THR 111 -3.677 4.625 -3.989 792 2HG2 THR 111 HG22 THR 111 -4.731 4.768 -2.582 793 3HG2 THR 111 HG23 THR 111 -3.218 5.673 -2.647 794 H GLN 112 HN GLN 112 -7.830 8.331 -2.737 795 HA GLN 112 HA GLN 112 -8.974 6.589 -0.874 796 1HB GLN 112 HB2 GLN 112 -10.142 8.565 -1.085 797 2HB GLN 112 HB1 GLN 112 -10.057 8.558 -2.832 798 1HG GLN 112 HG2 GLN 112 -12.245 8.082 -2.625 799 2HG GLN 112 HG1 GLN 112 -11.642 6.434 -2.487 800 1HE2 GLN 112 HE21 GLN 112 -10.575 6.616 0.096 801 2HE2 GLN 112 HE22 GLN 112 -11.878 6.769 1.208 802 H VAL 113 HN VAL 113 -10.206 4.784 -1.016 803 HA VAL 113 HA VAL 113 -10.310 3.466 -3.650 804 HB VAL 113 HB VAL 113 -9.792 2.332 -0.910 805 1HG1 VAL 113 HG11 VAL 113 -11.076 0.593 -1.583 806 2HG1 VAL 113 HG12 VAL 113 -9.633 0.156 -2.498 807 3HG1 VAL 113 HG13 VAL 113 -10.949 1.022 -3.289 808 1HG2 VAL 113 HG21 VAL 113 -7.833 3.165 -2.043 809 2HG2 VAL 113 HG22 VAL 113 -8.238 2.244 -3.491 810 3HG2 VAL 113 HG23 VAL 113 -7.784 1.402 -2.010 811 H THR 114 HN THR 114 -12.421 4.256 -4.050 812 HA THR 114 HA THR 114 -14.545 3.843 -2.171 813 HB THR 114 HB THR 114 -14.674 4.543 -5.110 814 HG1 THR 114 HG1 THR 114 -14.125 6.460 -4.512 815 1HG2 THR 114 HG21 THR 114 -16.735 4.463 -2.969 816 2HG2 THR 114 HG22 THR 114 -16.854 4.019 -4.671 817 3HG2 THR 114 HG23 THR 114 -16.818 5.719 -4.204 818 H VAL 115 HN VAL 115 -15.922 2.183 -1.991 819 HA VAL 115 HA VAL 115 -16.140 0.227 -4.135 820 HB VAL 115 HB VAL 115 -15.939 -1.070 -1.513 821 1HG1 VAL 115 HG11 VAL 115 -14.299 -2.448 -3.064 822 2HG1 VAL 115 HG12 VAL 115 -15.154 -1.569 -4.331 823 3HG1 VAL 115 HG13 VAL 115 -16.051 -2.588 -3.205 824 1HG2 VAL 115 HG21 VAL 115 -14.157 0.665 -1.310 825 2HG2 VAL 115 HG22 VAL 115 -13.397 -0.016 -2.747 826 3HG2 VAL 115 HG23 VAL 115 -13.552 -0.991 -1.286 827 H SER 116 HN SER 116 -17.970 -1.172 -3.889 828 HA SER 116 HA SER 116 -19.843 -1.186 -1.872 829 1HB SER 116 HB2 SER 116 -20.022 1.220 -3.597 830 2HB SER 116 HB1 SER 116 -21.541 0.394 -3.254 831 HG SER 116 HG SER 116 -19.882 1.829 -1.576 832 H SER 117 HN SER 117 -22.085 -1.838 -2.680 833 HA SER 117 HA SER 117 -21.813 -4.004 -4.456 834 1HB SER 117 HB2 SER 117 -24.190 -2.623 -3.230 835 2HB SER 117 HB1 SER 117 -24.398 -3.944 -4.379 836 HG SER 117 HG SER 117 -22.758 -4.164 -2.084 Start of MODEL 19 1 1H GLN 1 HT1 GLN 1 16.973 13.192 -0.482 2 2H GLN 1 HT2 GLN 1 16.765 14.613 0.458 3 3H GLN 1 HT3 GLN 1 15.753 14.321 -0.897 4 HA GLN 1 HA GLN 1 15.885 12.630 1.506 5 1HB GLN 1 HB2 GLN 1 14.938 15.149 1.460 6 2HB GLN 1 HB1 GLN 1 13.519 14.302 0.859 7 1HG GLN 1 HG2 GLN 1 12.976 13.923 2.970 8 2HG GLN 1 HG1 GLN 1 14.332 12.798 3.037 9 1HE2 GLN 1 HE21 GLN 1 13.009 14.891 4.886 10 2HE2 GLN 1 HE22 GLN 1 14.365 15.720 5.565 11 H VAL 2 HN VAL 2 13.326 11.834 1.540 12 HA VAL 2 HA VAL 2 12.996 10.453 -1.041 13 HB VAL 2 HB VAL 2 11.517 9.020 0.842 14 1HG1 VAL 2 HG11 VAL 2 12.865 8.206 -1.099 15 2HG1 VAL 2 HG12 VAL 2 13.030 7.241 0.368 16 3HG1 VAL 2 HG13 VAL 2 14.304 8.371 -0.093 17 1HG2 VAL 2 HG21 VAL 2 13.235 8.451 2.559 18 2HG2 VAL 2 HG22 VAL 2 12.581 10.082 2.706 19 3HG2 VAL 2 HG23 VAL 2 14.178 9.833 2.001 20 H GLN 3 HN GLN 3 10.815 9.953 -1.704 21 HA GLN 3 HA GLN 3 8.652 11.400 -0.417 22 1HB GLN 3 HB2 GLN 3 8.010 12.524 -2.557 23 2HB GLN 3 HB1 GLN 3 9.494 13.135 -1.840 24 1HG GLN 3 HG2 GLN 3 10.296 11.091 -3.560 25 2HG GLN 3 HG1 GLN 3 9.048 11.980 -4.433 26 1HE2 GLN 3 HE21 GLN 3 9.322 14.297 -4.631 27 2HE2 GLN 3 HE22 GLN 3 10.916 14.958 -4.706 28 H LEU 4 HN LEU 4 6.677 10.495 -0.779 29 HA LEU 4 HA LEU 4 6.628 8.159 -2.574 30 1HB LEU 4 HB2 LEU 4 5.208 8.651 0.037 31 2HB LEU 4 HB1 LEU 4 4.790 7.337 -1.046 32 HG LEU 4 HG LEU 4 7.484 6.962 -0.746 33 1HD1 LEU 4 HD11 LEU 4 6.805 7.263 2.074 34 2HD1 LEU 4 HD12 LEU 4 6.927 8.797 1.212 35 3HD1 LEU 4 HD13 LEU 4 8.287 7.674 1.211 36 1HD2 LEU 4 HD21 LEU 4 6.859 4.968 0.115 37 2HD2 LEU 4 HD22 LEU 4 5.257 5.512 -0.381 38 3HD2 LEU 4 HD23 LEU 4 5.770 5.695 1.297 39 H GLN 5 HN GLN 5 4.982 7.925 -4.007 40 HA GLN 5 HA GLN 5 2.709 9.753 -3.904 41 1HB GLN 5 HB2 GLN 5 4.278 9.471 -6.459 42 2HB GLN 5 HB1 GLN 5 3.009 10.628 -6.084 43 1HG GLN 5 HG2 GLN 5 4.720 11.375 -4.223 44 2HG GLN 5 HG1 GLN 5 5.879 10.643 -5.332 45 1HE2 GLN 5 HE21 GLN 5 5.737 13.390 -4.628 46 2HE2 GLN 5 HE22 GLN 5 5.388 14.281 -6.066 47 H GLU 6 HN GLU 6 0.857 8.826 -4.595 48 HA GLU 6 HA GLU 6 1.023 6.064 -5.538 49 1HB GLU 6 HB2 GLU 6 -1.690 6.945 -5.177 50 2HB GLU 6 HB1 GLU 6 -0.807 5.699 -4.311 51 1HG GLU 6 HG2 GLU 6 -0.791 8.635 -3.642 52 2HG GLU 6 HG1 GLU 6 -1.739 7.397 -2.822 53 H SER 7 HN SER 7 -0.554 5.344 -7.207 54 HA SER 7 HA SER 7 -1.614 7.271 -9.036 55 1HB SER 7 HB2 SER 7 0.686 7.472 -9.743 56 2HB SER 7 HB1 SER 7 0.857 5.720 -9.835 57 HG SER 7 HG SER 7 -0.869 7.313 -11.431 58 H GLY 8 HN GLY 8 -3.439 6.372 -9.700 59 1HA GLY 8 HA2 GLY 8 -4.347 4.586 -11.163 60 2HA GLY 8 HA1 GLY 8 -3.471 3.449 -10.151 61 H GLY 9 HN GLY 9 -4.122 4.660 -7.639 62 1HA GLY 9 HA2 GLY 9 -6.374 3.303 -6.904 63 2HA GLY 9 HA1 GLY 9 -5.763 4.703 -6.044 64 H GLY 10 HN GLY 10 -8.495 3.637 -6.797 65 1HA GLY 10 HA2 GLY 10 -9.814 6.106 -7.003 66 2HA GLY 10 HA1 GLY 10 -9.751 5.377 -8.600 67 H LEU 11 HN LEU 11 -12.118 5.477 -8.307 68 HA LEU 11 HA LEU 11 -13.426 3.861 -6.426 69 1HB LEU 11 HB2 LEU 11 -14.476 4.807 -9.080 70 2HB LEU 11 HB1 LEU 11 -15.426 4.302 -7.691 71 HG LEU 11 HG LEU 11 -13.785 6.309 -6.708 72 1HD1 LEU 11 HD11 LEU 11 -14.444 8.200 -8.293 73 2HD1 LEU 11 HD12 LEU 11 -14.714 6.935 -9.492 74 3HD1 LEU 11 HD13 LEU 11 -13.113 7.153 -8.786 75 1HD2 LEU 11 HD21 LEU 11 -16.598 6.745 -7.674 76 2HD2 LEU 11 HD22 LEU 11 -15.796 7.448 -6.269 77 3HD2 LEU 11 HD23 LEU 11 -16.229 5.739 -6.274 78 H VAL 12 HN VAL 12 -14.478 1.861 -6.689 79 HA VAL 12 HA VAL 12 -14.379 0.348 -9.085 80 HB VAL 12 HB VAL 12 -12.016 0.156 -8.559 81 1HG1 VAL 12 HG11 VAL 12 -12.688 -1.298 -6.027 82 2HG1 VAL 12 HG12 VAL 12 -12.462 0.451 -6.040 83 3HG1 VAL 12 HG13 VAL 12 -11.146 -0.612 -6.540 84 1HG2 VAL 12 HG21 VAL 12 -13.637 -1.865 -9.259 85 2HG2 VAL 12 HG22 VAL 12 -12.941 -2.539 -7.785 86 3HG2 VAL 12 HG23 VAL 12 -11.888 -2.035 -9.107 87 H GLN 13 HN GLN 13 -16.370 -0.463 -8.846 88 HA GLN 13 HA GLN 13 -17.675 -1.033 -6.469 89 1HB GLN 13 HB2 GLN 13 -19.367 -1.947 -7.793 90 2HB GLN 13 HB1 GLN 13 -18.603 -0.772 -8.842 91 1HG GLN 13 HG2 GLN 13 -17.378 -2.540 -9.966 92 2HG GLN 13 HG1 GLN 13 -18.089 -3.738 -8.886 93 1HE2 GLN 13 HE21 GLN 13 -19.054 -4.878 -10.543 94 2HE2 GLN 13 HE22 GLN 13 -20.412 -4.274 -11.424 95 H ALA 14 HN ALA 14 -18.373 -3.121 -5.633 96 HA ALA 14 HA ALA 14 -16.320 -4.766 -4.865 97 1HB ALA 14 HB1 ALA 14 -18.582 -6.394 -4.806 98 2HB ALA 14 HB2 ALA 14 -19.190 -4.748 -4.630 99 3HB ALA 14 HB3 ALA 14 -17.975 -5.364 -3.510 100 H GLY 15 HN GLY 15 -15.759 -6.935 -5.398 101 1HA GLY 15 HA2 GLY 15 -15.339 -8.705 -6.811 102 2HA GLY 15 HA1 GLY 15 -16.748 -8.224 -7.743 103 H GLY 16 HN GLY 16 -14.612 -5.640 -7.374 104 1HA GLY 16 HA2 GLY 16 -13.473 -6.185 -10.045 105 2HA GLY 16 HA1 GLY 16 -13.925 -4.583 -9.483 106 H SER 17 HN SER 17 -11.388 -6.683 -9.929 107 HA SER 17 HA SER 17 -9.741 -6.031 -7.723 108 1HB SER 17 HB2 SER 17 -8.810 -6.908 -10.436 109 2HB SER 17 HB1 SER 17 -8.010 -7.156 -8.893 110 HG SER 17 HG SER 17 -10.362 -8.383 -9.865 111 H LEU 18 HN LEU 18 -8.313 -4.409 -7.408 112 HA LEU 18 HA LEU 18 -7.827 -2.541 -9.619 113 1HB LEU 18 HB2 LEU 18 -9.580 -1.580 -8.229 114 2HB LEU 18 HB1 LEU 18 -8.593 -1.800 -6.796 115 HG LEU 18 HG LEU 18 -6.908 -0.287 -8.205 116 1HD1 LEU 18 HD11 LEU 18 -8.032 0.173 -10.151 117 2HD1 LEU 18 HD12 LEU 18 -8.505 1.552 -9.160 118 3HD1 LEU 18 HD13 LEU 18 -9.610 0.193 -9.364 119 1HD2 LEU 18 HD21 LEU 18 -9.252 0.776 -6.632 120 2HD2 LEU 18 HD22 LEU 18 -7.741 1.628 -6.948 121 3HD2 LEU 18 HD23 LEU 18 -7.742 0.174 -5.950 122 H ARG 19 HN ARG 19 -5.754 -1.953 -9.839 123 HA ARG 19 HA ARG 19 -3.880 -2.795 -7.734 124 1HB ARG 19 HB2 ARG 19 -3.627 -3.854 -9.971 125 2HB ARG 19 HB1 ARG 19 -3.308 -2.266 -10.650 126 1HG ARG 19 HG2 ARG 19 -1.593 -2.821 -8.389 127 2HG ARG 19 HG1 ARG 19 -1.444 -4.050 -9.648 128 1HD ARG 19 HD2 ARG 19 -1.315 -1.095 -10.209 129 2HD ARG 19 HD1 ARG 19 0.110 -2.065 -9.839 130 HE ARG 19 HE ARG 19 -1.367 -2.021 -12.303 131 1HH1 ARG 19 HH11 ARG 19 0.759 -3.909 -10.280 132 2HH1 ARG 19 HH12 ARG 19 1.356 -4.871 -11.589 133 1HH2 ARG 19 HH21 ARG 19 -0.581 -3.285 -14.028 134 2HH2 ARG 19 HH22 ARG 19 0.600 -4.513 -13.718 135 H LEU 20 HN LEU 20 -2.697 -1.323 -6.688 136 HA LEU 20 HA LEU 20 -2.691 1.430 -7.726 137 1HB LEU 20 HB2 LEU 20 -2.143 0.831 -4.858 138 2HB LEU 20 HB1 LEU 20 -2.814 2.277 -5.582 139 HG LEU 20 HG LEU 20 -4.260 -0.342 -5.182 140 1HD1 LEU 20 HD11 LEU 20 -5.638 1.605 -3.853 141 2HD1 LEU 20 HD12 LEU 20 -3.962 2.087 -3.585 142 3HD1 LEU 20 HD13 LEU 20 -4.502 0.475 -3.115 143 1HD2 LEU 20 HD21 LEU 20 -6.128 1.582 -5.771 144 2HD2 LEU 20 HD22 LEU 20 -5.529 0.355 -6.886 145 3HD2 LEU 20 HD23 LEU 20 -4.811 1.966 -6.879 146 H SER 21 HN SER 21 -0.781 2.575 -7.714 147 HA SER 21 HA SER 21 1.645 1.045 -7.059 148 1HB SER 21 HB2 SER 21 1.516 2.975 -9.362 149 2HB SER 21 HB1 SER 21 2.694 1.703 -9.054 150 HG SER 21 HG SER 21 0.076 1.506 -10.046 151 H CYS 22 HN CYS 22 2.807 2.020 -5.547 152 HA CYS 22 HA CYS 22 2.859 4.959 -5.518 153 1HB CYS 22 HB2 CYS 22 3.102 4.845 -3.034 154 2HB CYS 22 HB1 CYS 22 1.535 4.303 -3.622 155 H ALA 23 HN ALA 23 4.801 5.749 -5.854 156 HA ALA 23 HA ALA 23 7.118 4.006 -5.685 157 1HB ALA 23 HB1 ALA 23 6.715 6.770 -6.804 158 2HB ALA 23 HB2 ALA 23 6.980 5.267 -7.687 159 3HB ALA 23 HB3 ALA 23 8.287 5.973 -6.737 160 H ALA 24 HN ALA 24 9.199 5.106 -4.903 161 HA ALA 24 HA ALA 24 8.887 6.963 -2.713 162 1HB ALA 24 HB1 ALA 24 10.171 5.202 -1.225 163 2HB ALA 24 HB2 ALA 24 9.331 4.055 -2.269 164 3HB ALA 24 HB3 ALA 24 8.409 5.216 -1.315 165 H SER 25 HN SER 25 10.247 7.561 -4.868 166 HA SER 25 HA SER 25 12.953 6.695 -4.916 167 1HB SER 25 HB2 SER 25 13.304 8.464 -6.543 168 2HB SER 25 HB1 SER 25 11.770 7.663 -6.883 169 HG SER 25 HG SER 25 12.272 10.236 -5.944 170 H GLY 26 HN GLY 26 14.839 7.939 -4.408 171 1HA GLY 26 HA2 GLY 26 14.991 10.376 -3.152 172 2HA GLY 26 HA1 GLY 26 14.641 9.234 -1.863 173 H ARG 27 HN ARG 27 16.308 8.245 -0.923 174 HA ARG 27 HA ARG 27 18.670 7.494 -2.328 175 1HB ARG 27 HB2 ARG 27 18.700 10.098 -1.644 176 2HB ARG 27 HB1 ARG 27 19.387 9.390 -0.192 177 1HG ARG 27 HG2 ARG 27 21.344 9.043 -1.185 178 2HG ARG 27 HG1 ARG 27 20.580 8.286 -2.584 179 1HD ARG 27 HD2 ARG 27 20.414 10.272 -3.738 180 2HD ARG 27 HD1 ARG 27 20.430 11.247 -2.270 181 HE ARG 27 HE ARG 27 22.898 9.859 -2.791 182 1HH1 ARG 27 HH11 ARG 27 21.054 12.765 -3.369 183 2HH1 ARG 27 HH12 ARG 27 22.448 13.730 -3.718 184 1HH2 ARG 27 HH21 ARG 27 24.735 11.129 -3.251 185 2HH2 ARG 27 HH22 ARG 27 24.538 12.803 -3.648 186 H THR 28 HN THR 28 17.410 5.668 -1.188 187 HA THR 28 HA THR 28 18.636 5.256 1.457 188 HB THR 28 HB THR 28 16.085 3.859 0.940 189 HG1 THR 28 HG1 THR 28 15.354 5.760 0.196 190 1HG2 THR 28 HG21 THR 28 16.563 3.527 3.105 191 2HG2 THR 28 HG22 THR 28 15.777 5.094 3.301 192 3HG2 THR 28 HG23 THR 28 17.537 4.992 3.230 193 H GLY 29 HN GLY 29 17.874 2.649 1.881 194 1HA GLY 29 HA2 GLY 29 17.889 0.680 0.141 195 2HA GLY 29 HA1 GLY 29 19.519 1.283 -0.098 196 H SER 30 HN SER 30 17.738 1.079 2.940 197 HA SER 30 HA SER 30 19.669 -0.943 3.862 198 1HB SER 30 HB2 SER 30 20.186 1.248 4.845 199 2HB SER 30 HB1 SER 30 18.535 1.371 5.451 200 HG SER 30 HG SER 30 20.649 0.122 6.544 201 H THR 31 HN THR 31 16.738 0.581 5.192 202 HA THR 31 HA THR 31 15.357 -1.984 5.130 203 HB THR 31 HB THR 31 14.657 -1.319 7.618 204 HG1 THR 31 HG1 THR 31 16.553 -0.586 8.706 205 1HG2 THR 31 HG21 THR 31 17.314 -2.609 7.502 206 2HG2 THR 31 HG22 THR 31 15.988 -3.384 6.635 207 3HG2 THR 31 HG23 THR 31 15.854 -3.085 8.368 208 H TYR 32 HN TYR 32 15.107 0.655 3.835 209 HA TYR 32 HA TYR 32 12.895 2.042 4.935 210 1HB TYR 32 HB2 TYR 32 14.699 2.719 3.112 211 2HB TYR 32 HB1 TYR 32 13.458 2.140 2.009 212 HD1 TYR 32 HD1 TYR 32 12.365 3.920 1.039 213 HD2 TYR 32 HD2 TYR 32 13.349 4.134 5.171 214 HE1 TYR 32 HE1 TYR 32 11.225 6.093 1.192 215 HE2 TYR 32 HE2 TYR 32 12.211 6.306 5.337 216 HH TYR 32 HH TYR 32 11.147 8.041 2.550 217 H ASP 33 HN ASP 33 11.757 -0.159 5.289 218 HA ASP 33 HA ASP 33 10.607 -1.675 3.313 219 1HB ASP 33 HB2 ASP 33 9.155 -0.828 5.824 220 2HB ASP 33 HB1 ASP 33 8.922 -2.311 4.904 221 H MET 34 HN MET 34 8.302 -1.703 2.589 222 HA MET 34 HA MET 34 7.063 0.925 2.370 223 1HB MET 34 HB2 MET 34 8.460 -0.438 0.193 224 2HB MET 34 HB1 MET 34 6.802 -0.016 -0.214 225 1HG MET 34 HG2 MET 34 7.631 2.291 0.907 226 2HG MET 34 HG1 MET 34 9.143 1.703 0.219 227 1HE MET 34 HE1 MET 34 8.985 0.443 -2.121 228 2HE MET 34 HE2 MET 34 9.667 2.015 -2.537 229 3HE MET 34 HE3 MET 34 8.370 1.329 -3.516 230 H GLY 35 HN GLY 35 4.933 0.770 2.650 231 1HA GLY 35 HA2 GLY 35 3.477 -1.528 1.637 232 2HA GLY 35 HA1 GLY 35 3.520 -1.387 3.386 233 H TRP 36 HN TRP 36 1.195 -1.307 1.711 234 HA TRP 36 HA TRP 36 0.346 1.443 1.604 235 1HB TRP 36 HB2 TRP 36 -1.070 -1.137 1.031 236 2HB TRP 36 HB1 TRP 36 -1.807 0.438 0.844 237 HD1 TRP 36 HD1 TRP 36 0.985 -1.734 -0.673 238 HE1 TRP 36 HE1 TRP 36 1.447 -0.899 -3.063 239 HE3 TRP 36 HE3 TRP 36 -2.033 2.393 -0.690 240 HZ2 TRP 36 HZ2 TRP 36 0.640 1.226 -4.734 241 HZ3 TRP 36 HZ3 TRP 36 -2.132 3.774 -2.724 242 HH2 TRP 36 HH2 TRP 36 -0.825 3.202 -4.704 243 H PHE 37 HN PHE 37 -1.447 2.279 2.736 244 HA PHE 37 HA PHE 37 -2.180 0.861 5.194 245 1HB PHE 37 HB2 PHE 37 -0.995 3.580 4.843 246 2HB PHE 37 HB1 PHE 37 -2.185 3.349 6.107 247 HD1 PHE 37 HD1 PHE 37 -1.373 2.892 8.199 248 HD2 PHE 37 HD2 PHE 37 0.860 1.630 4.803 249 HE1 PHE 37 HE1 PHE 37 0.394 2.039 9.683 250 HE2 PHE 37 HE2 PHE 37 2.630 0.771 6.281 251 HZ PHE 37 HZ PHE 37 2.399 0.976 8.725 252 H ARG 38 HN ARG 38 -3.962 2.451 6.289 253 HA ARG 38 HA ARG 38 -5.778 3.502 4.284 254 1HB ARG 38 HB2 ARG 38 -7.216 1.828 6.173 255 2HB ARG 38 HB1 ARG 38 -7.406 1.976 4.442 256 1HG ARG 38 HG2 ARG 38 -6.007 0.236 3.993 257 2HG ARG 38 HG1 ARG 38 -5.059 0.469 5.460 258 1HD ARG 38 HD2 ARG 38 -6.690 -1.572 5.217 259 2HD ARG 38 HD1 ARG 38 -6.509 -0.735 6.757 260 HE ARG 38 HE ARG 38 -8.670 0.027 6.568 261 1HH1 ARG 38 HH11 ARG 38 -7.654 -1.326 3.515 262 2HH1 ARG 38 HH12 ARG 38 -9.243 -1.292 2.829 263 1HH2 ARG 38 HH21 ARG 38 -10.762 0.071 5.667 264 2HH2 ARG 38 HH22 ARG 38 -11.008 -0.501 4.051 265 H GLN 39 HN GLN 39 -7.520 4.778 5.197 266 HA GLN 39 HA GLN 39 -7.415 5.375 8.027 267 1HB GLN 39 HB2 GLN 39 -5.881 6.910 6.205 268 2HB GLN 39 HB1 GLN 39 -7.243 7.908 6.693 269 1HG GLN 39 HG2 GLN 39 -5.394 6.511 8.610 270 2HG GLN 39 HG1 GLN 39 -5.219 8.187 8.094 271 1HE2 GLN 39 HE21 GLN 39 -5.416 7.785 10.704 272 2HE2 GLN 39 HE22 GLN 39 -6.969 8.246 11.304 273 H ALA 40 HN ALA 40 -9.497 5.291 8.530 274 HA ALA 40 HA ALA 40 -11.492 6.306 6.639 275 1HB ALA 40 HB1 ALA 40 -12.389 5.033 9.142 276 2HB ALA 40 HB2 ALA 40 -11.482 4.001 8.037 277 3HB ALA 40 HB3 ALA 40 -12.951 4.806 7.486 278 HA PRO 41 HA PRO 41 -12.402 9.897 9.010 279 1HB PRO 41 HB2 PRO 41 -15.110 10.079 8.872 280 2HB PRO 41 HB1 PRO 41 -14.056 10.414 7.493 281 1HG PRO 41 HG2 PRO 41 -15.602 7.933 8.137 282 2HG PRO 41 HG1 PRO 41 -15.396 8.750 6.577 283 1HD PRO 41 HD2 PRO 41 -13.981 6.543 7.273 284 2HD PRO 41 HD1 PRO 41 -13.324 7.808 6.216 285 H GLY 42 HN GLY 42 -12.592 10.441 11.075 286 1HA GLY 42 HA2 GLY 42 -13.133 10.319 13.308 287 2HA GLY 42 HA1 GLY 42 -14.479 9.277 12.865 288 H LYS 43 HN LYS 43 -11.774 7.950 11.504 289 HA LYS 43 HA LYS 43 -11.377 6.164 13.810 290 1HB LYS 43 HB2 LYS 43 -12.400 5.471 11.455 291 2HB LYS 43 HB1 LYS 43 -10.702 5.344 11.036 292 1HG LYS 43 HG2 LYS 43 -10.715 3.297 11.890 293 2HG LYS 43 HG1 LYS 43 -10.949 4.020 13.482 294 1HD LYS 43 HD2 LYS 43 -13.478 4.084 12.582 295 2HD LYS 43 HD1 LYS 43 -12.886 2.673 11.701 296 1HE LYS 43 HE2 LYS 43 -12.060 2.659 14.484 297 2HE LYS 43 HE1 LYS 43 -13.813 2.724 14.312 298 1HZ LYS 43 HZ1 LYS 43 -13.485 0.492 14.217 299 2HZ LYS 43 HZ2 LYS 43 -11.945 0.614 13.528 300 3HZ LYS 43 HZ3 LYS 43 -13.319 0.840 12.569 301 H GLU 44 HN GLU 44 -9.169 4.834 13.190 302 HA GLU 44 HA GLU 44 -7.106 6.912 13.084 303 1HB GLU 44 HB2 GLU 44 -5.652 5.282 14.205 304 2HB GLU 44 HB1 GLU 44 -7.124 5.564 15.121 305 1HG GLU 44 HG2 GLU 44 -7.817 3.447 14.908 306 2HG GLU 44 HG1 GLU 44 -7.279 3.333 13.233 307 H ARG 45 HN ARG 45 -4.883 5.551 12.420 308 HA ARG 45 HA ARG 45 -5.428 4.798 9.643 309 1HB ARG 45 HB2 ARG 45 -3.149 5.349 9.162 310 2HB ARG 45 HB1 ARG 45 -3.818 6.650 10.137 311 1HG ARG 45 HG2 ARG 45 -2.727 5.705 12.123 312 2HG ARG 45 HG1 ARG 45 -2.027 4.436 11.116 313 1HD ARG 45 HD2 ARG 45 -0.977 6.265 9.739 314 2HD ARG 45 HD1 ARG 45 -1.500 7.398 10.984 315 HE ARG 45 HE ARG 45 0.683 5.530 11.140 316 1HH1 ARG 45 HH11 ARG 45 -1.589 7.446 12.970 317 2HH1 ARG 45 HH12 ARG 45 -0.595 7.497 14.387 318 1HH2 ARG 45 HH21 ARG 45 1.991 5.596 13.004 319 2HH2 ARG 45 HH22 ARG 45 1.437 6.449 14.406 320 H GLU 46 HN GLU 46 -5.285 2.764 8.994 321 HA GLU 46 HA GLU 46 -3.733 0.862 10.624 322 1HB GLU 46 HB2 GLU 46 -5.423 -0.861 9.885 323 2HB GLU 46 HB1 GLU 46 -6.026 0.351 11.006 324 1HG GLU 46 HG2 GLU 46 -7.305 1.400 9.394 325 2HG GLU 46 HG1 GLU 46 -6.356 0.737 8.065 326 H SER 47 HN SER 47 -2.385 -0.520 9.545 327 HA SER 47 HA SER 47 -1.738 0.115 6.851 328 1HB SER 47 HB2 SER 47 0.144 -0.440 8.056 329 2HB SER 47 HB1 SER 47 -0.654 -1.736 8.928 330 HG SER 47 HG SER 47 0.459 -1.733 6.354 331 H VAL 48 HN VAL 48 -1.271 -1.736 5.347 332 HA VAL 48 HA VAL 48 -3.461 -3.700 5.332 333 HB VAL 48 HB VAL 48 -2.544 -2.445 2.785 334 1HG1 VAL 48 HG11 VAL 48 -5.278 -3.478 3.392 335 2HG1 VAL 48 HG12 VAL 48 -3.964 -4.598 3.033 336 3HG1 VAL 48 HG13 VAL 48 -4.436 -3.382 1.845 337 1HG2 VAL 48 HG21 VAL 48 -4.888 -1.181 3.209 338 2HG2 VAL 48 HG22 VAL 48 -3.311 -0.474 3.563 339 3HG2 VAL 48 HG23 VAL 48 -4.247 -1.233 4.852 340 H ALA 49 HN ALA 49 -0.690 -2.875 3.244 341 HA ALA 49 HA ALA 49 0.467 -5.502 3.783 342 1HB ALA 49 HB1 ALA 49 -1.019 -5.654 1.757 343 2HB ALA 49 HB2 ALA 49 0.662 -6.122 1.502 344 3HB ALA 49 HB3 ALA 49 0.094 -4.545 0.956 345 H ALA 50 HN ALA 50 2.597 -5.388 4.071 346 HA ALA 50 HA ALA 50 4.073 -3.192 2.793 347 1HB ALA 50 HB1 ALA 50 4.723 -2.237 4.704 348 2HB ALA 50 HB2 ALA 50 5.004 -3.790 5.492 349 3HB ALA 50 HB3 ALA 50 3.376 -3.113 5.433 350 H ILE 51 HN ILE 51 6.217 -3.596 2.313 351 HA ILE 51 HA ILE 51 7.134 -6.357 2.772 352 HB ILE 51 HB ILE 51 6.496 -6.065 0.436 353 1HG1 ILE 51 HG12 ILE 51 9.329 -6.105 -0.097 354 2HG1 ILE 51 HG11 ILE 51 8.984 -6.980 1.392 355 1HG2 ILE 51 HG21 ILE 51 7.889 -4.518 -0.985 356 2HG2 ILE 51 HG22 ILE 51 8.438 -3.774 0.517 357 3HG2 ILE 51 HG23 ILE 51 6.727 -3.738 0.089 358 1HD1 ILE 51 HD11 ILE 51 8.582 -7.784 -1.320 359 2HD1 ILE 51 HD12 ILE 51 7.047 -7.804 -0.452 360 3HD1 ILE 51 HD13 ILE 51 8.419 -8.724 0.163 361 H ASN 52 HN ASN 52 9.236 -6.661 3.342 362 HA ASN 52 HA ASN 52 10.640 -4.411 4.407 363 1HB ASN 52 HB2 ASN 52 11.694 -7.220 4.186 364 2HB ASN 52 HB1 ASN 52 12.062 -6.003 5.391 365 1HD2 ASN 52 HD21 ASN 52 10.443 -8.780 4.877 366 2HD2 ASN 52 HD22 ASN 52 9.241 -8.659 6.112 367 H TRP 53 HN TRP 53 12.897 -3.945 3.923 368 HA TRP 53 HA TRP 53 13.439 -4.206 1.054 369 1HB TRP 53 HB2 TRP 53 13.483 -2.005 2.708 370 2HB TRP 53 HB1 TRP 53 15.184 -2.439 2.613 371 HD1 TRP 53 HD1 TRP 53 13.232 -0.007 1.130 372 HE1 TRP 53 HE1 TRP 53 13.809 0.476 -1.329 373 HE3 TRP 53 HE3 TRP 53 15.855 -4.266 0.052 374 HZ2 TRP 53 HZ2 TRP 53 15.191 -0.776 -3.444 375 HZ3 TRP 53 HZ3 TRP 53 16.770 -4.543 -2.212 376 HH2 TRP 53 HH2 TRP 53 16.444 -2.833 -3.924 377 H ASP 54 HN ASP 54 13.925 -6.507 2.417 378 HA ASP 54 HA ASP 54 16.829 -6.703 2.202 379 1HB ASP 54 HB2 ASP 54 16.833 -8.163 4.292 380 2HB ASP 54 HB1 ASP 54 16.651 -6.430 4.548 381 H SER 55 HN SER 55 14.327 -7.608 0.745 382 HA SER 55 HA SER 55 13.543 -9.444 -0.351 383 1HB SER 55 HB2 SER 55 16.209 -9.332 -0.769 384 2HB SER 55 HB1 SER 55 16.088 -10.928 -0.028 385 HG SER 55 HG SER 55 15.813 -10.702 -2.427 386 H ALA 56 HN ALA 56 12.554 -9.582 2.055 387 HA ALA 56 HA ALA 56 13.113 -12.291 3.049 388 1HB ALA 56 HB1 ALA 56 11.842 -11.343 5.123 389 2HB ALA 56 HB2 ALA 56 12.294 -9.782 4.438 390 3HB ALA 56 HB3 ALA 56 13.543 -10.951 4.869 391 H ARG 57 HN ARG 57 10.344 -10.079 3.344 392 HA ARG 57 HA ARG 57 8.596 -11.541 1.696 393 1HB ARG 57 HB2 ARG 57 9.040 -13.082 3.767 394 2HB ARG 57 HB1 ARG 57 7.921 -11.996 4.578 395 1HG ARG 57 HG2 ARG 57 6.133 -12.641 3.261 396 2HG ARG 57 HG1 ARG 57 7.172 -13.254 1.973 397 1HD ARG 57 HD2 ARG 57 6.687 -15.264 2.856 398 2HD ARG 57 HD1 ARG 57 7.922 -14.839 4.041 399 HE ARG 57 HE ARG 57 6.277 -14.843 5.608 400 1HH1 ARG 57 HH11 ARG 57 4.811 -14.143 2.518 401 2HH1 ARG 57 HH12 ARG 57 3.207 -14.044 3.161 402 1HH2 ARG 57 HH21 ARG 57 4.167 -14.713 6.455 403 2HH2 ARG 57 HH22 ARG 57 2.841 -14.370 5.395 404 H THR 58 HN THR 58 6.220 -10.959 2.244 405 HA THR 58 HA THR 58 6.189 -8.103 2.868 406 HB THR 58 HB THR 58 3.664 -9.223 1.953 407 HG1 THR 58 HG1 THR 58 5.958 -9.559 0.321 408 1HG2 THR 58 HG21 THR 58 4.846 -7.519 0.032 409 2HG2 THR 58 HG22 THR 58 5.168 -6.851 1.633 410 3HG2 THR 58 HG23 THR 58 3.510 -7.185 1.134 411 H TYR 59 HN TYR 59 3.855 -7.477 3.759 412 HA TYR 59 HA TYR 59 3.108 -9.259 5.955 413 1HB TYR 59 HB2 TYR 59 4.717 -7.776 6.960 414 2HB TYR 59 HB1 TYR 59 3.947 -6.371 6.237 415 HD1 TYR 59 HD1 TYR 59 2.574 -5.098 7.582 416 HD2 TYR 59 HD2 TYR 59 3.068 -9.224 8.494 417 HE1 TYR 59 HE1 TYR 59 1.176 -4.816 9.585 418 HE2 TYR 59 HE2 TYR 59 1.671 -8.954 10.500 419 HH TYR 59 HH TYR 59 0.926 -7.224 12.008 420 H TYR 60 HN TYR 60 1.107 -9.660 5.073 421 HA TYR 60 HA TYR 60 -0.572 -7.550 4.096 422 1HB TYR 60 HB2 TYR 60 -1.065 -10.482 4.627 423 2HB TYR 60 HB1 TYR 60 -2.264 -9.399 3.939 424 HD1 TYR 60 HD1 TYR 60 0.401 -11.618 3.234 425 HD2 TYR 60 HD2 TYR 60 -1.579 -8.152 1.762 426 HE1 TYR 60 HE1 TYR 60 1.305 -12.062 0.991 427 HE2 TYR 60 HE2 TYR 60 -0.680 -8.586 -0.485 428 HH TYR 60 HH TYR 60 0.198 -10.406 -1.797 429 H ALA 61 HN ALA 61 -2.889 -7.442 4.943 430 HA ALA 61 HA ALA 61 -2.810 -7.336 7.887 431 1HB ALA 61 HB1 ALA 61 -3.060 -5.131 7.255 432 2HB ALA 61 HB2 ALA 61 -4.737 -5.632 7.469 433 3HB ALA 61 HB3 ALA 61 -4.046 -5.535 5.850 434 H SER 62 HN SER 62 -5.098 -7.412 8.858 435 HA SER 62 HA SER 62 -6.245 -9.906 8.145 436 1HB SER 62 HB2 SER 62 -6.212 -8.458 10.434 437 2HB SER 62 HB1 SER 62 -7.834 -8.081 9.854 438 HG SER 62 HG SER 62 -8.022 -10.460 9.592 439 H SER 63 HN SER 63 -8.338 -10.348 7.384 440 HA SER 63 HA SER 63 -10.296 -10.005 6.238 441 1HB SER 63 HB2 SER 63 -10.280 -7.691 7.440 442 2HB SER 63 HB1 SER 63 -9.706 -7.078 5.889 443 HG SER 63 HG SER 63 -12.149 -8.376 6.473 444 H VAL 64 HN VAL 64 -7.177 -9.347 5.261 445 HA VAL 64 HA VAL 64 -7.849 -9.904 2.497 446 HB VAL 64 HB VAL 64 -6.348 -8.065 1.675 447 1HG1 VAL 64 HG11 VAL 64 -8.070 -6.286 1.933 448 2HG1 VAL 64 HG12 VAL 64 -8.895 -7.317 3.102 449 3HG1 VAL 64 HG13 VAL 64 -8.723 -7.844 1.428 450 1HG2 VAL 64 HG21 VAL 64 -5.758 -6.250 3.068 451 2HG2 VAL 64 HG22 VAL 64 -5.312 -7.706 3.959 452 3HG2 VAL 64 HG23 VAL 64 -6.782 -6.828 4.382 453 H ARG 65 HN ARG 65 -6.151 -10.807 5.029 454 HA ARG 65 HA ARG 65 -3.500 -10.926 4.067 455 1HB ARG 65 HB2 ARG 65 -4.574 -11.197 6.493 456 2HB ARG 65 HB1 ARG 65 -4.493 -12.895 6.054 457 1HG ARG 65 HG2 ARG 65 -2.014 -12.185 5.396 458 2HG ARG 65 HG1 ARG 65 -2.329 -10.973 6.637 459 1HD ARG 65 HD2 ARG 65 -3.243 -13.532 7.542 460 2HD ARG 65 HD1 ARG 65 -1.575 -13.666 6.989 461 HE ARG 65 HE ARG 65 -0.915 -12.424 8.792 462 1HH1 ARG 65 HH11 ARG 65 -4.360 -12.059 8.380 463 2HH1 ARG 65 HH12 ARG 65 -4.574 -11.202 9.869 464 1HH2 ARG 65 HH21 ARG 65 -1.193 -11.295 10.751 465 2HH2 ARG 65 HH22 ARG 65 -2.776 -10.764 11.213 466 H GLY 66 HN GLY 66 -3.915 -11.691 1.969 467 1HA GLY 66 HA2 GLY 66 -3.090 -13.867 0.979 468 2HA GLY 66 HA1 GLY 66 -4.469 -14.576 1.805 469 H ARG 67 HN ARG 67 -5.407 -11.569 0.847 470 HA ARG 67 HA ARG 67 -6.598 -12.646 -1.626 471 1HB ARG 67 HB2 ARG 67 -7.712 -10.238 -0.252 472 2HB ARG 67 HB1 ARG 67 -8.536 -11.458 -1.213 473 1HG ARG 67 HG2 ARG 67 -8.348 -13.054 0.609 474 2HG ARG 67 HG1 ARG 67 -7.458 -11.874 1.570 475 1HD ARG 67 HD2 ARG 67 -10.282 -12.237 1.319 476 2HD ARG 67 HD1 ARG 67 -9.393 -11.153 2.385 477 HE ARG 67 HE ARG 67 -9.848 -9.413 0.954 478 1HH1 ARG 67 HH11 ARG 67 -10.651 -12.431 -0.603 479 2HH1 ARG 67 HH12 ARG 67 -11.464 -11.674 -1.930 480 1HH2 ARG 67 HH21 ARG 67 -10.912 -8.414 -0.793 481 2HH2 ARG 67 HH22 ARG 67 -11.609 -9.394 -2.040 482 H PHE 68 HN PHE 68 -5.461 -9.587 -0.194 483 HA PHE 68 HA PHE 68 -5.269 -8.272 -2.733 484 1HB PHE 68 HB2 PHE 68 -4.416 -7.583 0.070 485 2HB PHE 68 HB1 PHE 68 -3.935 -6.578 -1.292 486 HD1 PHE 68 HD1 PHE 68 -5.107 -4.675 -0.338 487 HD2 PHE 68 HD2 PHE 68 -7.178 -8.252 -1.353 488 HE1 PHE 68 HE1 PHE 68 -7.246 -3.471 -0.205 489 HE2 PHE 68 HE2 PHE 68 -9.321 -7.053 -1.222 490 HZ PHE 68 HZ PHE 68 -9.358 -4.659 -0.648 491 H THR 69 HN THR 69 -3.556 -8.109 -4.078 492 HA THR 69 HA THR 69 -1.168 -9.660 -3.400 493 HB THR 69 HB THR 69 -1.942 -8.452 -6.063 494 HG1 THR 69 HG1 THR 69 -3.415 -10.082 -5.193 495 1HG2 THR 69 HG21 THR 69 0.117 -10.490 -5.282 496 2HG2 THR 69 HG22 THR 69 0.354 -8.965 -6.135 497 3HG2 THR 69 HG23 THR 69 -0.476 -10.301 -6.933 498 H ILE 70 HN ILE 70 0.923 -8.862 -3.761 499 HA ILE 70 HA ILE 70 1.322 -6.011 -4.126 500 HB ILE 70 HB ILE 70 0.794 -6.252 -1.748 501 1HG1 ILE 70 HG12 ILE 70 2.354 -4.494 -2.553 502 2HG1 ILE 70 HG11 ILE 70 2.640 -4.970 -0.883 503 1HG2 ILE 70 HG21 ILE 70 2.133 -7.504 -0.240 504 2HG2 ILE 70 HG22 ILE 70 3.309 -7.877 -1.501 505 3HG2 ILE 70 HG23 ILE 70 1.688 -8.576 -1.571 506 1HD1 ILE 70 HD11 ILE 70 4.364 -5.155 -3.216 507 2HD1 ILE 70 HD12 ILE 70 4.322 -6.622 -2.241 508 3HD1 ILE 70 HD13 ILE 70 4.773 -5.086 -1.503 509 H SER 71 HN SER 71 3.256 -5.575 -5.021 510 HA SER 71 HA SER 71 5.484 -7.393 -4.765 511 1HB SER 71 HB2 SER 71 4.480 -8.583 -6.535 512 2HB SER 71 HB1 SER 71 3.963 -7.107 -7.350 513 HG SER 71 HG SER 71 5.740 -7.313 -8.440 514 H ARG 72 HN ARG 72 7.456 -6.528 -5.581 515 HA ARG 72 HA ARG 72 7.374 -3.606 -5.842 516 1HB ARG 72 HB2 ARG 72 8.831 -5.089 -4.133 517 2HB ARG 72 HB1 ARG 72 9.959 -5.014 -5.479 518 1HG ARG 72 HG2 ARG 72 9.400 -2.446 -5.374 519 2HG ARG 72 HG1 ARG 72 8.966 -2.845 -3.711 520 1HD ARG 72 HD2 ARG 72 11.339 -4.129 -3.942 521 2HD ARG 72 HD1 ARG 72 11.602 -2.754 -5.015 522 HE ARG 72 HE ARG 72 11.639 -1.372 -3.186 523 1HH1 ARG 72 HH11 ARG 72 10.358 -4.477 -2.243 524 2HH1 ARG 72 HH12 ARG 72 10.373 -4.110 -0.551 525 1HH2 ARG 72 HH21 ARG 72 11.659 -0.886 -0.961 526 2HH2 ARG 72 HH22 ARG 72 11.112 -2.071 0.177 527 H ASP 73 HN ASP 73 8.309 -2.540 -7.548 528 HA ASP 73 HA ASP 73 8.580 -4.016 -9.985 529 1HB ASP 73 HB2 ASP 73 7.607 -1.784 -10.004 530 2HB ASP 73 HB1 ASP 73 9.103 -1.103 -9.375 531 H ASN 74 HN ASN 74 10.773 -2.681 -7.625 532 HA ASN 74 HA ASN 74 13.028 -2.810 -7.368 533 1HB ASN 74 HB2 ASN 74 12.314 -5.225 -8.916 534 2HB ASN 74 HB1 ASN 74 14.015 -4.775 -8.956 535 1HD2 ASN 74 HD21 ASN 74 14.810 -4.084 -6.666 536 2HD2 ASN 74 HD22 ASN 74 14.421 -5.199 -5.405 537 H ALA 75 HN ALA 75 11.864 -1.129 -9.511 538 HA ALA 75 HA ALA 75 14.236 -0.937 -11.238 539 1HB ALA 75 HB1 ALA 75 12.976 -0.603 -13.077 540 2HB ALA 75 HB2 ALA 75 11.749 0.311 -12.199 541 3HB ALA 75 HB3 ALA 75 11.748 -1.452 -12.138 542 H LYS 76 HN LYS 76 11.551 1.007 -9.930 543 HA LYS 76 HA LYS 76 13.464 3.220 -9.567 544 1HB LYS 76 HB2 LYS 76 10.515 3.527 -10.144 545 2HB LYS 76 HB1 LYS 76 11.722 4.803 -10.066 546 1HG LYS 76 HG2 LYS 76 11.814 2.584 -12.090 547 2HG LYS 76 HG1 LYS 76 10.989 4.118 -12.370 548 1HD LYS 76 HD2 LYS 76 13.027 5.339 -12.162 549 2HD LYS 76 HD1 LYS 76 13.891 3.911 -11.587 550 1HE LYS 76 HE2 LYS 76 12.656 4.183 -14.324 551 2HE LYS 76 HE1 LYS 76 14.357 4.470 -13.961 552 1HZ LYS 76 HZ1 LYS 76 12.900 1.904 -13.623 553 2HZ LYS 76 HZ2 LYS 76 14.514 2.165 -13.188 554 3HZ LYS 76 HZ3 LYS 76 14.052 2.254 -14.813 555 H LYS 77 HN LYS 77 12.615 1.067 -7.718 556 HA LYS 77 HA LYS 77 12.072 0.807 -5.526 557 1HB LYS 77 HB2 LYS 77 12.318 3.814 -5.366 558 2HB LYS 77 HB1 LYS 77 12.449 2.672 -4.036 559 1HG LYS 77 HG2 LYS 77 14.335 2.687 -6.375 560 2HG LYS 77 HG1 LYS 77 14.614 3.611 -4.897 561 1HD LYS 77 HD2 LYS 77 14.617 1.582 -3.583 562 2HD LYS 77 HD1 LYS 77 14.202 0.624 -5.006 563 1HE LYS 77 HE2 LYS 77 16.454 0.290 -4.988 564 2HE LYS 77 HE1 LYS 77 16.396 1.762 -5.955 565 1HZ LYS 77 HZ1 LYS 77 16.793 1.758 -3.016 566 2HZ LYS 77 HZ2 LYS 77 16.982 3.061 -4.078 567 3HZ LYS 77 HZ3 LYS 77 18.069 1.766 -4.127 568 H THR 78 HN THR 78 9.915 0.657 -7.083 569 HA THR 78 HA THR 78 7.862 2.179 -5.616 570 HB THR 78 HB THR 78 7.843 1.295 -8.504 571 HG1 THR 78 HG1 THR 78 7.788 3.499 -8.907 572 1HG2 THR 78 HG21 THR 78 5.674 2.838 -7.116 573 2HG2 THR 78 HG22 THR 78 5.597 1.100 -7.409 574 3HG2 THR 78 HG23 THR 78 5.685 2.221 -8.768 575 H VAL 79 HN VAL 79 5.957 1.118 -5.075 576 HA VAL 79 HA VAL 79 6.060 -1.822 -5.284 577 HB VAL 79 HB VAL 79 4.781 -1.892 -3.163 578 1HG1 VAL 79 HG11 VAL 79 6.745 -1.338 -1.709 579 2HG1 VAL 79 HG12 VAL 79 7.530 -0.670 -3.140 580 3HG1 VAL 79 HG13 VAL 79 7.109 -2.381 -3.084 581 1HG2 VAL 79 HG21 VAL 79 3.888 -0.022 -2.363 582 2HG2 VAL 79 HG22 VAL 79 4.770 0.952 -3.538 583 3HG2 VAL 79 HG23 VAL 79 5.514 0.549 -1.992 584 H TYR 80 HN TYR 80 4.200 -2.905 -5.799 585 HA TYR 80 HA TYR 80 1.833 -1.260 -6.396 586 1HB TYR 80 HB2 TYR 80 2.865 -3.535 -8.093 587 2HB TYR 80 HB1 TYR 80 1.473 -2.520 -8.438 588 HD1 TYR 80 HD1 TYR 80 5.102 -2.045 -7.648 589 HD2 TYR 80 HD2 TYR 80 1.774 -0.952 -10.059 590 HE1 TYR 80 HE1 TYR 80 6.539 -0.523 -8.932 591 HE2 TYR 80 HE2 TYR 80 3.202 0.573 -11.349 592 HH TYR 80 HH TYR 80 5.681 0.765 -11.873 593 H LEU 81 HN LEU 81 -0.127 -2.139 -5.826 594 HA LEU 81 HA LEU 81 -0.109 -4.913 -4.879 595 1HB LEU 81 HB2 LEU 81 -0.954 -4.443 -2.823 596 2HB LEU 81 HB1 LEU 81 -0.016 -2.987 -3.081 597 HG LEU 81 HG LEU 81 -2.978 -3.177 -3.631 598 1HD1 LEU 81 HD11 LEU 81 -3.087 -3.361 -1.380 599 2HD1 LEU 81 HD12 LEU 81 -2.837 -1.617 -1.468 600 3HD1 LEU 81 HD13 LEU 81 -1.476 -2.688 -1.134 601 1HD2 LEU 81 HD21 LEU 81 -0.923 -1.149 -4.027 602 2HD2 LEU 81 HD22 LEU 81 -2.306 -0.567 -3.101 603 3HD2 LEU 81 HD23 LEU 81 -2.548 -1.265 -4.702 604 H GLN 82 HN GLN 82 -1.618 -6.103 -5.756 605 HA GLN 82 HA GLN 82 -3.786 -4.826 -7.228 606 1HB GLN 82 HB2 GLN 82 -2.112 -6.731 -8.014 607 2HB GLN 82 HB1 GLN 82 -3.336 -7.751 -7.281 608 1HG GLN 82 HG2 GLN 82 -5.011 -6.974 -8.761 609 2HG GLN 82 HG1 GLN 82 -3.974 -5.678 -9.352 610 1HE2 GLN 82 HE21 GLN 82 -4.628 -9.093 -9.431 611 2HE2 GLN 82 HE22 GLN 82 -3.675 -9.448 -10.828 612 H MET 83 HN MET 83 -5.408 -4.374 -5.806 613 HA MET 83 HA MET 83 -6.209 -6.300 -3.803 614 1HB MET 83 HB2 MET 83 -7.696 -3.784 -4.512 615 2HB MET 83 HB1 MET 83 -7.635 -4.623 -2.970 616 1HG MET 83 HG2 MET 83 -5.879 -3.476 -2.310 617 2HG MET 83 HG1 MET 83 -5.011 -3.793 -3.804 618 1HE MET 83 HE1 MET 83 -8.467 -1.084 -3.908 619 2HE MET 83 HE2 MET 83 -7.660 -0.551 -2.433 620 3HE MET 83 HE3 MET 83 -8.123 -2.242 -2.623 621 H ASN 84 HN ASN 84 -6.969 -8.070 -5.021 622 HA ASN 84 HA ASN 84 -9.037 -7.689 -6.983 623 1HB ASN 84 HB2 ASN 84 -8.712 -10.431 -6.067 624 2HB ASN 84 HB1 ASN 84 -8.524 -9.749 -7.671 625 1HD2 ASN 84 HD21 ASN 84 -6.495 -8.912 -8.293 626 2HD2 ASN 84 HD22 ASN 84 -5.046 -9.428 -7.506 627 H SER 85 HN SER 85 -10.956 -9.279 -6.803 628 HA SER 85 HA SER 85 -13.082 -9.269 -5.877 629 1HB SER 85 HB2 SER 85 -11.461 -11.297 -5.022 630 2HB SER 85 HB1 SER 85 -12.078 -10.668 -3.495 631 HG SER 85 HG SER 85 -13.456 -11.847 -5.630 632 H LEU 86 HN LEU 86 -12.128 -6.790 -5.290 633 HA LEU 86 HA LEU 86 -11.835 -5.981 -2.692 634 1HB LEU 86 HB2 LEU 86 -12.384 -4.749 -5.168 635 2HB LEU 86 HB1 LEU 86 -13.574 -4.131 -4.039 636 HG LEU 86 HG LEU 86 -11.409 -3.804 -2.519 637 1HD1 LEU 86 HD11 LEU 86 -9.613 -2.903 -4.098 638 2HD1 LEU 86 HD12 LEU 86 -10.403 -3.870 -5.344 639 3HD1 LEU 86 HD13 LEU 86 -9.735 -4.653 -3.911 640 1HD2 LEU 86 HD21 LEU 86 -11.940 -1.654 -2.760 641 2HD2 LEU 86 HD22 LEU 86 -13.113 -2.175 -3.970 642 3HD2 LEU 86 HD23 LEU 86 -11.502 -1.658 -4.468 643 H LYS 87 HN LYS 87 -13.332 -4.960 -1.204 644 HA LYS 87 HA LYS 87 -16.041 -6.114 -1.316 645 1HB LYS 87 HB2 LYS 87 -14.800 -5.687 1.351 646 2HB LYS 87 HB1 LYS 87 -15.930 -6.924 0.823 647 1HG LYS 87 HG2 LYS 87 -13.045 -6.901 -0.012 648 2HG LYS 87 HG1 LYS 87 -13.622 -7.713 1.444 649 1HD LYS 87 HD2 LYS 87 -14.918 -8.266 -1.194 650 2HD LYS 87 HD1 LYS 87 -13.395 -9.051 -0.777 651 1HE LYS 87 HE2 LYS 87 -14.348 -10.363 0.799 652 2HE LYS 87 HE1 LYS 87 -15.492 -9.117 1.295 653 1HZ LYS 87 HZ1 LYS 87 -15.872 -10.282 -1.351 654 2HZ LYS 87 HZ2 LYS 87 -17.020 -9.790 -0.211 655 3HZ LYS 87 HZ3 LYS 87 -16.227 -11.273 -0.026 656 HA PRO 88 HA PRO 88 -17.518 -2.109 -0.175 657 1HB PRO 88 HB2 PRO 88 -19.530 -2.532 1.535 658 2HB PRO 88 HB1 PRO 88 -19.604 -3.112 -0.134 659 1HG PRO 88 HG2 PRO 88 -18.961 -4.619 2.368 660 2HG PRO 88 HG1 PRO 88 -19.963 -5.112 0.991 661 1HD PRO 88 HD2 PRO 88 -17.343 -5.877 1.370 662 2HD PRO 88 HD1 PRO 88 -18.157 -5.838 -0.206 663 H GLU 89 HN GLU 89 -15.621 -3.665 1.943 664 HA GLU 89 HA GLU 89 -15.939 -1.665 4.070 665 1HB GLU 89 HB2 GLU 89 -16.146 -3.782 5.062 666 2HB GLU 89 HB1 GLU 89 -14.885 -4.480 4.057 667 1HG GLU 89 HG2 GLU 89 -13.197 -3.239 5.268 668 2HG GLU 89 HG1 GLU 89 -14.442 -2.461 6.244 669 H ASP 90 HN ASP 90 -14.061 -2.451 1.411 670 HA ASP 90 HA ASP 90 -11.515 -1.610 2.452 671 1HB ASP 90 HB2 ASP 90 -12.557 -2.431 -0.235 672 2HB ASP 90 HB1 ASP 90 -11.003 -1.617 -0.117 673 H THR 91 HN THR 91 -14.284 -0.072 1.108 674 HA THR 91 HA THR 91 -13.237 2.140 -0.164 675 HB THR 91 HB THR 91 -15.697 1.897 1.563 676 HG1 THR 91 HG1 THR 91 -16.265 0.675 -0.028 677 1HG2 THR 91 HG21 THR 91 -14.667 4.232 0.403 678 2HG2 THR 91 HG22 THR 91 -16.270 3.980 1.095 679 3HG2 THR 91 HG23 THR 91 -16.000 3.708 -0.627 680 H ALA 92 HN ALA 92 -11.543 3.227 0.694 681 HA ALA 92 HA ALA 92 -11.990 5.029 2.837 682 1HB ALA 92 HB1 ALA 92 -10.653 2.468 3.451 683 2HB ALA 92 HB2 ALA 92 -11.585 3.542 4.493 684 3HB ALA 92 HB3 ALA 92 -9.907 3.924 4.110 685 H VAL 93 HN VAL 93 -9.582 5.826 3.598 686 HA VAL 93 HA VAL 93 -8.377 6.740 1.121 687 HB VAL 93 HB VAL 93 -7.824 7.474 3.999 688 1HG1 VAL 93 HG11 VAL 93 -6.450 8.175 1.485 689 2HG1 VAL 93 HG12 VAL 93 -5.847 8.157 3.143 690 3HG1 VAL 93 HG13 VAL 93 -6.804 9.522 2.568 691 1HG2 VAL 93 HG21 VAL 93 -10.034 8.156 3.143 692 2HG2 VAL 93 HG22 VAL 93 -9.235 9.028 1.834 693 3HG2 VAL 93 HG23 VAL 93 -8.993 9.532 3.506 694 H TYR 94 HN TYR 94 -7.040 5.241 0.236 695 HA TYR 94 HA TYR 94 -5.343 3.590 1.873 696 1HB TYR 94 HB2 TYR 94 -6.131 3.759 -0.977 697 2HB TYR 94 HB1 TYR 94 -4.547 3.085 -0.646 698 HD1 TYR 94 HD1 TYR 94 -4.307 0.903 0.319 699 HD2 TYR 94 HD2 TYR 94 -8.159 2.668 -0.072 700 HE1 TYR 94 HE1 TYR 94 -5.348 -1.263 0.842 701 HE2 TYR 94 HE2 TYR 94 -9.209 0.508 0.450 702 HH TYR 94 HH TYR 94 -8.624 -1.901 0.334 703 H THR 95 HN THR 95 -3.655 4.631 2.782 704 HA THR 95 HA THR 95 -2.088 6.469 1.105 705 HB THR 95 HB THR 95 -1.948 6.135 4.102 706 HG1 THR 95 HG1 THR 95 -3.344 8.105 2.618 707 1HG2 THR 95 HG21 THR 95 -0.012 7.249 3.529 708 2HG2 THR 95 HG22 THR 95 -1.138 8.567 3.855 709 3HG2 THR 95 HG23 THR 95 -0.778 8.106 2.191 710 H CYS 96 HN CYS 96 -0.049 6.013 0.520 711 HA CYS 96 HA CYS 96 1.060 3.446 1.382 712 1HB CYS 96 HB2 CYS 96 0.862 3.988 -1.062 713 2HB CYS 96 HB1 CYS 96 2.046 5.268 -0.822 714 H GLY 97 HN GLY 97 2.912 3.256 2.544 715 1HA GLY 97 HA2 GLY 97 4.508 5.677 3.013 716 2HA GLY 97 HA1 GLY 97 3.860 4.803 4.393 717 H ALA 98 HN ALA 98 6.426 5.058 4.520 718 HA ALA 98 HA ALA 98 7.486 2.431 3.737 719 1HB ALA 98 HB1 ALA 98 9.198 3.285 2.601 720 2HB ALA 98 HB2 ALA 98 9.554 4.454 3.873 721 3HB ALA 98 HB3 ALA 98 8.344 4.827 2.646 722 H GLY 99 HN GLY 99 9.479 1.867 5.022 723 1HA GLY 99 HA2 GLY 99 9.141 2.833 7.795 724 2HA GLY 99 HA1 GLY 99 9.487 1.159 7.397 725 H GLU 100 HN GLU 100 11.237 1.552 8.974 726 HA GLU 100 HA GLU 100 13.718 1.785 7.703 727 1HB GLU 100 HB2 GLU 100 12.551 4.264 8.534 728 2HB GLU 100 HB1 GLU 100 13.992 3.954 9.492 729 1HG GLU 100 HG2 GLU 100 14.501 3.372 6.737 730 2HG GLU 100 HG1 GLU 100 13.838 4.997 6.902 731 H GLY 101 HN GLY 101 14.748 0.259 8.818 732 1HA GLY 101 HA2 GLY 101 15.620 -0.935 10.554 733 2HA GLY 101 HA1 GLY 101 15.470 0.532 11.507 734 H GLY 102 HN GLY 102 12.566 -0.662 10.120 735 1HA GLY 102 HA2 GLY 102 11.109 -2.329 11.102 736 2HA GLY 102 HA1 GLY 102 11.864 -1.997 12.653 737 H THR 103 HN THR 103 11.644 0.988 11.614 738 HA THR 103 HA THR 103 9.044 1.408 12.867 739 HB THR 103 HB THR 103 11.043 3.494 12.060 740 HG1 THR 103 HG1 THR 103 12.225 2.187 13.350 741 1HG2 THR 103 HG21 THR 103 8.668 3.461 13.793 742 2HG2 THR 103 HG22 THR 103 9.365 4.770 12.837 743 3HG2 THR 103 HG23 THR 103 10.068 4.346 14.399 744 H TRP 104 HN TRP 104 7.964 3.514 11.936 745 HA TRP 104 HA TRP 104 8.053 3.619 9.031 746 1HB TRP 104 HB2 TRP 104 5.527 2.995 10.571 747 2HB TRP 104 HB1 TRP 104 5.602 3.354 8.848 748 HD1 TRP 104 HD1 TRP 104 6.612 0.640 11.373 749 HE1 TRP 104 HE1 TRP 104 6.938 -1.574 10.096 750 HE3 TRP 104 HE3 TRP 104 6.102 2.379 6.594 751 HZ2 TRP 104 HZ2 TRP 104 6.976 -2.462 7.413 752 HZ3 TRP 104 HZ3 TRP 104 6.301 0.787 4.729 753 HH2 TRP 104 HH2 TRP 104 6.729 -1.584 5.132 754 H ASP 105 HN ASP 105 8.477 5.708 8.753 755 HA ASP 105 HA ASP 105 6.687 7.650 10.024 756 1HB ASP 105 HB2 ASP 105 8.757 7.688 11.279 757 2HB ASP 105 HB1 ASP 105 9.673 7.887 9.797 758 H SER 106 HN SER 106 7.358 6.353 7.216 759 HA SER 106 HA SER 106 7.397 8.902 5.741 760 1HB SER 106 HB2 SER 106 9.205 7.016 5.380 761 2HB SER 106 HB1 SER 106 7.941 6.287 4.391 762 HG SER 106 HG SER 106 9.149 7.604 3.074 763 H TRP 107 HN TRP 107 5.734 9.416 4.435 764 HA TRP 107 HA TRP 107 3.764 7.367 3.749 765 1HB TRP 107 HB2 TRP 107 2.924 10.020 4.915 766 2HB TRP 107 HB1 TRP 107 1.903 8.635 4.544 767 HD1 TRP 107 HD1 TRP 107 3.959 10.134 7.293 768 HE1 TRP 107 HE1 TRP 107 3.911 8.595 9.355 769 HE3 TRP 107 HE3 TRP 107 1.828 6.000 5.171 770 HZ2 TRP 107 HZ2 TRP 107 3.079 5.974 9.998 771 HZ3 TRP 107 HZ3 TRP 107 1.441 4.019 6.578 772 HH2 TRP 107 HH2 TRP 107 2.054 4.008 8.941 773 H GLY 108 HN GLY 108 2.160 8.184 2.145 774 1HA GLY 108 HA2 GLY 108 3.517 10.022 0.279 775 2HA GLY 108 HA1 GLY 108 2.414 8.740 -0.198 776 H GLN 109 HN GLN 109 1.158 10.212 -1.401 777 HA GLN 109 HA GLN 109 -0.111 12.425 -0.040 778 1HB GLN 109 HB2 GLN 109 0.109 11.463 -2.819 779 2HB GLN 109 HB1 GLN 109 -1.363 12.322 -2.407 780 1HG GLN 109 HG2 GLN 109 1.435 13.360 -2.052 781 2HG GLN 109 HG1 GLN 109 0.313 13.820 -3.331 782 1HE2 GLN 109 HE21 GLN 109 1.251 15.848 -1.996 783 2HE2 GLN 109 HE22 GLN 109 0.116 16.476 -0.855 784 H GLY 110 HN GLY 110 -0.901 9.181 -1.079 785 1HA GLY 110 HA2 GLY 110 -2.597 7.885 -0.061 786 2HA GLY 110 HA1 GLY 110 -3.402 9.365 0.433 787 H THR 111 HN THR 111 -4.640 7.120 -0.816 788 HA THR 111 HA THR 111 -5.831 8.501 -3.082 789 HB THR 111 HB THR 111 -4.011 7.089 -4.035 790 HG1 THR 111 HG1 THR 111 -5.802 7.477 -5.318 791 1HG2 THR 111 HG21 THR 111 -5.650 4.702 -3.261 792 2HG2 THR 111 HG22 THR 111 -4.250 5.235 -2.331 793 3HG2 THR 111 HG23 THR 111 -4.056 4.748 -4.014 794 H GLN 112 HN GLN 112 -7.908 8.555 -2.550 795 HA GLN 112 HA GLN 112 -9.097 6.744 -0.731 796 1HB GLN 112 HB2 GLN 112 -10.124 8.801 -0.686 797 2HB GLN 112 HB1 GLN 112 -10.061 8.997 -2.422 798 1HG GLN 112 HG2 GLN 112 -12.276 8.670 -2.230 799 2HG GLN 112 HG1 GLN 112 -11.806 6.975 -2.295 800 1HE2 GLN 112 HE21 GLN 112 -10.699 6.767 0.265 801 2HE2 GLN 112 HE22 GLN 112 -11.970 6.892 1.417 802 H VAL 113 HN VAL 113 -10.451 5.056 -1.020 803 HA VAL 113 HA VAL 113 -10.744 4.036 -3.767 804 HB VAL 113 HB VAL 113 -10.210 2.583 -1.187 805 1HG1 VAL 113 HG11 VAL 113 -11.639 1.017 -1.982 806 2HG1 VAL 113 HG12 VAL 113 -10.266 0.584 -3.000 807 3HG1 VAL 113 HG13 VAL 113 -11.544 1.618 -3.637 808 1HG2 VAL 113 HG21 VAL 113 -8.305 3.515 -2.515 809 2HG2 VAL 113 HG22 VAL 113 -8.763 2.426 -3.823 810 3HG2 VAL 113 HG23 VAL 113 -8.247 1.770 -2.270 811 H THR 114 HN THR 114 -12.757 3.412 -4.397 812 HA THR 114 HA THR 114 -14.889 3.495 -2.377 813 HB THR 114 HB THR 114 -14.907 4.467 -5.234 814 HG1 THR 114 HG1 THR 114 -15.463 6.434 -4.202 815 1HG2 THR 114 HG21 THR 114 -17.283 5.284 -4.190 816 2HG2 THR 114 HG22 THR 114 -17.149 3.645 -3.552 817 3HG2 THR 114 HG23 THR 114 -17.071 3.923 -5.292 818 H VAL 115 HN VAL 115 -16.352 1.852 -2.361 819 HA VAL 115 HA VAL 115 -16.280 -0.104 -4.536 820 HB VAL 115 HB VAL 115 -16.511 -1.087 -1.718 821 1HG1 VAL 115 HG11 VAL 115 -15.990 -2.207 -4.405 822 2HG1 VAL 115 HG12 VAL 115 -16.929 -2.861 -3.064 823 3HG1 VAL 115 HG13 VAL 115 -15.169 -2.975 -3.046 824 1HG2 VAL 115 HG21 VAL 115 -14.473 -0.161 -1.316 825 2HG2 VAL 115 HG22 VAL 115 -14.043 -0.093 -3.024 826 3HG2 VAL 115 HG23 VAL 115 -13.933 -1.619 -2.146 827 H SER 116 HN SER 116 -18.143 -1.661 -4.302 828 HA SER 116 HA SER 116 -20.485 -0.428 -3.044 829 1HB SER 116 HB2 SER 116 -20.079 -0.093 -5.689 830 2HB SER 116 HB1 SER 116 -20.930 -1.638 -5.715 831 HG SER 116 HG SER 116 -21.823 0.789 -4.548 832 H SER 117 HN SER 117 -22.416 -2.173 -3.927 833 HA SER 117 HA SER 117 -21.573 -4.898 -3.557 834 1HB SER 117 HB2 SER 117 -23.118 -3.471 -1.384 835 2HB SER 117 HB1 SER 117 -23.025 -5.227 -1.518 836 HG SER 117 HG SER 117 -20.653 -4.851 -1.497 Start of MODEL 20 1 1H GLN 1 HT1 GLN 1 9.999 9.884 5.635 2 2H GLN 1 HT2 GLN 1 10.919 10.044 7.075 3 3H GLN 1 HT3 GLN 1 11.577 9.221 5.719 4 HA GLN 1 HA GLN 1 11.063 12.082 6.079 5 1HB GLN 1 HB2 GLN 1 13.473 10.462 5.228 6 2HB GLN 1 HB1 GLN 1 13.436 12.207 5.444 7 1HG GLN 1 HG2 GLN 1 14.329 11.605 7.437 8 2HG GLN 1 HG1 GLN 1 12.619 11.536 7.861 9 1HE2 GLN 1 HE21 GLN 1 14.988 9.404 6.290 10 2HE2 GLN 1 HE22 GLN 1 14.594 8.001 7.218 11 H VAL 2 HN VAL 2 11.763 9.556 3.679 12 HA VAL 2 HA VAL 2 11.719 11.287 1.444 13 HB VAL 2 HB VAL 2 11.418 9.112 0.180 14 1HG1 VAL 2 HG11 VAL 2 13.601 9.751 0.174 15 2HG1 VAL 2 HG12 VAL 2 13.746 8.270 1.120 16 3HG1 VAL 2 HG13 VAL 2 13.691 9.834 1.934 17 1HG2 VAL 2 HG21 VAL 2 12.198 7.559 2.533 18 2HG2 VAL 2 HG22 VAL 2 11.114 7.142 1.206 19 3HG2 VAL 2 HG23 VAL 2 10.529 8.128 2.546 20 H GLN 3 HN GLN 3 10.128 11.354 -0.242 21 HA GLN 3 HA GLN 3 7.413 11.263 0.814 22 1HB GLN 3 HB2 GLN 3 6.830 12.508 -1.258 23 2HB GLN 3 HB1 GLN 3 8.047 13.316 -0.280 24 1HG GLN 3 HG2 GLN 3 9.754 12.835 -1.781 25 2HG GLN 3 HG1 GLN 3 8.836 11.546 -2.558 26 1HE2 GLN 3 HE21 GLN 3 8.265 14.974 -1.818 27 2HE2 GLN 3 HE22 GLN 3 7.776 15.413 -3.416 28 H LEU 4 HN LEU 4 5.655 10.453 -0.594 29 HA LEU 4 HA LEU 4 6.437 8.376 -2.486 30 1HB LEU 4 HB2 LEU 4 4.745 7.840 -0.044 31 2HB LEU 4 HB1 LEU 4 4.957 6.721 -1.377 32 HG LEU 4 HG LEU 4 7.540 7.132 -0.726 33 1HD1 LEU 4 HD11 LEU 4 5.917 7.805 1.674 34 2HD1 LEU 4 HD12 LEU 4 7.462 8.461 1.132 35 3HD1 LEU 4 HD13 LEU 4 7.396 6.869 1.889 36 1HD2 LEU 4 HD21 LEU 4 7.104 5.073 0.864 37 2HD2 LEU 4 HD22 LEU 4 6.922 4.938 -0.885 38 3HD2 LEU 4 HD23 LEU 4 5.499 5.148 0.136 39 H GLN 5 HN GLN 5 5.093 8.292 -4.179 40 HA GLN 5 HA GLN 5 2.468 9.609 -3.919 41 1HB GLN 5 HB2 GLN 5 2.668 10.211 -6.305 42 2HB GLN 5 HB1 GLN 5 3.944 10.924 -5.329 43 1HG GLN 5 HG2 GLN 5 4.419 8.332 -6.726 44 2HG GLN 5 HG1 GLN 5 4.498 9.847 -7.624 45 1HE2 GLN 5 HE21 GLN 5 5.950 11.513 -6.734 46 2HE2 GLN 5 HE22 GLN 5 7.427 11.001 -5.999 47 H GLU 6 HN GLU 6 0.758 8.778 -5.291 48 HA GLU 6 HA GLU 6 1.053 5.885 -5.749 49 1HB GLU 6 HB2 GLU 6 -1.616 7.222 -5.670 50 2HB GLU 6 HB1 GLU 6 -1.172 5.593 -5.190 51 1HG GLU 6 HG2 GLU 6 -1.580 6.554 -3.160 52 2HG GLU 6 HG1 GLU 6 0.157 6.814 -3.308 53 H SER 7 HN SER 7 -0.408 5.009 -7.497 54 HA SER 7 HA SER 7 -1.026 6.767 -9.691 55 1HB SER 7 HB2 SER 7 1.580 5.805 -9.598 56 2HB SER 7 HB1 SER 7 0.767 4.708 -10.713 57 HG SER 7 HG SER 7 -0.045 6.736 -11.716 58 H GLY 8 HN GLY 8 -2.667 5.958 -10.853 59 1HA GLY 8 HA2 GLY 8 -3.874 4.255 -11.963 60 2HA GLY 8 HA1 GLY 8 -3.066 3.060 -10.960 61 H GLY 9 HN GLY 9 -3.745 4.943 -8.598 62 1HA GLY 9 HA2 GLY 9 -5.861 3.540 -7.558 63 2HA GLY 9 HA1 GLY 9 -5.401 5.147 -7.035 64 H GLY 10 HN GLY 10 -8.004 3.671 -7.557 65 1HA GLY 10 HA2 GLY 10 -9.537 5.903 -8.305 66 2HA GLY 10 HA1 GLY 10 -9.367 4.849 -9.700 67 H LEU 11 HN LEU 11 -11.765 4.885 -9.359 68 HA LEU 11 HA LEU 11 -12.920 3.525 -7.197 69 1HB LEU 11 HB2 LEU 11 -14.077 3.944 -9.939 70 2HB LEU 11 HB1 LEU 11 -14.968 3.602 -8.464 71 HG LEU 11 HG LEU 11 -13.453 5.859 -7.874 72 1HD1 LEU 11 HD11 LEU 11 -14.264 5.808 -10.716 73 2HD1 LEU 11 HD12 LEU 11 -12.936 6.658 -9.928 74 3HD1 LEU 11 HD13 LEU 11 -14.576 7.298 -9.826 75 1HD2 LEU 11 HD21 LEU 11 -15.449 6.164 -6.934 76 2HD2 LEU 11 HD22 LEU 11 -16.233 5.073 -8.077 77 3HD2 LEU 11 HD23 LEU 11 -16.003 6.771 -8.495 78 H VAL 12 HN VAL 12 -13.991 1.468 -7.205 79 HA VAL 12 HA VAL 12 -13.396 -0.412 -9.320 80 HB VAL 12 HB VAL 12 -11.347 -0.543 -8.018 81 1HG1 VAL 12 HG11 VAL 12 -12.489 0.222 -5.875 82 2HG1 VAL 12 HG12 VAL 12 -11.252 -1.026 -5.720 83 3HG1 VAL 12 HG13 VAL 12 -12.960 -1.464 -5.657 84 1HG2 VAL 12 HG21 VAL 12 -11.215 -2.787 -8.178 85 2HG2 VAL 12 HG22 VAL 12 -12.839 -2.639 -8.849 86 3HG2 VAL 12 HG23 VAL 12 -12.622 -3.048 -7.147 87 H GLN 13 HN GLN 13 -15.307 -1.355 -9.621 88 HA GLN 13 HA GLN 13 -17.477 -1.335 -7.954 89 1HB GLN 13 HB2 GLN 13 -18.478 -2.813 -9.448 90 2HB GLN 13 HB1 GLN 13 -17.265 -2.014 -10.426 91 1HG GLN 13 HG2 GLN 13 -15.890 -4.172 -9.495 92 2HG GLN 13 HG1 GLN 13 -17.519 -4.823 -9.664 93 1HE2 GLN 13 HE21 GLN 13 -14.658 -4.107 -11.238 94 2HE2 GLN 13 HE22 GLN 13 -15.205 -4.278 -12.868 95 H ALA 14 HN ALA 14 -18.376 -2.717 -6.452 96 HA ALA 14 HA ALA 14 -16.769 -3.958 -4.614 97 1HB ALA 14 HB1 ALA 14 -19.112 -5.356 -4.353 98 2HB ALA 14 HB2 ALA 14 -19.629 -3.886 -5.181 99 3HB ALA 14 HB3 ALA 14 -18.773 -3.778 -3.642 100 H GLY 15 HN GLY 15 -15.546 -5.725 -4.659 101 1HA GLY 15 HA2 GLY 15 -15.113 -8.011 -4.954 102 2HA GLY 15 HA1 GLY 15 -16.488 -8.110 -6.043 103 H GLY 16 HN GLY 16 -14.380 -5.497 -6.668 104 1HA GLY 16 HA2 GLY 16 -13.265 -6.988 -8.957 105 2HA GLY 16 HA1 GLY 16 -13.571 -5.257 -8.945 106 H SER 17 HN SER 17 -11.125 -7.191 -9.207 107 HA SER 17 HA SER 17 -9.377 -6.456 -7.099 108 1HB SER 17 HB2 SER 17 -8.362 -7.275 -9.770 109 2HB SER 17 HB1 SER 17 -7.799 -7.749 -8.173 110 HG SER 17 HG SER 17 -9.591 -9.085 -7.977 111 H LEU 18 HN LEU 18 -8.258 -4.644 -6.813 112 HA LEU 18 HA LEU 18 -7.897 -2.851 -9.122 113 1HB LEU 18 HB2 LEU 18 -9.526 -1.970 -7.516 114 2HB LEU 18 HB1 LEU 18 -8.343 -2.111 -6.229 115 HG LEU 18 HG LEU 18 -6.958 -0.546 -7.902 116 1HD1 LEU 18 HD11 LEU 18 -9.199 -0.646 -9.328 117 2HD1 LEU 18 HD12 LEU 18 -8.183 0.794 -9.265 118 3HD1 LEU 18 HD13 LEU 18 -9.627 0.688 -8.257 119 1HD2 LEU 18 HD21 LEU 18 -7.270 0.039 -5.631 120 2HD2 LEU 18 HD22 LEU 18 -9.010 0.232 -5.845 121 3HD2 LEU 18 HD23 LEU 18 -7.897 1.390 -6.576 122 H ARG 19 HN ARG 19 -5.861 -2.223 -9.562 123 HA ARG 19 HA ARG 19 -3.775 -2.992 -7.636 124 1HB ARG 19 HB2 ARG 19 -3.815 -4.090 -9.919 125 2HB ARG 19 HB1 ARG 19 -3.392 -2.520 -10.586 126 1HG ARG 19 HG2 ARG 19 -1.382 -2.559 -9.049 127 2HG ARG 19 HG1 ARG 19 -1.767 -4.255 -8.753 128 1HD ARG 19 HD2 ARG 19 -1.789 -3.692 -11.577 129 2HD ARG 19 HD1 ARG 19 -0.261 -3.184 -10.859 130 HE ARG 19 HE ARG 19 -0.621 -5.663 -9.845 131 1HH1 ARG 19 HH11 ARG 19 -0.678 -4.384 -13.090 132 2HH1 ARG 19 HH12 ARG 19 -0.116 -5.853 -13.814 133 1HH2 ARG 19 HH21 ARG 19 0.116 -7.598 -10.793 134 2HH2 ARG 19 HH22 ARG 19 0.329 -7.681 -12.510 135 H LEU 20 HN LEU 20 -2.711 -1.434 -6.645 136 HA LEU 20 HA LEU 20 -2.649 1.245 -7.862 137 1HB LEU 20 HB2 LEU 20 -2.166 0.772 -4.949 138 2HB LEU 20 HB1 LEU 20 -2.748 2.216 -5.754 139 HG LEU 20 HG LEU 20 -4.346 -0.317 -5.385 140 1HD1 LEU 20 HD11 LEU 20 -4.576 0.431 -3.291 141 2HD1 LEU 20 HD12 LEU 20 -5.618 1.664 -4.002 142 3HD1 LEU 20 HD13 LEU 20 -3.920 2.020 -3.684 143 1HD2 LEU 20 HD21 LEU 20 -4.696 2.039 -7.035 144 2HD2 LEU 20 HD22 LEU 20 -6.047 1.791 -5.928 145 3HD2 LEU 20 HD23 LEU 20 -5.571 0.510 -7.043 146 H SER 21 HN SER 21 -0.712 2.253 -8.115 147 HA SER 21 HA SER 21 1.679 0.776 -7.223 148 1HB SER 21 HB2 SER 21 1.623 0.504 -9.574 149 2HB SER 21 HB1 SER 21 1.138 2.178 -9.838 150 HG SER 21 HG SER 21 3.160 2.725 -9.830 151 H CYS 22 HN CYS 22 2.830 1.872 -5.778 152 HA CYS 22 HA CYS 22 2.914 4.804 -6.041 153 1HB CYS 22 HB2 CYS 22 2.651 5.150 -3.743 154 2HB CYS 22 HB1 CYS 22 1.484 3.886 -4.106 155 H ALA 23 HN ALA 23 4.860 5.736 -5.974 156 HA ALA 23 HA ALA 23 7.167 3.999 -5.383 157 1HB ALA 23 HB1 ALA 23 8.249 4.768 -7.199 158 2HB ALA 23 HB2 ALA 23 7.638 6.410 -6.998 159 3HB ALA 23 HB3 ALA 23 6.626 5.179 -7.754 160 H ALA 24 HN ALA 24 9.183 5.376 -4.848 161 HA ALA 24 HA ALA 24 8.491 7.669 -3.157 162 1HB ALA 24 HB1 ALA 24 9.615 6.840 -1.257 163 2HB ALA 24 HB2 ALA 24 10.316 5.497 -2.161 164 3HB ALA 24 HB3 ALA 24 8.587 5.520 -1.814 165 H SER 25 HN SER 25 9.744 9.325 -3.673 166 HA SER 25 HA SER 25 12.145 8.926 -5.228 167 1HB SER 25 HB2 SER 25 10.766 10.757 -5.902 168 2HB SER 25 HB1 SER 25 10.706 11.400 -4.261 169 HG SER 25 HG SER 25 12.960 11.285 -5.979 170 H GLY 26 HN GLY 26 13.963 8.373 -4.225 171 1HA GLY 26 HA2 GLY 26 15.431 9.967 -2.563 172 2HA GLY 26 HA1 GLY 26 14.453 9.005 -1.466 173 H ARG 27 HN ARG 27 16.875 8.525 -0.939 174 HA ARG 27 HA ARG 27 17.798 6.274 -2.592 175 1HB ARG 27 HB2 ARG 27 19.412 8.107 -2.305 176 2HB ARG 27 HB1 ARG 27 19.319 7.915 -0.559 177 1HG ARG 27 HG2 ARG 27 20.012 5.432 -1.171 178 2HG ARG 27 HG1 ARG 27 20.687 6.242 -2.586 179 1HD ARG 27 HD2 ARG 27 21.222 7.279 0.173 180 2HD ARG 27 HD1 ARG 27 22.162 5.938 -0.480 181 HE ARG 27 HE ARG 27 22.325 8.707 -1.241 182 1HH1 ARG 27 HH11 ARG 27 22.924 5.419 -2.247 183 2HH1 ARG 27 HH12 ARG 27 24.139 5.861 -3.399 184 1HH2 ARG 27 HH21 ARG 27 23.922 9.290 -2.755 185 2HH2 ARG 27 HH22 ARG 27 24.706 8.058 -3.687 186 H THR 28 HN THR 28 18.026 4.266 -1.751 187 HA THR 28 HA THR 28 17.019 3.868 0.977 188 HB THR 28 HB THR 28 16.827 1.441 0.180 189 HG1 THR 28 HG1 THR 28 17.047 2.655 -2.368 190 1HG2 THR 28 HG21 THR 28 14.914 3.084 0.292 191 2HG2 THR 28 HG22 THR 28 14.729 1.732 -0.826 192 3HG2 THR 28 HG23 THR 28 15.155 3.331 -1.437 193 H GLY 29 HN GLY 29 17.980 1.568 1.807 194 1HA GLY 29 HA2 GLY 29 20.267 0.413 1.563 195 2HA GLY 29 HA1 GLY 29 20.876 2.025 1.892 196 H SER 30 HN SER 30 18.607 2.512 3.753 197 HA SER 30 HA SER 30 19.840 1.265 6.087 198 1HB SER 30 HB2 SER 30 19.356 3.785 5.863 199 2HB SER 30 HB1 SER 30 17.669 3.351 6.147 200 HG SER 30 HG SER 30 19.771 3.466 7.900 201 H THR 31 HN THR 31 18.200 -0.397 4.429 202 HA THR 31 HA THR 31 16.608 -2.010 4.664 203 HB THR 31 HB THR 31 15.970 -1.197 7.461 204 HG1 THR 31 HG1 THR 31 18.456 -2.287 6.648 205 1HG2 THR 31 HG21 THR 31 16.698 -3.888 6.344 206 2HG2 THR 31 HG22 THR 31 15.050 -3.267 6.432 207 3HG2 THR 31 HG23 THR 31 15.974 -3.528 7.911 208 H TYR 32 HN TYR 32 15.948 0.640 3.765 209 HA TYR 32 HA TYR 32 13.480 1.503 4.868 210 1HB TYR 32 HB2 TYR 32 14.618 3.163 3.691 211 2HB TYR 32 HB1 TYR 32 15.016 2.086 2.363 212 HD1 TYR 32 HD1 TYR 32 12.744 4.571 3.580 213 HD2 TYR 32 HD2 TYR 32 13.158 1.406 0.768 214 HE1 TYR 32 HE1 TYR 32 10.868 5.485 2.283 215 HE2 TYR 32 HE2 TYR 32 11.281 2.311 -0.537 216 HH TYR 32 HH TYR 32 9.238 4.797 0.665 217 H ASP 33 HN ASP 33 11.535 0.633 4.658 218 HA ASP 33 HA ASP 33 11.060 -1.258 2.452 219 1HB ASP 33 HB2 ASP 33 9.628 -1.072 5.112 220 2HB ASP 33 HB1 ASP 33 9.375 -2.302 3.877 221 H MET 34 HN MET 34 8.503 -1.441 2.117 222 HA MET 34 HA MET 34 7.214 1.162 2.185 223 1HB MET 34 HB2 MET 34 8.667 0.509 -0.056 224 2HB MET 34 HB1 MET 34 7.045 -0.010 -0.494 225 1HG MET 34 HG2 MET 34 6.378 2.357 0.400 226 2HG MET 34 HG1 MET 34 8.073 2.721 0.086 227 1HE MET 34 HE1 MET 34 8.936 2.125 -3.090 228 2HE MET 34 HE2 MET 34 9.065 3.208 -1.704 229 3HE MET 34 HE3 MET 34 8.284 3.761 -3.185 230 H GLY 35 HN GLY 35 5.090 0.960 2.544 231 1HA GLY 35 HA2 GLY 35 3.672 -1.406 1.589 232 2HA GLY 35 HA1 GLY 35 3.737 -1.181 3.329 233 H TRP 36 HN TRP 36 1.382 -1.245 1.669 234 HA TRP 36 HA TRP 36 0.449 1.469 1.452 235 1HB TRP 36 HB2 TRP 36 -0.857 -1.188 0.991 236 2HB TRP 36 HB1 TRP 36 -1.702 0.333 0.806 237 HD1 TRP 36 HD1 TRP 36 1.076 -1.757 -0.811 238 HE1 TRP 36 HE1 TRP 36 1.450 -0.903 -3.210 239 HE3 TRP 36 HE3 TRP 36 -1.964 2.353 -0.695 240 HZ2 TRP 36 HZ2 TRP 36 0.572 1.229 -4.838 241 HZ3 TRP 36 HZ3 TRP 36 -2.141 3.746 -2.715 242 HH2 TRP 36 HH2 TRP 36 -0.898 3.195 -4.743 243 H PHE 37 HN PHE 37 -1.419 2.278 2.524 244 HA PHE 37 HA PHE 37 -2.088 0.982 5.058 245 1HB PHE 37 HB2 PHE 37 -0.845 3.648 4.599 246 2HB PHE 37 HB1 PHE 37 -2.076 3.537 5.842 247 HD1 PHE 37 HD1 PHE 37 -1.362 3.127 7.984 248 HD2 PHE 37 HD2 PHE 37 0.961 1.683 4.722 249 HE1 PHE 37 HE1 PHE 37 0.327 2.286 9.562 250 HE2 PHE 37 HE2 PHE 37 2.650 0.834 6.294 251 HZ PHE 37 HZ PHE 37 2.335 1.136 8.718 252 H ARG 38 HN ARG 38 -3.882 2.560 6.115 253 HA ARG 38 HA ARG 38 -5.684 3.612 4.105 254 1HB ARG 38 HB2 ARG 38 -7.057 1.833 5.974 255 2HB ARG 38 HB1 ARG 38 -7.351 2.118 4.275 256 1HG ARG 38 HG2 ARG 38 -5.353 0.701 3.779 257 2HG ARG 38 HG1 ARG 38 -5.311 0.284 5.493 258 1HD ARG 38 HD2 ARG 38 -7.813 -0.068 3.884 259 2HD ARG 38 HD1 ARG 38 -6.542 -1.289 3.851 260 HE ARG 38 HE ARG 38 -6.956 -0.920 6.491 261 1HH1 ARG 38 HH11 ARG 38 -9.110 -1.579 3.827 262 2HH1 ARG 38 HH12 ARG 38 -10.253 -2.441 4.801 263 1HH2 ARG 38 HH21 ARG 38 -8.456 -2.051 7.776 264 2HH2 ARG 38 HH22 ARG 38 -9.880 -2.712 7.044 265 H GLN 39 HN GLN 39 -7.509 4.794 5.032 266 HA GLN 39 HA GLN 39 -7.409 5.381 7.865 267 1HB GLN 39 HB2 GLN 39 -5.862 6.939 6.171 268 2HB GLN 39 HB1 GLN 39 -7.329 7.886 6.374 269 1HG GLN 39 HG2 GLN 39 -5.633 6.807 8.614 270 2HG GLN 39 HG1 GLN 39 -5.594 8.461 8.007 271 1HE2 GLN 39 HE21 GLN 39 -6.109 7.877 10.654 272 2HE2 GLN 39 HE22 GLN 39 -7.746 8.291 11.019 273 H ALA 40 HN ALA 40 -9.491 5.127 8.344 274 HA ALA 40 HA ALA 40 -11.523 6.212 6.517 275 1HB ALA 40 HB1 ALA 40 -11.963 3.937 6.903 276 2HB ALA 40 HB2 ALA 40 -13.089 4.798 7.952 277 3HB ALA 40 HB3 ALA 40 -11.629 4.077 8.629 278 HA PRO 41 HA PRO 41 -12.570 9.423 9.340 279 1HB PRO 41 HB2 PRO 41 -15.252 9.666 8.960 280 2HB PRO 41 HB1 PRO 41 -14.061 10.211 7.773 281 1HG PRO 41 HG2 PRO 41 -15.658 7.680 7.830 282 2HG PRO 41 HG1 PRO 41 -15.295 8.743 6.459 283 1HD PRO 41 HD2 PRO 41 -13.952 6.433 6.910 284 2HD PRO 41 HD1 PRO 41 -13.190 7.851 6.161 285 H GLY 42 HN GLY 42 -13.071 9.695 11.419 286 1HA GLY 42 HA2 GLY 42 -14.003 9.280 13.497 287 2HA GLY 42 HA1 GLY 42 -15.045 8.074 12.752 288 H LYS 43 HN LYS 43 -12.190 7.170 11.608 289 HA LYS 43 HA LYS 43 -11.580 5.468 13.929 290 1HB LYS 43 HB2 LYS 43 -12.585 4.590 11.647 291 2HB LYS 43 HB1 LYS 43 -10.909 4.682 11.137 292 1HG LYS 43 HG2 LYS 43 -10.428 2.775 12.165 293 2HG LYS 43 HG1 LYS 43 -11.090 3.374 13.688 294 1HD LYS 43 HD2 LYS 43 -13.206 2.518 13.249 295 2HD LYS 43 HD1 LYS 43 -12.914 2.425 11.511 296 1HE LYS 43 HE2 LYS 43 -12.939 0.208 12.574 297 2HE LYS 43 HE1 LYS 43 -11.383 0.579 11.832 298 1HZ LYS 43 HZ1 LYS 43 -12.064 0.644 14.717 299 2HZ LYS 43 HZ2 LYS 43 -10.627 1.278 14.090 300 3HZ LYS 43 HZ3 LYS 43 -10.957 -0.374 13.941 301 H GLU 44 HN GLU 44 -9.261 4.416 13.425 302 HA GLU 44 HA GLU 44 -7.447 6.693 13.118 303 1HB GLU 44 HB2 GLU 44 -5.784 5.023 14.169 304 2HB GLU 44 HB1 GLU 44 -7.030 5.716 15.196 305 1HG GLU 44 HG2 GLU 44 -6.716 3.321 15.586 306 2HG GLU 44 HG1 GLU 44 -8.345 3.702 15.031 307 H ARG 45 HN ARG 45 -5.211 6.035 12.221 308 HA ARG 45 HA ARG 45 -5.674 4.933 9.605 309 1HB ARG 45 HB2 ARG 45 -3.755 5.971 8.974 310 2HB ARG 45 HB1 ARG 45 -4.048 6.886 10.443 311 1HG ARG 45 HG2 ARG 45 -2.281 4.453 10.371 312 2HG ARG 45 HG1 ARG 45 -1.690 6.084 10.065 313 1HD ARG 45 HD2 ARG 45 -3.246 6.140 12.440 314 2HD ARG 45 HD1 ARG 45 -2.116 4.792 12.554 315 HE ARG 45 HE ARG 45 -0.598 6.878 11.670 316 1HH1 ARG 45 HH11 ARG 45 -2.679 6.352 14.422 317 2HH1 ARG 45 HH12 ARG 45 -1.788 7.415 15.458 318 1HH2 ARG 45 HH21 ARG 45 0.575 8.279 13.031 319 2HH2 ARG 45 HH22 ARG 45 0.058 8.512 14.668 320 H GLU 46 HN GLU 46 -5.231 2.951 8.884 321 HA GLU 46 HA GLU 46 -3.597 1.180 10.575 322 1HB GLU 46 HB2 GLU 46 -5.120 -0.665 10.137 323 2HB GLU 46 HB1 GLU 46 -5.986 0.663 10.896 324 1HG GLU 46 HG2 GLU 46 -6.204 1.080 8.134 325 2HG GLU 46 HG1 GLU 46 -6.480 -0.641 8.395 326 H SER 47 HN SER 47 -2.302 -0.300 9.492 327 HA SER 47 HA SER 47 -1.676 0.388 6.781 328 1HB SER 47 HB2 SER 47 0.013 -0.188 8.592 329 2HB SER 47 HB1 SER 47 -0.473 -1.860 8.384 330 HG SER 47 HG SER 47 0.571 -1.948 6.554 331 H VAL 48 HN VAL 48 -1.104 -1.549 5.331 332 HA VAL 48 HA VAL 48 -3.261 -3.545 5.403 333 HB VAL 48 HB VAL 48 -2.372 -2.442 2.785 334 1HG1 VAL 48 HG11 VAL 48 -5.173 -3.156 3.295 335 2HG1 VAL 48 HG12 VAL 48 -4.016 -4.479 3.440 336 3HG1 VAL 48 HG13 VAL 48 -4.125 -3.564 1.937 337 1HG2 VAL 48 HG21 VAL 48 -3.033 -0.396 3.467 338 2HG2 VAL 48 HG22 VAL 48 -3.996 -1.038 4.798 339 3HG2 VAL 48 HG23 VAL 48 -4.640 -1.052 3.156 340 H ALA 49 HN ALA 49 -0.551 -2.802 3.214 341 HA ALA 49 HA ALA 49 0.659 -5.374 3.897 342 1HB ALA 49 HB1 ALA 49 -0.808 -5.753 1.943 343 2HB ALA 49 HB2 ALA 49 0.896 -6.039 1.591 344 3HB ALA 49 HB3 ALA 49 0.121 -4.550 1.048 345 H ALA 50 HN ALA 50 2.821 -5.322 3.984 346 HA ALA 50 HA ALA 50 4.195 -3.024 2.764 347 1HB ALA 50 HB1 ALA 50 4.399 -2.256 4.867 348 2HB ALA 50 HB2 ALA 50 5.710 -3.433 4.955 349 3HB ALA 50 HB3 ALA 50 4.112 -3.841 5.585 350 H ILE 51 HN ILE 51 6.219 -3.390 1.946 351 HA ILE 51 HA ILE 51 7.178 -6.175 2.029 352 HB ILE 51 HB ILE 51 6.218 -5.668 -0.167 353 1HG1 ILE 51 HG12 ILE 51 8.345 -6.099 -1.533 354 2HG1 ILE 51 HG11 ILE 51 9.207 -6.017 0.000 355 1HG2 ILE 51 HG21 ILE 51 7.346 -4.007 -1.629 356 2HG2 ILE 51 HG22 ILE 51 8.253 -3.450 -0.223 357 3HG2 ILE 51 HG23 ILE 51 6.497 -3.290 -0.260 358 1HD1 ILE 51 HD11 ILE 51 8.863 -8.236 -0.026 359 2HD1 ILE 51 HD12 ILE 51 7.456 -8.117 -1.083 360 3HD1 ILE 51 HD13 ILE 51 7.295 -7.786 0.642 361 H ASN 52 HN ASN 52 9.352 -6.511 2.223 362 HA ASN 52 HA ASN 52 10.882 -4.316 3.283 363 1HB ASN 52 HB2 ASN 52 10.858 -6.947 3.832 364 2HB ASN 52 HB1 ASN 52 12.242 -6.876 2.754 365 1HD2 ASN 52 HD21 ASN 52 10.882 -5.698 5.752 366 2HD2 ASN 52 HD22 ASN 52 12.379 -5.212 6.464 367 H TRP 53 HN TRP 53 13.462 -4.969 2.471 368 HA TRP 53 HA TRP 53 13.395 -4.125 -0.346 369 1HB TRP 53 HB2 TRP 53 14.436 -2.704 1.638 370 2HB TRP 53 HB1 TRP 53 15.820 -3.754 1.354 371 HD1 TRP 53 HD1 TRP 53 17.426 -3.032 -0.508 372 HE1 TRP 53 HE1 TRP 53 17.376 -1.284 -2.399 373 HE3 TRP 53 HE3 TRP 53 12.575 -1.491 -0.057 374 HZ2 TRP 53 HZ2 TRP 53 15.520 0.510 -3.546 375 HZ3 TRP 53 HZ3 TRP 53 11.739 0.244 -1.588 376 HH2 TRP 53 HH2 TRP 53 13.183 1.223 -3.296 377 H ASP 54 HN ASP 54 13.125 -6.605 -0.533 378 HA ASP 54 HA ASP 54 13.982 -8.578 -1.273 379 1HB ASP 54 HB2 ASP 54 16.163 -6.634 -1.838 380 2HB ASP 54 HB1 ASP 54 16.569 -8.345 -1.923 381 H SER 55 HN SER 55 13.703 -8.679 1.302 382 HA SER 55 HA SER 55 16.225 -9.800 2.335 383 1HB SER 55 HB2 SER 55 14.096 -8.240 3.806 384 2HB SER 55 HB1 SER 55 15.341 -9.181 4.627 385 HG SER 55 HG SER 55 15.567 -6.733 3.865 386 H ALA 56 HN ALA 56 12.819 -9.845 3.393 387 HA ALA 56 HA ALA 56 12.993 -12.778 3.464 388 1HB ALA 56 HB1 ALA 56 11.356 -10.950 5.212 389 2HB ALA 56 HB2 ALA 56 12.807 -11.834 5.687 390 3HB ALA 56 HB3 ALA 56 11.335 -12.713 5.273 391 H ARG 57 HN ARG 57 10.294 -10.460 3.590 392 HA ARG 57 HA ARG 57 9.272 -11.088 1.032 393 1HB ARG 57 HB2 ARG 57 8.867 -13.158 2.743 394 2HB ARG 57 HB1 ARG 57 7.405 -12.223 3.023 395 1HG ARG 57 HG2 ARG 57 7.078 -12.232 0.514 396 2HG ARG 57 HG1 ARG 57 8.364 -13.439 0.450 397 1HD ARG 57 HD2 ARG 57 6.276 -13.996 2.430 398 2HD ARG 57 HD1 ARG 57 5.707 -13.985 0.762 399 HE ARG 57 HE ARG 57 7.522 -15.886 1.980 400 1HH1 ARG 57 HH11 ARG 57 6.205 -14.604 -0.990 401 2HH1 ARG 57 HH12 ARG 57 6.579 -16.021 -1.911 402 1HH2 ARG 57 HH21 ARG 57 8.012 -17.748 0.767 403 2HH2 ARG 57 HH22 ARG 57 7.601 -17.806 -0.915 404 H THR 58 HN THR 58 6.449 -10.889 1.844 405 HA THR 58 HA THR 58 6.442 -8.029 2.460 406 HB THR 58 HB THR 58 3.864 -9.159 1.736 407 HG1 THR 58 HG1 THR 58 5.926 -9.403 -0.190 408 1HG2 THR 58 HG21 THR 58 5.405 -6.815 1.207 409 2HG2 THR 58 HG22 THR 58 3.679 -7.097 0.978 410 3HG2 THR 58 HG23 THR 58 4.817 -7.502 -0.307 411 H TYR 59 HN TYR 59 4.167 -7.434 3.524 412 HA TYR 59 HA TYR 59 3.648 -9.214 5.791 413 1HB TYR 59 HB2 TYR 59 5.214 -7.666 6.697 414 2HB TYR 59 HB1 TYR 59 4.431 -6.303 5.915 415 HD1 TYR 59 HD1 TYR 59 2.458 -5.287 6.857 416 HD2 TYR 59 HD2 TYR 59 4.248 -8.665 8.723 417 HE1 TYR 59 HE1 TYR 59 1.117 -4.873 8.874 418 HE2 TYR 59 HE2 TYR 59 2.911 -8.261 10.747 419 HH TYR 59 HH TYR 59 0.308 -6.692 10.951 420 H TYR 60 HN TYR 60 1.588 -9.736 5.149 421 HA TYR 60 HA TYR 60 -0.258 -7.750 4.211 422 1HB TYR 60 HB2 TYR 60 -0.623 -10.650 4.976 423 2HB TYR 60 HB1 TYR 60 -1.875 -9.644 4.269 424 HD1 TYR 60 HD1 TYR 60 1.073 -11.631 3.629 425 HD2 TYR 60 HD2 TYR 60 -1.606 -8.791 1.939 426 HE1 TYR 60 HE1 TYR 60 1.878 -12.217 1.382 427 HE2 TYR 60 HE2 TYR 60 -0.809 -9.370 -0.313 428 HH TYR 60 HH TYR 60 1.176 -12.103 -0.915 429 H ALA 61 HN ALA 61 -2.271 -7.224 5.254 430 HA ALA 61 HA ALA 61 -2.072 -7.314 8.194 431 1HB ALA 61 HB1 ALA 61 -3.460 -5.243 6.497 432 2HB ALA 61 HB2 ALA 61 -1.863 -5.061 7.225 433 3HB ALA 61 HB3 ALA 61 -3.288 -5.220 8.252 434 H SER 62 HN SER 62 -4.370 -6.873 9.189 435 HA SER 62 HA SER 62 -5.956 -9.129 8.532 436 1HB SER 62 HB2 SER 62 -7.188 -7.004 10.186 437 2HB SER 62 HB1 SER 62 -7.026 -8.730 10.505 438 HG SER 62 HG SER 62 -5.622 -6.831 11.573 439 H SER 63 HN SER 63 -8.112 -9.184 7.795 440 HA SER 63 HA SER 63 -9.971 -8.509 6.632 441 1HB SER 63 HB2 SER 63 -8.801 -5.768 6.209 442 2HB SER 63 HB1 SER 63 -10.497 -6.249 6.263 443 HG SER 63 HG SER 63 -10.461 -5.886 8.321 444 H VAL 64 HN VAL 64 -6.778 -8.474 5.650 445 HA VAL 64 HA VAL 64 -7.541 -9.030 2.910 446 HB VAL 64 HB VAL 64 -5.876 -7.504 1.943 447 1HG1 VAL 64 HG11 VAL 64 -8.199 -6.795 2.055 448 2HG1 VAL 64 HG12 VAL 64 -7.121 -5.416 2.272 449 3HG1 VAL 64 HG13 VAL 64 -7.934 -6.126 3.665 450 1HG2 VAL 64 HG21 VAL 64 -4.360 -6.415 3.155 451 2HG2 VAL 64 HG22 VAL 64 -4.934 -7.312 4.561 452 3HG2 VAL 64 HG23 VAL 64 -5.602 -5.721 4.198 453 H ARG 65 HN ARG 65 -6.084 -10.154 5.461 454 HA ARG 65 HA ARG 65 -3.470 -10.757 4.570 455 1HB ARG 65 HB2 ARG 65 -3.733 -10.757 6.890 456 2HB ARG 65 HB1 ARG 65 -5.222 -11.682 6.815 457 1HG ARG 65 HG2 ARG 65 -4.135 -13.681 6.593 458 2HG ARG 65 HG1 ARG 65 -2.683 -12.942 5.917 459 1HD ARG 65 HD2 ARG 65 -2.826 -11.822 8.421 460 2HD ARG 65 HD1 ARG 65 -3.407 -13.463 8.700 461 HE ARG 65 HE ARG 65 -0.732 -12.673 8.180 462 1HH1 ARG 65 HH11 ARG 65 -3.021 -15.238 7.582 463 2HH1 ARG 65 HH12 ARG 65 -1.801 -16.455 7.405 464 1HH2 ARG 65 HH21 ARG 65 0.874 -14.273 7.948 465 2HH2 ARG 65 HH22 ARG 65 0.409 -15.907 7.614 466 H GLY 66 HN GLY 66 -3.949 -11.491 2.502 467 1HA GLY 66 HA2 GLY 66 -3.553 -13.644 1.389 468 2HA GLY 66 HA1 GLY 66 -4.823 -14.301 2.412 469 H ARG 67 HN ARG 67 -5.632 -11.200 1.491 470 HA ARG 67 HA ARG 67 -7.330 -12.241 -0.684 471 1HB ARG 67 HB2 ARG 67 -7.863 -9.744 0.917 472 2HB ARG 67 HB1 ARG 67 -8.982 -10.637 -0.104 473 1HG ARG 67 HG2 ARG 67 -8.504 -12.570 1.602 474 2HG ARG 67 HG1 ARG 67 -8.040 -11.232 2.655 475 1HD ARG 67 HD2 ARG 67 -10.698 -11.689 1.316 476 2HD ARG 67 HD1 ARG 67 -10.345 -11.704 3.044 477 HE ARG 67 HE ARG 67 -9.743 -9.200 1.767 478 1HH1 ARG 67 HH11 ARG 67 -12.242 -11.105 3.285 479 2HH1 ARG 67 HH12 ARG 67 -13.193 -9.729 3.733 480 1HH2 ARG 67 HH21 ARG 67 -10.992 -7.389 2.355 481 2HH2 ARG 67 HH22 ARG 67 -12.484 -7.619 3.205 482 H PHE 68 HN PHE 68 -5.453 -9.407 0.347 483 HA PHE 68 HA PHE 68 -5.571 -8.316 -2.352 484 1HB PHE 68 HB2 PHE 68 -4.506 -7.238 0.256 485 2HB PHE 68 HB1 PHE 68 -4.266 -6.412 -1.277 486 HD1 PHE 68 HD1 PHE 68 -5.412 -4.564 0.108 487 HD2 PHE 68 HD2 PHE 68 -7.396 -8.091 -1.218 488 HE1 PHE 68 HE1 PHE 68 -7.584 -3.442 0.378 489 HE2 PHE 68 HE2 PHE 68 -9.570 -6.973 -0.951 490 HZ PHE 68 HZ PHE 68 -9.667 -4.645 -0.153 491 H THR 69 HN THR 69 -3.721 -7.851 -3.595 492 HA THR 69 HA THR 69 -1.395 -9.530 -2.929 493 HB THR 69 HB THR 69 -2.152 -8.456 -5.651 494 HG1 THR 69 HG1 THR 69 -3.749 -9.895 -4.804 495 1HG2 THR 69 HG21 THR 69 -0.061 -10.303 -4.660 496 2HG2 THR 69 HG22 THR 69 -0.014 -9.131 -5.977 497 3HG2 THR 69 HG23 THR 69 -0.834 -10.676 -6.201 498 H ILE 70 HN ILE 70 0.709 -8.758 -3.443 499 HA ILE 70 HA ILE 70 1.114 -5.955 -3.992 500 HB ILE 70 HB ILE 70 0.526 -5.979 -1.614 501 1HG1 ILE 70 HG12 ILE 70 2.081 -4.286 -2.566 502 2HG1 ILE 70 HG11 ILE 70 2.326 -4.580 -0.849 503 1HG2 ILE 70 HG21 ILE 70 1.402 -8.239 -1.143 504 2HG2 ILE 70 HG22 ILE 70 1.923 -7.026 0.032 505 3HG2 ILE 70 HG23 ILE 70 3.040 -7.581 -1.215 506 1HD1 ILE 70 HD11 ILE 70 4.121 -4.971 -3.098 507 2HD1 ILE 70 HD12 ILE 70 4.067 -6.338 -1.987 508 3HD1 ILE 70 HD13 ILE 70 4.476 -4.730 -1.388 509 H SER 71 HN SER 71 3.064 -5.580 -4.867 510 HA SER 71 HA SER 71 5.294 -7.361 -4.399 511 1HB SER 71 HB2 SER 71 5.512 -7.566 -7.021 512 2HB SER 71 HB1 SER 71 4.512 -8.701 -6.115 513 HG SER 71 HG SER 71 3.593 -7.606 -8.072 514 H ARG 72 HN ARG 72 7.222 -6.645 -5.794 515 HA ARG 72 HA ARG 72 7.187 -3.703 -5.970 516 1HB ARG 72 HB2 ARG 72 9.479 -5.562 -5.309 517 2HB ARG 72 HB1 ARG 72 9.628 -3.822 -5.512 518 1HG ARG 72 HG2 ARG 72 7.937 -3.593 -3.647 519 2HG ARG 72 HG1 ARG 72 8.170 -5.317 -3.357 520 1HD ARG 72 HD2 ARG 72 9.625 -4.202 -1.869 521 2HD ARG 72 HD1 ARG 72 10.640 -4.823 -3.168 522 HE ARG 72 HE ARG 72 10.007 -2.034 -2.617 523 1HH1 ARG 72 HH11 ARG 72 11.514 -4.360 -4.747 524 2HH1 ARG 72 HH12 ARG 72 12.493 -3.176 -5.544 525 1HH2 ARG 72 HH21 ARG 72 11.290 -0.483 -3.672 526 2HH2 ARG 72 HH22 ARG 72 12.364 -0.977 -4.938 527 H ASP 73 HN ASP 73 8.197 -2.690 -7.706 528 HA ASP 73 HA ASP 73 8.421 -4.343 -10.090 529 1HB ASP 73 HB2 ASP 73 7.098 -2.290 -10.213 530 2HB ASP 73 HB1 ASP 73 8.507 -1.340 -9.760 531 H ASN 74 HN ASN 74 10.493 -3.109 -7.739 532 HA ASN 74 HA ASN 74 12.736 -2.694 -7.618 533 1HB ASN 74 HB2 ASN 74 14.120 -4.498 -8.606 534 2HB ASN 74 HB1 ASN 74 12.730 -5.114 -7.718 535 1HD2 ASN 74 HD21 ASN 74 11.128 -6.189 -8.794 536 2HD2 ASN 74 HD22 ASN 74 11.252 -6.661 -10.451 537 H ALA 75 HN ALA 75 11.368 -1.166 -9.683 538 HA ALA 75 HA ALA 75 13.512 -0.875 -11.668 539 1HB ALA 75 HB1 ALA 75 11.885 0.260 -13.078 540 2HB ALA 75 HB2 ALA 75 10.665 0.108 -11.814 541 3HB ALA 75 HB3 ALA 75 11.296 -1.335 -12.608 542 H LYS 76 HN LYS 76 11.108 1.234 -10.092 543 HA LYS 76 HA LYS 76 13.267 3.152 -9.536 544 1HB LYS 76 HB2 LYS 76 11.893 3.852 -11.512 545 2HB LYS 76 HB1 LYS 76 10.489 3.910 -10.455 546 1HG LYS 76 HG2 LYS 76 11.029 6.067 -10.229 547 2HG LYS 76 HG1 LYS 76 12.232 5.471 -9.085 548 1HD LYS 76 HD2 LYS 76 13.163 5.359 -11.838 549 2HD LYS 76 HD1 LYS 76 12.725 6.994 -11.341 550 1HE LYS 76 HE2 LYS 76 14.804 7.063 -10.499 551 2HE LYS 76 HE1 LYS 76 14.116 6.130 -9.171 552 1HZ LYS 76 HZ1 LYS 76 14.724 4.118 -10.619 553 2HZ LYS 76 HZ2 LYS 76 15.965 4.912 -9.788 554 3HZ LYS 76 HZ3 LYS 76 15.744 5.188 -11.442 555 H LYS 77 HN LYS 77 12.256 1.225 -7.758 556 HA LYS 77 HA LYS 77 11.550 1.019 -5.607 557 1HB LYS 77 HB2 LYS 77 11.566 4.044 -5.621 558 2HB LYS 77 HB1 LYS 77 11.520 3.018 -4.194 559 1HG LYS 77 HG2 LYS 77 13.728 2.960 -4.152 560 2HG LYS 77 HG1 LYS 77 13.752 2.233 -5.759 561 1HD LYS 77 HD2 LYS 77 13.257 4.839 -6.359 562 2HD LYS 77 HD1 LYS 77 14.273 5.002 -4.926 563 1HE LYS 77 HE2 LYS 77 15.100 3.117 -7.081 564 2HE LYS 77 HE1 LYS 77 15.331 4.847 -7.327 565 1HZ LYS 77 HZ1 LYS 77 16.382 4.659 -4.947 566 2HZ LYS 77 HZ2 LYS 77 17.289 4.308 -6.331 567 3HZ LYS 77 HZ3 LYS 77 16.628 3.051 -5.413 568 H THR 78 HN THR 78 9.590 0.577 -7.342 569 HA THR 78 HA THR 78 7.271 2.052 -6.275 570 HB THR 78 HB THR 78 7.519 0.629 -8.929 571 HG1 THR 78 HG1 THR 78 7.223 3.402 -8.480 572 1HG2 THR 78 HG21 THR 78 5.216 0.620 -8.021 573 2HG2 THR 78 HG22 THR 78 5.389 1.551 -9.509 574 3HG2 THR 78 HG23 THR 78 5.277 2.383 -7.959 575 H VAL 79 HN VAL 79 5.500 0.944 -5.584 576 HA VAL 79 HA VAL 79 5.741 -1.987 -5.436 577 HB VAL 79 HB VAL 79 4.629 -1.950 -3.275 578 1HG1 VAL 79 HG11 VAL 79 6.455 -1.214 -1.951 579 2HG1 VAL 79 HG12 VAL 79 6.956 -0.047 -3.175 580 3HG1 VAL 79 HG13 VAL 79 7.128 -1.775 -3.481 581 1HG2 VAL 79 HG21 VAL 79 4.727 0.537 -2.236 582 2HG2 VAL 79 HG22 VAL 79 3.285 -0.163 -2.970 583 3HG2 VAL 79 HG23 VAL 79 4.321 0.910 -3.912 584 H TYR 80 HN TYR 80 4.029 -3.121 -6.132 585 HA TYR 80 HA TYR 80 1.593 -1.615 -6.818 586 1HB TYR 80 HB2 TYR 80 2.762 -4.057 -8.157 587 2HB TYR 80 HB1 TYR 80 1.245 -3.292 -8.604 588 HD1 TYR 80 HD1 TYR 80 4.793 -2.247 -8.037 589 HD2 TYR 80 HD2 TYR 80 1.314 -1.990 -10.468 590 HE1 TYR 80 HE1 TYR 80 6.001 -0.794 -9.605 591 HE2 TYR 80 HE2 TYR 80 2.512 -0.535 -12.042 592 HH TYR 80 HH TYR 80 5.625 0.784 -11.318 593 H LEU 81 HN LEU 81 -0.126 -2.119 -5.627 594 HA LEU 81 HA LEU 81 -0.275 -4.826 -4.502 595 1HB LEU 81 HB2 LEU 81 -0.763 -4.005 -2.488 596 2HB LEU 81 HB1 LEU 81 -0.193 -2.471 -3.103 597 HG LEU 81 HG LEU 81 -3.091 -3.262 -3.307 598 1HD1 LEU 81 HD11 LEU 81 -1.595 -2.117 -0.982 599 2HD1 LEU 81 HD12 LEU 81 -2.798 -3.406 -1.009 600 3HD1 LEU 81 HD13 LEU 81 -3.295 -1.732 -1.251 601 1HD2 LEU 81 HD21 LEU 81 -2.069 -0.490 -2.985 602 2HD2 LEU 81 HD22 LEU 81 -3.483 -1.083 -3.855 603 3HD2 LEU 81 HD23 LEU 81 -1.875 -1.283 -4.549 604 H GLN 82 HN GLN 82 -1.714 -6.041 -5.458 605 HA GLN 82 HA GLN 82 -3.953 -4.824 -6.865 606 1HB GLN 82 HB2 GLN 82 -2.252 -6.735 -7.647 607 2HB GLN 82 HB1 GLN 82 -3.494 -7.739 -6.923 608 1HG GLN 82 HG2 GLN 82 -4.887 -5.920 -8.496 609 2HG GLN 82 HG1 GLN 82 -3.479 -6.370 -9.456 610 1HE2 GLN 82 HE21 GLN 82 -3.157 -8.992 -8.569 611 2HE2 GLN 82 HE22 GLN 82 -4.491 -9.934 -9.134 612 H MET 83 HN MET 83 -5.374 -4.321 -5.213 613 HA MET 83 HA MET 83 -6.088 -6.180 -3.173 614 1HB MET 83 HB2 MET 83 -7.709 -3.788 -4.025 615 2HB MET 83 HB1 MET 83 -7.642 -4.543 -2.441 616 1HG MET 83 HG2 MET 83 -5.934 -3.299 -1.814 617 2HG MET 83 HG1 MET 83 -5.037 -3.649 -3.288 618 1HE MET 83 HE1 MET 83 -8.300 -0.403 -3.162 619 2HE MET 83 HE2 MET 83 -8.207 -1.794 -2.081 620 3HE MET 83 HE3 MET 83 -8.610 -2.024 -3.783 621 H ASN 84 HN ASN 84 -6.794 -8.079 -4.133 622 HA ASN 84 HA ASN 84 -8.970 -8.011 -6.033 623 1HB ASN 84 HB2 ASN 84 -8.300 -10.643 -4.975 624 2HB ASN 84 HB1 ASN 84 -8.294 -10.056 -6.627 625 1HD2 ASN 84 HD21 ASN 84 -6.412 -8.985 -7.413 626 2HD2 ASN 84 HD22 ASN 84 -4.867 -9.321 -6.718 627 H SER 85 HN SER 85 -10.695 -9.808 -5.599 628 HA SER 85 HA SER 85 -12.726 -10.009 -4.519 629 1HB SER 85 HB2 SER 85 -10.897 -11.729 -3.621 630 2HB SER 85 HB1 SER 85 -11.236 -10.899 -2.103 631 HG SER 85 HG SER 85 -12.762 -12.681 -3.490 632 H LEU 86 HN LEU 86 -12.119 -7.368 -4.338 633 HA LEU 86 HA LEU 86 -11.968 -6.341 -1.719 634 1HB LEU 86 HB2 LEU 86 -12.088 -5.308 -4.342 635 2HB LEU 86 HB1 LEU 86 -13.413 -4.570 -3.461 636 HG LEU 86 HG LEU 86 -11.524 -4.140 -1.656 637 1HD1 LEU 86 HD11 LEU 86 -9.784 -5.342 -2.871 638 2HD1 LEU 86 HD12 LEU 86 -9.385 -3.632 -2.713 639 3HD1 LEU 86 HD13 LEU 86 -9.988 -4.258 -4.247 640 1HD2 LEU 86 HD21 LEU 86 -12.387 -2.630 -4.051 641 2HD2 LEU 86 HD22 LEU 86 -10.982 -2.018 -3.177 642 3HD2 LEU 86 HD23 LEU 86 -12.521 -2.222 -2.340 643 H LYS 87 HN LYS 87 -13.645 -5.181 -0.561 644 HA LYS 87 HA LYS 87 -16.272 -6.471 -0.885 645 1HB LYS 87 HB2 LYS 87 -14.609 -5.850 1.475 646 2HB LYS 87 HB1 LYS 87 -16.325 -5.513 1.657 647 1HG LYS 87 HG2 LYS 87 -16.296 -7.665 2.372 648 2HG LYS 87 HG1 LYS 87 -16.540 -7.948 0.647 649 1HD LYS 87 HD2 LYS 87 -13.853 -7.861 0.724 650 2HD LYS 87 HD1 LYS 87 -14.181 -8.475 2.346 651 1HE LYS 87 HE2 LYS 87 -15.404 -9.673 -0.127 652 2HE LYS 87 HE1 LYS 87 -13.854 -10.206 0.521 653 1HZ LYS 87 HZ1 LYS 87 -16.127 -11.322 1.220 654 2HZ LYS 87 HZ2 LYS 87 -16.107 -10.086 2.374 655 3HZ LYS 87 HZ3 LYS 87 -14.828 -11.190 2.297 656 HA PRO 88 HA PRO 88 -18.158 -2.512 -1.329 657 1HB PRO 88 HB2 PRO 88 -20.522 -2.772 -0.092 658 2HB PRO 88 HB1 PRO 88 -20.126 -3.712 -1.537 659 1HG PRO 88 HG2 PRO 88 -20.049 -4.537 1.340 660 2HG PRO 88 HG1 PRO 88 -20.657 -5.432 -0.065 661 1HD PRO 88 HD2 PRO 88 -18.186 -5.836 1.052 662 2HD PRO 88 HD1 PRO 88 -18.569 -6.169 -0.649 663 H GLU 89 HN GLU 89 -16.713 -3.204 1.465 664 HA GLU 89 HA GLU 89 -17.546 -0.671 2.693 665 1HB GLU 89 HB2 GLU 89 -17.017 -3.278 4.125 666 2HB GLU 89 HB1 GLU 89 -17.215 -1.726 4.929 667 1HG GLU 89 HG2 GLU 89 -19.431 -1.827 4.803 668 2HG GLU 89 HG1 GLU 89 -19.397 -2.315 3.109 669 H ASP 90 HN ASP 90 -15.129 -1.950 1.092 670 HA ASP 90 HA ASP 90 -12.964 -1.396 2.937 671 1HB ASP 90 HB2 ASP 90 -13.119 -2.426 0.120 672 2HB ASP 90 HB1 ASP 90 -11.593 -1.867 0.785 673 H THR 91 HN THR 91 -14.942 0.462 1.015 674 HA THR 91 HA THR 91 -13.276 2.230 -0.308 675 HB THR 91 HB THR 91 -15.901 2.743 1.086 676 HG1 THR 91 HG1 THR 91 -16.079 1.138 -0.457 677 1HG2 THR 91 HG21 THR 91 -14.214 4.538 -0.407 678 2HG2 THR 91 HG22 THR 91 -15.710 4.863 0.469 679 3HG2 THR 91 HG23 THR 91 -15.770 4.308 -1.204 680 H ALA 92 HN ALA 92 -11.687 3.480 0.441 681 HA ALA 92 HA ALA 92 -12.033 5.245 2.639 682 1HB ALA 92 HB1 ALA 92 -9.882 3.949 3.740 683 2HB ALA 92 HB2 ALA 92 -10.903 2.615 3.206 684 3HB ALA 92 HB3 ALA 92 -11.549 3.835 4.304 685 H VAL 93 HN VAL 93 -9.532 5.865 3.392 686 HA VAL 93 HA VAL 93 -8.343 6.823 0.905 687 HB VAL 93 HB VAL 93 -7.807 7.553 3.786 688 1HG1 VAL 93 HG11 VAL 93 -5.817 8.233 2.975 689 2HG1 VAL 93 HG12 VAL 93 -6.751 9.583 2.330 690 3HG1 VAL 93 HG13 VAL 93 -6.373 8.201 1.302 691 1HG2 VAL 93 HG21 VAL 93 -8.876 9.523 1.869 692 2HG2 VAL 93 HG22 VAL 93 -9.256 9.272 3.573 693 3HG2 VAL 93 HG23 VAL 93 -9.971 8.226 2.346 694 H TYR 94 HN TYR 94 -6.954 5.391 0.019 695 HA TYR 94 HA TYR 94 -5.306 3.698 1.685 696 1HB TYR 94 HB2 TYR 94 -6.042 3.860 -1.196 697 2HB TYR 94 HB1 TYR 94 -4.542 3.063 -0.774 698 HD1 TYR 94 HD1 TYR 94 -7.896 3.097 0.857 699 HD2 TYR 94 HD2 TYR 94 -4.845 0.766 -0.976 700 HE1 TYR 94 HE1 TYR 94 -9.163 1.053 1.364 701 HE2 TYR 94 HE2 TYR 94 -6.104 -1.286 -0.474 702 HH TYR 94 HH TYR 94 -9.239 -1.392 0.255 703 H THR 95 HN THR 95 -3.613 4.783 2.569 704 HA THR 95 HA THR 95 -2.027 6.519 0.808 705 HB THR 95 HB THR 95 -2.968 7.420 2.976 706 HG1 THR 95 HG1 THR 95 -0.822 8.004 1.795 707 1HG2 THR 95 HG21 THR 95 -2.381 5.343 4.306 708 2HG2 THR 95 HG22 THR 95 -2.018 6.904 5.043 709 3HG2 THR 95 HG23 THR 95 -0.726 5.952 4.311 710 H CYS 96 HN CYS 96 0.152 6.200 0.507 711 HA CYS 96 HA CYS 96 1.123 3.543 1.232 712 1HB CYS 96 HB2 CYS 96 1.522 5.345 -1.005 713 2HB CYS 96 HB1 CYS 96 3.060 4.790 -0.352 714 H GLY 97 HN GLY 97 3.016 3.171 2.354 715 1HA GLY 97 HA2 GLY 97 4.333 5.524 3.535 716 2HA GLY 97 HA1 GLY 97 3.789 4.202 4.558 717 H ALA 98 HN ALA 98 6.320 4.740 4.846 718 HA ALA 98 HA ALA 98 7.660 2.488 3.553 719 1HB ALA 98 HB1 ALA 98 8.112 5.133 2.755 720 2HB ALA 98 HB2 ALA 98 9.044 3.701 2.324 721 3HB ALA 98 HB3 ALA 98 9.514 4.670 3.720 722 H GLY 99 HN GLY 99 9.828 2.064 4.576 723 1HA GLY 99 HA2 GLY 99 9.684 2.699 7.459 724 2HA GLY 99 HA1 GLY 99 10.142 1.117 6.854 725 H GLU 100 HN GLU 100 11.863 2.011 8.533 726 HA GLU 100 HA GLU 100 14.238 2.429 7.005 727 1HB GLU 100 HB2 GLU 100 13.062 4.688 8.583 728 2HB GLU 100 HB1 GLU 100 14.810 4.520 8.485 729 1HG GLU 100 HG2 GLU 100 14.675 5.719 6.625 730 2HG GLU 100 HG1 GLU 100 14.021 4.269 5.867 731 H GLY 101 HN GLY 101 15.628 1.100 7.961 732 1HA GLY 101 HA2 GLY 101 16.790 -0.030 9.563 733 2HA GLY 101 HA1 GLY 101 16.409 1.300 10.645 734 H GLY 102 HN GLY 102 13.696 -0.270 9.263 735 1HA GLY 102 HA2 GLY 102 12.612 -2.258 10.120 736 2HA GLY 102 HA1 GLY 102 13.392 -1.954 11.664 737 H THR 103 HN THR 103 12.596 1.033 10.976 738 HA THR 103 HA THR 103 10.031 0.844 12.361 739 HB THR 103 HB THR 103 11.619 3.322 11.771 740 HG1 THR 103 HG1 THR 103 11.920 1.558 13.964 741 1HG2 THR 103 HG21 THR 103 10.631 3.704 14.227 742 2HG2 THR 103 HG22 THR 103 9.366 2.680 13.549 743 3HG2 THR 103 HG23 THR 103 9.794 4.195 12.754 744 H TRP 104 HN TRP 104 8.584 2.866 11.721 745 HA TRP 104 HA TRP 104 8.495 3.215 8.824 746 1HB TRP 104 HB2 TRP 104 6.205 2.159 10.488 747 2HB TRP 104 HB1 TRP 104 6.038 2.742 8.834 748 HD1 TRP 104 HD1 TRP 104 7.680 -0.106 10.831 749 HE1 TRP 104 HE1 TRP 104 8.081 -2.086 9.232 750 HE3 TRP 104 HE3 TRP 104 6.309 2.113 6.437 751 HZ2 TRP 104 HZ2 TRP 104 7.848 -2.630 6.468 752 HZ3 TRP 104 HZ3 TRP 104 6.430 0.800 4.360 753 HH2 TRP 104 HH2 TRP 104 7.184 -1.524 4.377 754 H ASP 105 HN ASP 105 8.764 5.357 8.748 755 HA ASP 105 HA ASP 105 6.779 7.010 10.123 756 1HB ASP 105 HB2 ASP 105 8.825 7.082 11.456 757 2HB ASP 105 HB1 ASP 105 9.722 7.600 10.039 758 H SER 106 HN SER 106 7.332 6.025 7.302 759 HA SER 106 HA SER 106 7.461 8.666 6.001 760 1HB SER 106 HB2 SER 106 8.882 6.248 5.447 761 2HB SER 106 HB1 SER 106 7.821 6.591 4.082 762 HG SER 106 HG SER 106 10.110 7.649 4.447 763 H TRP 107 HN TRP 107 5.838 9.276 4.652 764 HA TRP 107 HA TRP 107 3.739 7.328 4.020 765 1HB TRP 107 HB2 TRP 107 3.160 10.089 5.102 766 2HB TRP 107 HB1 TRP 107 1.982 8.854 4.680 767 HD1 TRP 107 HD1 TRP 107 4.532 9.746 7.386 768 HE1 TRP 107 HE1 TRP 107 4.024 8.346 9.487 769 HE3 TRP 107 HE3 TRP 107 0.924 6.683 5.462 770 HZ2 TRP 107 HZ2 TRP 107 2.316 6.222 10.228 771 HZ3 TRP 107 HZ3 TRP 107 -0.098 4.995 6.931 772 HH2 TRP 107 HH2 TRP 107 0.584 4.770 9.264 773 H GLY 108 HN GLY 108 2.171 8.223 2.408 774 1HA GLY 108 HA2 GLY 108 3.652 9.848 0.437 775 2HA GLY 108 HA1 GLY 108 2.481 8.606 0.022 776 H GLN 109 HN GLN 109 1.389 10.166 -1.284 777 HA GLN 109 HA GLN 109 0.218 12.481 -0.031 778 1HB GLN 109 HB2 GLN 109 0.381 11.367 -2.758 779 2HB GLN 109 HB1 GLN 109 -1.029 12.344 -2.395 780 1HG GLN 109 HG2 GLN 109 0.255 14.248 -1.953 781 2HG GLN 109 HG1 GLN 109 1.742 13.312 -1.815 782 1HE2 GLN 109 HE21 GLN 109 2.329 15.143 -3.335 783 2HE2 GLN 109 HE22 GLN 109 2.153 14.825 -5.024 784 H GLY 110 HN GLY 110 -0.873 9.331 -1.205 785 1HA GLY 110 HA2 GLY 110 -2.613 8.151 -0.040 786 2HA GLY 110 HA1 GLY 110 -3.328 9.699 0.377 787 H THR 111 HN THR 111 -4.568 7.382 -0.864 788 HA THR 111 HA THR 111 -5.839 8.768 -3.064 789 HB THR 111 HB THR 111 -3.908 7.511 -4.087 790 HG1 THR 111 HG1 THR 111 -5.488 7.872 -5.506 791 1HG2 THR 111 HG21 THR 111 -5.313 4.958 -4.002 792 2HG2 THR 111 HG22 THR 111 -4.597 5.437 -2.464 793 3HG2 THR 111 HG23 THR 111 -3.589 5.317 -3.904 794 H GLN 112 HN GLN 112 -7.965 8.523 -2.755 795 HA GLN 112 HA GLN 112 -8.946 6.559 -0.928 796 1HB GLN 112 HB2 GLN 112 -9.754 9.056 -1.779 797 2HB GLN 112 HB1 GLN 112 -10.932 7.988 -2.511 798 1HG GLN 112 HG2 GLN 112 -10.402 7.357 0.279 799 2HG GLN 112 HG1 GLN 112 -11.006 8.994 0.043 800 1HE2 GLN 112 HE21 GLN 112 -11.805 6.240 -1.970 801 2HE2 GLN 112 HE22 GLN 112 -13.460 6.148 -1.524 802 H VAL 113 HN VAL 113 -10.278 4.823 -1.341 803 HA VAL 113 HA VAL 113 -10.410 3.947 -4.147 804 HB VAL 113 HB VAL 113 -10.139 2.361 -1.598 805 1HG1 VAL 113 HG11 VAL 113 -10.650 1.348 -4.397 806 2HG1 VAL 113 HG12 VAL 113 -11.723 1.192 -3.006 807 3HG1 VAL 113 HG13 VAL 113 -10.179 0.339 -3.029 808 1HG2 VAL 113 HG21 VAL 113 -8.380 2.586 -4.037 809 2HG2 VAL 113 HG22 VAL 113 -8.087 1.523 -2.660 810 3HG2 VAL 113 HG23 VAL 113 -8.059 3.273 -2.445 811 H THR 114 HN THR 114 -12.386 3.648 -4.979 812 HA THR 114 HA THR 114 -14.684 3.795 -3.172 813 HB THR 114 HB THR 114 -14.508 4.195 -6.165 814 HG1 THR 114 HG1 THR 114 -14.908 6.043 -4.052 815 1HG2 THR 114 HG21 THR 114 -16.838 4.305 -4.295 816 2HG2 THR 114 HG22 THR 114 -16.708 3.524 -5.871 817 3HG2 THR 114 HG23 THR 114 -16.792 5.282 -5.762 818 H VAL 115 HN VAL 115 -16.013 2.124 -2.865 819 HA VAL 115 HA VAL 115 -15.951 -0.117 -4.758 820 HB VAL 115 HB VAL 115 -16.192 -0.893 -1.913 821 1HG1 VAL 115 HG11 VAL 115 -16.055 -2.825 -3.026 822 2HG1 VAL 115 HG12 VAL 115 -14.330 -2.496 -3.163 823 3HG1 VAL 115 HG13 VAL 115 -15.419 -2.043 -4.473 824 1HG2 VAL 115 HG21 VAL 115 -14.362 0.770 -1.827 825 2HG2 VAL 115 HG22 VAL 115 -13.499 -0.151 -3.057 826 3HG2 VAL 115 HG23 VAL 115 -13.812 -0.869 -1.477 827 H SER 116 HN SER 116 -17.688 -1.794 -3.265 828 HA SER 116 HA SER 116 -19.870 -2.131 -2.697 829 1HB SER 116 HB2 SER 116 -19.562 0.043 -1.363 830 2HB SER 116 HB1 SER 116 -20.346 0.846 -2.722 831 HG SER 116 HG SER 116 -22.177 0.166 -1.979 832 H SER 117 HN SER 117 -22.140 -1.648 -3.594 833 HA SER 117 HA SER 117 -22.108 -2.087 -6.354 834 1HB SER 117 HB2 SER 117 -23.981 -2.847 -5.048 835 2HB SER 117 HB1 SER 117 -24.352 -1.204 -4.528 836 HG SER 117 HG SER 117 -25.701 -1.416 -6.172
Contact the webmaster for help, if required. Wednesday, June 26, 2024 1:24:16 AM GMT (wattos1)