NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27582 | 2rnz | 11033 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET -4 HA MET -4 1.391 -0.043 -2.062 2 H1 MET -4 H1 MET -4 1.808 0.000 0.855 3 HB2 MET -4 HB2 MET -4 3.468 1.259 -2.288 4 HB3 MET -4 HB3 MET -4 2.247 2.128 -1.369 5 HG2 MET -4 HG2 MET -4 3.390 1.904 0.621 6 HG3 MET -4 HG3 MET -4 4.306 0.509 0.056 7 HE1 MET -4 HE1 MET -4 6.110 1.943 1.474 8 HE2 MET -4 HE2 MET -4 6.898 1.036 0.182 9 HE3 MET -4 HE3 MET -4 7.353 2.713 0.486 10 H GLY -3 H GLY -3 3.810 -0.553 -3.027 11 HA2 GLY -3 HA2 GLY -3 4.804 -2.933 -1.600 12 HA3 GLY -3 HA3 GLY -3 4.353 -3.046 -3.295 13 H SER -2 H SER -2 6.757 -3.840 -3.017 14 HA SER -2 HA SER -2 8.438 -1.575 -3.841 15 HG SER -2 HG SER -2 9.758 -1.645 -0.780 16 HB2 SER -2 HB2 SER -2 9.291 -3.805 -1.977 17 HB3 SER -2 HB3 SER -2 10.350 -2.549 -2.620 18 H SER -1 H SER -1 10.573 -2.491 -4.813 19 HA SER -1 HA SER -1 9.810 -4.143 -7.019 20 HG SER -1 HG SER -1 12.296 -2.935 -8.797 21 HB2 SER -1 HB2 SER -1 11.557 -2.199 -6.920 22 HB3 SER -1 HB3 SER -1 12.666 -3.464 -6.393 23 H HIS 0 H HIS 0 9.408 -6.231 -6.542 24 HA HIS 0 HA HIS 0 11.605 -7.769 -5.333 25 HD1 HIS 0 HD1 HIS 0 8.059 -9.590 -6.340 26 HD2 HIS 0 HD2 HIS 0 7.352 -6.609 -3.533 27 HE1 HIS 0 HE1 HIS 0 5.600 -9.088 -6.497 28 HB2 HIS 0 HB2 HIS 0 9.909 -9.230 -4.259 29 HB3 HIS 0 HB3 HIS 0 9.866 -7.577 -3.654 30 H HIS 1 H HIS 1 10.802 -7.249 -8.136 31 HA HIS 1 HA HIS 1 10.422 -10.052 -8.952 32 HD1 HIS 1 HD1 HIS 1 9.694 -7.100 -12.330 33 HD2 HIS 1 HD2 HIS 1 8.425 -6.230 -8.471 34 HE1 HIS 1 HE1 HIS 1 9.334 -4.612 -12.285 35 HB2 HIS 1 HB2 HIS 1 9.232 -9.161 -10.984 36 HB3 HIS 1 HB3 HIS 1 8.359 -8.952 -9.469 37 H HIS 2 H HIS 2 12.924 -9.285 -8.610 38 HA HIS 2 HA HIS 2 13.913 -8.528 -11.279 39 HD1 HIS 2 HD1 HIS 2 12.764 -6.519 -10.318 40 HD2 HIS 2 HD2 HIS 2 16.761 -5.476 -9.878 41 HE1 HIS 2 HE1 HIS 2 12.885 -4.069 -10.874 42 HB2 HIS 2 HB2 HIS 2 14.940 -8.015 -8.522 43 HB3 HIS 2 HB3 HIS 2 16.103 -8.170 -9.835 44 H HIS 3 H HIS 3 13.537 -10.800 -11.871 45 HA HIS 3 HA HIS 3 15.665 -12.574 -10.870 46 HD1 HIS 3 HD1 HIS 3 12.324 -12.113 -9.474 47 HD2 HIS 3 HD2 HIS 3 14.447 -15.684 -9.499 48 HE1 HIS 3 HE1 HIS 3 12.081 -13.056 -7.155 49 HB2 HIS 3 HB2 HIS 3 12.898 -13.158 -11.896 50 HB3 HIS 3 HB3 HIS 3 14.146 -14.401 -11.885 51 H HIS 4 H HIS 4 16.791 -13.879 -12.381 52 HA HIS 4 HA HIS 4 16.627 -12.926 -15.165 53 HD1 HIS 4 HD1 HIS 4 18.121 -11.233 -12.293 54 HD2 HIS 4 HD2 HIS 4 19.504 -10.897 -16.196 55 HE1 HIS 4 HE1 HIS 4 18.546 -8.780 -12.647 56 HB2 HIS 4 HB2 HIS 4 19.061 -13.504 -13.481 57 HB3 HIS 4 HB3 HIS 4 19.130 -13.410 -15.238 58 H HIS 5 H HIS 5 17.665 -14.483 -16.729 59 HA HIS 5 HA HIS 5 17.651 -16.519 -17.746 60 HD1 HIS 5 HD1 HIS 5 20.310 -16.592 -17.864 61 HD2 HIS 5 HD2 HIS 5 20.149 -16.592 -13.712 62 HE1 HIS 5 HE1 HIS 5 22.470 -15.549 -17.107 63 HB2 HIS 5 HB2 HIS 5 18.053 -17.692 -14.993 64 HB3 HIS 5 HB3 HIS 5 18.544 -18.380 -16.538 65 H SER 6 H SER 6 15.152 -15.471 -17.116 66 HA SER 6 HA SER 6 13.511 -17.490 -15.893 67 HG SER 6 HG SER 6 12.457 -14.023 -17.663 68 HB2 SER 6 HB2 SER 6 11.662 -16.038 -16.356 69 HB3 SER 6 HB3 SER 6 13.010 -15.012 -15.865 70 H SER 7 H SER 7 12.076 -18.886 -16.884 71 HA SER 7 HA SER 7 12.521 -19.296 -19.768 72 HG SER 7 HG SER 7 13.954 -22.043 -18.785 73 HB2 SER 7 HB2 SER 7 11.765 -21.323 -17.650 74 HB3 SER 7 HB3 SER 7 11.962 -21.670 -19.367 75 H GLY 8 H GLY 8 10.691 -20.221 -20.973 76 HA2 GLY 8 HA2 GLY 8 8.202 -20.709 -20.659 77 HA3 GLY 8 HA3 GLY 8 8.154 -19.087 -19.986 78 H LEU 9 H LEU 9 7.297 -20.705 -22.603 79 HA LEU 9 HA LEU 9 8.134 -18.643 -24.520 80 HG LEU 9 HG LEU 9 9.515 -19.894 -25.962 81 HB2 LEU 9 HB2 LEU 9 7.257 -21.481 -24.779 82 HB3 LEU 9 HB3 LEU 9 7.006 -20.380 -26.132 83 HD11 LEU 9 HD11 LEU 9 10.141 -20.779 -23.898 84 HD12 LEU 9 HD12 LEU 9 10.740 -21.957 -25.065 85 HD13 LEU 9 HD13 LEU 9 9.258 -22.282 -24.167 86 HD21 LEU 9 HD21 LEU 9 9.301 -21.070 -27.843 87 HD22 LEU 9 HD22 LEU 9 8.063 -22.113 -27.144 88 HD23 LEU 9 HD23 LEU 9 9.769 -22.482 -26.896 89 H VAL 10 H VAL 10 5.232 -20.683 -24.172 90 HA VAL 10 HA VAL 10 3.567 -18.510 -25.117 91 HB VAL 10 HB VAL 10 3.084 -20.758 -25.909 92 HG11 VAL 10 HG11 VAL 10 1.880 -21.919 -23.602 93 HG12 VAL 10 HG12 VAL 10 3.215 -22.531 -24.580 94 HG13 VAL 10 HG13 VAL 10 3.539 -21.469 -23.210 95 HG21 VAL 10 HG21 VAL 10 0.668 -20.859 -25.307 96 HG22 VAL 10 HG22 VAL 10 0.965 -19.612 -24.097 97 HG23 VAL 10 HG23 VAL 10 1.214 -19.258 -25.807 98 HA PRO 11 HA PRO 11 2.576 -17.005 -21.077 99 HB2 PRO 11 HB2 PRO 11 0.456 -15.466 -21.790 100 HB3 PRO 11 HB3 PRO 11 2.131 -15.002 -22.111 101 HG2 PRO 11 HG2 PRO 11 0.125 -16.247 -23.951 102 HG3 PRO 11 HG3 PRO 11 1.270 -14.932 -24.270 103 HD2 PRO 11 HD2 PRO 11 1.724 -17.482 -25.058 104 HD3 PRO 11 HD3 PRO 11 3.035 -16.378 -24.594 105 H ARG 12 H ARG 12 1.888 -19.013 -20.176 106 HA ARG 12 HA ARG 12 -0.641 -20.168 -20.659 107 HE ARG 12 HE ARG 12 2.763 -23.802 -20.662 108 HB2 ARG 12 HB2 ARG 12 1.244 -20.391 -18.310 109 HB3 ARG 12 HB3 ARG 12 -0.221 -21.349 -18.472 110 HG2 ARG 12 HG2 ARG 12 0.711 -22.150 -20.685 111 HG3 ARG 12 HG3 ARG 12 2.237 -21.412 -20.193 112 HD2 ARG 12 HD2 ARG 12 2.077 -22.787 -18.081 113 HD3 ARG 12 HD3 ARG 12 0.740 -23.648 -18.843 114 HH11 ARG 12 HH11 ARG 12 2.419 -24.643 -17.302 115 HH12 ARG 12 HH12 ARG 12 3.552 -25.952 -17.379 116 HH21 ARG 12 HH21 ARG 12 4.257 -25.522 -20.776 117 HH22 ARG 12 HH22 ARG 12 4.597 -26.450 -19.355 118 H GLY 13 H GLY 13 -2.249 -18.606 -20.546 119 HA2 GLY 13 HA2 GLY 13 -3.936 -17.450 -19.498 120 HA3 GLY 13 HA3 GLY 13 -3.394 -18.173 -17.990 121 H SER 14 H SER 14 -2.899 -15.493 -20.219 122 HA SER 14 HA SER 14 -1.283 -14.081 -18.241 123 HG SER 14 HG SER 14 0.436 -13.525 -19.451 124 HB2 SER 14 HB2 SER 14 -1.817 -13.768 -21.152 125 HB3 SER 14 HB3 SER 14 -1.441 -12.307 -20.239 126 H HIS 15 H HIS 15 -1.793 -11.800 -17.763 127 HA HIS 15 HA HIS 15 -4.469 -11.545 -16.838 128 HD1 HIS 15 HD1 HIS 15 -2.732 -7.453 -15.327 129 HD2 HIS 15 HD2 HIS 15 -5.918 -10.095 -15.682 130 HE1 HIS 15 HE1 HIS 15 -4.683 -6.303 -14.235 131 HB2 HIS 15 HB2 HIS 15 -2.485 -10.553 -15.697 132 HB3 HIS 15 HB3 HIS 15 -2.345 -9.398 -17.019 133 H MET 16 H MET 16 -2.645 -10.052 -19.481 134 HA MET 16 HA MET 16 -5.088 -8.720 -20.401 135 HB2 MET 16 HB2 MET 16 -2.261 -8.400 -21.419 136 HB3 MET 16 HB3 MET 16 -3.646 -7.404 -21.844 137 HG2 MET 16 HG2 MET 16 -2.671 -7.642 -19.020 138 HG3 MET 16 HG3 MET 16 -1.993 -6.474 -20.152 139 HE1 MET 16 HE1 MET 16 -4.458 -7.234 -17.570 140 HE2 MET 16 HE2 MET 16 -3.580 -5.738 -17.250 141 HE3 MET 16 HE3 MET 16 -5.333 -5.708 -17.440 142 H SER 17 H SER 17 -5.624 -8.799 -22.694 143 HA SER 17 HA SER 17 -4.612 -11.147 -24.123 144 HG SER 17 HG SER 17 -8.327 -10.307 -23.209 145 HB2 SER 17 HB2 SER 17 -6.735 -12.093 -24.499 146 HB3 SER 17 HB3 SER 17 -6.767 -11.645 -22.793 147 H VAL 18 H VAL 18 -5.949 -11.178 -26.365 148 HA VAL 18 HA VAL 18 -5.276 -8.646 -27.607 149 HB VAL 18 HB VAL 18 -4.642 -10.818 -28.650 150 HG11 VAL 18 HG11 VAL 18 -6.170 -12.323 -29.501 151 HG12 VAL 18 HG12 VAL 18 -6.966 -11.807 -28.013 152 HG13 VAL 18 HG13 VAL 18 -7.469 -11.131 -29.563 153 HG21 VAL 18 HG21 VAL 18 -5.047 -10.120 -30.881 154 HG22 VAL 18 HG22 VAL 18 -6.511 -9.253 -30.415 155 HG23 VAL 18 HG23 VAL 18 -4.932 -8.652 -29.911 156 H ASP 19 H ASP 19 -8.012 -10.020 -26.241 157 HA ASP 19 HA ASP 19 -10.083 -9.272 -27.946 158 HB2 ASP 19 HB2 ASP 19 -10.350 -10.673 -25.910 159 HB3 ASP 19 HB3 ASP 19 -10.124 -9.233 -24.921 160 H ASP 20 H ASP 20 -8.012 -7.347 -25.969 161 HA ASP 20 HA ASP 20 -9.745 -5.002 -26.272 162 HB2 ASP 20 HB2 ASP 20 -8.563 -5.727 -24.054 163 HB3 ASP 20 HB3 ASP 20 -7.146 -4.971 -24.778 164 H ILE 21 H ILE 21 -8.139 -6.285 -28.442 165 HA ILE 21 HA ILE 21 -6.596 -3.896 -29.211 166 HB ILE 21 HB ILE 21 -5.893 -6.761 -29.861 167 HG12 ILE 21 HG12 ILE 21 -4.502 -4.730 -28.101 168 HG13 ILE 21 HG13 ILE 21 -5.377 -6.150 -27.538 169 HG21 ILE 21 HG21 ILE 21 -3.800 -4.932 -30.441 170 HG22 ILE 21 HG22 ILE 21 -4.687 -5.978 -31.549 171 HG23 ILE 21 HG23 ILE 21 -5.273 -4.349 -31.214 172 HD11 ILE 21 HD11 ILE 21 -3.432 -7.206 -27.571 173 HD12 ILE 21 HD12 ILE 21 -3.533 -7.164 -29.331 174 HD13 ILE 21 HD13 ILE 21 -2.656 -5.901 -28.467 175 H ILE 22 H ILE 22 -7.202 -2.989 -31.065 176 HA ILE 22 HA ILE 22 -8.817 -4.591 -32.941 177 HB ILE 22 HB ILE 22 -10.090 -2.625 -33.519 178 HG12 ILE 22 HG12 ILE 22 -8.395 -1.176 -31.473 179 HG13 ILE 22 HG13 ILE 22 -8.322 -0.949 -33.217 180 HG21 ILE 22 HG21 ILE 22 -11.374 -2.371 -31.530 181 HG22 ILE 22 HG22 ILE 22 -10.741 -4.016 -31.539 182 HG23 ILE 22 HG23 ILE 22 -9.994 -2.791 -30.515 183 HD11 ILE 22 HD11 ILE 22 -10.828 -0.346 -32.987 184 HD12 ILE 22 HD12 ILE 22 -10.429 -0.101 -31.286 185 HD13 ILE 22 HD13 ILE 22 -9.600 0.835 -32.531 186 H ILE 23 H ILE 23 -8.977 -3.007 -35.078 187 HA ILE 23 HA ILE 23 -6.265 -3.039 -36.092 188 HB ILE 23 HB ILE 23 -8.767 -2.241 -37.577 189 HG12 ILE 23 HG12 ILE 23 -9.029 -4.488 -36.599 190 HG13 ILE 23 HG13 ILE 23 -8.895 -4.558 -38.353 191 HG21 ILE 23 HG21 ILE 23 -5.991 -2.367 -38.264 192 HG22 ILE 23 HG22 ILE 23 -6.894 -3.533 -39.229 193 HG23 ILE 23 HG23 ILE 23 -7.358 -1.832 -39.242 194 HD11 ILE 23 HD11 ILE 23 -7.629 -6.334 -37.267 195 HD12 ILE 23 HD12 ILE 23 -6.575 -5.240 -38.163 196 HD13 ILE 23 HD13 ILE 23 -6.674 -5.128 -36.406 197 H LYS 24 H LYS 24 -5.125 -1.293 -36.882 198 HA LYS 24 HA LYS 24 -4.403 0.859 -37.035 199 HB2 LYS 24 HB2 LYS 24 -7.293 1.706 -36.889 200 HB3 LYS 24 HB3 LYS 24 -5.955 2.557 -37.649 201 HG2 LYS 24 HG2 LYS 24 -5.836 0.382 -39.120 202 HG3 LYS 24 HG3 LYS 24 -7.523 0.229 -38.624 203 HD2 LYS 24 HD2 LYS 24 -8.039 2.399 -39.529 204 HD3 LYS 24 HD3 LYS 24 -6.337 2.699 -39.887 205 HE2 LYS 24 HE2 LYS 24 -6.312 1.181 -41.645 206 HE3 LYS 24 HE3 LYS 24 -7.736 0.326 -41.057 207 HZ1 LYS 24 HZ1 LYS 24 -8.876 2.605 -41.525 208 HZ2 LYS 24 HZ2 LYS 24 -8.608 1.512 -42.788 209 HZ3 LYS 24 HZ3 LYS 24 -7.570 2.830 -42.577 210 H CYS 25 H CYS 25 -4.843 -0.419 -34.431 211 HA CYS 25 HA CYS 25 -5.523 1.848 -32.713 212 HG CYS 25 HG CYS 25 -5.550 0.139 -29.359 213 HB2 CYS 25 HB2 CYS 25 -6.250 -0.696 -32.431 214 HB3 CYS 25 HB3 CYS 25 -4.707 -0.792 -31.592 215 H GLN 26 H GLN 26 -4.111 2.520 -31.010 216 HA GLN 26 HA GLN 26 -1.312 2.401 -31.805 217 HB2 GLN 26 HB2 GLN 26 -0.989 4.237 -30.223 218 HB3 GLN 26 HB3 GLN 26 -2.301 4.593 -31.338 219 HG2 GLN 26 HG2 GLN 26 -3.732 3.524 -29.369 220 HG3 GLN 26 HG3 GLN 26 -2.363 4.104 -28.423 221 HE21 GLN 26 HE21 GLN 26 -2.999 5.897 -27.454 222 HE22 GLN 26 HE22 GLN 26 -3.788 7.233 -28.215 223 H CYS 27 H CYS 27 0.125 1.128 -30.850 224 HA CYS 27 HA CYS 27 -0.468 0.121 -28.146 225 HG CYS 27 HG CYS 27 1.906 -2.572 -31.015 226 HB2 CYS 27 HB2 CYS 27 0.724 -1.976 -28.814 227 HB3 CYS 27 HB3 CYS 27 -0.784 -1.704 -29.680 228 H TRP 28 H TRP 28 1.021 0.584 -26.673 229 HA TRP 28 HA TRP 28 3.483 1.861 -27.467 230 HD1 TRP 28 HD1 TRP 28 0.445 3.424 -25.351 231 HE1 TRP 28 HE1 TRP 28 0.806 5.956 -25.641 232 HE3 TRP 28 HE3 TRP 28 5.535 3.468 -25.826 233 HZ2 TRP 28 HZ2 TRP 28 2.963 7.736 -26.021 234 HZ3 TRP 28 HZ3 TRP 28 6.670 5.627 -26.151 235 HH2 TRP 28 HH2 TRP 28 5.409 7.715 -26.247 236 HB2 TRP 28 HB2 TRP 28 2.040 1.408 -24.896 237 HB3 TRP 28 HB3 TRP 28 3.770 1.732 -24.829 238 H VAL 29 H VAL 29 5.475 0.999 -27.499 239 HA VAL 29 HA VAL 29 5.724 -1.848 -26.846 240 HB VAL 29 HB VAL 29 7.611 -0.098 -28.428 241 HG11 VAL 29 HG11 VAL 29 8.978 -1.808 -27.803 242 HG12 VAL 29 HG12 VAL 29 7.644 -2.944 -27.587 243 HG13 VAL 29 HG13 VAL 29 8.223 -2.560 -29.209 244 HG21 VAL 29 HG21 VAL 29 6.636 -1.746 -30.267 245 HG22 VAL 29 HG22 VAL 29 5.238 -1.708 -29.192 246 HG23 VAL 29 HG23 VAL 29 5.861 -0.210 -29.883 247 H GLN 30 H GLN 30 6.461 -2.266 -24.872 248 HA GLN 30 HA GLN 30 8.248 -0.380 -23.548 249 HB2 GLN 30 HB2 GLN 30 6.246 -1.350 -22.378 250 HB3 GLN 30 HB3 GLN 30 7.044 -2.916 -22.434 251 HG2 GLN 30 HG2 GLN 30 8.776 -2.191 -21.000 252 HG3 GLN 30 HG3 GLN 30 8.285 -0.504 -21.146 253 HE21 GLN 30 HE21 GLN 30 7.338 -3.644 -19.884 254 HE22 GLN 30 HE22 GLN 30 6.318 -3.039 -18.628 255 H LYS 31 H LYS 31 10.322 -0.610 -24.101 256 HA LYS 31 HA LYS 31 11.436 -3.214 -24.705 257 HB2 LYS 31 HB2 LYS 31 11.979 -0.719 -25.639 258 HB3 LYS 31 HB3 LYS 31 13.255 -0.904 -24.443 259 HG2 LYS 31 HG2 LYS 31 14.072 -1.611 -26.581 260 HG3 LYS 31 HG3 LYS 31 13.915 -3.023 -25.533 261 HD2 LYS 31 HD2 LYS 31 12.874 -3.903 -27.333 262 HD3 LYS 31 HD3 LYS 31 11.483 -3.021 -26.698 263 HE2 LYS 31 HE2 LYS 31 11.580 -2.464 -28.979 264 HE3 LYS 31 HE3 LYS 31 12.259 -1.073 -28.135 265 HZ1 LYS 31 HZ1 LYS 31 14.100 -3.164 -29.027 266 HZ2 LYS 31 HZ2 LYS 31 14.335 -1.492 -28.919 267 HZ3 LYS 31 HZ3 LYS 31 13.447 -2.139 -30.204 268 H ASN 32 H ASN 32 13.547 -3.847 -23.705 269 HA ASN 32 HA ASN 32 13.303 -4.310 -20.997 270 HB2 ASN 32 HB2 ASN 32 15.843 -4.166 -22.636 271 HB3 ASN 32 HB3 ASN 32 15.714 -4.897 -21.039 272 HD21 ASN 32 HD21 ASN 32 16.234 -5.847 -23.916 273 HD22 ASN 32 HD22 ASN 32 15.232 -7.248 -24.054 274 H ASP 33 H ASP 33 15.522 -1.957 -22.506 275 HA ASP 33 HA ASP 33 15.302 -0.331 -20.061 276 HB2 ASP 33 HB2 ASP 33 17.540 -1.645 -20.544 277 HB3 ASP 33 HB3 ASP 33 17.830 -0.310 -21.656 278 H GLU 34 H GLU 34 13.973 -0.256 -22.750 279 HA GLU 34 HA GLU 34 14.522 2.569 -23.288 280 HB2 GLU 34 HB2 GLU 34 14.572 0.337 -25.300 281 HB3 GLU 34 HB3 GLU 34 14.170 1.979 -25.782 282 HG2 GLU 34 HG2 GLU 34 16.336 2.729 -24.833 283 HG3 GLU 34 HG3 GLU 34 16.738 1.040 -24.529 284 H GLU 35 H GLU 35 12.781 3.358 -24.975 285 HA GLU 35 HA GLU 35 10.196 2.085 -24.455 286 HB2 GLU 35 HB2 GLU 35 11.035 4.819 -23.614 287 HB3 GLU 35 HB3 GLU 35 9.390 4.604 -24.194 288 HG2 GLU 35 HG2 GLU 35 8.867 3.093 -22.470 289 HG3 GLU 35 HG3 GLU 35 10.562 2.888 -22.031 290 H ARG 36 H ARG 36 9.153 1.825 -26.306 291 HA ARG 36 HA ARG 36 9.462 3.851 -28.412 292 HE ARG 36 HE ARG 36 12.713 2.548 -30.104 293 HB2 ARG 36 HB2 ARG 36 10.753 1.516 -28.627 294 HB3 ARG 36 HB3 ARG 36 9.189 1.013 -29.252 295 HG2 ARG 36 HG2 ARG 36 9.295 2.523 -31.045 296 HG3 ARG 36 HG3 ARG 36 10.618 3.429 -30.308 297 HD2 ARG 36 HD2 ARG 36 10.954 0.540 -31.018 298 HD3 ARG 36 HD3 ARG 36 11.131 1.791 -32.247 299 HH11 ARG 36 HH11 ARG 36 12.533 -0.090 -32.369 300 HH12 ARG 36 HH12 ARG 36 14.236 -0.405 -32.337 301 HH21 ARG 36 HH21 ARG 36 14.957 2.143 -30.054 302 HH22 ARG 36 HH22 ARG 36 15.614 0.865 -31.019 303 H LEU 37 H LEU 37 7.763 3.462 -30.189 304 HA LEU 37 HA LEU 37 5.256 2.432 -29.069 305 HG LEU 37 HG LEU 37 3.749 4.368 -31.300 306 HB2 LEU 37 HB2 LEU 37 5.033 4.713 -28.595 307 HB3 LEU 37 HB3 LEU 37 5.778 5.192 -30.118 308 HD11 LEU 37 HD11 LEU 37 2.543 2.900 -30.098 309 HD12 LEU 37 HD12 LEU 37 1.759 4.352 -29.477 310 HD13 LEU 37 HD13 LEU 37 3.050 3.584 -28.553 311 HD21 LEU 37 HD21 LEU 37 3.364 6.501 -29.204 312 HD22 LEU 37 HD22 LEU 37 2.302 6.246 -30.589 313 HD23 LEU 37 HD23 LEU 37 3.982 6.721 -30.841 314 H ALA 38 H ALA 38 3.892 1.504 -30.531 315 HA ALA 38 HA ALA 38 4.511 1.754 -33.383 316 HB1 ALA 38 HB1 ALA 38 4.734 -0.526 -33.774 317 HB2 ALA 38 HB2 ALA 38 5.637 -0.283 -32.278 318 HB3 ALA 38 HB3 ALA 38 4.011 -0.962 -32.225 319 H GLU 39 H GLU 39 2.782 0.531 -34.700 320 HA GLU 39 HA GLU 39 0.159 0.863 -33.401 321 HB2 GLU 39 HB2 GLU 39 0.948 2.622 -35.175 322 HB3 GLU 39 HB3 GLU 39 0.528 1.364 -36.330 323 HG2 GLU 39 HG2 GLU 39 -1.403 2.612 -36.222 324 HG3 GLU 39 HG3 GLU 39 -1.733 1.300 -35.091 325 H ILE 40 H ILE 40 -1.552 -0.462 -34.219 326 HA ILE 40 HA ILE 40 -0.561 -3.014 -35.268 327 HB ILE 40 HB ILE 40 -3.216 -2.392 -33.970 328 HG12 ILE 40 HG12 ILE 40 -1.296 -2.175 -32.426 329 HG13 ILE 40 HG13 ILE 40 -2.331 -3.536 -32.009 330 HG21 ILE 40 HG21 ILE 40 -2.861 -5.070 -33.744 331 HG22 ILE 40 HG22 ILE 40 -3.794 -4.292 -35.022 332 HG23 ILE 40 HG23 ILE 40 -2.119 -4.760 -35.313 333 HD11 ILE 40 HD11 ILE 40 -0.041 -4.184 -31.775 334 HD12 ILE 40 HD12 ILE 40 -0.735 -5.036 -33.154 335 HD13 ILE 40 HD13 ILE 40 0.323 -3.649 -33.416 336 H LEU 41 H LEU 41 -0.867 -3.479 -37.335 337 HA LEU 41 HA LEU 41 -2.930 -2.028 -38.832 338 HG LEU 41 HG LEU 41 0.121 -1.343 -39.002 339 HB2 LEU 41 HB2 LEU 41 -0.499 -3.564 -39.725 340 HB3 LEU 41 HB3 LEU 41 -1.699 -2.903 -40.834 341 HD11 LEU 41 HD11 LEU 41 0.030 -1.787 -41.971 342 HD12 LEU 41 HD12 LEU 41 1.366 -2.073 -40.857 343 HD13 LEU 41 HD13 LEU 41 0.878 -0.423 -41.242 344 HD21 LEU 41 HD21 LEU 41 -2.031 -0.386 -40.886 345 HD22 LEU 41 HD22 LEU 41 -0.854 0.646 -40.073 346 HD23 LEU 41 HD23 LEU 41 -2.040 -0.254 -39.127 347 H SER 42 H SER 42 -1.689 -5.298 -38.263 348 HA SER 42 HA SER 42 -4.334 -6.348 -38.967 349 HG SER 42 HG SER 42 -3.298 -8.808 -41.201 350 HB2 SER 42 HB2 SER 42 -2.584 -6.565 -40.866 351 HB3 SER 42 HB3 SER 42 -1.850 -7.802 -39.846 352 H ILE 43 H ILE 43 -4.550 -8.682 -38.268 353 HA ILE 43 HA ILE 43 -2.886 -9.322 -35.941 354 HB ILE 43 HB ILE 43 -5.906 -9.297 -35.891 355 HG12 ILE 43 HG12 ILE 43 -3.884 -7.620 -34.388 356 HG13 ILE 43 HG13 ILE 43 -4.918 -7.055 -35.696 357 HG21 ILE 43 HG21 ILE 43 -4.039 -10.839 -34.412 358 HG22 ILE 43 HG22 ILE 43 -4.754 -9.651 -33.324 359 HG23 ILE 43 HG23 ILE 43 -5.791 -10.756 -34.226 360 HD11 ILE 43 HD11 ILE 43 -6.394 -6.466 -34.161 361 HD12 ILE 43 HD12 ILE 43 -6.651 -8.179 -33.826 362 HD13 ILE 43 HD13 ILE 43 -5.469 -7.264 -32.889 363 H ASN 44 H ASN 44 -2.304 -11.395 -35.898 364 HA ASN 44 HA ASN 44 -3.784 -13.282 -37.608 365 HB2 ASN 44 HB2 ASN 44 -0.871 -13.242 -36.799 366 HB3 ASN 44 HB3 ASN 44 -1.633 -14.582 -37.651 367 HD21 ASN 44 HD21 ASN 44 -1.001 -11.117 -37.857 368 HD22 ASN 44 HD22 ASN 44 -0.904 -11.058 -39.582 369 H THR 45 H THR 45 -4.708 -15.008 -36.702 370 HA THR 45 HA THR 45 -4.001 -15.654 -33.913 371 HB THR 45 HB THR 45 -6.343 -16.407 -33.601 372 HG1 THR 45 HG1 THR 45 -7.860 -15.647 -35.236 373 HG21 THR 45 HG21 THR 45 -5.596 -13.597 -34.187 374 HG22 THR 45 HG22 THR 45 -6.182 -14.324 -32.691 375 HG23 THR 45 HG23 THR 45 -7.313 -13.948 -33.991 376 H ARG 46 H ARG 46 -2.667 -16.850 -36.036 377 HA ARG 46 HA ARG 46 -3.887 -19.507 -36.287 378 HE ARG 46 HE ARG 46 0.237 -20.425 -38.786 379 HB2 ARG 46 HB2 ARG 46 -2.845 -18.018 -38.239 380 HB3 ARG 46 HB3 ARG 46 -1.368 -18.810 -37.710 381 HG2 ARG 46 HG2 ARG 46 -3.719 -20.542 -38.165 382 HG3 ARG 46 HG3 ARG 46 -2.965 -19.818 -39.586 383 HD2 ARG 46 HD2 ARG 46 -1.420 -21.314 -37.480 384 HD3 ARG 46 HD3 ARG 46 -2.098 -22.091 -38.910 385 HH11 ARG 46 HH11 ARG 46 -2.329 -21.593 -40.828 386 HH12 ARG 46 HH12 ARG 46 -1.441 -21.363 -42.298 387 HH21 ARG 46 HH21 ARG 46 1.417 -20.118 -40.713 388 HH22 ARG 46 HH22 ARG 46 0.690 -20.525 -42.231 389 H LYS 47 H LYS 47 -1.040 -17.828 -35.101 390 HA LYS 47 HA LYS 47 0.163 -20.330 -34.204 391 HB2 LYS 47 HB2 LYS 47 1.098 -17.493 -34.410 392 HB3 LYS 47 HB3 LYS 47 1.927 -18.598 -33.321 393 HG2 LYS 47 HG2 LYS 47 1.529 -19.767 -35.939 394 HG3 LYS 47 HG3 LYS 47 2.421 -18.246 -36.019 395 HD2 LYS 47 HD2 LYS 47 3.742 -19.307 -34.000 396 HD3 LYS 47 HD3 LYS 47 3.151 -20.816 -34.699 397 HE2 LYS 47 HE2 LYS 47 4.094 -20.061 -36.894 398 HE3 LYS 47 HE3 LYS 47 4.832 -18.705 -36.042 399 HZ1 LYS 47 HZ1 LYS 47 5.614 -20.822 -34.567 400 HZ2 LYS 47 HZ2 LYS 47 6.543 -20.091 -35.778 401 HZ3 LYS 47 HZ3 LYS 47 5.630 -21.470 -36.130 402 H ALA 48 H ALA 48 1.200 -20.168 -31.926 403 HA ALA 48 HA ALA 48 -0.584 -18.822 -30.031 404 HB1 ALA 48 HB1 ALA 48 -0.489 -21.016 -28.667 405 HB2 ALA 48 HB2 ALA 48 -1.625 -20.893 -30.011 406 HB3 ALA 48 HB3 ALA 48 -0.109 -21.770 -30.216 407 HA PRO 49 HA PRO 49 -0.555 -17.592 -28.574 408 HB2 PRO 49 HB2 PRO 49 0.580 -15.157 -28.186 409 HB3 PRO 49 HB3 PRO 49 0.363 -16.334 -26.885 410 HG2 PRO 49 HG2 PRO 49 2.810 -15.720 -28.495 411 HG3 PRO 49 HG3 PRO 49 2.660 -16.000 -26.751 412 HD2 PRO 49 HD2 PRO 49 3.529 -17.909 -28.463 413 HD3 PRO 49 HD3 PRO 49 2.606 -18.291 -26.996 414 HA PRO 50 HA PRO 50 -0.950 -15.860 -32.596 415 HB2 PRO 50 HB2 PRO 50 -2.531 -13.695 -32.167 416 HB3 PRO 50 HB3 PRO 50 -3.129 -15.355 -32.072 417 HG2 PRO 50 HG2 PRO 50 -2.308 -13.509 -29.863 418 HG3 PRO 50 HG3 PRO 50 -3.708 -14.594 -29.952 419 HD2 PRO 50 HD2 PRO 50 -1.461 -15.225 -28.580 420 HD3 PRO 50 HD3 PRO 50 -2.464 -16.449 -29.382 421 H LYS 51 H LYS 51 -0.309 -14.162 -33.993 422 HA LYS 51 HA LYS 51 1.538 -12.228 -32.754 423 HB2 LYS 51 HB2 LYS 51 1.655 -13.640 -35.417 424 HB3 LYS 51 HB3 LYS 51 2.650 -12.239 -35.044 425 HG2 LYS 51 HG2 LYS 51 4.111 -13.870 -34.470 426 HG3 LYS 51 HG3 LYS 51 3.266 -13.717 -32.928 427 HD2 LYS 51 HD2 LYS 51 2.128 -15.694 -33.202 428 HD3 LYS 51 HD3 LYS 51 2.198 -15.614 -34.964 429 HE2 LYS 51 HE2 LYS 51 3.805 -17.166 -34.759 430 HE3 LYS 51 HE3 LYS 51 4.836 -15.805 -34.322 431 HZ1 LYS 51 HZ1 LYS 51 3.694 -17.891 -32.628 432 HZ2 LYS 51 HZ2 LYS 51 3.837 -16.344 -31.956 433 HZ3 LYS 51 HZ3 LYS 51 5.208 -17.140 -32.547 434 H PHE 52 H PHE 52 1.715 -10.138 -33.746 435 HA PHE 52 HA PHE 52 -0.610 -9.374 -35.380 436 HD1 PHE 52 HD1 PHE 52 -2.199 -10.048 -33.954 437 HD2 PHE 52 HD2 PHE 52 -0.071 -7.874 -30.978 438 HE1 PHE 52 HE1 PHE 52 -3.423 -11.262 -32.198 439 HE2 PHE 52 HE2 PHE 52 -1.290 -9.085 -29.217 440 HZ PHE 52 HZ PHE 52 -2.967 -10.782 -29.826 441 HB2 PHE 52 HB2 PHE 52 0.525 -7.631 -33.194 442 HB3 PHE 52 HB3 PHE 52 -0.977 -7.408 -34.085 443 H TYR 53 H TYR 53 -0.312 -7.529 -36.729 444 HA TYR 53 HA TYR 53 2.444 -7.254 -37.623 445 HD1 TYR 53 HD1 TYR 53 3.360 -7.573 -39.385 446 HD2 TYR 53 HD2 TYR 53 0.430 -4.883 -40.898 447 HE1 TYR 53 HE1 TYR 53 4.911 -6.898 -41.171 448 HE2 TYR 53 HE2 TYR 53 1.972 -4.201 -42.688 449 HH TYR 53 HH TYR 53 3.909 -4.997 -43.853 450 HB2 TYR 53 HB2 TYR 53 0.443 -7.667 -39.169 451 HB3 TYR 53 HB3 TYR 53 0.024 -5.981 -38.890 452 H VAL 54 H VAL 54 3.634 -5.758 -36.641 453 HA VAL 54 HA VAL 54 2.402 -3.341 -35.585 454 HB VAL 54 HB VAL 54 4.687 -2.858 -34.701 455 HG11 VAL 54 HG11 VAL 54 4.571 -4.435 -32.928 456 HG12 VAL 54 HG12 VAL 54 2.913 -4.141 -33.458 457 HG13 VAL 54 HG13 VAL 54 3.747 -5.617 -33.946 458 HG21 VAL 54 HG21 VAL 54 6.444 -4.446 -34.871 459 HG22 VAL 54 HG22 VAL 54 5.388 -5.632 -35.637 460 HG23 VAL 54 HG23 VAL 54 5.853 -4.172 -36.510 461 H HIS 55 H HIS 55 2.998 -1.244 -36.178 462 HA HIS 55 HA HIS 55 4.751 -0.882 -38.473 463 HD1 HIS 55 HD1 HIS 55 1.043 1.573 -40.155 464 HD2 HIS 55 HD2 HIS 55 5.130 0.854 -40.367 465 HE1 HIS 55 HE1 HIS 55 1.957 3.336 -41.698 466 HB2 HIS 55 HB2 HIS 55 2.658 -1.227 -39.592 467 HB3 HIS 55 HB3 HIS 55 1.822 -0.144 -38.483 468 H TYR 56 H TYR 56 5.863 0.981 -38.370 469 HA TYR 56 HA TYR 56 5.210 2.810 -36.175 470 HD1 TYR 56 HD1 TYR 56 7.424 -0.027 -37.138 471 HD2 TYR 56 HD2 TYR 56 7.995 3.063 -34.269 472 HE1 TYR 56 HE1 TYR 56 8.114 -1.705 -35.477 473 HE2 TYR 56 HE2 TYR 56 8.687 1.394 -32.600 474 HH TYR 56 HH TYR 56 9.317 -1.895 -33.442 475 HB2 TYR 56 HB2 TYR 56 7.757 2.450 -37.765 476 HB3 TYR 56 HB3 TYR 56 7.540 3.637 -36.484 477 H VAL 57 H VAL 57 4.933 4.994 -36.472 478 HA VAL 57 HA VAL 57 4.245 5.810 -39.182 479 HB VAL 57 HB VAL 57 3.212 7.757 -38.175 480 HG11 VAL 57 HG11 VAL 57 2.523 5.318 -36.543 481 HG12 VAL 57 HG12 VAL 57 1.468 6.681 -36.923 482 HG13 VAL 57 HG13 VAL 57 1.996 5.589 -38.204 483 HG21 VAL 57 HG21 VAL 57 5.040 7.239 -36.065 484 HG22 VAL 57 HG22 VAL 57 3.957 8.616 -36.269 485 HG23 VAL 57 HG23 VAL 57 3.407 7.183 -35.400 486 H ASN 58 H ASN 58 5.048 7.707 -40.164 487 HA ASN 58 HA ASN 58 6.699 9.113 -40.852 488 HB2 ASN 58 HB2 ASN 58 7.161 9.387 -37.873 489 HB3 ASN 58 HB3 ASN 58 7.805 10.468 -39.105 490 HD21 ASN 58 HD21 ASN 58 6.031 11.033 -36.867 491 HD22 ASN 58 HD22 ASN 58 4.602 11.724 -37.551 492 H TYR 59 H TYR 59 7.291 6.249 -40.447 493 HA TYR 59 HA TYR 59 10.219 6.481 -40.386 494 HD1 TYR 59 HD1 TYR 59 11.263 6.536 -37.881 495 HD2 TYR 59 HD2 TYR 59 10.868 2.616 -39.488 496 HE1 TYR 59 HE1 TYR 59 13.584 6.043 -37.233 497 HE2 TYR 59 HE2 TYR 59 13.187 2.112 -38.844 498 HH TYR 59 HH TYR 59 14.832 3.351 -36.773 499 HB2 TYR 59 HB2 TYR 59 8.994 5.399 -38.289 500 HB3 TYR 59 HB3 TYR 59 8.979 3.981 -39.333 501 H ASN 60 H ASN 60 11.238 4.414 -41.308 502 HA ASN 60 HA ASN 60 10.288 4.071 -43.948 503 HB2 ASN 60 HB2 ASN 60 12.507 2.947 -42.313 504 HB3 ASN 60 HB3 ASN 60 12.041 2.061 -43.761 505 HD21 ASN 60 HD21 ASN 60 13.316 5.051 -42.514 506 HD22 ASN 60 HD22 ASN 60 13.956 5.632 -44.010 507 H LYS 61 H LYS 61 10.275 1.619 -44.778 508 HA LYS 61 HA LYS 61 7.974 0.424 -43.457 509 HB2 LYS 61 HB2 LYS 61 7.791 -0.960 -45.462 510 HB3 LYS 61 HB3 LYS 61 7.913 0.742 -45.889 511 HG2 LYS 61 HG2 LYS 61 9.390 -0.073 -47.388 512 HG3 LYS 61 HG3 LYS 61 10.497 0.099 -46.024 513 HD2 LYS 61 HD2 LYS 61 10.658 -2.144 -45.699 514 HD3 LYS 61 HD3 LYS 61 8.997 -2.447 -46.216 515 HE2 LYS 61 HE2 LYS 61 10.469 -3.411 -47.836 516 HE3 LYS 61 HE3 LYS 61 9.719 -1.989 -48.557 517 HZ1 LYS 61 HZ1 LYS 61 11.795 -0.767 -47.833 518 HZ2 LYS 61 HZ2 LYS 61 11.972 -1.857 -49.114 519 HZ3 LYS 61 HZ3 LYS 61 12.488 -2.286 -47.562 520 H ARG 62 H ARG 62 11.363 -0.114 -43.854 521 HA ARG 62 HA ARG 62 11.609 -2.843 -43.508 522 HE ARG 62 HE ARG 62 15.403 1.374 -40.456 523 HB2 ARG 62 HB2 ARG 62 13.802 -2.304 -42.393 524 HB3 ARG 62 HB3 ARG 62 13.560 -1.554 -43.965 525 HG2 ARG 62 HG2 ARG 62 13.272 0.560 -43.055 526 HG3 ARG 62 HG3 ARG 62 12.892 -0.076 -41.453 527 HD2 ARG 62 HD2 ARG 62 15.192 -0.787 -41.160 528 HD3 ARG 62 HD3 ARG 62 15.587 -0.255 -42.794 529 HH11 ARG 62 HH11 ARG 62 14.996 1.356 -43.913 530 HH12 ARG 62 HH12 ARG 62 15.284 3.055 -44.087 531 HH21 ARG 62 HH21 ARG 62 15.783 3.612 -40.671 532 HH22 ARG 62 HH22 ARG 62 15.732 4.338 -42.242 533 H LEU 63 H LEU 63 10.787 -0.385 -41.169 534 HA LEU 63 HA LEU 63 11.146 -2.070 -38.875 535 HG LEU 63 HG LEU 63 10.328 -0.750 -36.626 536 HB2 LEU 63 HB2 LEU 63 10.939 0.614 -39.245 537 HB3 LEU 63 HB3 LEU 63 9.330 0.227 -38.639 538 HD11 LEU 63 HD11 LEU 63 12.920 0.190 -36.582 539 HD12 LEU 63 HD12 LEU 63 12.755 -0.495 -38.198 540 HD13 LEU 63 HD13 LEU 63 12.422 -1.490 -36.781 541 HD21 LEU 63 HD21 LEU 63 11.701 1.825 -36.611 542 HD22 LEU 63 HD22 LEU 63 10.356 1.249 -35.627 543 HD23 LEU 63 HD23 LEU 63 10.053 1.907 -37.235 544 H ASP 64 H ASP 64 8.505 -1.235 -41.014 545 HA ASP 64 HA ASP 64 6.390 -2.228 -39.426 546 HB2 ASP 64 HB2 ASP 64 5.893 -0.767 -41.270 547 HB3 ASP 64 HB3 ASP 64 6.649 -1.871 -42.416 548 H GLU 65 H GLU 65 6.787 -4.234 -38.583 549 HA GLU 65 HA GLU 65 6.747 -6.446 -40.509 550 HB2 GLU 65 HB2 GLU 65 8.463 -6.538 -38.034 551 HB3 GLU 65 HB3 GLU 65 8.455 -7.656 -39.389 552 HG2 GLU 65 HG2 GLU 65 9.336 -4.784 -39.545 553 HG3 GLU 65 HG3 GLU 65 10.417 -6.163 -39.353 554 H TRP 66 H TRP 66 6.638 -8.585 -38.932 555 HA TRP 66 HA TRP 66 4.282 -8.087 -37.235 556 HD1 TRP 66 HD1 TRP 66 6.653 -10.188 -40.044 557 HE1 TRP 66 HE1 TRP 66 7.635 -12.567 -40.085 558 HE3 TRP 66 HE3 TRP 66 3.339 -12.489 -36.904 559 HZ2 TRP 66 HZ2 TRP 66 7.078 -15.086 -38.939 560 HZ3 TRP 66 HZ3 TRP 66 3.633 -14.885 -36.429 561 HH2 TRP 66 HH2 TRP 66 5.464 -16.155 -37.426 562 HB2 TRP 66 HB2 TRP 66 3.470 -10.261 -37.808 563 HB3 TRP 66 HB3 TRP 66 3.951 -9.480 -39.312 564 H ILE 67 H ILE 67 4.300 -8.729 -35.157 565 HA ILE 67 HA ILE 67 6.460 -10.498 -34.248 566 HB ILE 67 HB ILE 67 6.808 -9.097 -32.254 567 HG12 ILE 67 HG12 ILE 67 5.228 -6.946 -33.658 568 HG13 ILE 67 HG13 ILE 67 4.500 -8.011 -32.461 569 HG21 ILE 67 HG21 ILE 67 7.999 -7.232 -33.405 570 HG22 ILE 67 HG22 ILE 67 8.351 -8.830 -34.061 571 HG23 ILE 67 HG23 ILE 67 7.247 -7.752 -34.913 572 HD11 ILE 67 HD11 ILE 67 5.888 -7.175 -30.743 573 HD12 ILE 67 HD12 ILE 67 6.921 -6.329 -31.895 574 HD13 ILE 67 HD13 ILE 67 5.269 -5.777 -31.622 575 H THR 68 H THR 68 6.007 -10.781 -31.677 576 HA THR 68 HA THR 68 3.281 -11.854 -31.565 577 HB THR 68 HB THR 68 4.017 -13.349 -29.864 578 HG1 THR 68 HG1 THR 68 6.356 -13.118 -29.211 579 HG21 THR 68 HG21 THR 68 5.182 -13.295 -32.399 580 HG22 THR 68 HG22 THR 68 5.087 -14.675 -31.306 581 HG23 THR 68 HG23 THR 68 6.513 -13.638 -31.294 582 H THR 69 H THR 69 2.762 -12.066 -28.954 583 HA THR 69 HA THR 69 2.247 -9.322 -28.195 584 HB THR 69 HB THR 69 0.499 -11.093 -27.993 585 HG1 THR 69 HG1 THR 69 -0.297 -10.191 -26.149 586 HG21 THR 69 HG21 THR 69 1.349 -12.123 -25.444 587 HG22 THR 69 HG22 THR 69 2.546 -12.497 -26.683 588 HG23 THR 69 HG23 THR 69 0.869 -12.999 -26.897 589 H ASP 70 H ASP 70 4.533 -11.749 -27.448 590 HA ASP 70 HA ASP 70 5.170 -11.220 -24.795 591 HB2 ASP 70 HB2 ASP 70 6.887 -12.100 -27.116 592 HB3 ASP 70 HB3 ASP 70 7.509 -11.975 -25.472 593 H ARG 71 H ARG 71 5.757 -9.344 -27.643 594 HA ARG 71 HA ARG 71 7.546 -7.547 -26.162 595 HE ARG 71 HE ARG 71 9.302 -8.947 -25.982 596 HB2 ARG 71 HB2 ARG 71 6.939 -7.688 -29.122 597 HB3 ARG 71 HB3 ARG 71 8.062 -6.563 -28.368 598 HG2 ARG 71 HG2 ARG 71 8.431 -9.497 -27.981 599 HG3 ARG 71 HG3 ARG 71 8.942 -8.735 -29.488 600 HD2 ARG 71 HD2 ARG 71 10.868 -8.496 -28.301 601 HD3 ARG 71 HD3 ARG 71 10.051 -7.017 -27.799 602 HH11 ARG 71 HH11 ARG 71 12.280 -7.503 -27.062 603 HH12 ARG 71 HH12 ARG 71 13.084 -7.711 -25.542 604 HH21 ARG 71 HH21 ARG 71 10.350 -9.227 -23.975 605 HH22 ARG 71 HH22 ARG 71 11.986 -8.693 -23.787 606 H ILE 72 H ILE 72 4.385 -7.812 -27.521 607 HA ILE 72 HA ILE 72 3.908 -4.936 -27.216 608 HB ILE 72 HB ILE 72 2.137 -7.063 -28.425 609 HG12 ILE 72 HG12 ILE 72 3.680 -4.849 -29.788 610 HG13 ILE 72 HG13 ILE 72 4.228 -6.519 -29.697 611 HG21 ILE 72 HG21 ILE 72 0.475 -5.600 -28.312 612 HG22 ILE 72 HG22 ILE 72 1.527 -4.461 -27.474 613 HG23 ILE 72 HG23 ILE 72 1.430 -4.439 -29.234 614 HD11 ILE 72 HD11 ILE 72 2.541 -5.329 -31.612 615 HD12 ILE 72 HD12 ILE 72 3.058 -7.011 -31.501 616 HD13 ILE 72 HD13 ILE 72 1.572 -6.490 -30.707 617 H ASN 73 H ASN 73 3.147 -4.248 -25.337 618 HA ASN 73 HA ASN 73 1.619 -6.103 -23.651 619 HB2 ASN 73 HB2 ASN 73 3.745 -4.836 -22.848 620 HB3 ASN 73 HB3 ASN 73 2.671 -3.445 -22.724 621 HD21 ASN 73 HD21 ASN 73 3.601 -6.466 -21.380 622 HD22 ASN 73 HD22 ASN 73 2.587 -6.405 -19.983 623 H LEU 74 H LEU 74 -0.476 -5.777 -23.226 624 HA LEU 74 HA LEU 74 -2.030 -3.988 -24.693 625 HG LEU 74 HG LEU 74 -4.274 -6.706 -23.609 626 HB2 LEU 74 HB2 LEU 74 -2.492 -5.708 -22.312 627 HB3 LEU 74 HB3 LEU 74 -3.708 -4.498 -22.716 628 HD11 LEU 74 HD11 LEU 74 -5.099 -5.908 -25.576 629 HD12 LEU 74 HD12 LEU 74 -3.582 -5.133 -26.030 630 HD13 LEU 74 HD13 LEU 74 -4.627 -4.384 -24.823 631 HD21 LEU 74 HD21 LEU 74 -2.932 -7.949 -24.977 632 HD22 LEU 74 HD22 LEU 74 -1.704 -7.168 -23.981 633 HD23 LEU 74 HD23 LEU 74 -2.062 -6.542 -25.591 634 H ASP 75 H ASP 75 -1.293 -3.861 -21.204 635 HA ASP 75 HA ASP 75 -1.530 -0.931 -21.360 636 HB2 ASP 75 HB2 ASP 75 -3.536 -1.809 -20.279 637 HB3 ASP 75 HB3 ASP 75 -2.547 -2.716 -19.139 638 H LYS 76 H LYS 76 -0.691 -3.214 -18.766 639 HA LYS 76 HA LYS 76 2.016 -2.071 -18.709 640 HB2 LYS 76 HB2 LYS 76 0.098 -2.363 -16.405 641 HB3 LYS 76 HB3 LYS 76 1.835 -2.252 -16.156 642 HG2 LYS 76 HG2 LYS 76 0.370 -0.178 -17.742 643 HG3 LYS 76 HG3 LYS 76 0.427 -0.115 -15.979 644 HD2 LYS 76 HD2 LYS 76 2.797 0.061 -15.978 645 HD3 LYS 76 HD3 LYS 76 2.892 -0.332 -17.697 646 HE2 LYS 76 HE2 LYS 76 3.177 1.974 -17.663 647 HE3 LYS 76 HE3 LYS 76 1.464 1.788 -18.032 648 HZ1 LYS 76 HZ1 LYS 76 2.418 3.362 -16.096 649 HZ2 LYS 76 HZ2 LYS 76 2.105 1.953 -15.214 650 HZ3 LYS 76 HZ3 LYS 76 0.863 2.698 -16.088 651 H GLU 77 H GLU 77 3.556 -3.416 -17.455 652 HA GLU 77 HA GLU 77 3.581 -6.053 -18.340 653 HB2 GLU 77 HB2 GLU 77 5.524 -6.359 -17.016 654 HB3 GLU 77 HB3 GLU 77 5.545 -4.678 -17.529 655 HG2 GLU 77 HG2 GLU 77 4.265 -4.413 -15.191 656 HG3 GLU 77 HG3 GLU 77 5.239 -5.839 -14.838 657 H VAL 78 H VAL 78 2.852 -7.949 -17.559 658 HA VAL 78 HA VAL 78 1.092 -7.851 -15.234 659 HB VAL 78 HB VAL 78 0.167 -8.883 -17.217 660 HG11 VAL 78 HG11 VAL 78 2.762 -9.919 -17.537 661 HG12 VAL 78 HG12 VAL 78 1.688 -11.305 -17.340 662 HG13 VAL 78 HG13 VAL 78 1.376 -10.120 -18.608 663 HG21 VAL 78 HG21 VAL 78 -0.530 -11.024 -16.283 664 HG22 VAL 78 HG22 VAL 78 0.802 -10.966 -15.128 665 HG23 VAL 78 HG23 VAL 78 -0.499 -9.780 -15.034 666 H LEU 79 H LEU 79 1.711 -8.536 -13.300 667 HA LEU 79 HA LEU 79 4.177 -10.095 -13.069 668 HG LEU 79 HG LEU 79 5.507 -9.651 -11.107 669 HB2 LEU 79 HB2 LEU 79 3.745 -7.927 -11.793 670 HB3 LEU 79 HB3 LEU 79 2.621 -8.867 -10.813 671 HD11 LEU 79 HD11 LEU 79 6.054 -8.424 -9.145 672 HD12 LEU 79 HD12 LEU 79 4.376 -7.939 -8.905 673 HD13 LEU 79 HD13 LEU 79 5.291 -7.300 -10.270 674 HD21 LEU 79 HD21 LEU 79 4.635 -10.363 -8.623 675 HD22 LEU 79 HD22 LEU 79 4.656 -11.422 -10.033 676 HD23 LEU 79 HD23 LEU 79 3.176 -10.569 -9.593 677 H TYR 80 H TYR 80 4.133 -12.194 -12.628 678 HA TYR 80 HA TYR 80 1.755 -13.313 -11.304 679 HD1 TYR 80 HD1 TYR 80 -0.048 -14.455 -11.807 680 HD2 TYR 80 HD2 TYR 80 1.694 -13.713 -15.617 681 HE1 TYR 80 HE1 TYR 80 -2.285 -14.044 -12.743 682 HE2 TYR 80 HE2 TYR 80 -0.539 -13.299 -16.563 683 HH TYR 80 HH TYR 80 -3.255 -14.253 -15.351 684 HB2 TYR 80 HB2 TYR 80 3.081 -14.163 -13.838 685 HB3 TYR 80 HB3 TYR 80 2.411 -15.409 -12.791 686 HA PRO 81 HA PRO 81 4.463 -15.387 -8.545 687 HB2 PRO 81 HB2 PRO 81 3.210 -17.768 -8.186 688 HB3 PRO 81 HB3 PRO 81 2.597 -16.251 -7.519 689 HG2 PRO 81 HG2 PRO 81 1.752 -17.711 -9.992 690 HG3 PRO 81 HG3 PRO 81 0.749 -16.923 -8.760 691 HD2 PRO 81 HD2 PRO 81 1.312 -15.761 -11.140 692 HD3 PRO 81 HD3 PRO 81 1.081 -14.824 -9.650 693 H LYS 82 H LYS 82 6.103 -16.928 -8.393 694 HA LYS 82 HA LYS 82 6.392 -18.928 -10.477 695 HB2 LYS 82 HB2 LYS 82 8.218 -16.554 -10.195 696 HB3 LYS 82 HB3 LYS 82 8.795 -18.070 -10.876 697 HG2 LYS 82 HG2 LYS 82 6.569 -17.720 -12.342 698 HG3 LYS 82 HG3 LYS 82 6.998 -16.039 -12.019 699 HD2 LYS 82 HD2 LYS 82 9.091 -17.959 -12.954 700 HD3 LYS 82 HD3 LYS 82 7.967 -17.250 -14.116 701 HE2 LYS 82 HE2 LYS 82 8.652 -15.010 -12.936 702 HE3 LYS 82 HE3 LYS 82 10.073 -15.937 -12.457 703 HZ1 LYS 82 HZ1 LYS 82 9.263 -15.996 -15.271 704 HZ2 LYS 82 HZ2 LYS 82 10.809 -16.092 -14.592 705 HZ3 LYS 82 HZ3 LYS 82 10.020 -14.600 -14.690 706 H LEU 83 H LEU 83 7.792 -20.599 -9.931 707 HA LEU 83 HA LEU 83 8.748 -20.542 -7.147 708 HG LEU 83 HG LEU 83 6.052 -21.499 -7.907 709 HB2 LEU 83 HB2 LEU 83 7.981 -22.903 -8.858 710 HB3 LEU 83 HB3 LEU 83 8.562 -22.988 -7.196 711 HD11 LEU 83 HD11 LEU 83 4.797 -23.358 -8.012 712 HD12 LEU 83 HD12 LEU 83 5.773 -24.213 -6.818 713 HD13 LEU 83 HD13 LEU 83 6.308 -24.128 -8.496 714 HD21 LEU 83 HD21 LEU 83 6.377 -20.960 -5.748 715 HD22 LEU 83 HD22 LEU 83 7.475 -22.312 -5.466 716 HD23 LEU 83 HD23 LEU 83 5.730 -22.573 -5.442 717 H LYS 84 H LYS 84 10.596 -22.178 -6.795 718 HA LYS 84 HA LYS 84 12.640 -21.615 -8.823 719 HB2 LYS 84 HB2 LYS 84 13.214 -20.835 -6.615 720 HB3 LYS 84 HB3 LYS 84 12.858 -22.409 -5.916 721 HG2 LYS 84 HG2 LYS 84 14.755 -23.392 -6.959 722 HG3 LYS 84 HG3 LYS 84 15.035 -21.951 -7.940 723 HD2 LYS 84 HD2 LYS 84 15.532 -20.668 -5.920 724 HD3 LYS 84 HD3 LYS 84 15.233 -22.100 -4.931 725 HE2 LYS 84 HE2 LYS 84 17.096 -23.243 -5.953 726 HE3 LYS 84 HE3 LYS 84 17.346 -21.906 -7.074 727 HZ1 LYS 84 HZ1 LYS 84 17.440 -20.731 -4.621 728 HZ2 LYS 84 HZ2 LYS 84 18.777 -21.142 -5.573 729 HZ3 LYS 84 HZ3 LYS 84 18.237 -22.202 -4.371 730 H ALA 85 H ALA 85 13.927 -23.222 -9.698 731 HA ALA 85 HA ALA 85 13.057 -25.990 -9.173 732 HB1 ALA 85 HB1 ALA 85 12.828 -24.557 -11.567 733 HB2 ALA 85 HB2 ALA 85 14.162 -25.686 -11.807 734 HB3 ALA 85 HB3 ALA 85 12.577 -26.286 -11.320 735 H THR 86 H THR 86 14.675 -27.644 -9.626 736 HA THR 86 HA THR 86 17.377 -26.671 -8.997 737 HB THR 86 HB THR 86 17.854 -28.855 -8.084 738 HG1 THR 86 HG1 THR 86 15.251 -29.538 -9.026 739 HG21 THR 86 HG21 THR 86 16.637 -28.666 -6.144 740 HG22 THR 86 HG22 THR 86 15.125 -28.352 -6.993 741 HG23 THR 86 HG23 THR 86 16.339 -27.080 -6.856 742 H ASP 87 H ASP 87 19.142 -27.291 -10.189 743 HA ASP 87 HA ASP 87 18.651 -28.956 -12.562 744 HB2 ASP 87 HB2 ASP 87 19.789 -26.194 -12.429 745 HB3 ASP 87 HB3 ASP 87 20.400 -27.307 -13.650 746 H GLU 88 H GLU 88 20.828 -29.534 -13.631 747 HA GLU 88 HA GLU 88 23.102 -29.671 -11.873 748 HB2 GLU 88 HB2 GLU 88 23.188 -32.166 -11.876 749 HB3 GLU 88 HB3 GLU 88 21.872 -31.498 -10.921 750 HG2 GLU 88 HG2 GLU 88 20.918 -33.287 -12.062 751 HG3 GLU 88 HG3 GLU 88 20.415 -31.867 -12.976 752 H ASP 89 H ASP 89 24.940 -30.815 -12.900 753 HA ASP 89 HA ASP 89 24.785 -30.548 -15.827 754 HB2 ASP 89 HB2 ASP 89 26.984 -30.067 -13.847 755 HB3 ASP 89 HB3 ASP 89 27.384 -30.460 -15.517 Start of MODEL 2 1 HA MET -4 HA MET -4 -17.326 -1.876 3.561 2 H1 MET -4 H1 MET -4 -18.144 0.908 3.251 3 HB2 MET -4 HB2 MET -4 -17.876 -0.120 1.182 4 HB3 MET -4 HB3 MET -4 -17.067 -1.672 1.005 5 HG2 MET -4 HG2 MET -4 -18.999 -2.776 2.043 6 HG3 MET -4 HG3 MET -4 -19.810 -1.216 2.156 7 HE1 MET -4 HE1 MET -4 -21.472 -0.640 -0.970 8 HE2 MET -4 HE2 MET -4 -22.066 -1.686 0.319 9 HE3 MET -4 HE3 MET -4 -21.123 -0.250 0.715 10 H GLY -3 H GLY -3 -15.290 -2.199 4.185 11 HA2 GLY -3 HA2 GLY -3 -13.177 -0.655 2.826 12 HA3 GLY -3 HA3 GLY -3 -13.139 -0.871 4.570 13 H SER -2 H SER -2 -12.089 -2.078 1.638 14 HA SER -2 HA SER -2 -10.792 -4.305 2.909 15 HG SER -2 HG SER -2 -12.815 -5.428 -0.244 16 HB2 SER -2 HB2 SER -2 -11.720 -6.039 1.426 17 HB3 SER -2 HB3 SER -2 -12.978 -5.314 2.427 18 H SER -1 H SER -1 -9.214 -5.331 1.526 19 HA SER -1 HA SER -1 -8.363 -3.550 -0.654 20 HG SER -1 HG SER -1 -5.900 -3.637 1.939 21 HB2 SER -1 HB2 SER -1 -6.736 -5.484 1.014 22 HB3 SER -1 HB3 SER -1 -6.096 -4.466 -0.276 23 H HIS 0 H HIS 0 -7.603 -4.421 -2.609 24 HA HIS 0 HA HIS 0 -8.717 -7.063 -3.220 25 HD1 HIS 0 HD1 HIS 0 -9.016 -2.865 -4.762 26 HD2 HIS 0 HD2 HIS 0 -11.405 -6.235 -4.315 27 HE1 HIS 0 HE1 HIS 0 -11.348 -1.994 -4.401 28 HB2 HIS 0 HB2 HIS 0 -7.755 -4.963 -5.167 29 HB3 HIS 0 HB3 HIS 0 -8.721 -6.390 -5.531 30 H HIS 1 H HIS 1 -6.493 -7.388 -1.811 31 HA HIS 1 HA HIS 1 -4.227 -7.653 -3.629 32 HD1 HIS 1 HD1 HIS 1 -2.730 -6.379 0.589 33 HD2 HIS 1 HD2 HIS 1 -4.038 -5.348 -3.218 34 HE1 HIS 1 HE1 HIS 1 -2.248 -3.922 0.354 35 HB2 HIS 1 HB2 HIS 1 -4.506 -8.076 -0.651 36 HB3 HIS 1 HB3 HIS 1 -3.021 -8.396 -1.542 37 H HIS 2 H HIS 2 -3.947 -9.452 -4.752 38 HA HIS 2 HA HIS 2 -4.167 -12.040 -3.558 39 HD1 HIS 2 HD1 HIS 2 -6.962 -9.285 -4.803 40 HD2 HIS 2 HD2 HIS 2 -6.339 -12.117 -7.778 41 HE1 HIS 2 HE1 HIS 2 -7.819 -8.234 -6.921 42 HB2 HIS 2 HB2 HIS 2 -5.876 -12.889 -5.199 43 HB3 HIS 2 HB3 HIS 2 -6.513 -11.798 -3.972 44 H HIS 3 H HIS 3 -2.535 -13.147 -4.390 45 HA HIS 3 HA HIS 3 -1.781 -12.649 -7.196 46 HD1 HIS 3 HD1 HIS 3 1.238 -15.201 -5.341 47 HD2 HIS 3 HD2 HIS 3 -0.449 -12.311 -2.878 48 HE1 HIS 3 HE1 HIS 3 1.692 -15.972 -2.991 49 HB2 HIS 3 HB2 HIS 3 0.546 -13.077 -6.582 50 HB3 HIS 3 HB3 HIS 3 -0.108 -11.749 -5.628 51 H HIS 4 H HIS 4 -0.861 -14.448 -8.346 52 HA HIS 4 HA HIS 4 -1.120 -17.090 -7.177 53 HD1 HIS 4 HD1 HIS 4 -2.863 -18.591 -10.887 54 HD2 HIS 4 HD2 HIS 4 -3.024 -19.112 -6.768 55 HE1 HIS 4 HE1 HIS 4 -3.278 -21.047 -10.535 56 HB2 HIS 4 HB2 HIS 4 -3.400 -16.440 -8.080 57 HB3 HIS 4 HB3 HIS 4 -2.674 -16.444 -9.684 58 H HIS 5 H HIS 5 0.191 -18.585 -8.131 59 HA HIS 5 HA HIS 5 1.732 -17.672 -10.473 60 HD1 HIS 5 HD1 HIS 5 1.834 -18.681 -6.308 61 HD2 HIS 5 HD2 HIS 5 3.546 -21.551 -8.777 62 HE1 HIS 5 HE1 HIS 5 1.868 -20.800 -4.953 63 HB2 HIS 5 HB2 HIS 5 3.645 -18.915 -9.598 64 HB3 HIS 5 HB3 HIS 5 3.088 -17.733 -8.418 65 H SER 6 H SER 6 1.900 -19.008 -12.186 66 HA SER 6 HA SER 6 1.656 -21.808 -12.119 67 HG SER 6 HG SER 6 -0.779 -23.059 -13.053 68 HB2 SER 6 HB2 SER 6 -0.670 -21.506 -11.610 69 HB3 SER 6 HB3 SER 6 -0.850 -20.295 -12.879 70 H SER 7 H SER 7 2.951 -22.318 -13.743 71 HA SER 7 HA SER 7 3.171 -20.559 -16.051 72 HG SER 7 HG SER 7 5.989 -22.087 -17.128 73 HB2 SER 7 HB2 SER 7 5.120 -21.727 -14.722 74 HB3 SER 7 HB3 SER 7 4.740 -23.096 -15.767 75 H GLY 8 H GLY 8 3.601 -21.863 -18.201 76 HA2 GLY 8 HA2 GLY 8 2.184 -24.267 -18.648 77 HA3 GLY 8 HA3 GLY 8 1.150 -22.902 -19.042 78 H LEU 9 H LEU 9 1.056 -22.945 -21.210 79 HA LEU 9 HA LEU 9 3.586 -23.116 -22.701 80 HG LEU 9 HG LEU 9 2.075 -25.444 -25.033 81 HB2 LEU 9 HB2 LEU 9 1.032 -24.319 -23.071 82 HB3 LEU 9 HB3 LEU 9 1.352 -23.255 -24.440 83 HD11 LEU 9 HD11 LEU 9 4.175 -24.950 -25.803 84 HD12 LEU 9 HD12 LEU 9 4.678 -24.205 -24.286 85 HD13 LEU 9 HD13 LEU 9 3.600 -23.337 -25.379 86 HD21 LEU 9 HD21 LEU 9 2.876 -26.932 -23.588 87 HD22 LEU 9 HD22 LEU 9 2.597 -25.744 -22.316 88 HD23 LEU 9 HD23 LEU 9 4.177 -25.848 -23.093 89 H VAL 10 H VAL 10 0.779 -21.151 -22.085 90 HA VAL 10 HA VAL 10 1.823 -19.109 -23.937 91 HB VAL 10 HB VAL 10 -0.540 -18.137 -23.737 92 HG11 VAL 10 HG11 VAL 10 0.534 -20.237 -25.381 93 HG12 VAL 10 HG12 VAL 10 -1.214 -20.416 -25.215 94 HG13 VAL 10 HG13 VAL 10 -0.535 -18.905 -25.822 95 HG21 VAL 10 HG21 VAL 10 -0.912 -19.968 -21.817 96 HG22 VAL 10 HG22 VAL 10 -2.229 -19.313 -22.791 97 HG23 VAL 10 HG23 VAL 10 -1.520 -20.875 -23.201 98 HA PRO 11 HA PRO 11 2.562 -16.365 -20.591 99 HB2 PRO 11 HB2 PRO 11 1.954 -13.969 -21.712 100 HB3 PRO 11 HB3 PRO 11 3.403 -14.888 -22.137 101 HG2 PRO 11 HG2 PRO 11 0.785 -14.704 -23.578 102 HG3 PRO 11 HG3 PRO 11 2.431 -14.669 -24.238 103 HD2 PRO 11 HD2 PRO 11 0.887 -16.892 -24.294 104 HD3 PRO 11 HD3 PRO 11 2.654 -16.961 -24.142 105 H ARG 12 H ARG 12 1.573 -14.984 -19.039 106 HA ARG 12 HA ARG 12 -1.262 -15.460 -18.744 107 HE ARG 12 HE ARG 12 1.295 -17.463 -13.947 108 HB2 ARG 12 HB2 ARG 12 0.627 -13.926 -16.949 109 HB3 ARG 12 HB3 ARG 12 -0.996 -14.463 -16.535 110 HG2 ARG 12 HG2 ARG 12 0.080 -16.819 -17.203 111 HG3 ARG 12 HG3 ARG 12 1.533 -15.978 -16.658 112 HD2 ARG 12 HD2 ARG 12 -0.442 -15.381 -14.767 113 HD3 ARG 12 HD3 ARG 12 -0.624 -17.100 -15.115 114 HH11 ARG 12 HH11 ARG 12 1.285 -14.158 -15.042 115 HH12 ARG 12 HH12 ARG 12 2.756 -13.746 -14.225 116 HH21 ARG 12 HH21 ARG 12 3.232 -16.933 -12.867 117 HH22 ARG 12 HH22 ARG 12 3.863 -15.325 -12.989 118 H GLY 13 H GLY 13 -2.529 -13.492 -17.753 119 HA2 GLY 13 HA2 GLY 13 -2.066 -10.863 -18.337 120 HA3 GLY 13 HA3 GLY 13 -2.666 -11.532 -19.848 121 H SER 14 H SER 14 -3.491 -10.297 -16.793 122 HA SER 14 HA SER 14 -6.300 -11.099 -17.186 123 HG SER 14 HG SER 14 -7.180 -10.846 -13.995 124 HB2 SER 14 HB2 SER 14 -4.939 -11.784 -15.035 125 HB3 SER 14 HB3 SER 14 -5.293 -10.129 -14.538 126 H HIS 15 H HIS 15 -4.849 -8.809 -18.355 127 HA HIS 15 HA HIS 15 -6.457 -6.633 -17.185 128 HD1 HIS 15 HD1 HIS 15 -3.483 -7.657 -15.724 129 HD2 HIS 15 HD2 HIS 15 -4.493 -3.648 -16.132 130 HE1 HIS 15 HE1 HIS 15 -3.009 -6.613 -13.486 131 HB2 HIS 15 HB2 HIS 15 -3.666 -6.646 -18.273 132 HB3 HIS 15 HB3 HIS 15 -4.627 -5.173 -18.366 133 H MET 16 H MET 16 -4.651 -7.025 -20.227 134 HA MET 16 HA MET 16 -7.128 -6.340 -21.667 135 HB2 MET 16 HB2 MET 16 -4.251 -5.664 -22.224 136 HB3 MET 16 HB3 MET 16 -5.465 -5.605 -23.495 137 HG2 MET 16 HG2 MET 16 -6.071 -4.173 -20.979 138 HG3 MET 16 HG3 MET 16 -4.818 -3.496 -22.016 139 HE1 MET 16 HE1 MET 16 -6.169 -3.679 -25.269 140 HE2 MET 16 HE2 MET 16 -6.285 -1.975 -24.827 141 HE3 MET 16 HE3 MET 16 -4.946 -2.953 -24.225 142 H SER 17 H SER 17 -7.358 -7.270 -23.827 143 HA SER 17 HA SER 17 -5.846 -9.738 -24.273 144 HG SER 17 HG SER 17 -7.861 -12.051 -23.752 145 HB2 SER 17 HB2 SER 17 -8.083 -10.107 -23.004 146 HB3 SER 17 HB3 SER 17 -8.840 -9.764 -24.559 147 H VAL 18 H VAL 18 -6.168 -10.627 -26.453 148 HA VAL 18 HA VAL 18 -5.854 -8.689 -28.442 149 HB VAL 18 HB VAL 18 -6.646 -11.586 -28.777 150 HG11 VAL 18 HG11 VAL 18 -5.661 -11.339 -31.035 151 HG12 VAL 18 HG12 VAL 18 -7.106 -10.354 -30.799 152 HG13 VAL 18 HG13 VAL 18 -5.510 -9.606 -30.747 153 HG21 VAL 18 HG21 VAL 18 -4.012 -10.198 -28.457 154 HG22 VAL 18 HG22 VAL 18 -4.614 -11.649 -27.655 155 HG23 VAL 18 HG23 VAL 18 -4.126 -11.716 -29.349 156 H ASP 19 H ASP 19 -8.696 -10.511 -27.425 157 HA ASP 19 HA ASP 19 -10.414 -9.814 -29.523 158 HB2 ASP 19 HB2 ASP 19 -10.918 -11.568 -27.859 159 HB3 ASP 19 HB3 ASP 19 -11.125 -10.327 -26.626 160 H ASP 20 H ASP 20 -9.167 -7.946 -26.932 161 HA ASP 20 HA ASP 20 -11.215 -5.878 -27.283 162 HB2 ASP 20 HB2 ASP 20 -9.148 -6.414 -25.170 163 HB3 ASP 20 HB3 ASP 20 -9.871 -4.815 -25.327 164 H ILE 21 H ILE 21 -9.045 -6.538 -29.227 165 HA ILE 21 HA ILE 21 -7.736 -3.896 -29.286 166 HB ILE 21 HB ILE 21 -6.702 -6.489 -30.440 167 HG12 ILE 21 HG12 ILE 21 -5.725 -4.826 -28.108 168 HG13 ILE 21 HG13 ILE 21 -6.524 -6.390 -27.993 169 HG21 ILE 21 HG21 ILE 21 -6.101 -4.580 -31.821 170 HG22 ILE 21 HG22 ILE 21 -5.477 -3.735 -30.406 171 HG23 ILE 21 HG23 ILE 21 -4.685 -5.203 -30.976 172 HD11 ILE 21 HD11 ILE 21 -4.581 -7.249 -29.435 173 HD12 ILE 21 HD12 ILE 21 -3.777 -5.747 -28.979 174 HD13 ILE 21 HD13 ILE 21 -4.279 -6.893 -27.735 175 H ILE 22 H ILE 22 -7.956 -2.674 -31.078 176 HA ILE 22 HA ILE 22 -9.593 -3.786 -33.254 177 HB ILE 22 HB ILE 22 -10.265 -1.531 -33.788 178 HG12 ILE 22 HG12 ILE 22 -8.430 -0.672 -31.539 179 HG13 ILE 22 HG13 ILE 22 -8.156 -0.392 -33.255 180 HG21 ILE 22 HG21 ILE 22 -10.517 -1.591 -30.816 181 HG22 ILE 22 HG22 ILE 22 -11.727 -1.211 -32.040 182 HG23 ILE 22 HG23 ILE 22 -11.235 -2.884 -31.776 183 HD11 ILE 22 HD11 ILE 22 -8.976 1.609 -32.176 184 HD12 ILE 22 HD12 ILE 22 -10.160 1.007 -33.336 185 HD13 ILE 22 HD13 ILE 22 -10.403 0.743 -31.609 186 H ILE 23 H ILE 23 -9.164 -2.116 -35.289 187 HA ILE 23 HA ILE 23 -6.398 -2.702 -36.019 188 HB ILE 23 HB ILE 23 -8.581 -1.646 -37.812 189 HG12 ILE 23 HG12 ILE 23 -9.305 -3.765 -36.829 190 HG13 ILE 23 HG13 ILE 23 -8.907 -3.983 -38.530 191 HG21 ILE 23 HG21 ILE 23 -6.389 -1.326 -38.729 192 HG22 ILE 23 HG22 ILE 23 -5.939 -2.989 -38.354 193 HG23 ILE 23 HG23 ILE 23 -7.160 -2.662 -39.583 194 HD11 ILE 23 HD11 ILE 23 -6.566 -4.489 -37.025 195 HD12 ILE 23 HD12 ILE 23 -7.898 -5.371 -36.278 196 HD13 ILE 23 HD13 ILE 23 -7.526 -5.614 -37.985 197 H LYS 24 H LYS 24 -5.007 -1.148 -36.929 198 HA LYS 24 HA LYS 24 -3.962 0.871 -37.021 199 HB2 LYS 24 HB2 LYS 24 -6.822 1.730 -37.441 200 HB3 LYS 24 HB3 LYS 24 -5.475 2.857 -37.519 201 HG2 LYS 24 HG2 LYS 24 -5.465 0.385 -39.197 202 HG3 LYS 24 HG3 LYS 24 -6.387 1.806 -39.696 203 HD2 LYS 24 HD2 LYS 24 -3.535 2.128 -38.873 204 HD3 LYS 24 HD3 LYS 24 -3.904 1.485 -40.475 205 HE2 LYS 24 HE2 LYS 24 -3.829 3.714 -40.961 206 HE3 LYS 24 HE3 LYS 24 -5.535 3.559 -40.546 207 HZ1 LYS 24 HZ1 LYS 24 -5.282 4.880 -38.789 208 HZ2 LYS 24 HZ2 LYS 24 -3.778 5.309 -39.433 209 HZ3 LYS 24 HZ3 LYS 24 -3.882 4.088 -38.267 210 H CYS 25 H CYS 25 -4.398 -0.123 -34.459 211 HA CYS 25 HA CYS 25 -5.135 2.239 -32.878 212 HG CYS 25 HG CYS 25 -6.024 0.203 -29.534 213 HB2 CYS 25 HB2 CYS 25 -6.024 -0.239 -32.512 214 HB3 CYS 25 HB3 CYS 25 -4.527 -0.387 -31.600 215 H GLN 26 H GLN 26 -3.794 2.667 -30.929 216 HA GLN 26 HA GLN 26 -0.979 2.594 -31.674 217 HB2 GLN 26 HB2 GLN 26 -0.680 4.242 -29.873 218 HB3 GLN 26 HB3 GLN 26 -1.915 4.745 -31.020 219 HG2 GLN 26 HG2 GLN 26 -3.211 3.287 -28.979 220 HG3 GLN 26 HG3 GLN 26 -2.110 4.424 -28.202 221 HE21 GLN 26 HE21 GLN 26 -5.131 4.219 -28.643 222 HE22 GLN 26 HE22 GLN 26 -5.568 5.803 -29.177 223 H CYS 27 H CYS 27 0.491 1.326 -30.738 224 HA CYS 27 HA CYS 27 -0.269 -0.082 -28.264 225 HG CYS 27 HG CYS 27 -0.999 -2.371 -28.222 226 HB2 CYS 27 HB2 CYS 27 0.761 -1.084 -30.821 227 HB3 CYS 27 HB3 CYS 27 1.647 -1.680 -29.422 228 H TRP 28 H TRP 28 0.967 0.365 -26.574 229 HA TRP 28 HA TRP 28 3.376 1.905 -26.878 230 HD1 TRP 28 HD1 TRP 28 0.145 2.976 -24.212 231 HE1 TRP 28 HE1 TRP 28 0.344 5.537 -24.366 232 HE3 TRP 28 HE3 TRP 28 4.996 3.320 -25.789 233 HZ2 TRP 28 HZ2 TRP 28 2.299 7.450 -25.064 234 HZ3 TRP 28 HZ3 TRP 28 5.955 5.552 -26.177 235 HH2 TRP 28 HH2 TRP 28 4.632 7.574 -25.822 236 HB2 TRP 28 HB2 TRP 28 1.687 0.987 -24.607 237 HB3 TRP 28 HB3 TRP 28 3.371 1.369 -24.258 238 H VAL 29 H VAL 29 5.352 1.116 -27.133 239 HA VAL 29 HA VAL 29 5.833 -1.718 -26.553 240 HB VAL 29 HB VAL 29 7.514 0.216 -28.155 241 HG11 VAL 29 HG11 VAL 29 9.124 -1.307 -28.044 242 HG12 VAL 29 HG12 VAL 29 8.105 -2.343 -27.044 243 HG13 VAL 29 HG13 VAL 29 8.049 -2.481 -28.801 244 HG21 VAL 29 HG21 VAL 29 5.546 -0.119 -29.394 245 HG22 VAL 29 HG22 VAL 29 6.705 -1.265 -30.067 246 HG23 VAL 29 HG23 VAL 29 5.457 -1.825 -28.954 247 H GLN 30 H GLN 30 6.652 -2.120 -24.609 248 HA GLN 30 HA GLN 30 8.322 -0.130 -23.284 249 HB2 GLN 30 HB2 GLN 30 6.488 -1.186 -22.020 250 HB3 GLN 30 HB3 GLN 30 7.237 -2.760 -22.260 251 HG2 GLN 30 HG2 GLN 30 9.175 -2.051 -20.975 252 HG3 GLN 30 HG3 GLN 30 8.460 -0.455 -20.760 253 HE21 GLN 30 HE21 GLN 30 8.975 -3.318 -19.290 254 HE22 GLN 30 HE22 GLN 30 7.678 -3.310 -18.149 255 H LYS 31 H LYS 31 10.349 -0.202 -24.092 256 HA LYS 31 HA LYS 31 11.657 -2.679 -24.738 257 HB2 LYS 31 HB2 LYS 31 11.987 -0.089 -25.549 258 HB3 LYS 31 HB3 LYS 31 13.334 -0.280 -24.434 259 HG2 LYS 31 HG2 LYS 31 14.127 -0.823 -26.598 260 HG3 LYS 31 HG3 LYS 31 13.978 -2.339 -25.705 261 HD2 LYS 31 HD2 LYS 31 13.100 -2.715 -27.887 262 HD3 LYS 31 HD3 LYS 31 11.728 -2.638 -26.779 263 HE2 LYS 31 HE2 LYS 31 11.307 -1.394 -28.851 264 HE3 LYS 31 HE3 LYS 31 11.297 -0.341 -27.437 265 HZ1 LYS 31 HZ1 LYS 31 13.890 -0.559 -28.631 266 HZ2 LYS 31 HZ2 LYS 31 13.002 0.823 -28.226 267 HZ3 LYS 31 HZ3 LYS 31 12.739 0.054 -29.709 268 H ASN 32 H ASN 32 13.841 -3.186 -23.823 269 HA ASN 32 HA ASN 32 13.715 -3.780 -21.135 270 HB2 ASN 32 HB2 ASN 32 16.002 -3.541 -23.062 271 HB3 ASN 32 HB3 ASN 32 16.319 -3.872 -21.362 272 HD21 ASN 32 HD21 ASN 32 15.337 -5.767 -20.427 273 HD22 ASN 32 HD22 ASN 32 15.021 -7.142 -21.425 274 H ASP 33 H ASP 33 15.777 -1.239 -22.561 275 HA ASP 33 HA ASP 33 15.472 0.275 -20.052 276 HB2 ASP 33 HB2 ASP 33 17.929 -0.294 -21.672 277 HB3 ASP 33 HB3 ASP 33 17.827 1.190 -20.730 278 H GLU 34 H GLU 34 14.125 0.341 -22.767 279 HA GLU 34 HA GLU 34 14.386 3.233 -23.141 280 HB2 GLU 34 HB2 GLU 34 14.727 1.128 -25.252 281 HB3 GLU 34 HB3 GLU 34 14.088 2.710 -25.677 282 HG2 GLU 34 HG2 GLU 34 16.765 2.110 -24.444 283 HG3 GLU 34 HG3 GLU 34 16.448 2.673 -26.084 284 H GLU 35 H GLU 35 12.595 3.873 -24.891 285 HA GLU 35 HA GLU 35 10.143 2.349 -24.398 286 HB2 GLU 35 HB2 GLU 35 10.557 5.269 -23.766 287 HB3 GLU 35 HB3 GLU 35 8.961 4.565 -23.986 288 HG2 GLU 35 HG2 GLU 35 9.091 4.341 -21.751 289 HG3 GLU 35 HG3 GLU 35 9.923 2.849 -22.187 290 H ARG 36 H ARG 36 9.138 1.999 -26.255 291 HA ARG 36 HA ARG 36 9.302 4.038 -28.368 292 HE ARG 36 HE ARG 36 13.433 2.406 -30.257 293 HB2 ARG 36 HB2 ARG 36 10.227 1.267 -28.443 294 HB3 ARG 36 HB3 ARG 36 9.111 1.651 -29.746 295 HG2 ARG 36 HG2 ARG 36 11.337 2.030 -30.517 296 HG3 ARG 36 HG3 ARG 36 10.544 3.594 -30.324 297 HD2 ARG 36 HD2 ARG 36 11.920 4.231 -28.654 298 HD3 ARG 36 HD3 ARG 36 11.994 2.612 -27.960 299 HH11 ARG 36 HH11 ARG 36 13.553 4.520 -27.494 300 HH12 ARG 36 HH12 ARG 36 15.263 4.774 -27.599 301 HH21 ARG 36 HH21 ARG 36 15.685 2.734 -30.406 302 HH22 ARG 36 HH22 ARG 36 16.475 3.759 -29.256 303 H LEU 37 H LEU 37 7.624 3.594 -30.120 304 HA LEU 37 HA LEU 37 5.201 2.344 -29.052 305 HG LEU 37 HG LEU 37 3.250 3.841 -30.742 306 HB2 LEU 37 HB2 LEU 37 4.983 4.661 -28.451 307 HB3 LEU 37 HB3 LEU 37 5.407 5.166 -30.086 308 HD11 LEU 37 HD11 LEU 37 1.878 4.659 -28.395 309 HD12 LEU 37 HD12 LEU 37 3.206 3.602 -27.920 310 HD13 LEU 37 HD13 LEU 37 2.011 3.043 -29.090 311 HD21 LEU 37 HD21 LEU 37 2.066 5.854 -30.767 312 HD22 LEU 37 HD22 LEU 37 3.757 6.352 -30.800 313 HD23 LEU 37 HD23 LEU 37 2.842 6.437 -29.294 314 H ALA 38 H ALA 38 3.850 1.470 -30.579 315 HA ALA 38 HA ALA 38 4.512 1.888 -33.406 316 HB1 ALA 38 HB1 ALA 38 4.677 -0.405 -33.900 317 HB2 ALA 38 HB2 ALA 38 5.666 -0.167 -32.459 318 HB3 ALA 38 HB3 ALA 38 4.056 -0.875 -32.318 319 H GLU 39 H GLU 39 2.820 0.614 -34.790 320 HA GLU 39 HA GLU 39 0.168 1.036 -33.575 321 HB2 GLU 39 HB2 GLU 39 1.128 2.556 -35.553 322 HB3 GLU 39 HB3 GLU 39 0.494 1.235 -36.524 323 HG2 GLU 39 HG2 GLU 39 -1.695 1.545 -35.344 324 HG3 GLU 39 HG3 GLU 39 -1.019 3.007 -34.628 325 H ILE 40 H ILE 40 -1.561 -0.300 -34.396 326 HA ILE 40 HA ILE 40 -0.594 -2.967 -35.134 327 HB ILE 40 HB ILE 40 -3.286 -2.130 -34.048 328 HG12 ILE 40 HG12 ILE 40 -1.433 -1.899 -32.426 329 HG13 ILE 40 HG13 ILE 40 -2.560 -3.171 -31.967 330 HG21 ILE 40 HG21 ILE 40 -2.133 -4.846 -34.658 331 HG22 ILE 40 HG22 ILE 40 -3.592 -4.581 -33.704 332 HG23 ILE 40 HG23 ILE 40 -3.544 -4.089 -35.397 333 HD11 ILE 40 HD11 ILE 40 -0.942 -4.677 -31.948 334 HD12 ILE 40 HD12 ILE 40 -0.433 -4.237 -33.579 335 HD13 ILE 40 HD13 ILE 40 0.205 -3.359 -32.188 336 H LEU 41 H LEU 41 -0.821 -3.658 -37.148 337 HA LEU 41 HA LEU 41 -2.688 -2.267 -38.927 338 HG LEU 41 HG LEU 41 0.323 -1.708 -39.038 339 HB2 LEU 41 HB2 LEU 41 -0.301 -4.021 -39.442 340 HB3 LEU 41 HB3 LEU 41 -1.409 -3.521 -40.718 341 HD11 LEU 41 HD11 LEU 41 1.523 -3.023 -40.744 342 HD12 LEU 41 HD12 LEU 41 1.524 -1.294 -41.089 343 HD13 LEU 41 HD13 LEU 41 0.444 -2.368 -41.977 344 HD21 LEU 41 HD21 LEU 41 -2.022 -1.202 -40.709 345 HD22 LEU 41 HD22 LEU 41 -0.611 -0.235 -41.141 346 HD23 LEU 41 HD23 LEU 41 -1.247 -0.180 -39.497 347 H SER 42 H SER 42 -1.894 -5.439 -37.654 348 HA SER 42 HA SER 42 -4.531 -6.406 -38.140 349 HG SER 42 HG SER 42 -3.714 -6.542 -41.374 350 HB2 SER 42 HB2 SER 42 -2.313 -7.223 -39.977 351 HB3 SER 42 HB3 SER 42 -3.541 -8.410 -39.538 352 H ILE 43 H ILE 43 -4.613 -8.857 -37.627 353 HA ILE 43 HA ILE 43 -2.545 -9.617 -35.696 354 HB ILE 43 HB ILE 43 -5.486 -9.774 -35.041 355 HG12 ILE 43 HG12 ILE 43 -3.398 -7.829 -34.032 356 HG13 ILE 43 HG13 ILE 43 -4.743 -7.433 -35.096 357 HG21 ILE 43 HG21 ILE 43 -4.852 -10.570 -32.934 358 HG22 ILE 43 HG22 ILE 43 -3.818 -11.443 -34.063 359 HG23 ILE 43 HG23 ILE 43 -3.174 -10.076 -33.154 360 HD11 ILE 43 HD11 ILE 43 -5.905 -8.660 -32.884 361 HD12 ILE 43 HD12 ILE 43 -4.659 -7.598 -32.230 362 HD13 ILE 43 HD13 ILE 43 -5.912 -6.943 -33.285 363 H ASN 44 H ASN 44 -2.004 -11.706 -35.818 364 HA ASN 44 HA ASN 44 -3.615 -13.434 -37.553 365 HB2 ASN 44 HB2 ASN 44 -0.744 -13.175 -36.969 366 HB3 ASN 44 HB3 ASN 44 -1.318 -14.838 -37.055 367 HD21 ASN 44 HD21 ASN 44 -0.479 -12.040 -38.796 368 HD22 ASN 44 HD22 ASN 44 -0.841 -12.631 -40.378 369 H THR 45 H THR 45 -4.798 -15.021 -36.726 370 HA THR 45 HA THR 45 -4.328 -15.804 -33.929 371 HB THR 45 HB THR 45 -6.625 -16.433 -33.768 372 HG1 THR 45 HG1 THR 45 -7.948 -16.046 -35.782 373 HG21 THR 45 HG21 THR 45 -5.991 -13.947 -33.787 374 HG22 THR 45 HG22 THR 45 -7.696 -14.355 -33.981 375 HG23 THR 45 HG23 THR 45 -6.731 -13.903 -35.387 376 H ARG 46 H ARG 46 -2.744 -16.918 -35.995 377 HA ARG 46 HA ARG 46 -3.826 -19.604 -36.401 378 HE ARG 46 HE ARG 46 -3.490 -19.573 -40.379 379 HB2 ARG 46 HB2 ARG 46 -2.692 -18.218 -38.245 380 HB3 ARG 46 HB3 ARG 46 -1.183 -18.591 -37.422 381 HG2 ARG 46 HG2 ARG 46 -1.482 -20.933 -37.787 382 HG3 ARG 46 HG3 ARG 46 -3.113 -20.676 -38.409 383 HD2 ARG 46 HD2 ARG 46 -0.839 -19.283 -39.734 384 HD3 ARG 46 HD3 ARG 46 -1.060 -21.007 -40.029 385 HH11 ARG 46 HH11 ARG 46 -0.446 -20.298 -41.904 386 HH12 ARG 46 HH12 ARG 46 -1.053 -20.085 -43.513 387 HH21 ARG 46 HH21 ARG 46 -4.301 -19.290 -42.492 388 HH22 ARG 46 HH22 ARG 46 -3.245 -19.511 -43.846 389 H LYS 47 H LYS 47 -1.460 -17.876 -34.553 390 HA LYS 47 HA LYS 47 -0.391 -20.413 -33.510 391 HB2 LYS 47 HB2 LYS 47 0.797 -17.735 -33.966 392 HB3 LYS 47 HB3 LYS 47 1.317 -18.584 -32.516 393 HG2 LYS 47 HG2 LYS 47 1.437 -19.720 -35.302 394 HG3 LYS 47 HG3 LYS 47 2.789 -18.959 -34.461 395 HD2 LYS 47 HD2 LYS 47 1.469 -21.046 -32.900 396 HD3 LYS 47 HD3 LYS 47 2.174 -21.633 -34.408 397 HE2 LYS 47 HE2 LYS 47 3.701 -19.895 -32.488 398 HE3 LYS 47 HE3 LYS 47 3.663 -21.652 -32.339 399 HZ1 LYS 47 HZ1 LYS 47 4.356 -20.519 -34.944 400 HZ2 LYS 47 HZ2 LYS 47 4.911 -21.932 -34.199 401 HZ3 LYS 47 HZ3 LYS 47 5.516 -20.428 -33.717 402 H ALA 48 H ALA 48 0.318 -20.229 -31.148 403 HA ALA 48 HA ALA 48 -1.550 -18.592 -29.584 404 HB1 ALA 48 HB1 ALA 48 -1.259 -21.570 -29.501 405 HB2 ALA 48 HB2 ALA 48 -1.773 -20.675 -28.069 406 HB3 ALA 48 HB3 ALA 48 -2.726 -20.591 -29.551 407 HA PRO 49 HA PRO 49 -1.617 -17.264 -28.216 408 HB2 PRO 49 HB2 PRO 49 -0.377 -14.876 -27.853 409 HB3 PRO 49 HB3 PRO 49 -0.825 -15.939 -26.514 410 HG2 PRO 49 HG2 PRO 49 1.832 -15.588 -27.847 411 HG3 PRO 49 HG3 PRO 49 1.457 -15.729 -26.120 412 HD2 PRO 49 HD2 PRO 49 2.396 -17.806 -27.581 413 HD3 PRO 49 HD3 PRO 49 1.281 -18.025 -26.217 414 HA PRO 50 HA PRO 50 -1.415 -15.814 -32.362 415 HB2 PRO 50 HB2 PRO 50 -2.889 -13.537 -32.276 416 HB3 PRO 50 HB3 PRO 50 -3.603 -15.148 -32.145 417 HG2 PRO 50 HG2 PRO 50 -2.931 -13.194 -29.980 418 HG3 PRO 50 HG3 PRO 50 -4.378 -14.201 -30.168 419 HD2 PRO 50 HD2 PRO 50 -2.357 -14.856 -28.490 420 HD3 PRO 50 HD3 PRO 50 -3.336 -16.077 -29.327 421 H LYS 51 H LYS 51 -0.772 -13.996 -33.775 422 HA LYS 51 HA LYS 51 1.420 -12.487 -32.543 423 HB2 LYS 51 HB2 LYS 51 0.831 -13.288 -35.389 424 HB3 LYS 51 HB3 LYS 51 2.073 -12.110 -34.985 425 HG2 LYS 51 HG2 LYS 51 3.365 -13.964 -35.039 426 HG3 LYS 51 HG3 LYS 51 2.845 -14.060 -33.355 427 HD2 LYS 51 HD2 LYS 51 2.556 -16.225 -34.290 428 HD3 LYS 51 HD3 LYS 51 0.947 -15.517 -34.137 429 HE2 LYS 51 HE2 LYS 51 0.626 -15.948 -36.293 430 HE3 LYS 51 HE3 LYS 51 1.866 -14.752 -36.665 431 HZ1 LYS 51 HZ1 LYS 51 3.353 -16.893 -36.068 432 HZ2 LYS 51 HZ2 LYS 51 2.869 -16.487 -37.638 433 HZ3 LYS 51 HZ3 LYS 51 2.000 -17.641 -36.757 434 H PHE 52 H PHE 52 1.853 -10.339 -33.835 435 HA PHE 52 HA PHE 52 -0.619 -8.932 -34.470 436 HD1 PHE 52 HD1 PHE 52 1.489 -9.712 -30.945 437 HD2 PHE 52 HD2 PHE 52 -2.329 -8.189 -32.050 438 HE1 PHE 52 HE1 PHE 52 0.451 -11.005 -29.126 439 HE2 PHE 52 HE2 PHE 52 -3.373 -9.478 -30.233 440 HZ PHE 52 HZ PHE 52 -1.983 -10.888 -28.768 441 HB2 PHE 52 HB2 PHE 52 1.282 -7.804 -32.414 442 HB3 PHE 52 HB3 PHE 52 -0.298 -7.179 -32.878 443 H TYR 53 H TYR 53 -0.356 -7.415 -36.011 444 HA TYR 53 HA TYR 53 2.271 -7.160 -37.204 445 HD1 TYR 53 HD1 TYR 53 2.822 -5.166 -38.772 446 HD2 TYR 53 HD2 TYR 53 0.108 -7.897 -40.584 447 HE1 TYR 53 HE1 TYR 53 4.192 -5.163 -40.815 448 HE2 TYR 53 HE2 TYR 53 1.471 -7.903 -42.631 449 HH TYR 53 HH TYR 53 3.103 -6.560 -43.759 450 HB2 TYR 53 HB2 TYR 53 -0.149 -7.369 -38.330 451 HB3 TYR 53 HB3 TYR 53 -0.041 -5.614 -38.258 452 H VAL 54 H VAL 54 3.638 -5.679 -36.480 453 HA VAL 54 HA VAL 54 2.624 -3.233 -35.244 454 HB VAL 54 HB VAL 54 4.993 -2.848 -34.591 455 HG11 VAL 54 HG11 VAL 54 3.174 -4.399 -33.400 456 HG12 VAL 54 HG12 VAL 54 4.436 -5.604 -33.664 457 HG13 VAL 54 HG13 VAL 54 4.789 -4.143 -32.740 458 HG21 VAL 54 HG21 VAL 54 5.464 -5.593 -35.752 459 HG22 VAL 54 HG22 VAL 54 6.015 -4.079 -36.471 460 HG23 VAL 54 HG23 VAL 54 6.642 -4.590 -34.904 461 H HIS 55 H HIS 55 3.056 -1.190 -35.991 462 HA HIS 55 HA HIS 55 4.490 -0.967 -38.549 463 HD1 HIS 55 HD1 HIS 55 1.133 2.313 -39.017 464 HD2 HIS 55 HD2 HIS 55 4.539 0.616 -40.686 465 HE1 HIS 55 HE1 HIS 55 1.906 3.942 -40.770 466 HB2 HIS 55 HB2 HIS 55 2.162 -0.905 -39.132 467 HB3 HIS 55 HB3 HIS 55 1.812 0.238 -37.839 468 H TYR 56 H TYR 56 5.734 0.842 -38.818 469 HA TYR 56 HA TYR 56 6.091 2.497 -36.424 470 HD1 TYR 56 HD1 TYR 56 7.631 -0.435 -37.232 471 HD2 TYR 56 HD2 TYR 56 9.458 3.160 -35.878 472 HE1 TYR 56 HE1 TYR 56 8.799 -1.698 -35.474 473 HE2 TYR 56 HE2 TYR 56 10.633 1.908 -34.117 474 HH TYR 56 HH TYR 56 11.146 -1.196 -34.100 475 HB2 TYR 56 HB2 TYR 56 7.869 1.691 -38.689 476 HB3 TYR 56 HB3 TYR 56 8.207 3.196 -37.840 477 H VAL 57 H VAL 57 4.822 4.246 -36.488 478 HA VAL 57 HA VAL 57 3.887 5.511 -38.821 479 HB VAL 57 HB VAL 57 3.132 7.314 -37.381 480 HG11 VAL 57 HG11 VAL 57 2.039 5.002 -37.388 481 HG12 VAL 57 HG12 VAL 57 2.774 4.789 -35.798 482 HG13 VAL 57 HG13 VAL 57 1.622 6.096 -36.070 483 HG21 VAL 57 HG21 VAL 57 5.233 6.255 -35.603 484 HG22 VAL 57 HG22 VAL 57 4.652 7.906 -35.819 485 HG23 VAL 57 HG23 VAL 57 3.745 6.775 -34.814 486 H ASN 58 H ASN 58 6.803 5.893 -36.963 487 HA ASN 58 HA ASN 58 7.510 8.408 -38.206 488 HB2 ASN 58 HB2 ASN 58 8.997 6.565 -36.328 489 HB3 ASN 58 HB3 ASN 58 9.680 8.060 -36.960 490 HD21 ASN 58 HD21 ASN 58 9.511 9.719 -35.656 491 HD22 ASN 58 HD22 ASN 58 8.267 9.979 -34.485 492 H TYR 59 H TYR 59 8.964 5.149 -38.141 493 HA TYR 59 HA TYR 59 10.713 5.706 -40.324 494 HD1 TYR 59 HD1 TYR 59 10.839 4.374 -36.814 495 HD2 TYR 59 HD2 TYR 59 13.228 3.808 -40.289 496 HE1 TYR 59 HE1 TYR 59 12.859 4.865 -35.498 497 HE2 TYR 59 HE2 TYR 59 15.254 4.297 -38.983 498 HH TYR 59 HH TYR 59 15.953 4.184 -36.558 499 HB2 TYR 59 HB2 TYR 59 9.959 3.225 -38.809 500 HB3 TYR 59 HB3 TYR 59 10.932 3.113 -40.272 501 H ASN 60 H ASN 60 10.669 3.816 -42.125 502 HA ASN 60 HA ASN 60 8.175 4.278 -43.551 503 HB2 ASN 60 HB2 ASN 60 10.562 2.787 -44.623 504 HB3 ASN 60 HB3 ASN 60 9.328 3.669 -45.518 505 HD21 ASN 60 HD21 ASN 60 12.215 3.913 -43.610 506 HD22 ASN 60 HD22 ASN 60 12.569 5.561 -43.987 507 H LYS 61 H LYS 61 7.792 2.201 -45.141 508 HA LYS 61 HA LYS 61 6.611 0.256 -43.457 509 HB2 LYS 61 HB2 LYS 61 6.958 0.584 -46.407 510 HB3 LYS 61 HB3 LYS 61 6.453 -0.982 -45.788 511 HG2 LYS 61 HG2 LYS 61 4.426 -0.010 -46.184 512 HG3 LYS 61 HG3 LYS 61 4.675 0.446 -44.497 513 HD2 LYS 61 HD2 LYS 61 3.988 2.429 -45.529 514 HD3 LYS 61 HD3 LYS 61 5.744 2.581 -45.435 515 HE2 LYS 61 HE2 LYS 61 5.423 3.193 -47.610 516 HE3 LYS 61 HE3 LYS 61 5.615 1.453 -47.819 517 HZ1 LYS 61 HZ1 LYS 61 2.967 2.738 -47.489 518 HZ2 LYS 61 HZ2 LYS 61 3.302 1.170 -48.028 519 HZ3 LYS 61 HZ3 LYS 61 3.681 2.499 -49.003 520 H ARG 62 H ARG 62 9.737 0.553 -44.850 521 HA ARG 62 HA ARG 62 10.569 -2.059 -45.164 522 HE ARG 62 HE ARG 62 12.650 2.520 -45.338 523 HB2 ARG 62 HB2 ARG 62 12.832 -1.259 -44.779 524 HB3 ARG 62 HB3 ARG 62 11.934 -0.087 -45.735 525 HG2 ARG 62 HG2 ARG 62 11.603 1.299 -43.771 526 HG3 ARG 62 HG3 ARG 62 12.437 0.106 -42.772 527 HD2 ARG 62 HD2 ARG 62 14.133 1.602 -43.183 528 HD3 ARG 62 HD3 ARG 62 14.370 0.450 -44.497 529 HH11 ARG 62 HH11 ARG 62 15.990 1.910 -44.570 530 HH12 ARG 62 HH12 ARG 62 16.594 3.142 -45.628 531 HH21 ARG 62 HH21 ARG 62 13.432 4.146 -46.734 532 HH22 ARG 62 HH22 ARG 62 15.138 4.414 -46.857 533 H LEU 63 H LEU 63 9.998 -0.270 -42.226 534 HA LEU 63 HA LEU 63 11.178 -2.375 -40.586 535 HG LEU 63 HG LEU 63 12.736 -0.140 -40.170 536 HB2 LEU 63 HB2 LEU 63 10.354 0.423 -40.180 537 HB3 LEU 63 HB3 LEU 63 10.091 -0.653 -38.809 538 HD11 LEU 63 HD11 LEU 63 12.456 0.559 -37.361 539 HD12 LEU 63 HD12 LEU 63 11.386 1.488 -38.411 540 HD13 LEU 63 HD13 LEU 63 13.126 1.490 -38.702 541 HD21 LEU 63 HD21 LEU 63 13.195 -1.298 -37.712 542 HD22 LEU 63 HD22 LEU 63 13.307 -2.103 -39.277 543 HD23 LEU 63 HD23 LEU 63 11.817 -2.204 -38.338 544 H ASP 64 H ASP 64 8.097 -1.215 -41.657 545 HA ASP 64 HA ASP 64 6.386 -2.196 -39.710 546 HB2 ASP 64 HB2 ASP 64 5.624 -0.814 -41.584 547 HB3 ASP 64 HB3 ASP 64 5.952 -2.134 -42.704 548 H GLU 65 H GLU 65 6.589 -4.164 -38.835 549 HA GLU 65 HA GLU 65 6.377 -6.474 -40.627 550 HB2 GLU 65 HB2 GLU 65 8.057 -7.706 -39.338 551 HB3 GLU 65 HB3 GLU 65 8.748 -6.268 -40.076 552 HG2 GLU 65 HG2 GLU 65 8.941 -5.162 -38.050 553 HG3 GLU 65 HG3 GLU 65 7.758 -6.201 -37.258 554 H TRP 66 H TRP 66 6.243 -8.529 -38.994 555 HA TRP 66 HA TRP 66 4.160 -7.830 -37.029 556 HD1 TRP 66 HD1 TRP 66 5.182 -9.490 -40.769 557 HE1 TRP 66 HE1 TRP 66 6.119 -11.770 -41.509 558 HE3 TRP 66 HE3 TRP 66 3.597 -12.337 -36.830 559 HZ2 TRP 66 HZ2 TRP 66 6.178 -14.424 -40.551 560 HZ3 TRP 66 HZ3 TRP 66 4.134 -14.738 -36.818 561 HH2 TRP 66 HH2 TRP 66 5.398 -15.758 -38.641 562 HB2 TRP 66 HB2 TRP 66 3.134 -10.036 -37.528 563 HB3 TRP 66 HB3 TRP 66 3.155 -8.960 -38.923 564 H ILE 67 H ILE 67 4.437 -8.529 -35.001 565 HA ILE 67 HA ILE 67 6.391 -10.667 -34.500 566 HB ILE 67 HB ILE 67 7.103 -9.394 -32.439 567 HG12 ILE 67 HG12 ILE 67 5.806 -7.086 -33.905 568 HG13 ILE 67 HG13 ILE 67 5.201 -7.810 -32.419 569 HG21 ILE 67 HG21 ILE 67 8.355 -9.566 -34.647 570 HG22 ILE 67 HG22 ILE 67 7.784 -7.930 -34.971 571 HG23 ILE 67 HG23 ILE 67 8.811 -8.245 -33.573 572 HD11 ILE 67 HD11 ILE 67 7.226 -5.800 -32.797 573 HD12 ILE 67 HD12 ILE 67 6.394 -6.302 -31.326 574 HD13 ILE 67 HD13 ILE 67 7.840 -7.161 -31.859 575 H THR 68 H THR 68 6.277 -11.105 -31.942 576 HA THR 68 HA THR 68 3.450 -11.701 -31.427 577 HB THR 68 HB THR 68 4.227 -13.404 -29.869 578 HG1 THR 68 HG1 THR 68 6.400 -13.699 -29.469 579 HG21 THR 68 HG21 THR 68 4.349 -14.769 -31.623 580 HG22 THR 68 HG22 THR 68 6.026 -14.291 -31.884 581 HG23 THR 68 HG23 THR 68 4.722 -13.401 -32.670 582 H THR 69 H THR 69 3.175 -12.003 -28.855 583 HA THR 69 HA THR 69 3.154 -9.378 -27.805 584 HB THR 69 HB THR 69 1.482 -11.036 -27.138 585 HG1 THR 69 HG1 THR 69 1.977 -9.321 -25.679 586 HG21 THR 69 HG21 THR 69 2.232 -12.733 -25.374 587 HG22 THR 69 HG22 THR 69 3.867 -12.441 -25.964 588 HG23 THR 69 HG23 THR 69 2.637 -13.082 -27.054 589 H ASP 70 H ASP 70 5.534 -11.833 -27.807 590 HA ASP 70 HA ASP 70 6.903 -11.454 -25.441 591 HB2 ASP 70 HB2 ASP 70 7.370 -13.073 -27.418 592 HB3 ASP 70 HB3 ASP 70 8.383 -11.772 -28.037 593 H ARG 71 H ARG 71 6.745 -9.392 -28.247 594 HA ARG 71 HA ARG 71 8.734 -7.586 -27.053 595 HE ARG 71 HE ARG 71 10.235 -9.090 -27.157 596 HB2 ARG 71 HB2 ARG 71 7.627 -7.657 -29.866 597 HB3 ARG 71 HB3 ARG 71 8.832 -6.520 -29.276 598 HG2 ARG 71 HG2 ARG 71 9.271 -9.487 -29.195 599 HG3 ARG 71 HG3 ARG 71 9.662 -8.512 -30.614 600 HD2 ARG 71 HD2 ARG 71 11.676 -8.478 -29.525 601 HD3 ARG 71 HD3 ARG 71 10.925 -7.034 -28.846 602 HH11 ARG 71 HH11 ARG 71 13.193 -7.662 -28.308 603 HH12 ARG 71 HH12 ARG 71 14.085 -8.032 -26.869 604 HH21 ARG 71 HH21 ARG 71 11.397 -9.583 -25.258 605 HH22 ARG 71 HH22 ARG 71 13.062 -9.125 -25.135 606 H ILE 72 H ILE 72 5.396 -7.930 -27.866 607 HA ILE 72 HA ILE 72 4.885 -5.086 -27.371 608 HB ILE 72 HB ILE 72 3.008 -7.240 -28.353 609 HG12 ILE 72 HG12 ILE 72 4.098 -4.894 -29.904 610 HG13 ILE 72 HG13 ILE 72 4.900 -6.460 -29.887 611 HG21 ILE 72 HG21 ILE 72 1.350 -5.854 -27.855 612 HG22 ILE 72 HG22 ILE 72 2.495 -4.670 -27.228 613 HG23 ILE 72 HG23 ILE 72 2.052 -4.650 -28.935 614 HD11 ILE 72 HD11 ILE 72 3.651 -6.716 -31.753 615 HD12 ILE 72 HD12 ILE 72 2.472 -7.276 -30.568 616 HD13 ILE 72 HD13 ILE 72 2.382 -5.628 -31.191 617 H ASN 73 H ASN 73 4.426 -4.490 -25.368 618 HA ASN 73 HA ASN 73 3.553 -6.440 -23.409 619 HB2 ASN 73 HB2 ASN 73 5.288 -4.587 -23.014 620 HB3 ASN 73 HB3 ASN 73 3.914 -3.488 -22.923 621 HD21 ASN 73 HD21 ASN 73 4.290 -2.990 -20.781 622 HD22 ASN 73 HD22 ASN 73 3.985 -4.107 -19.500 623 H LEU 74 H LEU 74 1.446 -6.960 -23.881 624 HA LEU 74 HA LEU 74 -0.521 -4.843 -24.210 625 HG LEU 74 HG LEU 74 -2.977 -6.239 -23.966 626 HB2 LEU 74 HB2 LEU 74 -0.563 -6.900 -25.601 627 HB3 LEU 74 HB3 LEU 74 -0.916 -7.831 -24.146 628 HD11 LEU 74 HD11 LEU 74 -2.499 -6.143 -26.937 629 HD12 LEU 74 HD12 LEU 74 -2.166 -4.798 -25.846 630 HD13 LEU 74 HD13 LEU 74 -3.814 -5.398 -26.028 631 HD21 LEU 74 HD21 LEU 74 -2.534 -8.662 -25.614 632 HD22 LEU 74 HD22 LEU 74 -4.070 -7.817 -25.809 633 HD23 LEU 74 HD23 LEU 74 -3.587 -8.412 -24.220 634 H ASP 75 H ASP 75 0.129 -4.178 -21.914 635 HA ASP 75 HA ASP 75 -1.696 -5.515 -20.029 636 HB2 ASP 75 HB2 ASP 75 0.786 -5.914 -19.587 637 HB3 ASP 75 HB3 ASP 75 0.887 -4.199 -19.194 638 H LYS 76 H LYS 76 -2.425 -3.372 -21.665 639 HA LYS 76 HA LYS 76 -2.141 -0.870 -20.332 640 HB2 LYS 76 HB2 LYS 76 -3.010 -1.667 -22.816 641 HB3 LYS 76 HB3 LYS 76 -4.508 -1.176 -22.037 642 HG2 LYS 76 HG2 LYS 76 -3.905 1.014 -21.937 643 HG3 LYS 76 HG3 LYS 76 -2.182 0.650 -21.818 644 HD2 LYS 76 HD2 LYS 76 -3.540 -0.080 -24.348 645 HD3 LYS 76 HD3 LYS 76 -3.307 1.641 -24.032 646 HE2 LYS 76 HE2 LYS 76 -0.901 1.193 -23.641 647 HE3 LYS 76 HE3 LYS 76 -1.173 -0.490 -24.089 648 HZ1 LYS 76 HZ1 LYS 76 -2.168 1.374 -26.033 649 HZ2 LYS 76 HZ2 LYS 76 -1.175 0.020 -26.243 650 HZ3 LYS 76 HZ3 LYS 76 -0.498 1.503 -25.795 651 H GLU 77 H GLU 77 -4.480 0.307 -20.017 652 HA GLU 77 HA GLU 77 -5.992 -1.392 -18.146 653 HB2 GLU 77 HB2 GLU 77 -6.190 0.407 -16.600 654 HB3 GLU 77 HB3 GLU 77 -4.489 0.291 -17.027 655 HG2 GLU 77 HG2 GLU 77 -5.125 2.092 -18.813 656 HG3 GLU 77 HG3 GLU 77 -6.480 2.389 -17.725 657 H VAL 78 H VAL 78 -8.222 -0.887 -17.887 658 HA VAL 78 HA VAL 78 -9.352 0.751 -20.061 659 HB VAL 78 HB VAL 78 -11.245 -0.827 -20.185 660 HG11 VAL 78 HG11 VAL 78 -8.510 -2.003 -20.656 661 HG12 VAL 78 HG12 VAL 78 -10.009 -2.678 -21.297 662 HG13 VAL 78 HG13 VAL 78 -9.481 -1.070 -21.795 663 HG21 VAL 78 HG21 VAL 78 -9.583 -2.599 -18.398 664 HG22 VAL 78 HG22 VAL 78 -11.021 -1.716 -17.886 665 HG23 VAL 78 HG23 VAL 78 -11.152 -2.983 -19.105 666 H LEU 79 H LEU 79 -11.459 1.659 -19.638 667 HA LEU 79 HA LEU 79 -11.789 2.325 -16.809 668 HG LEU 79 HG LEU 79 -10.508 4.359 -18.132 669 HB2 LEU 79 HB2 LEU 79 -12.564 3.617 -19.380 670 HB3 LEU 79 HB3 LEU 79 -13.492 3.986 -17.928 671 HD11 LEU 79 HD11 LEU 79 -10.756 6.447 -18.954 672 HD12 LEU 79 HD12 LEU 79 -12.312 6.695 -18.163 673 HD13 LEU 79 HD13 LEU 79 -12.220 5.754 -19.652 674 HD21 LEU 79 HD21 LEU 79 -12.299 4.376 -15.964 675 HD22 LEU 79 HD22 LEU 79 -11.881 6.060 -16.284 676 HD23 LEU 79 HD23 LEU 79 -10.608 4.878 -15.978 677 H TYR 80 H TYR 80 -12.885 0.549 -16.011 678 HA TYR 80 HA TYR 80 -15.552 0.050 -17.160 679 HD1 TYR 80 HD1 TYR 80 -13.000 -1.227 -18.502 680 HD2 TYR 80 HD2 TYR 80 -16.268 -3.548 -17.074 681 HE1 TYR 80 HE1 TYR 80 -13.152 -2.347 -20.687 682 HE2 TYR 80 HE2 TYR 80 -16.428 -4.675 -19.254 683 HH TYR 80 HH TYR 80 -15.319 -5.058 -21.215 684 HB2 TYR 80 HB2 TYR 80 -13.519 -1.740 -15.928 685 HB3 TYR 80 HB3 TYR 80 -15.212 -2.109 -15.617 686 HA PRO 81 HA PRO 81 -16.405 2.119 -13.152 687 HB2 PRO 81 HB2 PRO 81 -18.689 3.303 -14.018 688 HB3 PRO 81 HB3 PRO 81 -17.086 4.000 -14.282 689 HG2 PRO 81 HG2 PRO 81 -18.795 2.413 -16.159 690 HG3 PRO 81 HG3 PRO 81 -17.841 3.873 -16.478 691 HD2 PRO 81 HD2 PRO 81 -16.979 1.394 -17.145 692 HD3 PRO 81 HD3 PRO 81 -15.869 2.694 -16.667 693 H LYS 82 H LYS 82 -16.764 -0.177 -12.507 694 HA LYS 82 HA LYS 82 -19.584 -0.587 -11.948 695 HB2 LYS 82 HB2 LYS 82 -17.922 -2.483 -13.583 696 HB3 LYS 82 HB3 LYS 82 -19.265 -3.072 -12.611 697 HG2 LYS 82 HG2 LYS 82 -20.560 -1.150 -13.881 698 HG3 LYS 82 HG3 LYS 82 -19.281 -1.412 -15.070 699 HD2 LYS 82 HD2 LYS 82 -19.846 -3.804 -15.126 700 HD3 LYS 82 HD3 LYS 82 -21.144 -3.516 -13.965 701 HE2 LYS 82 HE2 LYS 82 -22.136 -1.908 -15.607 702 HE3 LYS 82 HE3 LYS 82 -20.920 -2.435 -16.770 703 HZ1 LYS 82 HZ1 LYS 82 -23.372 -3.660 -16.104 704 HZ2 LYS 82 HZ2 LYS 82 -22.107 -4.726 -15.752 705 HZ3 LYS 82 HZ3 LYS 82 -22.266 -4.089 -17.310 706 H LEU 83 H LEU 83 -19.970 -1.927 -10.153 707 HA LEU 83 HA LEU 83 -17.815 -2.000 -8.261 708 HG LEU 83 HG LEU 83 -20.771 -1.248 -6.203 709 HB2 LEU 83 HB2 LEU 83 -20.725 -2.592 -8.227 710 HB3 LEU 83 HB3 LEU 83 -19.725 -3.312 -6.968 711 HD11 LEU 83 HD11 LEU 83 -18.853 -0.243 -5.252 712 HD12 LEU 83 HD12 LEU 83 -17.828 -0.763 -6.589 713 HD13 LEU 83 HD13 LEU 83 -18.470 -1.953 -5.457 714 HD21 LEU 83 HD21 LEU 83 -19.108 0.327 -8.123 715 HD22 LEU 83 HD22 LEU 83 -20.553 0.806 -7.232 716 HD23 LEU 83 HD23 LEU 83 -20.690 -0.278 -8.616 717 H LYS 84 H LYS 84 -17.254 -3.948 -7.023 718 HA LYS 84 HA LYS 84 -17.834 -6.551 -7.925 719 HB2 LYS 84 HB2 LYS 84 -16.337 -5.503 -9.798 720 HB3 LYS 84 HB3 LYS 84 -15.028 -5.794 -8.660 721 HG2 LYS 84 HG2 LYS 84 -16.890 -8.028 -9.282 722 HG3 LYS 84 HG3 LYS 84 -15.679 -7.569 -10.482 723 HD2 LYS 84 HD2 LYS 84 -14.849 -7.968 -7.642 724 HD3 LYS 84 HD3 LYS 84 -15.135 -9.377 -8.665 725 HE2 LYS 84 HE2 LYS 84 -12.906 -9.033 -9.056 726 HE3 LYS 84 HE3 LYS 84 -13.605 -8.056 -10.346 727 HZ1 LYS 84 HZ1 LYS 84 -12.884 -6.165 -9.416 728 HZ2 LYS 84 HZ2 LYS 84 -11.787 -7.164 -8.602 729 HZ3 LYS 84 HZ3 LYS 84 -13.212 -6.672 -7.836 730 H ALA 85 H ALA 85 -17.483 -7.828 -6.234 731 HA ALA 85 HA ALA 85 -15.431 -7.021 -4.277 732 HB1 ALA 85 HB1 ALA 85 -17.594 -6.819 -3.290 733 HB2 ALA 85 HB2 ALA 85 -18.062 -8.425 -3.850 734 HB3 ALA 85 HB3 ALA 85 -16.825 -8.251 -2.606 735 H THR 86 H THR 86 -14.663 -8.926 -2.913 736 HA THR 86 HA THR 86 -14.730 -11.546 -4.011 737 HB THR 86 HB THR 86 -13.286 -10.687 -5.727 738 HG1 THR 86 HG1 THR 86 -11.618 -12.112 -5.442 739 HG21 THR 86 HG21 THR 86 -12.332 -8.991 -3.666 740 HG22 THR 86 HG22 THR 86 -11.926 -8.959 -5.381 741 HG23 THR 86 HG23 THR 86 -10.961 -9.924 -4.264 742 H ASP 87 H ASP 87 -14.517 -12.823 -2.305 743 HA ASP 87 HA ASP 87 -12.885 -11.889 -0.040 744 HB2 ASP 87 HB2 ASP 87 -15.301 -13.693 -0.147 745 HB3 ASP 87 HB3 ASP 87 -14.276 -13.565 1.279 746 H GLU 88 H GLU 88 -10.901 -12.720 -0.578 747 HA GLU 88 HA GLU 88 -10.724 -15.656 -0.602 748 HB2 GLU 88 HB2 GLU 88 -10.381 -14.681 -2.887 749 HB3 GLU 88 HB3 GLU 88 -8.981 -13.825 -2.256 750 HG2 GLU 88 HG2 GLU 88 -8.340 -15.852 -3.441 751 HG3 GLU 88 HG3 GLU 88 -7.894 -15.927 -1.737 752 H ASP 89 H ASP 89 -9.319 -16.489 0.812 753 HA ASP 89 HA ASP 89 -7.274 -14.718 1.969 754 HB2 ASP 89 HB2 ASP 89 -9.320 -16.395 3.371 755 HB3 ASP 89 HB3 ASP 89 -7.748 -16.145 4.125 Start of MODEL 3 1 HA MET -4 HA MET -4 17.332 0.533 2.724 2 H1 MET -4 H1 MET -4 15.274 1.494 2.501 3 HB2 MET -4 HB2 MET -4 16.019 -0.073 5.364 4 HB3 MET -4 HB3 MET -4 17.692 -0.510 5.043 5 HG2 MET -4 HG2 MET -4 18.294 1.782 4.715 6 HG3 MET -4 HG3 MET -4 16.608 2.284 4.811 7 HE1 MET -4 HE1 MET -4 17.257 3.953 7.914 8 HE2 MET -4 HE2 MET -4 16.674 3.902 6.250 9 HE3 MET -4 HE3 MET -4 15.696 3.217 7.548 10 H GLY -3 H GLY -3 15.493 -1.052 1.274 11 HA2 GLY -3 HA2 GLY -3 16.061 -3.793 2.170 12 HA3 GLY -3 HA3 GLY -3 14.857 -3.334 0.975 13 H SER -2 H SER -2 16.284 -5.347 0.181 14 HA SER -2 HA SER -2 18.711 -4.527 -1.163 15 HG SER -2 HG SER -2 17.895 -7.933 -2.564 16 HB2 SER -2 HB2 SER -2 18.959 -6.718 -0.510 17 HB3 SER -2 HB3 SER -2 17.254 -7.096 -0.753 18 H SER -1 H SER -1 19.029 -4.763 -3.465 19 HA SER -1 HA SER -1 16.845 -3.634 -4.954 20 HG SER -1 HG SER -1 19.836 -2.133 -5.778 21 HB2 SER -1 HB2 SER -1 19.528 -4.562 -5.999 22 HB3 SER -1 HB3 SER -1 18.418 -3.431 -6.773 23 H HIS 0 H HIS 0 15.311 -4.755 -5.936 24 HA HIS 0 HA HIS 0 15.442 -7.597 -6.199 25 HD1 HIS 0 HD1 HIS 0 11.460 -5.443 -5.413 26 HD2 HIS 0 HD2 HIS 0 14.162 -8.476 -4.540 27 HE1 HIS 0 HE1 HIS 0 10.765 -6.337 -3.168 28 HB2 HIS 0 HB2 HIS 0 13.433 -5.509 -7.003 29 HB3 HIS 0 HB3 HIS 0 13.242 -7.188 -7.498 30 H HIS 1 H HIS 1 16.679 -8.526 -7.693 31 HA HIS 1 HA HIS 1 16.981 -7.242 -10.311 32 HD1 HIS 1 HD1 HIS 1 18.258 -7.048 -11.962 33 HD2 HIS 1 HD2 HIS 1 20.647 -10.266 -10.865 34 HE1 HIS 1 HE1 HIS 1 19.722 -7.510 -13.955 35 HB2 HIS 1 HB2 HIS 1 19.015 -7.928 -8.992 36 HB3 HIS 1 HB3 HIS 1 18.520 -9.603 -9.218 37 H HIS 2 H HIS 2 16.266 -8.149 -12.166 38 HA HIS 2 HA HIS 2 15.438 -10.914 -12.271 39 HD1 HIS 2 HD1 HIS 2 13.961 -12.499 -12.173 40 HD2 HIS 2 HD2 HIS 2 11.098 -9.983 -13.827 41 HE1 HIS 2 HE1 HIS 2 12.232 -14.020 -13.182 42 HB2 HIS 2 HB2 HIS 2 13.491 -9.603 -11.274 43 HB3 HIS 2 HB3 HIS 2 13.349 -8.814 -12.842 44 H HIS 3 H HIS 3 15.369 -11.715 -14.340 45 HA HIS 3 HA HIS 3 15.126 -10.160 -16.676 46 HD1 HIS 3 HD1 HIS 3 17.600 -11.807 -14.104 47 HD2 HIS 3 HD2 HIS 3 19.802 -11.329 -17.595 48 HE1 HIS 3 HE1 HIS 3 19.622 -13.277 -13.830 49 HB2 HIS 3 HB2 HIS 3 17.383 -10.110 -17.497 50 HB3 HIS 3 HB3 HIS 3 17.375 -9.369 -15.899 51 H HIS 4 H HIS 4 14.779 -11.443 -18.422 52 HA HIS 4 HA HIS 4 15.605 -14.248 -18.307 53 HD1 HIS 4 HD1 HIS 4 11.789 -12.198 -17.203 54 HD2 HIS 4 HD2 HIS 4 12.258 -13.524 -21.112 55 HE1 HIS 4 HE1 HIS 4 10.101 -10.915 -18.555 56 HB2 HIS 4 HB2 HIS 4 13.369 -15.031 -18.915 57 HB3 HIS 4 HB3 HIS 4 13.328 -14.175 -17.376 58 H HIS 5 H HIS 5 14.715 -15.316 -20.495 59 HA HIS 5 HA HIS 5 15.014 -13.446 -22.721 60 HD1 HIS 5 HD1 HIS 5 16.838 -12.933 -24.711 61 HD2 HIS 5 HD2 HIS 5 17.018 -17.084 -24.724 62 HE1 HIS 5 HE1 HIS 5 17.278 -13.579 -27.101 63 HB2 HIS 5 HB2 HIS 5 17.285 -14.203 -22.306 64 HB3 HIS 5 HB3 HIS 5 16.758 -15.884 -22.312 65 H SER 6 H SER 6 14.099 -14.143 -24.658 66 HA SER 6 HA SER 6 12.851 -16.777 -24.740 67 HG SER 6 HG SER 6 9.755 -16.335 -24.405 68 HB2 SER 6 HB2 SER 6 11.252 -15.045 -23.699 69 HB3 SER 6 HB3 SER 6 11.162 -14.349 -25.317 70 H SER 7 H SER 7 12.459 -17.536 -26.805 71 HA SER 7 HA SER 7 13.213 -15.767 -29.031 72 HG SER 7 HG SER 7 14.361 -18.154 -30.890 73 HB2 SER 7 HB2 SER 7 15.086 -17.333 -28.348 74 HB3 SER 7 HB3 SER 7 14.049 -18.667 -28.854 75 H GLY 8 H GLY 8 10.619 -16.066 -28.475 76 HA2 GLY 8 HA2 GLY 8 8.702 -16.465 -29.727 77 HA3 GLY 8 HA3 GLY 8 9.651 -17.476 -30.806 78 H LEU 9 H LEU 9 8.137 -17.400 -27.606 79 HA LEU 9 HA LEU 9 7.561 -20.261 -27.905 80 HG LEU 9 HG LEU 9 9.320 -21.545 -27.001 81 HB2 LEU 9 HB2 LEU 9 8.936 -18.895 -25.639 82 HB3 LEU 9 HB3 LEU 9 7.890 -20.273 -25.302 83 HD11 LEU 9 HD11 LEU 9 10.699 -20.184 -28.142 84 HD12 LEU 9 HD12 LEU 9 11.747 -20.392 -26.739 85 HD13 LEU 9 HD13 LEU 9 10.722 -18.963 -26.870 86 HD21 LEU 9 HD21 LEU 9 9.435 -22.032 -24.654 87 HD22 LEU 9 HD22 LEU 9 10.447 -20.617 -24.363 88 HD23 LEU 9 HD23 LEU 9 11.078 -21.975 -25.295 89 H VAL 10 H VAL 10 5.932 -20.950 -26.141 90 HA VAL 10 HA VAL 10 3.833 -18.891 -26.041 91 HB VAL 10 HB VAL 10 3.485 -21.876 -25.743 92 HG11 VAL 10 HG11 VAL 10 1.102 -21.035 -26.520 93 HG12 VAL 10 HG12 VAL 10 1.580 -21.015 -24.821 94 HG13 VAL 10 HG13 VAL 10 1.654 -19.534 -25.777 95 HG21 VAL 10 HG21 VAL 10 3.801 -20.203 -28.123 96 HG22 VAL 10 HG22 VAL 10 3.936 -21.951 -27.937 97 HG23 VAL 10 HG23 VAL 10 2.350 -21.206 -28.139 98 HA PRO 11 HA PRO 11 4.974 -19.062 -21.643 99 HB2 PRO 11 HB2 PRO 11 3.926 -16.624 -21.068 100 HB3 PRO 11 HB3 PRO 11 5.532 -16.837 -21.774 101 HG2 PRO 11 HG2 PRO 11 2.950 -16.133 -23.116 102 HG3 PRO 11 HG3 PRO 11 4.567 -15.450 -23.372 103 HD2 PRO 11 HD2 PRO 11 3.487 -17.298 -25.031 104 HD3 PRO 11 HD3 PRO 11 5.232 -17.201 -24.716 105 H ARG 12 H ARG 12 3.421 -18.121 -19.728 106 HA ARG 12 HA ARG 12 0.996 -19.713 -19.982 107 HE ARG 12 HE ARG 12 4.409 -21.975 -16.961 108 HB2 ARG 12 HB2 ARG 12 2.275 -18.375 -17.593 109 HB3 ARG 12 HB3 ARG 12 0.805 -19.338 -17.525 110 HG2 ARG 12 HG2 ARG 12 2.366 -20.885 -16.898 111 HG3 ARG 12 HG3 ARG 12 2.310 -21.165 -18.639 112 HD2 ARG 12 HD2 ARG 12 4.344 -20.116 -19.002 113 HD3 ARG 12 HD3 ARG 12 4.254 -19.201 -17.497 114 HH11 ARG 12 HH11 ARG 12 6.335 -19.274 -18.018 115 HH12 ARG 12 HH12 ARG 12 7.821 -19.932 -17.418 116 HH21 ARG 12 HH21 ARG 12 6.359 -22.851 -16.167 117 HH22 ARG 12 HH22 ARG 12 7.834 -21.967 -16.366 118 H GLY 13 H GLY 13 -0.884 -18.697 -18.523 119 HA2 GLY 13 HA2 GLY 13 -1.859 -16.484 -20.009 120 HA3 GLY 13 HA3 GLY 13 -2.614 -17.184 -18.584 121 H SER 14 H SER 14 -2.959 -15.674 -17.108 122 HA SER 14 HA SER 14 -2.656 -13.912 -15.701 123 HG SER 14 HG SER 14 -0.913 -12.745 -14.414 124 HB2 SER 14 HB2 SER 14 -0.412 -15.339 -15.437 125 HB3 SER 14 HB3 SER 14 0.293 -13.872 -16.118 126 H HIS 15 H HIS 15 -2.977 -13.477 -18.570 127 HA HIS 15 HA HIS 15 -2.219 -10.682 -18.615 128 HD1 HIS 15 HD1 HIS 15 0.895 -13.524 -19.776 129 HD2 HIS 15 HD2 HIS 15 0.350 -9.515 -18.830 130 HE1 HIS 15 HE1 HIS 15 2.996 -12.823 -18.585 131 HB2 HIS 15 HB2 HIS 15 -1.226 -12.647 -20.684 132 HB3 HIS 15 HB3 HIS 15 -1.256 -10.905 -20.940 133 H MET 16 H MET 16 -2.913 -9.888 -21.044 134 HA MET 16 HA MET 16 -5.729 -10.679 -21.224 135 HB2 MET 16 HB2 MET 16 -4.213 -8.190 -21.797 136 HB3 MET 16 HB3 MET 16 -5.612 -8.521 -22.809 137 HG2 MET 16 HG2 MET 16 -5.914 -8.730 -19.862 138 HG3 MET 16 HG3 MET 16 -5.814 -7.130 -20.592 139 HE1 MET 16 HE1 MET 16 -8.640 -10.399 -20.578 140 HE2 MET 16 HE2 MET 16 -7.622 -9.691 -19.324 141 HE3 MET 16 HE3 MET 16 -9.275 -9.117 -19.545 142 H SER 17 H SER 17 -6.562 -10.203 -23.627 143 HA SER 17 HA SER 17 -4.759 -11.622 -25.473 144 HG SER 17 HG SER 17 -8.309 -11.521 -24.581 145 HB2 SER 17 HB2 SER 17 -6.566 -12.936 -26.314 146 HB3 SER 17 HB3 SER 17 -6.648 -13.048 -24.556 147 H VAL 18 H VAL 18 -6.164 -11.534 -27.765 148 HA VAL 18 HA VAL 18 -5.853 -8.827 -28.589 149 HB VAL 18 HB VAL 18 -5.426 -10.783 -30.070 150 HG11 VAL 18 HG11 VAL 18 -8.177 -11.078 -30.941 151 HG12 VAL 18 HG12 VAL 18 -6.978 -12.311 -30.548 152 HG13 VAL 18 HG13 VAL 18 -7.950 -11.586 -29.268 153 HG21 VAL 18 HG21 VAL 18 -6.022 -8.365 -30.807 154 HG22 VAL 18 HG22 VAL 18 -5.984 -9.653 -32.012 155 HG23 VAL 18 HG23 VAL 18 -7.527 -9.094 -31.367 156 H ASP 19 H ASP 19 -8.377 -10.430 -27.074 157 HA ASP 19 HA ASP 19 -10.666 -9.411 -28.293 158 HB2 ASP 19 HB2 ASP 19 -10.478 -11.134 -26.402 159 HB3 ASP 19 HB3 ASP 19 -10.397 -9.753 -25.311 160 H ASP 20 H ASP 20 -8.272 -7.839 -26.381 161 HA ASP 20 HA ASP 20 -9.986 -5.494 -25.981 162 HB2 ASP 20 HB2 ASP 20 -8.876 -6.058 -23.973 163 HB3 ASP 20 HB3 ASP 20 -7.347 -6.341 -24.801 164 H ILE 21 H ILE 21 -7.294 -6.649 -27.823 165 HA ILE 21 HA ILE 21 -6.544 -3.989 -28.728 166 HB ILE 21 HB ILE 21 -5.489 -6.694 -29.561 167 HG12 ILE 21 HG12 ILE 21 -4.351 -4.603 -27.692 168 HG13 ILE 21 HG13 ILE 21 -5.013 -6.163 -27.214 169 HG21 ILE 21 HG21 ILE 21 -3.644 -5.434 -30.571 170 HG22 ILE 21 HG22 ILE 21 -5.193 -5.036 -31.313 171 HG23 ILE 21 HG23 ILE 21 -4.457 -3.925 -30.158 172 HD11 ILE 21 HD11 ILE 21 -2.599 -6.220 -27.206 173 HD12 ILE 21 HD12 ILE 21 -3.230 -7.285 -28.462 174 HD13 ILE 21 HD13 ILE 21 -2.559 -5.712 -28.895 175 H ILE 22 H ILE 22 -6.824 -3.202 -30.795 176 HA ILE 22 HA ILE 22 -8.517 -4.798 -32.599 177 HB ILE 22 HB ILE 22 -9.802 -2.851 -33.206 178 HG12 ILE 22 HG12 ILE 22 -8.116 -1.357 -31.185 179 HG13 ILE 22 HG13 ILE 22 -8.044 -1.159 -32.932 180 HG21 ILE 22 HG21 ILE 22 -9.664 -3.088 -30.203 181 HG22 ILE 22 HG22 ILE 22 -11.026 -2.483 -31.143 182 HG23 ILE 22 HG23 ILE 22 -10.547 -4.175 -31.274 183 HD11 ILE 22 HD11 ILE 22 -10.709 -0.752 -32.315 184 HD12 ILE 22 HD12 ILE 22 -9.830 0.036 -31.006 185 HD13 ILE 22 HD13 ILE 22 -9.507 0.484 -32.681 186 H ILE 23 H ILE 23 -8.679 -3.236 -34.756 187 HA ILE 23 HA ILE 23 -5.944 -3.227 -35.733 188 HB ILE 23 HB ILE 23 -8.446 -2.603 -37.297 189 HG12 ILE 23 HG12 ILE 23 -8.680 -4.804 -36.253 190 HG13 ILE 23 HG13 ILE 23 -8.425 -4.968 -37.987 191 HG21 ILE 23 HG21 ILE 23 -6.883 -2.059 -38.809 192 HG22 ILE 23 HG22 ILE 23 -5.602 -2.890 -37.928 193 HG23 ILE 23 HG23 ILE 23 -6.678 -3.802 -38.987 194 HD11 ILE 23 HD11 ILE 23 -5.894 -5.033 -36.710 195 HD12 ILE 23 HD12 ILE 23 -6.973 -6.145 -35.870 196 HD13 ILE 23 HD13 ILE 23 -6.715 -6.309 -37.607 197 H LYS 24 H LYS 24 -4.963 -1.455 -36.776 198 HA LYS 24 HA LYS 24 -4.321 0.719 -36.965 199 HB2 LYS 24 HB2 LYS 24 -7.311 0.941 -37.144 200 HB3 LYS 24 HB3 LYS 24 -6.305 2.383 -37.172 201 HG2 LYS 24 HG2 LYS 24 -5.738 0.131 -39.049 202 HG3 LYS 24 HG3 LYS 24 -7.034 1.278 -39.398 203 HD2 LYS 24 HD2 LYS 24 -4.363 2.347 -38.633 204 HD3 LYS 24 HD3 LYS 24 -4.565 1.678 -40.253 205 HE2 LYS 24 HE2 LYS 24 -6.592 3.177 -40.471 206 HE3 LYS 24 HE3 LYS 24 -6.059 3.964 -38.987 207 HZ1 LYS 24 HZ1 LYS 24 -5.148 5.252 -40.670 208 HZ2 LYS 24 HZ2 LYS 24 -4.733 3.917 -41.624 209 HZ3 LYS 24 HZ3 LYS 24 -3.857 4.257 -40.218 210 H CYS 25 H CYS 25 -4.569 -0.431 -34.321 211 HA CYS 25 HA CYS 25 -5.341 1.892 -32.703 212 HG CYS 25 HG CYS 25 -6.993 1.560 -30.721 213 HB2 CYS 25 HB2 CYS 25 -6.071 -0.631 -32.297 214 HB3 CYS 25 HB3 CYS 25 -4.525 -0.693 -31.459 215 H GLN 26 H GLN 26 -3.931 2.433 -30.850 216 HA GLN 26 HA GLN 26 -1.154 2.487 -31.725 217 HB2 GLN 26 HB2 GLN 26 -0.865 4.162 -29.926 218 HB3 GLN 26 HB3 GLN 26 -2.128 4.603 -31.066 219 HG2 GLN 26 HG2 GLN 26 -3.481 3.204 -29.113 220 HG3 GLN 26 HG3 GLN 26 -2.279 4.127 -28.212 221 HE21 GLN 26 HE21 GLN 26 -3.253 5.842 -27.405 222 HE22 GLN 26 HE22 GLN 26 -4.303 6.912 -28.263 223 H CYS 27 H CYS 27 0.259 1.050 -31.008 224 HA CYS 27 HA CYS 27 -0.248 -0.254 -28.418 225 HG CYS 27 HG CYS 27 2.331 -2.616 -31.479 226 HB2 CYS 27 HB2 CYS 27 0.940 -2.176 -29.228 227 HB3 CYS 27 HB3 CYS 27 -0.241 -1.722 -30.451 228 H TRP 28 H TRP 28 1.356 -0.369 -26.893 229 HA TRP 28 HA TRP 28 3.626 1.431 -27.325 230 HD1 TRP 28 HD1 TRP 28 0.484 2.582 -24.989 231 HE1 TRP 28 HE1 TRP 28 0.802 5.136 -24.945 232 HE3 TRP 28 HE3 TRP 28 5.556 2.779 -25.595 233 HZ2 TRP 28 HZ2 TRP 28 2.922 6.989 -25.142 234 HZ3 TRP 28 HZ3 TRP 28 6.652 4.982 -25.657 235 HH2 TRP 28 HH2 TRP 28 5.360 7.042 -25.435 236 HB2 TRP 28 HB2 TRP 28 2.071 0.547 -24.953 237 HB3 TRP 28 HB3 TRP 28 3.783 0.877 -24.702 238 H VAL 29 H VAL 29 5.625 0.682 -27.580 239 HA VAL 29 HA VAL 29 6.112 -2.176 -27.138 240 HB VAL 29 HB VAL 29 7.792 -0.179 -28.661 241 HG11 VAL 29 HG11 VAL 29 8.972 -2.120 -29.519 242 HG12 VAL 29 HG12 VAL 29 9.055 -2.086 -27.756 243 HG13 VAL 29 HG13 VAL 29 7.943 -3.190 -28.567 244 HG21 VAL 29 HG21 VAL 29 6.677 -2.147 -30.355 245 HG22 VAL 29 HG22 VAL 29 5.364 -1.491 -29.377 246 HG23 VAL 29 HG23 VAL 29 6.366 -0.411 -30.347 247 H GLN 30 H GLN 30 6.957 -2.667 -25.226 248 HA GLN 30 HA GLN 30 8.536 -0.742 -23.749 249 HB2 GLN 30 HB2 GLN 30 6.878 -2.121 -22.579 250 HB3 GLN 30 HB3 GLN 30 7.739 -3.576 -23.061 251 HG2 GLN 30 HG2 GLN 30 9.669 -2.887 -21.752 252 HG3 GLN 30 HG3 GLN 30 8.835 -1.404 -21.290 253 HE21 GLN 30 HE21 GLN 30 7.814 -1.433 -19.424 254 HE22 GLN 30 HE22 GLN 30 7.282 -2.841 -18.576 255 H LYS 31 H LYS 31 10.544 -0.491 -24.553 256 HA LYS 31 HA LYS 31 12.080 -2.695 -25.574 257 HB2 LYS 31 HB2 LYS 31 12.129 0.000 -25.997 258 HB3 LYS 31 HB3 LYS 31 13.502 -0.201 -24.917 259 HG2 LYS 31 HG2 LYS 31 14.264 -0.319 -27.184 260 HG3 LYS 31 HG3 LYS 31 14.407 -1.918 -26.450 261 HD2 LYS 31 HD2 LYS 31 12.611 -2.769 -27.661 262 HD3 LYS 31 HD3 LYS 31 11.959 -1.166 -28.006 263 HE2 LYS 31 HE2 LYS 31 12.945 -2.124 -30.005 264 HE3 LYS 31 HE3 LYS 31 13.872 -0.720 -29.478 265 HZ1 LYS 31 HZ1 LYS 31 15.677 -1.961 -29.155 266 HZ2 LYS 31 HZ2 LYS 31 14.895 -3.167 -30.047 267 HZ3 LYS 31 HZ3 LYS 31 14.824 -3.184 -28.357 268 H ASN 32 H ASN 32 14.326 -3.104 -24.762 269 HA ASN 32 HA ASN 32 14.325 -4.115 -22.201 270 HB2 ASN 32 HB2 ASN 32 15.985 -4.594 -24.057 271 HB3 ASN 32 HB3 ASN 32 16.811 -3.110 -23.591 272 HD21 ASN 32 HD21 ASN 32 18.556 -4.756 -23.321 273 HD22 ASN 32 HD22 ASN 32 18.704 -5.504 -21.770 274 H ASP 33 H ASP 33 16.109 -1.189 -23.199 275 HA ASP 33 HA ASP 33 15.668 -0.120 -20.489 276 HB2 ASP 33 HB2 ASP 33 18.133 0.177 -22.218 277 HB3 ASP 33 HB3 ASP 33 17.873 1.003 -20.684 278 H GLU 34 H GLU 34 14.325 0.223 -23.206 279 HA GLU 34 HA GLU 34 14.242 3.147 -23.095 280 HB2 GLU 34 HB2 GLU 34 14.517 1.563 -25.656 281 HB3 GLU 34 HB3 GLU 34 14.245 3.297 -25.553 282 HG2 GLU 34 HG2 GLU 34 16.385 3.657 -24.583 283 HG3 GLU 34 HG3 GLU 34 16.645 1.926 -24.374 284 H GLU 35 H GLU 35 12.414 3.818 -24.837 285 HA GLU 35 HA GLU 35 10.150 1.976 -24.608 286 HB2 GLU 35 HB2 GLU 35 10.244 4.800 -23.567 287 HB3 GLU 35 HB3 GLU 35 8.726 4.017 -23.982 288 HG2 GLU 35 HG2 GLU 35 9.008 2.372 -22.308 289 HG3 GLU 35 HG3 GLU 35 10.686 2.839 -22.036 290 H ARG 36 H ARG 36 9.067 1.823 -26.458 291 HA ARG 36 HA ARG 36 9.186 4.070 -28.355 292 HE ARG 36 HE ARG 36 13.715 2.357 -29.591 293 HB2 ARG 36 HB2 ARG 36 9.562 1.134 -28.952 294 HB3 ARG 36 HB3 ARG 36 9.258 2.345 -30.189 295 HG2 ARG 36 HG2 ARG 36 11.314 3.464 -29.692 296 HG3 ARG 36 HG3 ARG 36 11.590 2.427 -28.291 297 HD2 ARG 36 HD2 ARG 36 11.763 0.483 -29.763 298 HD3 ARG 36 HD3 ARG 36 11.472 1.514 -31.164 299 HH11 ARG 36 HH11 ARG 36 12.658 0.196 -32.107 300 HH12 ARG 36 HH12 ARG 36 14.231 0.043 -32.816 301 HH21 ARG 36 HH21 ARG 36 15.791 2.165 -30.516 302 HH22 ARG 36 HH22 ARG 36 16.013 1.163 -31.911 303 H LEU 37 H LEU 37 7.486 3.827 -30.108 304 HA LEU 37 HA LEU 37 5.081 2.446 -29.172 305 HG LEU 37 HG LEU 37 3.007 3.554 -28.635 306 HB2 LEU 37 HB2 LEU 37 5.178 4.882 -28.407 307 HB3 LEU 37 HB3 LEU 37 4.965 5.297 -30.107 308 HD11 LEU 37 HD11 LEU 37 3.533 6.099 -27.840 309 HD12 LEU 37 HD12 LEU 37 1.971 5.297 -27.681 310 HD13 LEU 37 HD13 LEU 37 2.280 6.362 -29.052 311 HD21 LEU 37 HD21 LEU 37 1.777 5.123 -30.586 312 HD22 LEU 37 HD22 LEU 37 2.139 3.399 -30.674 313 HD23 LEU 37 HD23 LEU 37 3.286 4.576 -31.316 314 H ALA 38 H ALA 38 3.826 1.638 -30.775 315 HA ALA 38 HA ALA 38 4.305 2.517 -33.528 316 HB1 ALA 38 HB1 ALA 38 5.507 0.702 -33.983 317 HB2 ALA 38 HB2 ALA 38 5.143 -0.016 -32.413 318 HB3 ALA 38 HB3 ALA 38 4.029 -0.236 -33.762 319 H GLU 39 H GLU 39 2.700 1.266 -35.027 320 HA GLU 39 HA GLU 39 0.073 1.316 -33.697 321 HB2 GLU 39 HB2 GLU 39 0.782 2.970 -35.637 322 HB3 GLU 39 HB3 GLU 39 0.349 1.605 -36.656 323 HG2 GLU 39 HG2 GLU 39 -1.885 1.619 -35.892 324 HG3 GLU 39 HG3 GLU 39 -1.502 2.731 -34.579 325 H ILE 40 H ILE 40 -1.557 -0.158 -34.484 326 HA ILE 40 HA ILE 40 -0.382 -2.720 -35.289 327 HB ILE 40 HB ILE 40 -3.112 -2.150 -34.130 328 HG12 ILE 40 HG12 ILE 40 -1.296 -1.721 -32.529 329 HG13 ILE 40 HG13 ILE 40 -2.224 -3.145 -32.072 330 HG21 ILE 40 HG21 ILE 40 -1.913 -4.513 -35.337 331 HG22 ILE 40 HG22 ILE 40 -2.539 -4.804 -33.715 332 HG23 ILE 40 HG23 ILE 40 -3.601 -4.162 -34.967 333 HD11 ILE 40 HD11 ILE 40 -0.441 -4.525 -33.174 334 HD12 ILE 40 HD12 ILE 40 0.507 -3.046 -33.314 335 HD13 ILE 40 HD13 ILE 40 0.054 -3.655 -31.722 336 H LEU 41 H LEU 41 -0.692 -3.515 -37.259 337 HA LEU 41 HA LEU 41 -2.681 -2.226 -38.990 338 HG LEU 41 HG LEU 41 0.420 -1.645 -39.082 339 HB2 LEU 41 HB2 LEU 41 -0.261 -3.898 -39.643 340 HB3 LEU 41 HB3 LEU 41 -1.399 -3.286 -40.842 341 HD11 LEU 41 HD11 LEU 41 1.537 -1.061 -41.134 342 HD12 LEU 41 HD12 LEU 41 0.389 -2.015 -42.073 343 HD13 LEU 41 HD13 LEU 41 1.506 -2.816 -40.968 344 HD21 LEU 41 HD21 LEU 41 -0.459 0.192 -40.678 345 HD22 LEU 41 HD22 LEU 41 -1.448 -0.291 -39.299 346 HD23 LEU 41 HD23 LEU 41 -1.827 -0.897 -40.912 347 H SER 42 H SER 42 -1.249 -5.488 -38.858 348 HA SER 42 HA SER 42 -3.973 -6.583 -39.129 349 HG SER 42 HG SER 42 -3.173 -7.947 -42.072 350 HB2 SER 42 HB2 SER 42 -1.460 -7.195 -40.568 351 HB3 SER 42 HB3 SER 42 -2.431 -8.589 -40.096 352 H ILE 43 H ILE 43 -4.206 -8.823 -38.290 353 HA ILE 43 HA ILE 43 -2.360 -9.472 -36.111 354 HB ILE 43 HB ILE 43 -5.352 -9.357 -35.723 355 HG12 ILE 43 HG12 ILE 43 -3.197 -7.535 -34.630 356 HG13 ILE 43 HG13 ILE 43 -4.351 -7.106 -35.888 357 HG21 ILE 43 HG21 ILE 43 -3.936 -9.440 -33.285 358 HG22 ILE 43 HG22 ILE 43 -4.994 -10.671 -33.973 359 HG23 ILE 43 HG23 ILE 43 -3.265 -10.701 -34.319 360 HD11 ILE 43 HD11 ILE 43 -4.643 -7.071 -33.018 361 HD12 ILE 43 HD12 ILE 43 -5.637 -6.320 -34.266 362 HD13 ILE 43 HD13 ILE 43 -5.927 -7.995 -33.796 363 H ASN 44 H ASN 44 -2.065 -11.617 -35.791 364 HA ASN 44 HA ASN 44 -3.498 -13.422 -37.601 365 HB2 ASN 44 HB2 ASN 44 -0.770 -13.209 -36.735 366 HB3 ASN 44 HB3 ASN 44 -1.397 -14.792 -36.285 367 HD21 ASN 44 HD21 ASN 44 0.437 -13.563 -38.465 368 HD22 ASN 44 HD22 ASN 44 -0.076 -14.383 -39.896 369 H THR 45 H THR 45 -4.494 -15.297 -36.887 370 HA THR 45 HA THR 45 -4.686 -15.706 -33.988 371 HB THR 45 HB THR 45 -7.149 -16.143 -34.256 372 HG1 THR 45 HG1 THR 45 -7.650 -16.266 -36.336 373 HG21 THR 45 HG21 THR 45 -5.771 -13.721 -33.921 374 HG22 THR 45 HG22 THR 45 -7.418 -14.096 -33.416 375 HG23 THR 45 HG23 THR 45 -7.124 -13.363 -34.993 376 H ARG 46 H ARG 46 -3.370 -17.090 -36.296 377 HA ARG 46 HA ARG 46 -4.827 -19.551 -36.640 378 HE ARG 46 HE ARG 46 -0.264 -20.101 -37.593 379 HB2 ARG 46 HB2 ARG 46 -3.406 -18.704 -38.439 380 HB3 ARG 46 HB3 ARG 46 -1.997 -18.801 -37.392 381 HG2 ARG 46 HG2 ARG 46 -2.446 -21.282 -37.230 382 HG3 ARG 46 HG3 ARG 46 -3.611 -21.058 -38.537 383 HD2 ARG 46 HD2 ARG 46 -1.434 -21.780 -39.387 384 HD3 ARG 46 HD3 ARG 46 -1.854 -20.169 -39.969 385 HH11 ARG 46 HH11 ARG 46 -0.153 -20.440 -41.056 386 HH12 ARG 46 HH12 ARG 46 1.473 -19.858 -41.192 387 HH21 ARG 46 HH21 ARG 46 1.877 -19.332 -37.758 388 HH22 ARG 46 HH22 ARG 46 2.627 -19.229 -39.315 389 H LYS 47 H LYS 47 -1.730 -18.681 -35.101 390 HA LYS 47 HA LYS 47 -2.089 -20.990 -33.306 391 HB2 LYS 47 HB2 LYS 47 0.486 -19.937 -34.491 392 HB3 LYS 47 HB3 LYS 47 0.397 -21.171 -33.241 393 HG2 LYS 47 HG2 LYS 47 -1.129 -21.625 -35.744 394 HG3 LYS 47 HG3 LYS 47 0.629 -21.779 -35.800 395 HD2 LYS 47 HD2 LYS 47 0.047 -23.926 -35.247 396 HD3 LYS 47 HD3 LYS 47 0.237 -23.229 -33.637 397 HE2 LYS 47 HE2 LYS 47 -2.082 -23.039 -33.328 398 HE3 LYS 47 HE3 LYS 47 -2.414 -23.253 -35.046 399 HZ1 LYS 47 HZ1 LYS 47 -1.516 -25.309 -33.111 400 HZ2 LYS 47 HZ2 LYS 47 -1.511 -25.556 -34.784 401 HZ3 LYS 47 HZ3 LYS 47 -2.968 -25.267 -33.977 402 H ALA 48 H ALA 48 -1.225 -20.762 -31.174 403 HA ALA 48 HA ALA 48 -1.126 -17.956 -30.300 404 HB1 ALA 48 HB1 ALA 48 -2.147 -20.454 -29.059 405 HB2 ALA 48 HB2 ALA 48 -1.504 -19.201 -27.997 406 HB3 ALA 48 HB3 ALA 48 -2.843 -18.834 -29.083 407 HA PRO 49 HA PRO 49 -0.770 -17.138 -28.101 408 HB2 PRO 49 HB2 PRO 49 0.940 -15.064 -27.722 409 HB3 PRO 49 HB3 PRO 49 0.737 -16.368 -26.547 410 HG2 PRO 49 HG2 PRO 49 2.873 -15.993 -28.610 411 HG3 PRO 49 HG3 PRO 49 3.027 -16.513 -26.922 412 HD2 PRO 49 HD2 PRO 49 3.071 -18.257 -28.993 413 HD3 PRO 49 HD3 PRO 49 2.409 -18.681 -27.401 414 HA PRO 50 HA PRO 50 -1.585 -14.832 -31.757 415 HB2 PRO 50 HB2 PRO 50 -2.737 -12.590 -30.747 416 HB3 PRO 50 HB3 PRO 50 -3.546 -14.161 -30.766 417 HG2 PRO 50 HG2 PRO 50 -2.102 -12.801 -28.524 418 HG3 PRO 50 HG3 PRO 50 -3.639 -13.684 -28.492 419 HD2 PRO 50 HD2 PRO 50 -1.308 -14.787 -27.668 420 HD3 PRO 50 HD3 PRO 50 -2.601 -15.741 -28.423 421 H LYS 51 H LYS 51 -0.784 -13.204 -33.064 422 HA LYS 51 HA LYS 51 1.345 -11.543 -31.882 423 HB2 LYS 51 HB2 LYS 51 1.201 -12.535 -34.732 424 HB3 LYS 51 HB3 LYS 51 2.537 -11.674 -33.980 425 HG2 LYS 51 HG2 LYS 51 3.431 -13.574 -33.284 426 HG3 LYS 51 HG3 LYS 51 1.935 -14.027 -32.464 427 HD2 LYS 51 HD2 LYS 51 1.901 -14.314 -35.393 428 HD3 LYS 51 HD3 LYS 51 3.012 -15.391 -34.543 429 HE2 LYS 51 HE2 LYS 51 0.332 -15.155 -33.354 430 HE3 LYS 51 HE3 LYS 51 0.380 -15.903 -34.949 431 HZ1 LYS 51 HZ1 LYS 51 0.996 -17.072 -32.504 432 HZ2 LYS 51 HZ2 LYS 51 2.450 -16.960 -33.361 433 HZ3 LYS 51 HZ3 LYS 51 1.127 -17.763 -34.042 434 H PHE 52 H PHE 52 1.846 -9.590 -33.350 435 HA PHE 52 HA PHE 52 -0.524 -8.494 -34.644 436 HD1 PHE 52 HD1 PHE 52 0.937 -8.606 -30.740 437 HD2 PHE 52 HD2 PHE 52 -2.710 -7.559 -32.668 438 HE1 PHE 52 HE1 PHE 52 -0.327 -9.720 -28.947 439 HE2 PHE 52 HE2 PHE 52 -3.980 -8.670 -30.878 440 HZ PHE 52 HZ PHE 52 -2.788 -9.754 -29.015 441 HB2 PHE 52 HB2 PHE 52 0.870 -6.916 -32.483 442 HB3 PHE 52 HB3 PHE 52 -0.636 -6.526 -33.308 443 H TYR 53 H TYR 53 -0.082 -6.942 -36.180 444 HA TYR 53 HA TYR 53 2.693 -6.789 -37.018 445 HD1 TYR 53 HD1 TYR 53 3.456 -5.027 -39.021 446 HD2 TYR 53 HD2 TYR 53 0.961 -8.270 -40.186 447 HE1 TYR 53 HE1 TYR 53 5.041 -5.594 -40.814 448 HE2 TYR 53 HE2 TYR 53 2.539 -8.848 -41.982 449 HH TYR 53 HH TYR 53 5.634 -7.753 -42.131 450 HB2 TYR 53 HB2 TYR 53 0.321 -6.978 -38.397 451 HB3 TYR 53 HB3 TYR 53 0.726 -5.275 -38.582 452 H VAL 54 H VAL 54 3.958 -5.235 -36.267 453 HA VAL 54 HA VAL 54 2.796 -2.727 -35.328 454 HB VAL 54 HB VAL 54 5.111 -2.259 -34.494 455 HG11 VAL 54 HG11 VAL 54 4.537 -4.868 -33.293 456 HG12 VAL 54 HG12 VAL 54 4.590 -3.265 -32.558 457 HG13 VAL 54 HG13 VAL 54 3.140 -3.798 -33.409 458 HG21 VAL 54 HG21 VAL 54 6.284 -3.692 -36.137 459 HG22 VAL 54 HG22 VAL 54 6.753 -4.028 -34.471 460 HG23 VAL 54 HG23 VAL 54 5.647 -5.114 -35.312 461 H HIS 55 H HIS 55 3.094 -0.790 -36.285 462 HA HIS 55 HA HIS 55 4.925 -0.642 -38.582 463 HD1 HIS 55 HD1 HIS 55 5.009 0.186 -40.908 464 HD2 HIS 55 HD2 HIS 55 1.683 2.527 -40.060 465 HE1 HIS 55 HE1 HIS 55 5.079 2.079 -42.562 466 HB2 HIS 55 HB2 HIS 55 2.687 -0.915 -39.485 467 HB3 HIS 55 HB3 HIS 55 2.084 0.391 -38.469 468 H TYR 56 H TYR 56 5.814 1.407 -39.010 469 HA TYR 56 HA TYR 56 5.789 3.190 -36.684 470 HD1 TYR 56 HD1 TYR 56 7.396 0.538 -37.190 471 HD2 TYR 56 HD2 TYR 56 9.388 4.185 -36.276 472 HE1 TYR 56 HE1 TYR 56 8.670 -0.607 -35.425 473 HE2 TYR 56 HE2 TYR 56 10.669 3.050 -34.510 474 HH TYR 56 HH TYR 56 9.855 0.060 -33.283 475 HB2 TYR 56 HB2 TYR 56 7.763 2.675 -38.885 476 HB3 TYR 56 HB3 TYR 56 7.833 4.176 -37.968 477 H VAL 57 H VAL 57 4.686 5.021 -36.769 478 HA VAL 57 HA VAL 57 3.337 5.907 -39.089 479 HB VAL 57 HB VAL 57 2.661 7.840 -37.789 480 HG11 VAL 57 HG11 VAL 57 1.193 6.483 -36.826 481 HG12 VAL 57 HG12 VAL 57 2.315 5.130 -36.982 482 HG13 VAL 57 HG13 VAL 57 2.354 6.149 -35.542 483 HG21 VAL 57 HG21 VAL 57 3.579 7.878 -35.348 484 HG22 VAL 57 HG22 VAL 57 4.950 7.021 -36.053 485 HG23 VAL 57 HG23 VAL 57 4.509 8.622 -36.648 486 H ASN 58 H ASN 58 3.833 7.401 -40.598 487 HA ASN 58 HA ASN 58 5.139 8.713 -41.925 488 HB2 ASN 58 HB2 ASN 58 6.200 9.909 -39.367 489 HB3 ASN 58 HB3 ASN 58 5.989 10.696 -40.929 490 HD21 ASN 58 HD21 ASN 58 3.879 11.210 -41.627 491 HD22 ASN 58 HD22 ASN 58 2.586 11.387 -40.494 492 H TYR 59 H TYR 59 6.243 6.219 -41.442 493 HA TYR 59 HA TYR 59 9.099 6.853 -41.628 494 HD1 TYR 59 HD1 TYR 59 10.584 7.209 -39.538 495 HD2 TYR 59 HD2 TYR 59 10.142 3.052 -40.330 496 HE1 TYR 59 HE1 TYR 59 13.001 6.896 -39.210 497 HE2 TYR 59 HE2 TYR 59 12.558 2.727 -40.003 498 HH TYR 59 HH TYR 59 14.754 5.004 -40.140 499 HB2 TYR 59 HB2 TYR 59 8.330 5.909 -39.316 500 HB3 TYR 59 HB3 TYR 59 8.242 4.374 -40.172 501 H ASN 60 H ASN 60 10.345 4.927 -42.500 502 HA ASN 60 HA ASN 60 9.353 4.197 -44.994 503 HB2 ASN 60 HB2 ASN 60 11.783 4.104 -43.925 504 HB3 ASN 60 HB3 ASN 60 11.347 2.417 -43.666 505 HD21 ASN 60 HD21 ASN 60 11.491 4.922 -46.152 506 HD22 ASN 60 HD22 ASN 60 11.856 3.851 -47.459 507 H LYS 61 H LYS 61 9.338 1.745 -45.664 508 HA LYS 61 HA LYS 61 7.305 0.467 -43.977 509 HB2 LYS 61 HB2 LYS 61 6.822 -0.885 -46.033 510 HB3 LYS 61 HB3 LYS 61 6.535 0.841 -46.212 511 HG2 LYS 61 HG2 LYS 61 9.225 -0.024 -46.981 512 HG3 LYS 61 HG3 LYS 61 7.924 -0.699 -47.963 513 HD2 LYS 61 HD2 LYS 61 7.992 2.230 -47.341 514 HD3 LYS 61 HD3 LYS 61 8.985 1.570 -48.642 515 HE2 LYS 61 HE2 LYS 61 7.179 1.051 -49.941 516 HE3 LYS 61 HE3 LYS 61 6.117 0.802 -48.557 517 HZ1 LYS 61 HZ1 LYS 61 6.566 3.396 -48.328 518 HZ2 LYS 61 HZ2 LYS 61 5.298 2.769 -49.256 519 HZ3 LYS 61 HZ3 LYS 61 6.737 3.250 -50.005 520 H ARG 62 H ARG 62 10.502 0.067 -45.252 521 HA ARG 62 HA ARG 62 10.870 -2.669 -45.119 522 HE ARG 62 HE ARG 62 14.850 0.930 -46.264 523 HB2 ARG 62 HB2 ARG 62 13.212 -2.240 -44.939 524 HB3 ARG 62 HB3 ARG 62 12.525 -0.964 -45.936 525 HG2 ARG 62 HG2 ARG 62 12.585 0.576 -44.080 526 HG3 ARG 62 HG3 ARG 62 13.151 -0.702 -43.003 527 HD2 ARG 62 HD2 ARG 62 15.163 0.219 -43.504 528 HD3 ARG 62 HD3 ARG 62 15.038 -0.881 -44.877 529 HH11 ARG 62 HH11 ARG 62 14.285 1.944 -42.981 530 HH12 ARG 62 HH12 ARG 62 14.259 3.632 -43.370 531 HH21 ARG 62 HH21 ARG 62 14.817 3.149 -46.788 532 HH22 ARG 62 HH22 ARG 62 14.560 4.317 -45.535 533 H LEU 63 H LEU 63 10.735 -0.316 -42.528 534 HA LEU 63 HA LEU 63 11.665 -2.130 -40.505 535 HG LEU 63 HG LEU 63 11.174 -0.960 -38.013 536 HB2 LEU 63 HB2 LEU 63 11.629 0.510 -40.606 537 HB3 LEU 63 HB3 LEU 63 10.058 0.285 -39.840 538 HD11 LEU 63 HD11 LEU 63 13.325 -1.544 -38.054 539 HD12 LEU 63 HD12 LEU 63 13.835 0.047 -38.617 540 HD13 LEU 63 HD13 LEU 63 13.278 -1.160 -39.775 541 HD21 LEU 63 HD21 LEU 63 10.776 1.601 -38.128 542 HD22 LEU 63 HD22 LEU 63 12.532 1.692 -38.272 543 HD23 LEU 63 HD23 LEU 63 11.801 0.941 -36.853 544 H ASP 64 H ASP 64 8.583 -1.199 -41.845 545 HA ASP 64 HA ASP 64 6.823 -1.979 -39.867 546 HB2 ASP 64 HB2 ASP 64 6.279 -0.923 -42.112 547 HB3 ASP 64 HB3 ASP 64 6.384 -2.541 -42.800 548 H GLU 65 H GLU 65 7.011 -3.799 -38.719 549 HA GLU 65 HA GLU 65 6.983 -6.342 -40.178 550 HB2 GLU 65 HB2 GLU 65 8.569 -7.307 -38.532 551 HB3 GLU 65 HB3 GLU 65 9.290 -6.052 -39.529 552 HG2 GLU 65 HG2 GLU 65 10.091 -5.454 -37.486 553 HG3 GLU 65 HG3 GLU 65 8.605 -4.507 -37.523 554 H TRP 66 H TRP 66 6.712 -8.172 -38.367 555 HA TRP 66 HA TRP 66 4.567 -7.264 -36.561 556 HD1 TRP 66 HD1 TRP 66 5.711 -9.171 -40.101 557 HE1 TRP 66 HE1 TRP 66 6.540 -11.533 -40.699 558 HE3 TRP 66 HE3 TRP 66 3.690 -11.757 -36.181 559 HZ2 TRP 66 HZ2 TRP 66 6.361 -14.147 -39.649 560 HZ3 TRP 66 HZ3 TRP 66 4.065 -14.186 -36.052 561 HH2 TRP 66 HH2 TRP 66 5.372 -15.354 -37.752 562 HB2 TRP 66 HB2 TRP 66 3.466 -9.460 -36.950 563 HB3 TRP 66 HB3 TRP 66 3.566 -8.473 -38.405 564 H ILE 67 H ILE 67 4.540 -8.080 -34.510 565 HA ILE 67 HA ILE 67 6.616 -10.045 -33.810 566 HB ILE 67 HB ILE 67 6.862 -8.778 -31.623 567 HG12 ILE 67 HG12 ILE 67 5.745 -6.473 -33.220 568 HG13 ILE 67 HG13 ILE 67 4.782 -7.384 -32.062 569 HG21 ILE 67 HG21 ILE 67 8.788 -8.229 -32.575 570 HG22 ILE 67 HG22 ILE 67 8.060 -8.375 -34.174 571 HG23 ILE 67 HG23 ILE 67 8.012 -6.832 -33.320 572 HD11 ILE 67 HD11 ILE 67 7.250 -5.768 -31.481 573 HD12 ILE 67 HD12 ILE 67 5.590 -5.379 -31.030 574 HD13 ILE 67 HD13 ILE 67 6.400 -6.766 -30.302 575 H THR 68 H THR 68 6.226 -10.701 -31.370 576 HA THR 68 HA THR 68 3.427 -11.562 -31.235 577 HB THR 68 HB THR 68 4.144 -13.323 -29.761 578 HG1 THR 68 HG1 THR 68 6.844 -12.573 -29.926 579 HG21 THR 68 HG21 THR 68 5.152 -12.989 -32.396 580 HG22 THR 68 HG22 THR 68 4.771 -14.489 -31.551 581 HG23 THR 68 HG23 THR 68 6.391 -13.801 -31.439 582 H THR 69 H THR 69 2.993 -12.113 -28.674 583 HA THR 69 HA THR 69 2.614 -9.534 -27.504 584 HB THR 69 HB THR 69 0.985 -11.410 -27.258 585 HG1 THR 69 HG1 THR 69 0.711 -11.003 -24.923 586 HG21 THR 69 HG21 THR 69 1.397 -13.294 -26.001 587 HG22 THR 69 HG22 THR 69 2.674 -12.522 -25.063 588 HG23 THR 69 HG23 THR 69 2.984 -13.033 -26.722 589 H ASP 70 H ASP 70 5.018 -11.986 -27.250 590 HA ASP 70 HA ASP 70 6.009 -11.640 -24.692 591 HB2 ASP 70 HB2 ASP 70 7.428 -12.245 -27.286 592 HB3 ASP 70 HB3 ASP 70 8.252 -12.253 -25.728 593 H ARG 71 H ARG 71 6.248 -9.543 -27.456 594 HA ARG 71 HA ARG 71 8.044 -7.756 -25.959 595 HE ARG 71 HE ARG 71 8.470 -9.718 -31.035 596 HB2 ARG 71 HB2 ARG 71 7.427 -7.820 -28.919 597 HB3 ARG 71 HB3 ARG 71 8.526 -6.695 -28.131 598 HG2 ARG 71 HG2 ARG 71 10.074 -8.397 -27.630 599 HG3 ARG 71 HG3 ARG 71 8.911 -9.669 -28.008 600 HD2 ARG 71 HD2 ARG 71 9.427 -7.802 -30.207 601 HD3 ARG 71 HD3 ARG 71 10.832 -8.743 -29.707 602 HH11 ARG 71 HH11 ARG 71 11.211 -10.546 -29.055 603 HH12 ARG 71 HH12 ARG 71 11.211 -12.213 -29.525 604 HH21 ARG 71 HH21 ARG 71 8.460 -11.911 -31.661 605 HH22 ARG 71 HH22 ARG 71 9.647 -12.989 -31.007 606 H ILE 72 H ILE 72 4.869 -8.128 -27.192 607 HA ILE 72 HA ILE 72 4.292 -5.268 -26.906 608 HB ILE 72 HB ILE 72 2.553 -7.484 -27.997 609 HG12 ILE 72 HG12 ILE 72 3.980 -5.240 -29.441 610 HG13 ILE 72 HG13 ILE 72 4.527 -6.913 -29.399 611 HG21 ILE 72 HG21 ILE 72 1.886 -4.889 -27.055 612 HG22 ILE 72 HG22 ILE 72 1.697 -4.907 -28.808 613 HG23 ILE 72 HG23 ILE 72 0.840 -6.087 -27.817 614 HD11 ILE 72 HD11 ILE 72 2.693 -7.645 -30.676 615 HD12 ILE 72 HD12 ILE 72 1.836 -6.119 -30.460 616 HD13 ILE 72 HD13 ILE 72 3.284 -6.183 -31.465 617 H ASN 73 H ASN 73 3.501 -4.546 -25.054 618 HA ASN 73 HA ASN 73 2.382 -6.428 -23.129 619 HB2 ASN 73 HB2 ASN 73 4.134 -4.700 -22.509 620 HB3 ASN 73 HB3 ASN 73 2.885 -3.477 -22.725 621 HD21 ASN 73 HD21 ASN 73 3.268 -2.969 -20.494 622 HD22 ASN 73 HD22 ASN 73 2.512 -3.909 -19.257 623 H LEU 74 H LEU 74 0.270 -6.772 -23.080 624 HA LEU 74 HA LEU 74 -1.657 -5.441 -24.538 625 HG LEU 74 HG LEU 74 -3.159 -8.630 -23.500 626 HB2 LEU 74 HB2 LEU 74 -1.667 -7.281 -22.230 627 HB3 LEU 74 HB3 LEU 74 -3.144 -6.353 -22.487 628 HD11 LEU 74 HD11 LEU 74 -3.962 -7.842 -25.745 629 HD12 LEU 74 HD12 LEU 74 -3.434 -6.224 -25.286 630 HD13 LEU 74 HD13 LEU 74 -4.694 -7.036 -24.357 631 HD21 LEU 74 HD21 LEU 74 -0.838 -8.784 -24.171 632 HD22 LEU 74 HD22 LEU 74 -1.045 -7.438 -25.292 633 HD23 LEU 74 HD23 LEU 74 -1.883 -8.963 -25.580 634 H ASP 75 H ASP 75 -3.573 -4.238 -23.635 635 HA ASP 75 HA ASP 75 -2.589 -2.070 -21.925 636 HB2 ASP 75 HB2 ASP 75 -3.432 -1.296 -24.035 637 HB3 ASP 75 HB3 ASP 75 -4.913 -2.229 -23.847 638 H LYS 76 H LYS 76 -5.663 -3.812 -22.434 639 HA LYS 76 HA LYS 76 -6.915 -3.056 -20.083 640 HB2 LYS 76 HB2 LYS 76 -7.210 -5.278 -22.011 641 HB3 LYS 76 HB3 LYS 76 -7.915 -5.551 -20.423 642 HG2 LYS 76 HG2 LYS 76 -8.495 -3.124 -22.102 643 HG3 LYS 76 HG3 LYS 76 -9.469 -4.596 -22.132 644 HD2 LYS 76 HD2 LYS 76 -10.093 -4.333 -19.856 645 HD3 LYS 76 HD3 LYS 76 -8.893 -3.063 -19.605 646 HE2 LYS 76 HE2 LYS 76 -11.098 -2.742 -21.611 647 HE3 LYS 76 HE3 LYS 76 -11.362 -2.389 -19.904 648 HZ1 LYS 76 HZ1 LYS 76 -10.687 -0.455 -21.324 649 HZ2 LYS 76 HZ2 LYS 76 -9.162 -1.173 -21.473 650 HZ3 LYS 76 HZ3 LYS 76 -9.731 -0.705 -19.951 651 H GLU 77 H GLU 77 -7.425 -4.447 -18.186 652 HA GLU 77 HA GLU 77 -5.040 -5.956 -17.334 653 HB2 GLU 77 HB2 GLU 77 -5.339 -5.154 -15.105 654 HB3 GLU 77 HB3 GLU 77 -5.398 -3.758 -16.173 655 HG2 GLU 77 HG2 GLU 77 -7.900 -3.921 -16.084 656 HG3 GLU 77 HG3 GLU 77 -7.701 -5.131 -14.817 657 H VAL 78 H VAL 78 -5.470 -7.592 -15.636 658 HA VAL 78 HA VAL 78 -7.408 -9.433 -16.455 659 HB VAL 78 HB VAL 78 -5.871 -9.230 -13.868 660 HG11 VAL 78 HG11 VAL 78 -8.102 -10.957 -14.580 661 HG12 VAL 78 HG12 VAL 78 -6.653 -11.858 -14.130 662 HG13 VAL 78 HG13 VAL 78 -7.341 -10.677 -13.014 663 HG21 VAL 78 HG21 VAL 78 -5.122 -9.983 -16.453 664 HG22 VAL 78 HG22 VAL 78 -4.215 -10.235 -14.961 665 HG23 VAL 78 HG23 VAL 78 -5.298 -11.492 -15.558 666 H LEU 79 H LEU 79 -9.533 -9.431 -16.187 667 HA LEU 79 HA LEU 79 -10.657 -8.285 -13.727 668 HG LEU 79 HG LEU 79 -10.451 -6.092 -14.335 669 HB2 LEU 79 HB2 LEU 79 -11.254 -7.576 -16.542 670 HB3 LEU 79 HB3 LEU 79 -12.618 -7.679 -15.431 671 HD11 LEU 79 HD11 LEU 79 -11.669 -5.193 -16.942 672 HD12 LEU 79 HD12 LEU 79 -9.973 -5.580 -16.657 673 HD13 LEU 79 HD13 LEU 79 -10.705 -4.188 -15.860 674 HD21 LEU 79 HD21 LEU 79 -13.388 -5.948 -14.730 675 HD22 LEU 79 HD22 LEU 79 -12.520 -4.435 -14.467 676 HD23 LEU 79 HD23 LEU 79 -12.427 -5.725 -13.268 677 H TYR 80 H TYR 80 -10.984 -10.355 -12.899 678 HA TYR 80 HA TYR 80 -13.000 -11.967 -14.321 679 HD1 TYR 80 HD1 TYR 80 -12.387 -13.938 -15.672 680 HD2 TYR 80 HD2 TYR 80 -8.795 -12.874 -13.655 681 HE1 TYR 80 HE1 TYR 80 -11.100 -14.466 -17.699 682 HE2 TYR 80 HE2 TYR 80 -7.497 -13.398 -15.678 683 HH TYR 80 HH TYR 80 -9.097 -14.522 -18.646 684 HB2 TYR 80 HB2 TYR 80 -10.777 -12.855 -12.476 685 HB3 TYR 80 HB3 TYR 80 -12.072 -13.913 -13.026 686 HA PRO 81 HA PRO 81 -15.089 -10.452 -10.525 687 HB2 PRO 81 HB2 PRO 81 -17.546 -10.342 -11.676 688 HB3 PRO 81 HB3 PRO 81 -16.364 -9.034 -11.807 689 HG2 PRO 81 HG2 PRO 81 -17.026 -11.194 -13.772 690 HG3 PRO 81 HG3 PRO 81 -16.742 -9.467 -14.060 691 HD2 PRO 81 HD2 PRO 81 -14.851 -11.351 -14.517 692 HD3 PRO 81 HD3 PRO 81 -14.451 -9.703 -13.990 693 H LYS 82 H LYS 82 -15.095 -12.220 -9.225 694 HA LYS 82 HA LYS 82 -17.293 -14.076 -9.504 695 HB2 LYS 82 HB2 LYS 82 -14.425 -14.922 -9.783 696 HB3 LYS 82 HB3 LYS 82 -15.621 -16.027 -9.118 697 HG2 LYS 82 HG2 LYS 82 -16.936 -15.329 -11.310 698 HG3 LYS 82 HG3 LYS 82 -15.296 -15.015 -11.884 699 HD2 LYS 82 HD2 LYS 82 -15.971 -17.598 -10.524 700 HD3 LYS 82 HD3 LYS 82 -16.326 -17.365 -12.238 701 HE2 LYS 82 HE2 LYS 82 -14.094 -17.206 -12.812 702 HE3 LYS 82 HE3 LYS 82 -13.604 -16.724 -11.189 703 HZ1 LYS 82 HZ1 LYS 82 -13.050 -18.829 -10.850 704 HZ2 LYS 82 HZ2 LYS 82 -13.729 -19.322 -12.320 705 HZ3 LYS 82 HZ3 LYS 82 -14.688 -19.244 -10.929 706 H LEU 83 H LEU 83 -18.160 -14.277 -7.555 707 HA LEU 83 HA LEU 83 -17.131 -13.206 -5.222 708 HG LEU 83 HG LEU 83 -19.848 -13.402 -6.637 709 HB2 LEU 83 HB2 LEU 83 -19.077 -15.492 -5.502 710 HB3 LEU 83 HB3 LEU 83 -18.821 -14.540 -4.040 711 HD11 LEU 83 HD11 LEU 83 -21.477 -14.019 -4.189 712 HD12 LEU 83 HD12 LEU 83 -21.335 -15.138 -5.544 713 HD13 LEU 83 HD13 LEU 83 -22.040 -13.541 -5.790 714 HD21 LEU 83 HD21 LEU 83 -20.556 -11.544 -5.143 715 HD22 LEU 83 HD22 LEU 83 -18.807 -11.735 -5.262 716 HD23 LEU 83 HD23 LEU 83 -19.662 -12.313 -3.831 717 H LYS 84 H LYS 84 -15.865 -13.917 -3.587 718 HA LYS 84 HA LYS 84 -15.048 -16.718 -3.508 719 HB2 LYS 84 HB2 LYS 84 -13.434 -15.316 -4.937 720 HB3 LYS 84 HB3 LYS 84 -12.954 -14.555 -3.426 721 HG2 LYS 84 HG2 LYS 84 -11.381 -16.249 -3.796 722 HG3 LYS 84 HG3 LYS 84 -12.475 -16.895 -2.570 723 HD2 LYS 84 HD2 LYS 84 -13.739 -17.850 -4.670 724 HD3 LYS 84 HD3 LYS 84 -12.160 -17.659 -5.436 725 HE2 LYS 84 HE2 LYS 84 -11.130 -19.095 -3.829 726 HE3 LYS 84 HE3 LYS 84 -12.591 -19.131 -2.843 727 HZ1 LYS 84 HZ1 LYS 84 -12.223 -20.327 -5.534 728 HZ2 LYS 84 HZ2 LYS 84 -13.715 -20.227 -4.743 729 HZ3 LYS 84 HZ3 LYS 84 -12.465 -21.148 -4.075 730 H ALA 85 H ALA 85 -14.587 -17.453 -1.483 731 HA ALA 85 HA ALA 85 -15.591 -16.152 0.743 732 HB1 ALA 85 HB1 ALA 85 -15.334 -18.454 0.958 733 HB2 ALA 85 HB2 ALA 85 -13.649 -18.412 0.437 734 HB3 ALA 85 HB3 ALA 85 -14.094 -17.803 2.030 735 H THR 86 H THR 86 -14.873 -14.602 2.058 736 HA THR 86 HA THR 86 -12.011 -13.906 1.973 737 HB THR 86 HB THR 86 -13.200 -12.197 0.745 738 HG1 THR 86 HG1 THR 86 -11.806 -10.971 1.763 739 HG21 THR 86 HG21 THR 86 -15.276 -11.559 1.241 740 HG22 THR 86 HG22 THR 86 -14.774 -11.031 2.847 741 HG23 THR 86 HG23 THR 86 -15.267 -12.703 2.583 742 H ASP 87 H ASP 87 -11.032 -13.443 3.892 743 HA ASP 87 HA ASP 87 -10.670 -13.580 6.138 744 HB2 ASP 87 HB2 ASP 87 -12.113 -11.422 5.773 745 HB3 ASP 87 HB3 ASP 87 -13.362 -12.348 6.602 746 H GLU 88 H GLU 88 -11.919 -15.863 4.938 747 HA GLU 88 HA GLU 88 -13.984 -16.803 6.703 748 HB2 GLU 88 HB2 GLU 88 -13.840 -18.882 5.461 749 HB3 GLU 88 HB3 GLU 88 -13.852 -17.523 4.346 750 HG2 GLU 88 HG2 GLU 88 -12.188 -18.748 3.418 751 HG3 GLU 88 HG3 GLU 88 -11.235 -17.786 4.547 752 H ASP 89 H ASP 89 -13.817 -18.169 8.413 753 HA ASP 89 HA ASP 89 -11.087 -18.874 9.274 754 HB2 ASP 89 HB2 ASP 89 -11.745 -18.590 11.541 755 HB3 ASP 89 HB3 ASP 89 -12.354 -17.181 10.677 Start of MODEL 4 1 HA MET -4 HA MET -4 -20.489 -25.846 -4.877 2 H1 MET -4 H1 MET -4 -21.031 -28.440 -3.752 3 HB2 MET -4 HB2 MET -4 -19.938 -27.194 -2.263 4 HB3 MET -4 HB3 MET -4 -19.046 -25.736 -2.680 5 HG2 MET -4 HG2 MET -4 -21.430 -24.785 -3.180 6 HG3 MET -4 HG3 MET -4 -21.945 -26.090 -2.114 7 HE1 MET -4 HE1 MET -4 -21.520 -26.331 0.237 8 HE2 MET -4 HE2 MET -4 -21.276 -24.953 1.311 9 HE3 MET -4 HE3 MET -4 -22.685 -25.006 0.252 10 H GLY -3 H GLY -3 -18.518 -25.013 -5.517 11 HA2 GLY -3 HA2 GLY -3 -16.263 -26.905 -5.657 12 HA3 GLY -3 HA3 GLY -3 -16.789 -26.052 -7.101 13 H SER -2 H SER -2 -14.482 -25.369 -7.044 14 HA SER -2 HA SER -2 -12.951 -23.700 -6.820 15 HG SER -2 HG SER -2 -13.314 -20.675 -6.055 16 HB2 SER -2 HB2 SER -2 -15.274 -22.368 -6.898 17 HB3 SER -2 HB3 SER -2 -14.779 -21.948 -5.258 18 H SER -1 H SER -1 -13.848 -25.624 -4.531 19 HA SER -1 HA SER -1 -12.706 -24.228 -2.239 20 HG SER -1 HG SER -1 -15.376 -26.099 -3.085 21 HB2 SER -1 HB2 SER -1 -13.618 -27.092 -2.206 22 HB3 SER -1 HB3 SER -1 -13.607 -25.917 -0.891 23 H HIS 0 H HIS 0 -12.056 -27.007 -4.321 24 HA HIS 0 HA HIS 0 -9.378 -27.214 -3.112 25 HD1 HIS 0 HD1 HIS 0 -12.438 -30.788 -3.592 26 HD2 HIS 0 HD2 HIS 0 -10.374 -28.365 -0.922 27 HE1 HIS 0 HE1 HIS 0 -13.539 -31.156 -1.361 28 HB2 HIS 0 HB2 HIS 0 -10.774 -29.344 -4.736 29 HB3 HIS 0 HB3 HIS 0 -9.322 -29.520 -3.754 30 H HIS 1 H HIS 1 -10.288 -25.364 -5.239 31 HA HIS 1 HA HIS 1 -8.569 -26.304 -7.440 32 HD1 HIS 1 HD1 HIS 1 -11.952 -27.055 -6.911 33 HD2 HIS 1 HD2 HIS 1 -10.441 -26.266 -10.700 34 HE1 HIS 1 HE1 HIS 1 -12.900 -28.847 -8.400 35 HB2 HIS 1 HB2 HIS 1 -10.983 -24.507 -7.424 36 HB3 HIS 1 HB3 HIS 1 -9.836 -24.485 -8.759 37 H HIS 2 H HIS 2 -6.862 -25.499 -5.870 38 HA HIS 2 HA HIS 2 -6.532 -22.584 -6.036 39 HD1 HIS 2 HD1 HIS 2 -2.823 -23.390 -3.926 40 HD2 HIS 2 HD2 HIS 2 -6.030 -20.750 -3.813 41 HE1 HIS 2 HE1 HIS 2 -1.850 -21.179 -3.227 42 HB2 HIS 2 HB2 HIS 2 -6.427 -23.673 -3.781 43 HB3 HIS 2 HB3 HIS 2 -4.989 -24.537 -4.318 44 H HIS 3 H HIS 3 -5.121 -25.635 -6.963 45 HA HIS 3 HA HIS 3 -2.574 -24.722 -7.734 46 HD1 HIS 3 HD1 HIS 3 -2.868 -28.697 -10.252 47 HD2 HIS 3 HD2 HIS 3 -0.604 -25.448 -8.996 48 HE1 HIS 3 HE1 HIS 3 -0.723 -28.829 -11.557 49 HB2 HIS 3 HB2 HIS 3 -3.109 -27.104 -7.455 50 HB3 HIS 3 HB3 HIS 3 -4.185 -27.029 -8.847 51 H HIS 4 H HIS 4 -1.805 -23.795 -9.558 52 HA HIS 4 HA HIS 4 -3.614 -22.435 -11.271 53 HD1 HIS 4 HD1 HIS 4 -2.850 -22.112 -13.993 54 HD2 HIS 4 HD2 HIS 4 -0.684 -19.360 -11.759 55 HE1 HIS 4 HE1 HIS 4 -2.897 -19.980 -15.325 56 HB2 HIS 4 HB2 HIS 4 -1.211 -21.773 -10.597 57 HB3 HIS 4 HB3 HIS 4 -0.700 -22.854 -11.890 58 H HIS 5 H HIS 5 -4.908 -24.021 -12.246 59 HA HIS 5 HA HIS 5 -3.534 -25.668 -14.267 60 HD1 HIS 5 HD1 HIS 5 -7.244 -27.052 -15.213 61 HD2 HIS 5 HD2 HIS 5 -3.717 -28.971 -14.145 62 HE1 HIS 5 HE1 HIS 5 -7.090 -29.061 -16.717 63 HB2 HIS 5 HB2 HIS 5 -4.706 -26.955 -12.474 64 HB3 HIS 5 HB3 HIS 5 -6.221 -26.220 -12.992 65 H SER 6 H SER 6 -3.599 -24.017 -15.832 66 HA SER 6 HA SER 6 -6.255 -23.131 -16.701 67 HG SER 6 HG SER 6 -5.949 -20.627 -17.448 68 HB2 SER 6 HB2 SER 6 -4.332 -21.489 -16.301 69 HB3 SER 6 HB3 SER 6 -3.613 -22.144 -17.772 70 H SER 7 H SER 7 -3.608 -25.157 -17.599 71 HA SER 7 HA SER 7 -3.268 -26.588 -19.334 72 HG SER 7 HG SER 7 -5.951 -28.136 -20.974 73 HB2 SER 7 HB2 SER 7 -5.669 -27.188 -18.694 74 HB3 SER 7 HB3 SER 7 -6.171 -26.201 -20.066 75 H GLY 8 H GLY 8 -2.395 -24.123 -19.878 76 HA2 GLY 8 HA2 GLY 8 -3.342 -23.561 -22.619 77 HA3 GLY 8 HA3 GLY 8 -2.630 -22.357 -21.555 78 H LEU 9 H LEU 9 -1.592 -22.508 -24.003 79 HA LEU 9 HA LEU 9 1.005 -23.813 -23.548 80 HG LEU 9 HG LEU 9 -1.322 -25.385 -24.543 81 HB2 LEU 9 HB2 LEU 9 -0.392 -23.615 -26.210 82 HB3 LEU 9 HB3 LEU 9 1.159 -24.386 -25.888 83 HD11 LEU 9 HD11 LEU 9 -0.401 -26.335 -27.244 84 HD12 LEU 9 HD12 LEU 9 -1.718 -25.182 -27.023 85 HD13 LEU 9 HD13 LEU 9 -1.849 -26.810 -26.356 86 HD21 LEU 9 HD21 LEU 9 0.852 -27.120 -25.561 87 HD22 LEU 9 HD22 LEU 9 -0.085 -27.227 -24.070 88 HD23 LEU 9 HD23 LEU 9 1.234 -26.063 -24.200 89 H VAL 10 H VAL 10 0.464 -21.180 -22.872 90 HA VAL 10 HA VAL 10 1.866 -19.668 -24.979 91 HB VAL 10 HB VAL 10 0.922 -17.629 -23.745 92 HG11 VAL 10 HG11 VAL 10 0.027 -19.065 -25.884 93 HG12 VAL 10 HG12 VAL 10 -1.412 -18.995 -24.866 94 HG13 VAL 10 HG13 VAL 10 -0.615 -17.505 -25.372 95 HG21 VAL 10 HG21 VAL 10 -1.020 -17.917 -22.398 96 HG22 VAL 10 HG22 VAL 10 -1.074 -19.647 -22.737 97 HG23 VAL 10 HG23 VAL 10 0.225 -18.983 -21.745 98 HA PRO 11 HA PRO 11 5.254 -18.955 -22.282 99 HB2 PRO 11 HB2 PRO 11 5.995 -16.442 -22.995 100 HB3 PRO 11 HB3 PRO 11 6.264 -17.853 -24.026 101 HG2 PRO 11 HG2 PRO 11 4.091 -15.798 -24.157 102 HG3 PRO 11 HG3 PRO 11 5.030 -16.519 -25.477 103 HD2 PRO 11 HD2 PRO 11 2.520 -17.327 -24.864 104 HD3 PRO 11 HD3 PRO 11 3.748 -18.434 -25.511 105 H ARG 12 H ARG 12 2.800 -16.409 -22.394 106 HA ARG 12 HA ARG 12 3.554 -15.536 -19.703 107 HE ARG 12 HE ARG 12 5.430 -11.610 -20.472 108 HB2 ARG 12 HB2 ARG 12 1.989 -14.330 -21.941 109 HB3 ARG 12 HB3 ARG 12 1.626 -13.821 -20.297 110 HG2 ARG 12 HG2 ARG 12 4.449 -13.811 -21.267 111 HG3 ARG 12 HG3 ARG 12 3.352 -12.501 -21.711 112 HD2 ARG 12 HD2 ARG 12 2.878 -12.135 -19.314 113 HD3 ARG 12 HD3 ARG 12 4.055 -13.386 -18.915 114 HH11 ARG 12 HH11 ARG 12 3.598 -11.411 -17.519 115 HH12 ARG 12 HH12 ARG 12 4.527 -10.097 -16.877 116 HH21 ARG 12 HH21 ARG 12 6.661 -9.880 -19.638 117 HH22 ARG 12 HH22 ARG 12 6.269 -9.227 -18.084 118 H GLY 13 H GLY 13 2.199 -15.676 -17.953 119 HA2 GLY 13 HA2 GLY 13 0.039 -17.617 -18.198 120 HA3 GLY 13 HA3 GLY 13 0.734 -17.014 -16.701 121 H SER 14 H SER 14 0.316 -14.583 -16.349 122 HA SER 14 HA SER 14 -2.557 -14.181 -16.691 123 HG SER 14 HG SER 14 -0.087 -12.040 -14.421 124 HB2 SER 14 HB2 SER 14 -2.074 -12.253 -15.033 125 HB3 SER 14 HB3 SER 14 -1.963 -13.909 -14.436 126 H HIS 15 H HIS 15 -3.184 -13.061 -18.407 127 HA HIS 15 HA HIS 15 -2.288 -10.419 -18.896 128 HD1 HIS 15 HD1 HIS 15 -0.368 -12.060 -23.007 129 HD2 HIS 15 HD2 HIS 15 -2.837 -14.115 -20.372 130 HE1 HIS 15 HE1 HIS 15 -1.055 -14.152 -24.222 131 HB2 HIS 15 HB2 HIS 15 -1.156 -10.659 -20.983 132 HB3 HIS 15 HB3 HIS 15 -0.381 -11.769 -19.856 133 H MET 16 H MET 16 -3.142 -9.721 -21.217 134 HA MET 16 HA MET 16 -5.903 -10.696 -21.333 135 HB2 MET 16 HB2 MET 16 -4.588 -8.138 -22.223 136 HB3 MET 16 HB3 MET 16 -6.206 -8.579 -22.752 137 HG2 MET 16 HG2 MET 16 -6.591 -8.887 -20.163 138 HG3 MET 16 HG3 MET 16 -5.241 -7.758 -20.070 139 HE1 MET 16 HE1 MET 16 -8.549 -8.403 -19.987 140 HE2 MET 16 HE2 MET 16 -8.946 -6.786 -19.404 141 HE3 MET 16 HE3 MET 16 -9.492 -7.307 -20.998 142 H SER 17 H SER 17 -6.770 -10.148 -23.762 143 HA SER 17 HA SER 17 -4.962 -11.569 -25.604 144 HG SER 17 HG SER 17 -6.371 -13.925 -24.674 145 HB2 SER 17 HB2 SER 17 -7.965 -11.866 -25.636 146 HB3 SER 17 HB3 SER 17 -6.766 -12.853 -26.471 147 H VAL 18 H VAL 18 -6.249 -11.419 -27.927 148 HA VAL 18 HA VAL 18 -5.895 -8.716 -28.711 149 HB VAL 18 HB VAL 18 -5.476 -10.644 -30.214 150 HG11 VAL 18 HG11 VAL 18 -7.142 -11.982 -31.093 151 HG12 VAL 18 HG12 VAL 18 -7.693 -11.757 -29.432 152 HG13 VAL 18 HG13 VAL 18 -8.413 -10.813 -30.737 153 HG21 VAL 18 HG21 VAL 18 -7.412 -9.310 -31.872 154 HG22 VAL 18 HG22 VAL 18 -6.584 -8.151 -30.831 155 HG23 VAL 18 HG23 VAL 18 -5.652 -9.202 -31.898 156 H ASP 19 H ASP 19 -8.509 -10.327 -27.320 157 HA ASP 19 HA ASP 19 -10.726 -9.182 -28.563 158 HB2 ASP 19 HB2 ASP 19 -10.690 -11.013 -26.793 159 HB3 ASP 19 HB3 ASP 19 -10.540 -9.726 -25.601 160 H ASP 20 H ASP 20 -8.395 -7.809 -26.408 161 HA ASP 20 HA ASP 20 -10.044 -5.410 -26.037 162 HB2 ASP 20 HB2 ASP 20 -7.535 -6.370 -24.656 163 HB3 ASP 20 HB3 ASP 20 -8.225 -4.770 -24.398 164 H ILE 21 H ILE 21 -8.439 -6.321 -28.479 165 HA ILE 21 HA ILE 21 -7.048 -3.758 -28.869 166 HB ILE 21 HB ILE 21 -6.071 -6.451 -29.829 167 HG12 ILE 21 HG12 ILE 21 -4.793 -4.510 -27.893 168 HG13 ILE 21 HG13 ILE 21 -5.694 -5.942 -27.407 169 HG21 ILE 21 HG21 ILE 21 -5.232 -5.215 -31.507 170 HG22 ILE 21 HG22 ILE 21 -5.457 -3.698 -30.639 171 HG23 ILE 21 HG23 ILE 21 -4.050 -4.706 -30.303 172 HD11 ILE 21 HD11 ILE 21 -4.021 -7.349 -27.968 173 HD12 ILE 21 HD12 ILE 21 -3.480 -6.350 -29.317 174 HD13 ILE 21 HD13 ILE 21 -3.048 -5.909 -27.665 175 H ILE 22 H ILE 22 -7.243 -2.827 -30.881 176 HA ILE 22 HA ILE 22 -9.024 -4.208 -32.783 177 HB ILE 22 HB ILE 22 -10.021 -2.097 -33.389 178 HG12 ILE 22 HG12 ILE 22 -8.198 -0.871 -31.307 179 HG13 ILE 22 HG13 ILE 22 -8.057 -0.661 -33.049 180 HG21 ILE 22 HG21 ILE 22 -10.732 -3.436 -31.293 181 HG22 ILE 22 HG22 ILE 22 -10.074 -2.068 -30.398 182 HG23 ILE 22 HG23 ILE 22 -11.393 -1.821 -31.542 183 HD11 ILE 22 HD11 ILE 22 -9.689 0.756 -31.148 184 HD12 ILE 22 HD12 ILE 22 -9.304 1.152 -32.823 185 HD13 ILE 22 HD13 ILE 22 -10.663 0.089 -32.458 186 H ILE 23 H ILE 23 -8.934 -2.617 -34.922 187 HA ILE 23 HA ILE 23 -6.180 -2.923 -35.821 188 HB ILE 23 HB ILE 23 -8.561 -2.104 -37.480 189 HG12 ILE 23 HG12 ILE 23 -9.032 -4.249 -36.393 190 HG13 ILE 23 HG13 ILE 23 -8.756 -4.471 -38.117 191 HG21 ILE 23 HG21 ILE 23 -6.847 -3.519 -39.071 192 HG22 ILE 23 HG22 ILE 23 -6.921 -1.761 -38.964 193 HG23 ILE 23 HG23 ILE 23 -5.740 -2.653 -38.006 194 HD11 ILE 23 HD11 ILE 23 -6.254 -4.795 -36.980 195 HD12 ILE 23 HD12 ILE 23 -7.356 -5.598 -35.861 196 HD13 ILE 23 HD13 ILE 23 -7.327 -6.068 -37.561 197 H LYS 24 H LYS 24 -5.001 -1.272 -36.848 198 HA LYS 24 HA LYS 24 -4.168 0.831 -37.082 199 HB2 LYS 24 HB2 LYS 24 -7.087 1.622 -37.077 200 HB3 LYS 24 HB3 LYS 24 -5.752 2.634 -37.614 201 HG2 LYS 24 HG2 LYS 24 -5.566 1.575 -39.593 202 HG3 LYS 24 HG3 LYS 24 -5.971 -0.003 -38.912 203 HD2 LYS 24 HD2 LYS 24 -7.827 0.420 -40.210 204 HD3 LYS 24 HD3 LYS 24 -8.350 1.050 -38.646 205 HE2 LYS 24 HE2 LYS 24 -7.046 2.783 -40.727 206 HE3 LYS 24 HE3 LYS 24 -8.786 2.506 -40.689 207 HZ1 LYS 24 HZ1 LYS 24 -8.848 4.218 -39.291 208 HZ2 LYS 24 HZ2 LYS 24 -7.175 4.202 -39.037 209 HZ3 LYS 24 HZ3 LYS 24 -8.179 3.189 -38.127 210 H CYS 25 H CYS 25 -4.672 -0.277 -34.407 211 HA CYS 25 HA CYS 25 -5.263 2.100 -32.817 212 HG CYS 25 HG CYS 25 -6.504 1.930 -30.509 213 HB2 CYS 25 HB2 CYS 25 -6.168 -0.266 -32.318 214 HB3 CYS 25 HB3 CYS 25 -4.552 -0.608 -31.713 215 H GLN 26 H GLN 26 -3.810 3.006 -31.355 216 HA GLN 26 HA GLN 26 -1.013 2.614 -32.059 217 HB2 GLN 26 HB2 GLN 26 -0.619 4.671 -30.777 218 HB3 GLN 26 HB3 GLN 26 -1.866 4.898 -31.997 219 HG2 GLN 26 HG2 GLN 26 -3.386 4.213 -29.884 220 HG3 GLN 26 HG3 GLN 26 -2.040 5.004 -29.065 221 HE21 GLN 26 HE21 GLN 26 -1.343 7.058 -30.479 222 HE22 GLN 26 HE22 GLN 26 -2.652 8.145 -30.780 223 H CYS 27 H CYS 27 0.309 1.395 -30.896 224 HA CYS 27 HA CYS 27 -0.310 0.965 -28.049 225 HG CYS 27 HG CYS 27 -1.701 -1.602 -27.624 226 HB2 CYS 27 HB2 CYS 27 -0.510 -0.979 -29.948 227 HB3 CYS 27 HB3 CYS 27 1.155 -1.192 -29.424 228 H TRP 28 H TRP 28 1.380 1.019 -26.627 229 HA TRP 28 HA TRP 28 3.848 2.169 -27.636 230 HD1 TRP 28 HD1 TRP 28 1.031 3.955 -25.718 231 HE1 TRP 28 HE1 TRP 28 1.533 6.464 -25.997 232 HE3 TRP 28 HE3 TRP 28 6.140 3.763 -25.735 233 HZ2 TRP 28 HZ2 TRP 28 3.796 8.140 -26.199 234 HZ3 TRP 28 HZ3 TRP 28 7.398 5.863 -25.977 235 HH2 TRP 28 HH2 TRP 28 6.248 8.005 -26.204 236 HB2 TRP 28 HB2 TRP 28 2.563 1.901 -24.954 237 HB3 TRP 28 HB3 TRP 28 4.309 2.119 -25.026 238 H VAL 29 H VAL 29 5.732 1.128 -27.837 239 HA VAL 29 HA VAL 29 5.832 -1.689 -27.030 240 HB VAL 29 HB VAL 29 7.638 -0.170 -28.917 241 HG11 VAL 29 HG11 VAL 29 8.884 -1.960 -27.993 242 HG12 VAL 29 HG12 VAL 29 7.518 -3.070 -28.122 243 HG13 VAL 29 HG13 VAL 29 8.336 -2.503 -29.579 244 HG21 VAL 29 HG21 VAL 29 5.416 -2.132 -29.483 245 HG22 VAL 29 HG22 VAL 29 5.382 -0.397 -29.802 246 HG23 VAL 29 HG23 VAL 29 6.502 -1.435 -30.685 247 H GLN 30 H GLN 30 6.732 -2.053 -25.114 248 HA GLN 30 HA GLN 30 8.527 -0.213 -23.867 249 HB2 GLN 30 HB2 GLN 30 8.622 -1.836 -22.052 250 HB3 GLN 30 HB3 GLN 30 6.959 -1.585 -22.565 251 HG2 GLN 30 HG2 GLN 30 8.429 -3.816 -23.830 252 HG3 GLN 30 HG3 GLN 30 7.995 -3.996 -22.131 253 HE21 GLN 30 HE21 GLN 30 7.021 -5.488 -24.400 254 HE22 GLN 30 HE22 GLN 30 5.309 -5.256 -24.448 255 H LYS 31 H LYS 31 10.713 -0.493 -23.373 256 HA LYS 31 HA LYS 31 12.111 -2.618 -24.851 257 HB2 LYS 31 HB2 LYS 31 12.112 -0.070 -25.737 258 HB3 LYS 31 HB3 LYS 31 13.476 0.002 -24.628 259 HG2 LYS 31 HG2 LYS 31 13.522 -2.331 -26.379 260 HG3 LYS 31 HG3 LYS 31 13.584 -0.792 -27.240 261 HD2 LYS 31 HD2 LYS 31 15.351 -0.325 -25.242 262 HD3 LYS 31 HD3 LYS 31 15.571 -2.061 -25.475 263 HE2 LYS 31 HE2 LYS 31 15.564 -0.160 -27.796 264 HE3 LYS 31 HE3 LYS 31 17.025 -0.446 -26.851 265 HZ1 LYS 31 HZ1 LYS 31 15.820 -2.084 -28.846 266 HZ2 LYS 31 HZ2 LYS 31 16.045 -2.943 -27.405 267 HZ3 LYS 31 HZ3 LYS 31 17.361 -2.191 -28.157 268 H ASN 32 H ASN 32 14.396 -2.894 -24.092 269 HA ASN 32 HA ASN 32 14.521 -3.512 -21.412 270 HB2 ASN 32 HB2 ASN 32 16.707 -2.911 -23.400 271 HB3 ASN 32 HB3 ASN 32 17.057 -3.432 -21.755 272 HD21 ASN 32 HD21 ASN 32 17.160 -4.581 -24.650 273 HD22 ASN 32 HD22 ASN 32 16.575 -6.191 -24.431 274 H ASP 33 H ASP 33 16.238 -0.766 -22.913 275 HA ASP 33 HA ASP 33 15.852 0.724 -20.402 276 HB2 ASP 33 HB2 ASP 33 18.336 0.669 -22.129 277 HB3 ASP 33 HB3 ASP 33 18.088 1.742 -20.754 278 H GLU 34 H GLU 34 14.500 0.662 -23.115 279 HA GLU 34 HA GLU 34 14.530 3.562 -23.511 280 HB2 GLU 34 HB2 GLU 34 14.576 1.623 -25.825 281 HB3 GLU 34 HB3 GLU 34 14.623 3.378 -25.908 282 HG2 GLU 34 HG2 GLU 34 16.813 3.366 -24.817 283 HG3 GLU 34 HG3 GLU 34 16.768 1.605 -24.762 284 H GLU 35 H GLU 35 12.688 4.071 -25.230 285 HA GLU 35 HA GLU 35 10.370 2.345 -24.758 286 HB2 GLU 35 HB2 GLU 35 10.721 5.143 -23.819 287 HB3 GLU 35 HB3 GLU 35 9.149 4.712 -24.479 288 HG2 GLU 35 HG2 GLU 35 8.759 4.184 -22.321 289 HG3 GLU 35 HG3 GLU 35 9.456 2.650 -22.837 290 H ARG 36 H ARG 36 9.500 1.895 -26.659 291 HA ARG 36 HA ARG 36 9.644 3.923 -28.792 292 HE ARG 36 HE ARG 36 12.526 2.521 -30.249 293 HB2 ARG 36 HB2 ARG 36 10.890 1.633 -29.002 294 HB3 ARG 36 HB3 ARG 36 9.286 1.002 -29.356 295 HG2 ARG 36 HG2 ARG 36 9.129 2.138 -31.349 296 HG3 ARG 36 HG3 ARG 36 10.288 3.375 -30.857 297 HD2 ARG 36 HD2 ARG 36 10.987 0.496 -31.419 298 HD3 ARG 36 HD3 ARG 36 11.160 1.811 -32.580 299 HH11 ARG 36 HH11 ARG 36 12.719 0.177 -32.816 300 HH12 ARG 36 HH12 ARG 36 14.442 0.022 -32.720 301 HH21 ARG 36 HH21 ARG 36 14.794 2.325 -30.113 302 HH22 ARG 36 HH22 ARG 36 15.621 1.243 -31.182 303 H LEU 37 H LEU 37 7.879 3.618 -30.476 304 HA LEU 37 HA LEU 37 5.365 2.666 -29.316 305 HG LEU 37 HG LEU 37 3.879 4.763 -31.425 306 HB2 LEU 37 HB2 LEU 37 5.231 4.927 -28.735 307 HB3 LEU 37 HB3 LEU 37 5.960 5.451 -30.251 308 HD11 LEU 37 HD11 LEU 37 2.501 3.384 -30.358 309 HD12 LEU 37 HD12 LEU 37 2.005 4.765 -29.380 310 HD13 LEU 37 HD13 LEU 37 3.281 3.692 -28.806 311 HD21 LEU 37 HD21 LEU 37 2.731 6.731 -30.934 312 HD22 LEU 37 HD22 LEU 37 4.394 7.092 -30.469 313 HD23 LEU 37 HD23 LEU 37 3.199 6.694 -29.234 314 H ALA 38 H ALA 38 4.059 1.690 -30.753 315 HA ALA 38 HA ALA 38 4.481 2.154 -33.615 316 HB1 ALA 38 HB1 ALA 38 5.814 0.260 -33.380 317 HB2 ALA 38 HB2 ALA 38 4.727 -0.478 -32.204 318 HB3 ALA 38 HB3 ALA 38 4.261 -0.391 -33.902 319 H GLU 39 H GLU 39 2.751 0.805 -34.876 320 HA GLU 39 HA GLU 39 0.191 1.031 -33.433 321 HB2 GLU 39 HB2 GLU 39 0.835 2.743 -35.337 322 HB3 GLU 39 HB3 GLU 39 0.330 1.430 -36.391 323 HG2 GLU 39 HG2 GLU 39 -1.856 1.395 -35.299 324 HG3 GLU 39 HG3 GLU 39 -1.350 2.719 -34.252 325 H ILE 40 H ILE 40 -1.554 -0.318 -34.309 326 HA ILE 40 HA ILE 40 -0.495 -2.914 -35.167 327 HB ILE 40 HB ILE 40 -3.202 -2.241 -34.006 328 HG12 ILE 40 HG12 ILE 40 -1.372 -1.948 -32.389 329 HG13 ILE 40 HG13 ILE 40 -2.376 -3.332 -31.972 330 HG21 ILE 40 HG21 ILE 40 -1.919 -4.892 -34.648 331 HG22 ILE 40 HG22 ILE 40 -3.422 -4.688 -33.750 332 HG23 ILE 40 HG23 ILE 40 -3.327 -4.181 -35.436 333 HD11 ILE 40 HD11 ILE 40 0.411 -3.240 -32.317 334 HD12 ILE 40 HD12 ILE 40 -0.600 -4.642 -31.969 335 HD13 ILE 40 HD13 ILE 40 -0.240 -4.207 -33.640 336 H LEU 41 H LEU 41 -0.791 -3.602 -37.176 337 HA LEU 41 HA LEU 41 -2.703 -2.183 -38.885 338 HG LEU 41 HG LEU 41 0.354 -1.748 -38.893 339 HB2 LEU 41 HB2 LEU 41 -0.393 -3.997 -39.558 340 HB3 LEU 41 HB3 LEU 41 -1.473 -3.275 -40.748 341 HD11 LEU 41 HD11 LEU 41 1.624 -1.255 -40.937 342 HD12 LEU 41 HD12 LEU 41 0.584 -2.358 -41.837 343 HD13 LEU 41 HD13 LEU 41 1.622 -2.976 -40.552 344 HD21 LEU 41 HD21 LEU 41 -0.250 0.070 -40.644 345 HD22 LEU 41 HD22 LEU 41 -1.377 -0.281 -39.334 346 HD23 LEU 41 HD23 LEU 41 -1.666 -0.938 -40.945 347 H SER 42 H SER 42 -1.486 -5.533 -38.758 348 HA SER 42 HA SER 42 -4.273 -6.451 -39.035 349 HG SER 42 HG SER 42 -4.385 -8.443 -40.988 350 HB2 SER 42 HB2 SER 42 -3.062 -6.776 -41.143 351 HB3 SER 42 HB3 SER 42 -1.803 -7.672 -40.293 352 H ILE 43 H ILE 43 -4.498 -8.815 -38.390 353 HA ILE 43 HA ILE 43 -2.675 -9.563 -36.222 354 HB ILE 43 HB ILE 43 -5.678 -9.472 -35.904 355 HG12 ILE 43 HG12 ILE 43 -3.514 -7.816 -34.586 356 HG13 ILE 43 HG13 ILE 43 -4.642 -7.241 -35.809 357 HG21 ILE 43 HG21 ILE 43 -5.243 -10.160 -33.600 358 HG22 ILE 43 HG22 ILE 43 -4.657 -11.361 -34.749 359 HG23 ILE 43 HG23 ILE 43 -3.520 -10.272 -33.956 360 HD11 ILE 43 HD11 ILE 43 -4.986 -7.537 -32.947 361 HD12 ILE 43 HD12 ILE 43 -5.903 -6.578 -34.108 362 HD13 ILE 43 HD13 ILE 43 -6.291 -8.282 -33.871 363 H ASN 44 H ASN 44 -2.248 -11.688 -36.151 364 HA ASN 44 HA ASN 44 -3.857 -13.453 -37.873 365 HB2 ASN 44 HB2 ASN 44 -1.500 -13.154 -38.581 366 HB3 ASN 44 HB3 ASN 44 -0.971 -13.783 -37.023 367 HD21 ASN 44 HD21 ASN 44 -3.527 -14.809 -39.251 368 HD22 ASN 44 HD22 ASN 44 -2.943 -16.423 -39.449 369 H THR 45 H THR 45 -4.902 -15.110 -36.975 370 HA THR 45 HA THR 45 -4.264 -15.794 -34.179 371 HB THR 45 HB THR 45 -6.663 -16.623 -34.083 372 HG1 THR 45 HG1 THR 45 -7.157 -14.896 -36.257 373 HG21 THR 45 HG21 THR 45 -7.536 -14.480 -33.530 374 HG22 THR 45 HG22 THR 45 -6.413 -13.667 -34.619 375 HG23 THR 45 HG23 THR 45 -5.815 -14.436 -33.148 376 H ARG 46 H ARG 46 -2.874 -17.001 -36.289 377 HA ARG 46 HA ARG 46 -4.093 -19.644 -36.602 378 HE ARG 46 HE ARG 46 -4.067 -20.722 -41.232 379 HB2 ARG 46 HB2 ARG 46 -2.530 -18.032 -38.289 380 HB3 ARG 46 HB3 ARG 46 -1.493 -19.375 -37.829 381 HG2 ARG 46 HG2 ARG 46 -3.412 -20.894 -38.499 382 HG3 ARG 46 HG3 ARG 46 -4.138 -19.467 -39.241 383 HD2 ARG 46 HD2 ARG 46 -1.974 -19.176 -40.507 384 HD3 ARG 46 HD3 ARG 46 -1.512 -20.773 -39.919 385 HH11 ARG 46 HH11 ARG 46 -0.626 -21.003 -41.677 386 HH12 ARG 46 HH12 ARG 46 -0.758 -21.857 -43.179 387 HH21 ARG 46 HH21 ARG 46 -4.254 -21.846 -43.208 388 HH22 ARG 46 HH22 ARG 46 -2.822 -22.335 -44.049 389 H LYS 47 H LYS 47 -1.522 -17.995 -34.957 390 HA LYS 47 HA LYS 47 -0.461 -20.558 -33.977 391 HB2 LYS 47 HB2 LYS 47 0.740 -17.793 -34.089 392 HB3 LYS 47 HB3 LYS 47 1.458 -19.101 -33.158 393 HG2 LYS 47 HG2 LYS 47 0.943 -19.186 -36.124 394 HG3 LYS 47 HG3 LYS 47 2.493 -18.799 -35.374 395 HD2 LYS 47 HD2 LYS 47 2.389 -21.031 -34.232 396 HD3 LYS 47 HD3 LYS 47 0.977 -21.401 -35.224 397 HE2 LYS 47 HE2 LYS 47 2.961 -22.342 -36.237 398 HE3 LYS 47 HE3 LYS 47 2.337 -21.038 -37.247 399 HZ1 LYS 47 HZ1 LYS 47 4.837 -21.129 -36.797 400 HZ2 LYS 47 HZ2 LYS 47 4.460 -20.531 -35.260 401 HZ3 LYS 47 HZ3 LYS 47 4.061 -19.634 -36.637 402 H ALA 48 H ALA 48 0.434 -20.341 -31.649 403 HA ALA 48 HA ALA 48 -1.349 -18.733 -29.966 404 HB1 ALA 48 HB1 ALA 48 -1.487 -20.841 -28.462 405 HB2 ALA 48 HB2 ALA 48 -2.545 -20.711 -29.868 406 HB3 ALA 48 HB3 ALA 48 -1.095 -21.713 -29.945 407 HA PRO 49 HA PRO 49 -1.323 -17.416 -28.586 408 HB2 PRO 49 HB2 PRO 49 -0.040 -15.044 -28.274 409 HB3 PRO 49 HB3 PRO 49 -0.422 -16.115 -26.920 410 HG2 PRO 49 HG2 PRO 49 2.159 -15.778 -28.400 411 HG3 PRO 49 HG3 PRO 49 1.881 -15.932 -26.655 412 HD2 PRO 49 HD2 PRO 49 2.713 -18.004 -28.186 413 HD3 PRO 49 HD3 PRO 49 1.676 -18.225 -26.763 414 HA PRO 50 HA PRO 50 -1.343 -15.931 -32.724 415 HB2 PRO 50 HB2 PRO 50 -2.786 -13.639 -32.534 416 HB3 PRO 50 HB3 PRO 50 -3.508 -15.245 -32.378 417 HG2 PRO 50 HG2 PRO 50 -2.694 -13.318 -30.237 418 HG3 PRO 50 HG3 PRO 50 -4.160 -14.309 -30.351 419 HD2 PRO 50 HD2 PRO 50 -2.053 -14.999 -28.797 420 HD3 PRO 50 HD3 PRO 50 -3.091 -16.203 -29.587 421 H LYS 51 H LYS 51 -0.768 -14.100 -34.154 422 HA LYS 51 HA LYS 51 1.444 -12.548 -32.993 423 HB2 LYS 51 HB2 LYS 51 0.922 -13.570 -35.776 424 HB3 LYS 51 HB3 LYS 51 2.106 -12.307 -35.465 425 HG2 LYS 51 HG2 LYS 51 3.215 -13.877 -33.855 426 HG3 LYS 51 HG3 LYS 51 2.128 -15.136 -34.446 427 HD2 LYS 51 HD2 LYS 51 4.071 -13.551 -36.127 428 HD3 LYS 51 HD3 LYS 51 4.302 -15.212 -35.577 429 HE2 LYS 51 HE2 LYS 51 2.221 -15.832 -36.798 430 HE3 LYS 51 HE3 LYS 51 2.163 -14.193 -37.443 431 HZ1 LYS 51 HZ1 LYS 51 4.497 -14.676 -38.287 432 HZ2 LYS 51 HZ2 LYS 51 3.216 -15.441 -39.084 433 HZ3 LYS 51 HZ3 LYS 51 4.160 -16.304 -37.978 434 H PHE 52 H PHE 52 1.853 -10.415 -34.115 435 HA PHE 52 HA PHE 52 -0.554 -9.109 -35.110 436 HD1 PHE 52 HD1 PHE 52 1.060 -9.920 -31.406 437 HD2 PHE 52 HD2 PHE 52 -2.626 -8.368 -32.861 438 HE1 PHE 52 HE1 PHE 52 -0.159 -11.275 -29.753 439 HE2 PHE 52 HE2 PHE 52 -3.851 -9.720 -31.210 440 HZ PHE 52 HZ PHE 52 -2.618 -11.177 -29.654 441 HB2 PHE 52 HB2 PHE 52 0.970 -7.906 -32.800 442 HB3 PHE 52 HB3 PHE 52 -0.557 -7.362 -33.486 443 H TYR 53 H TYR 53 -0.139 -7.522 -36.558 444 HA TYR 53 HA TYR 53 2.631 -7.156 -37.347 445 HD1 TYR 53 HD1 TYR 53 3.457 -5.375 -38.821 446 HD2 TYR 53 HD2 TYR 53 0.921 -7.985 -41.027 447 HE1 TYR 53 HE1 TYR 53 5.123 -5.457 -40.628 448 HE2 TYR 53 HE2 TYR 53 2.581 -8.075 -42.839 449 HH TYR 53 HH TYR 53 4.475 -6.546 -43.680 450 HB2 TYR 53 HB2 TYR 53 0.376 -7.454 -38.812 451 HB3 TYR 53 HB3 TYR 53 0.495 -5.698 -38.786 452 H VAL 54 H VAL 54 3.816 -5.539 -36.602 453 HA VAL 54 HA VAL 54 2.505 -3.209 -35.422 454 HB VAL 54 HB VAL 54 4.805 -2.634 -34.617 455 HG11 VAL 54 HG11 VAL 54 3.411 -3.706 -33.058 456 HG12 VAL 54 HG12 VAL 54 3.538 -5.259 -33.886 457 HG13 VAL 54 HG13 VAL 54 4.925 -4.608 -33.012 458 HG21 VAL 54 HG21 VAL 54 6.645 -3.823 -35.148 459 HG22 VAL 54 HG22 VAL 54 5.780 -5.360 -35.140 460 HG23 VAL 54 HG23 VAL 54 5.692 -4.306 -36.551 461 H HIS 55 H HIS 55 3.108 -1.067 -35.963 462 HA HIS 55 HA HIS 55 4.547 -0.738 -38.500 463 HD1 HIS 55 HD1 HIS 55 4.103 -0.215 -40.877 464 HD2 HIS 55 HD2 HIS 55 1.827 2.905 -39.346 465 HE1 HIS 55 HE1 HIS 55 4.264 1.631 -42.577 466 HB2 HIS 55 HB2 HIS 55 2.075 -0.739 -38.905 467 HB3 HIS 55 HB3 HIS 55 1.949 0.669 -37.855 468 H TYR 56 H TYR 56 5.334 1.446 -38.864 469 HA TYR 56 HA TYR 56 6.014 2.747 -36.328 470 HD1 TYR 56 HD1 TYR 56 6.760 1.474 -40.198 471 HD2 TYR 56 HD2 TYR 56 7.965 5.381 -39.020 472 HE1 TYR 56 HE1 TYR 56 6.788 2.170 -42.557 473 HE2 TYR 56 HE2 TYR 56 7.995 6.088 -41.376 474 HH TYR 56 HH TYR 56 6.664 4.173 -43.887 475 HB2 TYR 56 HB2 TYR 56 7.916 3.665 -37.427 476 HB3 TYR 56 HB3 TYR 56 7.820 1.980 -37.929 477 H VAL 57 H VAL 57 6.554 5.241 -36.840 478 HA VAL 57 HA VAL 57 4.214 6.380 -38.218 479 HB VAL 57 HB VAL 57 4.243 8.187 -36.436 480 HG11 VAL 57 HG11 VAL 57 2.524 6.435 -36.571 481 HG12 VAL 57 HG12 VAL 57 3.517 5.397 -35.547 482 HG13 VAL 57 HG13 VAL 57 2.862 6.904 -34.906 483 HG21 VAL 57 HG21 VAL 57 6.408 7.765 -35.465 484 HG22 VAL 57 HG22 VAL 57 5.167 7.502 -34.239 485 HG23 VAL 57 HG23 VAL 57 5.934 6.123 -35.028 486 H ASN 58 H ASN 58 7.510 6.875 -37.055 487 HA ASN 58 HA ASN 58 7.894 8.836 -39.210 488 HB2 ASN 58 HB2 ASN 58 7.766 10.219 -37.293 489 HB3 ASN 58 HB3 ASN 58 8.710 9.096 -36.320 490 HD21 ASN 58 HD21 ASN 58 9.117 10.721 -39.452 491 HD22 ASN 58 HD22 ASN 58 10.701 11.328 -39.121 492 H TYR 59 H TYR 59 9.932 7.360 -36.685 493 HA TYR 59 HA TYR 59 11.786 6.517 -38.808 494 HD1 TYR 59 HD1 TYR 59 13.438 7.852 -39.351 495 HD2 TYR 59 HD2 TYR 59 14.845 5.954 -35.813 496 HE1 TYR 59 HE1 TYR 59 15.678 7.664 -40.350 497 HE2 TYR 59 HE2 TYR 59 17.089 5.761 -36.801 498 HH TYR 59 HH TYR 59 17.710 6.694 -40.144 499 HB2 TYR 59 HB2 TYR 59 12.403 8.082 -36.740 500 HB3 TYR 59 HB3 TYR 59 12.619 6.525 -35.948 501 H ASN 60 H ASN 60 13.169 4.551 -38.005 502 HA ASN 60 HA ASN 60 13.257 2.320 -37.570 503 HB2 ASN 60 HB2 ASN 60 10.892 2.549 -35.737 504 HB3 ASN 60 HB3 ASN 60 12.325 1.536 -35.581 505 HD21 ASN 60 HD21 ASN 60 10.809 4.287 -34.520 506 HD22 ASN 60 HD22 ASN 60 12.155 5.071 -33.773 507 H LYS 61 H LYS 61 12.212 2.618 -39.881 508 HA LYS 61 HA LYS 61 9.506 1.710 -40.147 509 HB2 LYS 61 HB2 LYS 61 10.078 1.574 -42.579 510 HB3 LYS 61 HB3 LYS 61 10.377 3.149 -41.855 511 HG2 LYS 61 HG2 LYS 61 12.664 2.927 -41.986 512 HG3 LYS 61 HG3 LYS 61 12.597 1.164 -42.022 513 HD2 LYS 61 HD2 LYS 61 13.105 1.616 -44.216 514 HD3 LYS 61 HD3 LYS 61 11.342 1.574 -44.292 515 HE2 LYS 61 HE2 LYS 61 12.783 4.146 -43.768 516 HE3 LYS 61 HE3 LYS 61 12.621 3.533 -45.413 517 HZ1 LYS 61 HZ1 LYS 61 10.831 5.044 -44.898 518 HZ2 LYS 61 HZ2 LYS 61 10.392 4.130 -43.543 519 HZ3 LYS 61 HZ3 LYS 61 10.211 3.483 -45.095 520 H ARG 62 H ARG 62 12.650 0.222 -40.059 521 HA ARG 62 HA ARG 62 11.987 -2.244 -41.256 522 HE ARG 62 HE ARG 62 16.375 -3.144 -39.231 523 HB2 ARG 62 HB2 ARG 62 14.044 -3.058 -40.391 524 HB3 ARG 62 HB3 ARG 62 14.308 -1.363 -40.778 525 HG2 ARG 62 HG2 ARG 62 13.612 -1.089 -38.223 526 HG3 ARG 62 HG3 ARG 62 14.260 -2.729 -38.158 527 HD2 ARG 62 HD2 ARG 62 15.726 -0.374 -39.335 528 HD3 ARG 62 HD3 ARG 62 15.929 -0.934 -37.676 529 HH11 ARG 62 HH11 ARG 62 17.733 0.054 -39.000 530 HH12 ARG 62 HH12 ARG 62 19.310 -0.437 -39.523 531 HH21 ARG 62 HH21 ARG 62 18.448 -3.802 -39.921 532 HH22 ARG 62 HH22 ARG 62 19.716 -2.630 -40.047 533 H LEU 63 H LEU 63 11.304 -0.911 -38.156 534 HA LEU 63 HA LEU 63 10.922 -3.352 -36.745 535 HG LEU 63 HG LEU 63 11.364 -0.722 -34.185 536 HB2 LEU 63 HB2 LEU 63 10.201 -0.495 -36.292 537 HB3 LEU 63 HB3 LEU 63 9.436 -1.737 -35.302 538 HD11 LEU 63 HD11 LEU 63 10.689 -3.171 -33.934 539 HD12 LEU 63 HD12 LEU 63 12.299 -2.710 -33.382 540 HD13 LEU 63 HD13 LEU 63 12.100 -3.534 -34.928 541 HD21 LEU 63 HD21 LEU 63 13.570 -0.879 -35.007 542 HD22 LEU 63 HD22 LEU 63 12.598 -0.286 -36.354 543 HD23 LEU 63 HD23 LEU 63 13.092 -1.979 -36.302 544 H ASP 64 H ASP 64 9.187 -1.890 -39.212 545 HA ASP 64 HA ASP 64 6.539 -2.613 -38.408 546 HB2 ASP 64 HB2 ASP 64 6.820 -0.819 -39.995 547 HB3 ASP 64 HB3 ASP 64 7.699 -1.872 -41.099 548 H GLU 65 H GLU 65 7.123 -4.841 -37.761 549 HA GLU 65 HA GLU 65 6.708 -6.660 -40.017 550 HB2 GLU 65 HB2 GLU 65 8.401 -8.205 -39.244 551 HB3 GLU 65 HB3 GLU 65 9.135 -6.633 -39.528 552 HG2 GLU 65 HG2 GLU 65 9.270 -6.177 -37.208 553 HG3 GLU 65 HG3 GLU 65 8.254 -7.561 -36.811 554 H TRP 66 H TRP 66 6.719 -9.048 -38.730 555 HA TRP 66 HA TRP 66 4.302 -8.858 -37.147 556 HD1 TRP 66 HD1 TRP 66 5.351 -10.328 -40.761 557 HE1 TRP 66 HE1 TRP 66 3.187 -10.269 -42.153 558 HE3 TRP 66 HE3 TRP 66 1.954 -11.055 -37.010 559 HZ2 TRP 66 HZ2 TRP 66 0.407 -10.500 -41.718 560 HZ3 TRP 66 HZ3 TRP 66 -0.438 -11.122 -37.582 561 HH2 TRP 66 HH2 TRP 66 -1.193 -10.850 -39.888 562 HB2 TRP 66 HB2 TRP 66 5.865 -11.172 -38.286 563 HB3 TRP 66 HB3 TRP 66 4.496 -11.409 -37.204 564 H ILE 67 H ILE 67 4.054 -9.507 -35.026 565 HA ILE 67 HA ILE 67 6.352 -10.476 -33.537 566 HB ILE 67 HB ILE 67 6.185 -8.714 -31.821 567 HG12 ILE 67 HG12 ILE 67 4.782 -6.854 -33.639 568 HG13 ILE 67 HG13 ILE 67 3.778 -8.111 -32.925 569 HG21 ILE 67 HG21 ILE 67 6.743 -7.551 -34.544 570 HG22 ILE 67 HG22 ILE 67 7.431 -7.044 -33.002 571 HG23 ILE 67 HG23 ILE 67 7.845 -8.620 -33.676 572 HD11 ILE 67 HD11 ILE 67 3.662 -6.184 -31.539 573 HD12 ILE 67 HD12 ILE 67 4.613 -7.402 -30.690 574 HD13 ILE 67 HD13 ILE 67 5.419 -6.048 -31.483 575 H THR 68 H THR 68 5.582 -10.390 -31.030 576 HA THR 68 HA THR 68 2.864 -11.532 -30.980 577 HB THR 68 HB THR 68 3.636 -13.065 -29.189 578 HG1 THR 68 HG1 THR 68 6.113 -11.823 -29.781 579 HG21 THR 68 HG21 THR 68 4.397 -14.670 -30.648 580 HG22 THR 68 HG22 THR 68 5.477 -13.554 -31.484 581 HG23 THR 68 HG23 THR 68 3.740 -13.497 -31.788 582 H THR 69 H THR 69 1.976 -11.621 -28.687 583 HA THR 69 HA THR 69 1.705 -9.051 -27.668 584 HB THR 69 HB THR 69 0.127 -10.940 -27.242 585 HG1 THR 69 HG1 THR 69 1.123 -9.419 -25.053 586 HG21 THR 69 HG21 THR 69 0.558 -12.492 -25.443 587 HG22 THR 69 HG22 THR 69 2.117 -11.736 -25.115 588 HG23 THR 69 HG23 THR 69 1.861 -12.610 -26.625 589 H ASP 70 H ASP 70 4.076 -11.499 -26.967 590 HA ASP 70 HA ASP 70 5.015 -10.647 -24.490 591 HB2 ASP 70 HB2 ASP 70 5.712 -12.737 -25.655 592 HB3 ASP 70 HB3 ASP 70 6.683 -11.761 -26.754 593 H ARG 71 H ARG 71 5.391 -9.240 -27.634 594 HA ARG 71 HA ARG 71 7.472 -7.417 -26.682 595 HE ARG 71 HE ARG 71 8.611 -9.218 -26.592 596 HB2 ARG 71 HB2 ARG 71 6.275 -7.734 -29.442 597 HB3 ARG 71 HB3 ARG 71 7.629 -6.693 -29.024 598 HG2 ARG 71 HG2 ARG 71 7.665 -9.673 -28.633 599 HG3 ARG 71 HG3 ARG 71 8.222 -8.878 -30.107 600 HD2 ARG 71 HD2 ARG 71 10.190 -9.072 -28.933 601 HD3 ARG 71 HD3 ARG 71 9.660 -7.462 -28.449 602 HH11 ARG 71 HH11 ARG 71 11.765 -8.261 -27.712 603 HH12 ARG 71 HH12 ARG 71 12.540 -8.563 -26.192 604 HH21 ARG 71 HH21 ARG 71 9.620 -9.620 -24.586 605 HH22 ARG 71 HH22 ARG 71 11.319 -9.337 -24.415 606 H ILE 72 H ILE 72 4.110 -7.578 -27.046 607 HA ILE 72 HA ILE 72 3.823 -4.666 -27.218 608 HB ILE 72 HB ILE 72 1.712 -6.823 -27.351 609 HG12 ILE 72 HG12 ILE 72 2.893 -5.074 -29.521 610 HG13 ILE 72 HG13 ILE 72 3.213 -6.792 -29.304 611 HG21 ILE 72 HG21 ILE 72 1.498 -3.846 -27.781 612 HG22 ILE 72 HG22 ILE 72 0.211 -5.017 -28.061 613 HG23 ILE 72 HG23 ILE 72 0.825 -4.757 -26.429 614 HD11 ILE 72 HD11 ILE 72 0.704 -7.118 -29.586 615 HD12 ILE 72 HD12 ILE 72 0.679 -5.457 -30.179 616 HD13 ILE 72 HD13 ILE 72 1.636 -6.680 -31.017 617 H ASN 73 H ASN 73 2.837 -3.456 -25.630 618 HA ASN 73 HA ASN 73 3.019 -4.484 -22.964 619 HB2 ASN 73 HB2 ASN 73 3.469 -2.072 -23.797 620 HB3 ASN 73 HB3 ASN 73 1.723 -1.869 -23.688 621 HD21 ASN 73 HD21 ASN 73 0.922 -1.248 -21.814 622 HD22 ASN 73 HD22 ASN 73 1.738 -1.314 -20.292 623 H LEU 74 H LEU 74 1.432 -6.242 -23.352 624 HA LEU 74 HA LEU 74 -1.349 -5.309 -23.136 625 HG LEU 74 HG LEU 74 -2.938 -7.562 -23.192 626 HB2 LEU 74 HB2 LEU 74 -0.627 -6.912 -24.986 627 HB3 LEU 74 HB3 LEU 74 -0.473 -8.123 -23.715 628 HD11 LEU 74 HD11 LEU 74 -2.445 -5.955 -25.573 629 HD12 LEU 74 HD12 LEU 74 -3.752 -5.866 -24.393 630 HD13 LEU 74 HD13 LEU 74 -3.841 -7.023 -25.721 631 HD21 LEU 74 HD21 LEU 74 -1.994 -9.064 -25.620 632 HD22 LEU 74 HD22 LEU 74 -3.671 -9.092 -25.074 633 HD23 LEU 74 HD23 LEU 74 -2.391 -9.700 -24.023 634 H ASP 75 H ASP 75 -0.871 -4.808 -20.861 635 HA ASP 75 HA ASP 75 -1.285 -7.188 -19.193 636 HB2 ASP 75 HB2 ASP 75 0.797 -5.056 -18.851 637 HB3 ASP 75 HB3 ASP 75 0.141 -5.878 -17.438 638 H LYS 76 H LYS 76 -3.128 -5.201 -20.242 639 HA LYS 76 HA LYS 76 -3.824 -3.216 -18.422 640 HB2 LYS 76 HB2 LYS 76 -5.275 -4.743 -20.525 641 HB3 LYS 76 HB3 LYS 76 -6.240 -3.824 -19.378 642 HG2 LYS 76 HG2 LYS 76 -3.951 -2.511 -20.771 643 HG3 LYS 76 HG3 LYS 76 -5.486 -2.738 -21.613 644 HD2 LYS 76 HD2 LYS 76 -6.473 -1.697 -19.407 645 HD3 LYS 76 HD3 LYS 76 -4.843 -1.038 -19.249 646 HE2 LYS 76 HE2 LYS 76 -6.754 -0.651 -21.547 647 HE3 LYS 76 HE3 LYS 76 -6.221 0.566 -20.389 648 HZ1 LYS 76 HZ1 LYS 76 -4.758 1.042 -22.007 649 HZ2 LYS 76 HZ2 LYS 76 -4.864 -0.486 -22.726 650 HZ3 LYS 76 HZ3 LYS 76 -3.886 -0.258 -21.365 651 H GLU 77 H GLU 77 -5.812 -3.192 -17.039 652 HA GLU 77 HA GLU 77 -5.594 -5.035 -14.957 653 HB2 GLU 77 HB2 GLU 77 -7.541 -4.008 -14.013 654 HB3 GLU 77 HB3 GLU 77 -6.602 -2.749 -14.803 655 HG2 GLU 77 HG2 GLU 77 -8.188 -3.285 -16.824 656 HG3 GLU 77 HG3 GLU 77 -9.236 -3.905 -15.550 657 H VAL 78 H VAL 78 -7.164 -6.590 -14.178 658 HA VAL 78 HA VAL 78 -8.949 -7.727 -16.195 659 HB VAL 78 HB VAL 78 -8.122 -9.996 -15.838 660 HG11 VAL 78 HG11 VAL 78 -7.195 -8.491 -17.640 661 HG12 VAL 78 HG12 VAL 78 -5.792 -8.249 -16.597 662 HG13 VAL 78 HG13 VAL 78 -6.184 -9.864 -17.191 663 HG21 VAL 78 HG21 VAL 78 -7.249 -9.649 -13.556 664 HG22 VAL 78 HG22 VAL 78 -6.081 -10.440 -14.615 665 HG23 VAL 78 HG23 VAL 78 -5.905 -8.728 -14.232 666 H LEU 79 H LEU 79 -10.594 -9.066 -15.343 667 HA LEU 79 HA LEU 79 -11.126 -8.561 -12.508 668 HG LEU 79 HG LEU 79 -12.454 -6.881 -14.423 669 HB2 LEU 79 HB2 LEU 79 -12.863 -9.320 -14.835 670 HB3 LEU 79 HB3 LEU 79 -13.437 -9.442 -13.173 671 HD11 LEU 79 HD11 LEU 79 -14.458 -7.780 -15.575 672 HD12 LEU 79 HD12 LEU 79 -14.751 -6.258 -14.735 673 HD13 LEU 79 HD13 LEU 79 -15.305 -7.776 -14.028 674 HD21 LEU 79 HD21 LEU 79 -12.328 -6.499 -12.173 675 HD22 LEU 79 HD22 LEU 79 -13.596 -7.663 -11.790 676 HD23 LEU 79 HD23 LEU 79 -14.020 -6.085 -12.455 677 H TYR 80 H TYR 80 -9.863 -10.149 -11.543 678 HA TYR 80 HA TYR 80 -10.599 -12.934 -12.151 679 HD1 TYR 80 HD1 TYR 80 -8.541 -11.323 -13.865 680 HD2 TYR 80 HD2 TYR 80 -7.504 -14.981 -11.954 681 HE1 TYR 80 HE1 TYR 80 -7.681 -12.189 -16.000 682 HE2 TYR 80 HE2 TYR 80 -6.640 -15.856 -14.084 683 HH TYR 80 HH TYR 80 -6.999 -15.430 -16.530 684 HB2 TYR 80 HB2 TYR 80 -8.072 -11.652 -11.216 685 HB3 TYR 80 HB3 TYR 80 -8.417 -13.294 -10.684 686 HA PRO 81 HA PRO 81 -12.611 -12.149 -8.102 687 HB2 PRO 81 HB2 PRO 81 -14.673 -13.852 -8.566 688 HB3 PRO 81 HB3 PRO 81 -14.666 -12.177 -9.130 689 HG2 PRO 81 HG2 PRO 81 -14.024 -14.685 -10.634 690 HG3 PRO 81 HG3 PRO 81 -14.980 -13.284 -11.151 691 HD2 PRO 81 HD2 PRO 81 -12.407 -13.652 -11.909 692 HD3 PRO 81 HD3 PRO 81 -13.109 -12.040 -11.667 693 H LYS 82 H LYS 82 -11.543 -13.170 -6.525 694 HA LYS 82 HA LYS 82 -11.413 -16.114 -6.611 695 HB2 LYS 82 HB2 LYS 82 -9.221 -14.730 -6.834 696 HB3 LYS 82 HB3 LYS 82 -9.420 -14.445 -5.109 697 HG2 LYS 82 HG2 LYS 82 -8.002 -16.284 -5.226 698 HG3 LYS 82 HG3 LYS 82 -9.587 -16.988 -4.895 699 HD2 LYS 82 HD2 LYS 82 -9.764 -17.188 -7.472 700 HD3 LYS 82 HD3 LYS 82 -8.011 -16.985 -7.443 701 HE2 LYS 82 HE2 LYS 82 -7.668 -18.981 -6.331 702 HE3 LYS 82 HE3 LYS 82 -9.295 -19.002 -5.654 703 HZ1 LYS 82 HZ1 LYS 82 -8.788 -20.627 -7.516 704 HZ2 LYS 82 HZ2 LYS 82 -8.820 -19.294 -8.557 705 HZ3 LYS 82 HZ3 LYS 82 -10.199 -19.708 -7.671 706 H LEU 83 H LEU 83 -11.885 -17.236 -4.748 707 HA LEU 83 HA LEU 83 -13.138 -15.651 -2.615 708 HG LEU 83 HG LEU 83 -15.997 -17.824 -3.394 709 HB2 LEU 83 HB2 LEU 83 -13.640 -18.340 -3.770 710 HB3 LEU 83 HB3 LEU 83 -13.991 -18.103 -2.059 711 HD11 LEU 83 HD11 LEU 83 -15.294 -15.040 -2.591 712 HD12 LEU 83 HD12 LEU 83 -15.345 -16.309 -1.368 713 HD13 LEU 83 HD13 LEU 83 -16.781 -15.950 -2.325 714 HD21 LEU 83 HD21 LEU 83 -14.460 -15.637 -4.793 715 HD22 LEU 83 HD22 LEU 83 -16.185 -15.953 -4.985 716 HD23 LEU 83 HD23 LEU 83 -15.005 -17.159 -5.500 717 H LYS 84 H LYS 84 -13.104 -16.904 -0.430 718 HA LYS 84 HA LYS 84 -10.435 -16.962 0.466 719 HB2 LYS 84 HB2 LYS 84 -13.072 -17.711 1.674 720 HB3 LYS 84 HB3 LYS 84 -11.584 -18.115 2.520 721 HG2 LYS 84 HG2 LYS 84 -12.097 -16.084 3.447 722 HG3 LYS 84 HG3 LYS 84 -11.014 -15.600 2.140 723 HD2 LYS 84 HD2 LYS 84 -12.869 -14.983 0.751 724 HD3 LYS 84 HD3 LYS 84 -14.021 -15.657 1.906 725 HE2 LYS 84 HE2 LYS 84 -14.144 -13.426 2.430 726 HE3 LYS 84 HE3 LYS 84 -12.890 -13.957 3.550 727 HZ1 LYS 84 HZ1 LYS 84 -11.433 -12.607 2.595 728 HZ2 LYS 84 HZ2 LYS 84 -12.697 -11.941 1.688 729 HZ3 LYS 84 HZ3 LYS 84 -11.772 -13.205 1.049 730 H ALA 85 H ALA 85 -9.205 -18.446 -0.651 731 HA ALA 85 HA ALA 85 -9.944 -21.125 -1.132 732 HB1 ALA 85 HB1 ALA 85 -7.267 -21.274 -1.207 733 HB2 ALA 85 HB2 ALA 85 -8.238 -20.599 -2.516 734 HB3 ALA 85 HB3 ALA 85 -7.471 -19.527 -1.343 735 H THR 86 H THR 86 -9.795 -22.928 0.068 736 HA THR 86 HA THR 86 -8.710 -22.654 2.788 737 HB THR 86 HB THR 86 -10.478 -24.931 1.981 738 HG1 THR 86 HG1 THR 86 -11.388 -22.764 1.367 739 HG21 THR 86 HG21 THR 86 -10.421 -23.370 4.553 740 HG22 THR 86 HG22 THR 86 -9.307 -24.699 4.237 741 HG23 THR 86 HG23 THR 86 -11.046 -24.995 4.269 742 H ASP 87 H ASP 87 -7.464 -24.347 3.688 743 HA ASP 87 HA ASP 87 -6.263 -26.167 1.706 744 HB2 ASP 87 HB2 ASP 87 -4.672 -24.406 2.247 745 HB3 ASP 87 HB3 ASP 87 -4.880 -24.711 3.969 746 H GLU 88 H GLU 88 -5.573 -28.210 2.469 747 HA GLU 88 HA GLU 88 -7.290 -29.402 4.357 748 HB2 GLU 88 HB2 GLU 88 -6.130 -30.549 2.429 749 HB3 GLU 88 HB3 GLU 88 -4.659 -30.523 3.392 750 HG2 GLU 88 HG2 GLU 88 -5.901 -31.793 5.157 751 HG3 GLU 88 HG3 GLU 88 -7.223 -31.966 4.004 752 H ASP 89 H ASP 89 -7.102 -29.804 6.484 753 HA ASP 89 HA ASP 89 -4.524 -29.314 7.796 754 HB2 ASP 89 HB2 ASP 89 -5.986 -27.269 7.945 755 HB3 ASP 89 HB3 ASP 89 -7.136 -28.235 8.865 Start of MODEL 5 1 HA MET -4 HA MET -4 4.380 -18.693 18.008 2 H1 MET -4 H1 MET -4 3.939 -21.023 19.723 3 HB2 MET -4 HB2 MET -4 6.213 -21.049 18.472 4 HB3 MET -4 HB3 MET -4 6.625 -19.524 17.699 5 HG2 MET -4 HG2 MET -4 5.795 -19.813 20.576 6 HG3 MET -4 HG3 MET -4 7.462 -19.730 20.012 7 HE1 MET -4 HE1 MET -4 8.462 -16.663 20.486 8 HE2 MET -4 HE2 MET -4 8.674 -18.107 19.496 9 HE3 MET -4 HE3 MET -4 8.202 -16.584 18.742 10 H GLY -3 H GLY -3 3.377 -18.802 16.101 11 HA2 GLY -3 HA2 GLY -3 3.244 -21.416 14.739 12 HA3 GLY -3 HA3 GLY -3 2.131 -20.083 14.467 13 H SER -2 H SER -2 3.238 -21.268 12.310 14 HA SER -2 HA SER -2 4.896 -19.116 11.246 15 HG SER -2 HG SER -2 7.053 -19.428 11.480 16 HB2 SER -2 HB2 SER -2 5.760 -21.950 11.558 17 HB3 SER -2 HB3 SER -2 6.210 -21.122 10.068 18 H SER -1 H SER -1 5.223 -19.480 8.804 19 HA SER -1 HA SER -1 2.883 -20.799 7.617 20 HG SER -1 HG SER -1 3.550 -16.844 6.992 21 HB2 SER -1 HB2 SER -1 2.598 -18.828 6.102 22 HB3 SER -1 HB3 SER -1 2.255 -18.470 7.794 23 H HIS 0 H HIS 0 3.289 -21.880 5.775 24 HA HIS 0 HA HIS 0 6.039 -22.015 4.868 25 HD1 HIS 0 HD1 HIS 0 3.145 -25.707 5.209 26 HD2 HIS 0 HD2 HIS 0 6.528 -23.720 6.578 27 HE1 HIS 0 HE1 HIS 0 3.816 -26.898 7.320 28 HB2 HIS 0 HB2 HIS 0 3.601 -23.560 3.960 29 HB3 HIS 0 HB3 HIS 0 5.264 -23.903 3.495 30 H HIS 1 H HIS 1 6.704 -21.711 2.702 31 HA HIS 1 HA HIS 1 4.957 -19.892 1.180 32 HD1 HIS 1 HD1 HIS 1 5.743 -17.027 0.905 33 HD2 HIS 1 HD2 HIS 1 8.016 -18.805 3.893 34 HE1 HIS 1 HE1 HIS 1 5.812 -15.355 2.781 35 HB2 HIS 1 HB2 HIS 1 7.962 -20.023 1.416 36 HB3 HIS 1 HB3 HIS 1 7.154 -19.114 0.142 37 H HIS 2 H HIS 2 4.895 -20.079 -1.095 38 HA HIS 2 HA HIS 2 5.981 -22.579 -2.196 39 HD1 HIS 2 HD1 HIS 2 4.794 -24.744 -1.390 40 HD2 HIS 2 HD2 HIS 2 1.645 -22.167 -0.554 41 HE1 HIS 2 HE1 HIS 2 3.605 -25.755 0.581 42 HB2 HIS 2 HB2 HIS 2 3.182 -21.535 -2.671 43 HB3 HIS 2 HB3 HIS 2 3.886 -22.973 -3.406 44 H HIS 3 H HIS 3 5.628 -22.558 -4.695 45 HA HIS 3 HA HIS 3 5.838 -19.898 -5.851 46 HD1 HIS 3 HD1 HIS 3 8.188 -18.152 -5.823 47 HD2 HIS 3 HD2 HIS 3 9.123 -21.454 -3.482 48 HE1 HIS 3 HE1 HIS 3 9.438 -17.239 -3.841 49 HB2 HIS 3 HB2 HIS 3 8.081 -21.920 -5.981 50 HB3 HIS 3 HB3 HIS 3 7.971 -20.508 -7.027 51 H HIS 4 H HIS 4 5.192 -19.810 -7.957 52 HA HIS 4 HA HIS 4 4.228 -22.334 -9.110 53 HD1 HIS 4 HD1 HIS 4 1.984 -23.064 -9.688 54 HD2 HIS 4 HD2 HIS 4 2.027 -19.776 -12.227 55 HE1 HIS 4 HE1 HIS 4 0.577 -23.723 -11.666 56 HB2 HIS 4 HB2 HIS 4 2.608 -20.433 -8.666 57 HB3 HIS 4 HB3 HIS 4 3.432 -19.544 -9.944 58 H HIS 5 H HIS 5 5.761 -23.169 -10.395 59 HA HIS 5 HA HIS 5 6.912 -21.407 -12.456 60 HD1 HIS 5 HD1 HIS 5 9.243 -20.483 -12.928 61 HD2 HIS 5 HD2 HIS 5 9.522 -21.720 -8.971 62 HE1 HIS 5 HE1 HIS 5 10.565 -18.693 -11.755 63 HB2 HIS 5 HB2 HIS 5 8.245 -23.382 -10.661 64 HB3 HIS 5 HB3 HIS 5 8.850 -23.217 -12.306 65 H SER 6 H SER 6 5.053 -22.149 -13.712 66 HA SER 6 HA SER 6 4.819 -24.914 -14.418 67 HG SER 6 HG SER 6 2.406 -24.945 -15.869 68 HB2 SER 6 HB2 SER 6 2.870 -23.418 -14.464 69 HB3 SER 6 HB3 SER 6 3.630 -22.458 -15.734 70 H SER 7 H SER 7 5.699 -26.000 -16.079 71 HA SER 7 HA SER 7 7.617 -24.552 -17.760 72 HG SER 7 HG SER 7 7.022 -27.922 -16.213 73 HB2 SER 7 HB2 SER 7 8.571 -26.789 -18.233 74 HB3 SER 7 HB3 SER 7 8.534 -26.436 -16.505 75 H GLY 8 H GLY 8 5.855 -23.704 -19.085 76 HA2 GLY 8 HA2 GLY 8 4.758 -25.725 -20.938 77 HA3 GLY 8 HA3 GLY 8 3.980 -24.193 -20.572 78 H LEU 9 H LEU 9 3.876 -23.501 -22.694 79 HA LEU 9 HA LEU 9 6.468 -22.753 -23.870 80 HG LEU 9 HG LEU 9 6.167 -25.342 -24.404 81 HB2 LEU 9 HB2 LEU 9 4.071 -23.950 -25.230 82 HB3 LEU 9 HB3 LEU 9 5.310 -23.063 -26.115 83 HD11 LEU 9 HD11 LEU 9 5.258 -25.904 -27.187 84 HD12 LEU 9 HD12 LEU 9 4.085 -25.927 -25.871 85 HD13 LEU 9 HD13 LEU 9 5.479 -27.006 -25.828 86 HD21 LEU 9 HD21 LEU 9 7.865 -25.565 -26.079 87 HD22 LEU 9 HD22 LEU 9 7.751 -23.863 -25.631 88 HD23 LEU 9 HD23 LEU 9 7.036 -24.427 -27.142 89 H VAL 10 H VAL 10 3.027 -22.202 -24.627 90 HA VAL 10 HA VAL 10 3.407 -19.534 -25.449 91 HB VAL 10 HB VAL 10 0.902 -19.346 -25.164 92 HG11 VAL 10 HG11 VAL 10 1.042 -21.753 -26.738 93 HG12 VAL 10 HG12 VAL 10 0.807 -20.083 -27.259 94 HG13 VAL 10 HG13 VAL 10 2.438 -20.722 -27.050 95 HG21 VAL 10 HG21 VAL 10 0.645 -22.252 -24.841 96 HG22 VAL 10 HG22 VAL 10 1.185 -21.392 -23.400 97 HG23 VAL 10 HG23 VAL 10 -0.334 -20.944 -24.177 98 HA PRO 11 HA PRO 11 3.493 -17.211 -21.725 99 HB2 PRO 11 HB2 PRO 11 2.180 -14.957 -22.477 100 HB3 PRO 11 HB3 PRO 11 3.811 -15.350 -23.033 101 HG2 PRO 11 HG2 PRO 11 1.191 -15.724 -24.432 102 HG3 PRO 11 HG3 PRO 11 2.728 -15.122 -25.079 103 HD2 PRO 11 HD2 PRO 11 1.881 -17.664 -25.466 104 HD3 PRO 11 HD3 PRO 11 3.599 -17.242 -25.325 105 H ARG 12 H ARG 12 2.126 -16.131 -20.097 106 HA ARG 12 HA ARG 12 -0.707 -16.872 -20.211 107 HE ARG 12 HE ARG 12 -2.664 -19.326 -16.380 108 HB2 ARG 12 HB2 ARG 12 0.885 -18.531 -18.917 109 HB3 ARG 12 HB3 ARG 12 0.774 -17.313 -17.654 110 HG2 ARG 12 HG2 ARG 12 -1.756 -18.251 -18.880 111 HG3 ARG 12 HG3 ARG 12 -0.900 -19.355 -17.801 112 HD2 ARG 12 HD2 ARG 12 -0.785 -17.232 -16.255 113 HD3 ARG 12 HD3 ARG 12 -2.173 -16.724 -17.217 114 HH11 ARG 12 HH11 ARG 12 -2.208 -16.182 -14.956 115 HH12 ARG 12 HH12 ARG 12 -3.212 -16.514 -13.583 116 HH21 ARG 12 HH21 ARG 12 -3.987 -19.776 -14.578 117 HH22 ARG 12 HH22 ARG 12 -4.223 -18.559 -13.368 118 H GLY 13 H GLY 13 -2.086 -15.521 -19.090 119 HA2 GLY 13 HA2 GLY 13 -0.884 -13.328 -17.548 120 HA3 GLY 13 HA3 GLY 13 -1.908 -12.931 -18.920 121 H SER 14 H SER 14 -4.055 -14.373 -18.810 122 HA SER 14 HA SER 14 -6.067 -14.673 -17.792 123 HG SER 14 HG SER 14 -6.375 -16.198 -14.731 124 HB2 SER 14 HB2 SER 14 -4.426 -16.045 -16.242 125 HB3 SER 14 HB3 SER 14 -4.798 -14.768 -15.084 126 H HIS 15 H HIS 15 -4.905 -12.006 -18.103 127 HA HIS 15 HA HIS 15 -6.557 -10.617 -16.108 128 HD1 HIS 15 HD1 HIS 15 -6.035 -9.751 -13.891 129 HD2 HIS 15 HD2 HIS 15 -2.205 -10.975 -14.936 130 HE1 HIS 15 HE1 HIS 15 -4.991 -10.583 -11.760 131 HB2 HIS 15 HB2 HIS 15 -3.729 -9.989 -16.921 132 HB3 HIS 15 HB3 HIS 15 -4.792 -8.737 -16.286 133 H MET 16 H MET 16 -4.567 -9.646 -18.902 134 HA MET 16 HA MET 16 -6.924 -8.260 -19.981 135 HB2 MET 16 HB2 MET 16 -4.011 -7.854 -20.679 136 HB3 MET 16 HB3 MET 16 -5.363 -6.881 -21.243 137 HG2 MET 16 HG2 MET 16 -5.411 -5.657 -19.382 138 HG3 MET 16 HG3 MET 16 -5.198 -7.062 -18.340 139 HE1 MET 16 HE1 MET 16 -3.409 -7.492 -17.039 140 HE2 MET 16 HE2 MET 16 -2.385 -8.240 -18.266 141 HE3 MET 16 HE3 MET 16 -1.730 -6.982 -17.217 142 H SER 17 H SER 17 -6.726 -8.046 -22.502 143 HA SER 17 HA SER 17 -5.870 -10.580 -23.696 144 HG SER 17 HG SER 17 -8.671 -10.568 -22.160 145 HB2 SER 17 HB2 SER 17 -8.648 -9.414 -24.003 146 HB3 SER 17 HB3 SER 17 -8.023 -10.807 -24.886 147 H VAL 18 H VAL 18 -4.893 -10.307 -25.599 148 HA VAL 18 HA VAL 18 -4.739 -7.636 -26.719 149 HB VAL 18 HB VAL 18 -3.406 -10.056 -27.896 150 HG11 VAL 18 HG11 VAL 18 -3.346 -7.856 -29.065 151 HG12 VAL 18 HG12 VAL 18 -2.486 -7.194 -27.673 152 HG13 VAL 18 HG13 VAL 18 -1.756 -8.482 -28.632 153 HG21 VAL 18 HG21 VAL 18 -2.933 -10.177 -25.526 154 HG22 VAL 18 HG22 VAL 18 -1.494 -9.639 -26.392 155 HG23 VAL 18 HG23 VAL 18 -2.474 -8.475 -25.501 156 H ASP 19 H ASP 19 -6.271 -10.672 -27.411 157 HA ASP 19 HA ASP 19 -6.782 -10.246 -30.167 158 HB2 ASP 19 HB2 ASP 19 -6.946 -12.430 -28.775 159 HB3 ASP 19 HB3 ASP 19 -8.572 -11.875 -28.385 160 H ASP 20 H ASP 20 -7.987 -8.733 -27.422 161 HA ASP 20 HA ASP 20 -10.535 -8.035 -28.688 162 HB2 ASP 20 HB2 ASP 20 -10.243 -8.763 -26.197 163 HB3 ASP 20 HB3 ASP 20 -9.706 -7.102 -25.959 164 H ILE 21 H ILE 21 -7.842 -7.030 -29.513 165 HA ILE 21 HA ILE 21 -8.128 -4.170 -28.925 166 HB ILE 21 HB ILE 21 -5.846 -5.673 -30.213 167 HG12 ILE 21 HG12 ILE 21 -5.995 -4.291 -27.526 168 HG13 ILE 21 HG13 ILE 21 -6.174 -6.026 -27.758 169 HG21 ILE 21 HG21 ILE 21 -6.464 -2.805 -29.991 170 HG22 ILE 21 HG22 ILE 21 -4.821 -3.266 -29.547 171 HG23 ILE 21 HG23 ILE 21 -5.446 -3.663 -31.148 172 HD11 ILE 21 HD11 ILE 21 -3.747 -4.320 -28.008 173 HD12 ILE 21 HD12 ILE 21 -3.968 -5.851 -27.161 174 HD13 ILE 21 HD13 ILE 21 -3.855 -5.824 -28.921 175 H ILE 22 H ILE 22 -8.409 -2.646 -30.518 176 HA ILE 22 HA ILE 22 -9.661 -3.563 -32.938 177 HB ILE 22 HB ILE 22 -10.107 -1.244 -33.415 178 HG12 ILE 22 HG12 ILE 22 -8.263 -0.623 -31.097 179 HG13 ILE 22 HG13 ILE 22 -7.923 -0.316 -32.797 180 HG21 ILE 22 HG21 ILE 22 -11.730 -1.167 -31.891 181 HG22 ILE 22 HG22 ILE 22 -10.988 -2.593 -31.168 182 HG23 ILE 22 HG23 ILE 22 -10.580 -0.986 -30.567 183 HD11 ILE 22 HD11 ILE 22 -9.689 1.135 -30.918 184 HD12 ILE 22 HD12 ILE 22 -8.611 1.750 -32.170 185 HD13 ILE 22 HD13 ILE 22 -10.173 1.061 -32.612 186 H ILE 23 H ILE 23 -9.002 -1.900 -34.905 187 HA ILE 23 HA ILE 23 -6.210 -2.610 -35.467 188 HB ILE 23 HB ILE 23 -8.282 -1.694 -37.457 189 HG12 ILE 23 HG12 ILE 23 -9.062 -3.742 -36.359 190 HG13 ILE 23 HG13 ILE 23 -8.587 -4.068 -38.022 191 HG21 ILE 23 HG21 ILE 23 -6.415 -1.528 -38.692 192 HG22 ILE 23 HG22 ILE 23 -5.474 -2.524 -37.584 193 HG23 ILE 23 HG23 ILE 23 -6.523 -3.286 -38.779 194 HD11 ILE 23 HD11 ILE 23 -7.862 -5.808 -36.445 195 HD12 ILE 23 HD12 ILE 23 -6.515 -5.040 -37.285 196 HD13 ILE 23 HD13 ILE 23 -6.873 -4.609 -35.612 197 H LYS 24 H LYS 24 -4.792 -1.102 -36.438 198 HA LYS 24 HA LYS 24 -3.790 0.922 -36.703 199 HB2 LYS 24 HB2 LYS 24 -6.555 2.123 -36.790 200 HB3 LYS 24 HB3 LYS 24 -5.082 2.760 -37.510 201 HG2 LYS 24 HG2 LYS 24 -5.138 0.498 -38.841 202 HG3 LYS 24 HG3 LYS 24 -6.856 0.563 -38.441 203 HD2 LYS 24 HD2 LYS 24 -5.577 3.015 -39.535 204 HD3 LYS 24 HD3 LYS 24 -5.891 1.676 -40.643 205 HE2 LYS 24 HE2 LYS 24 -7.863 2.824 -40.823 206 HE3 LYS 24 HE3 LYS 24 -8.262 1.727 -39.501 207 HZ1 LYS 24 HZ1 LYS 24 -8.493 3.421 -38.099 208 HZ2 LYS 24 HZ2 LYS 24 -8.481 4.439 -39.450 209 HZ3 LYS 24 HZ3 LYS 24 -7.052 4.157 -38.591 210 H CYS 25 H CYS 25 -4.795 -0.087 -34.030 211 HA CYS 25 HA CYS 25 -5.230 2.338 -32.513 212 HG CYS 25 HG CYS 25 -7.218 1.968 -30.753 213 HB2 CYS 25 HB2 CYS 25 -6.052 -0.193 -32.105 214 HB3 CYS 25 HB3 CYS 25 -4.596 -0.202 -31.118 215 H GLN 26 H GLN 26 -3.860 2.944 -30.699 216 HA GLN 26 HA GLN 26 -1.047 2.729 -31.420 217 HB2 GLN 26 HB2 GLN 26 -0.733 4.517 -29.723 218 HB3 GLN 26 HB3 GLN 26 -1.865 4.957 -30.995 219 HG2 GLN 26 HG2 GLN 26 -3.436 3.811 -29.005 220 HG3 GLN 26 HG3 GLN 26 -2.262 4.808 -28.147 221 HE21 GLN 26 HE21 GLN 26 -5.257 4.912 -29.107 222 HE22 GLN 26 HE22 GLN 26 -5.419 6.561 -29.594 223 H CYS 27 H CYS 27 0.156 1.188 -30.551 224 HA CYS 27 HA CYS 27 -0.456 0.305 -27.807 225 HG CYS 27 HG CYS 27 -1.599 -2.142 -27.536 226 HB2 CYS 27 HB2 CYS 27 0.247 -1.218 -30.265 227 HB3 CYS 27 HB3 CYS 27 0.894 -1.806 -28.738 228 H TRP 28 H TRP 28 1.093 0.565 -26.337 229 HA TRP 28 HA TRP 28 3.574 1.791 -27.057 230 HD1 TRP 28 HD1 TRP 28 0.684 3.107 -24.702 231 HE1 TRP 28 HE1 TRP 28 1.127 5.640 -24.583 232 HE3 TRP 28 HE3 TRP 28 5.778 3.061 -25.133 233 HZ2 TRP 28 HZ2 TRP 28 3.343 7.387 -24.661 234 HZ3 TRP 28 HZ3 TRP 28 6.984 5.205 -25.102 235 HH2 TRP 28 HH2 TRP 28 5.790 7.322 -24.872 236 HB2 TRP 28 HB2 TRP 28 2.238 0.993 -24.514 237 HB3 TRP 28 HB3 TRP 28 3.979 1.255 -24.484 238 H VAL 29 H VAL 29 5.450 0.849 -27.523 239 HA VAL 29 HA VAL 29 5.693 -2.047 -27.136 240 HB VAL 29 HB VAL 29 7.425 -0.225 -28.811 241 HG11 VAL 29 HG11 VAL 29 7.696 -2.949 -27.976 242 HG12 VAL 29 HG12 VAL 29 7.477 -2.886 -29.726 243 HG13 VAL 29 HG13 VAL 29 8.782 -1.975 -28.965 244 HG21 VAL 29 HG21 VAL 29 6.203 -1.298 -30.727 245 HG22 VAL 29 HG22 VAL 29 5.051 -1.926 -29.548 246 HG23 VAL 29 HG23 VAL 29 5.239 -0.184 -29.756 247 H GLN 30 H GLN 30 6.708 -2.668 -25.351 248 HA GLN 30 HA GLN 30 8.663 -0.921 -24.087 249 HB2 GLN 30 HB2 GLN 30 7.126 -3.340 -23.252 250 HB3 GLN 30 HB3 GLN 30 8.629 -2.971 -22.417 251 HG2 GLN 30 HG2 GLN 30 7.558 -0.582 -22.223 252 HG3 GLN 30 HG3 GLN 30 6.058 -1.480 -22.448 253 HE21 GLN 30 HE21 GLN 30 5.156 -2.364 -20.723 254 HE22 GLN 30 HE22 GLN 30 5.920 -2.592 -19.190 255 H LYS 31 H LYS 31 10.618 -1.014 -25.015 256 HA LYS 31 HA LYS 31 11.675 -3.436 -26.144 257 HB2 LYS 31 HB2 LYS 31 13.156 -0.864 -25.586 258 HB3 LYS 31 HB3 LYS 31 13.600 -2.123 -26.731 259 HG2 LYS 31 HG2 LYS 31 11.092 -0.477 -26.950 260 HG3 LYS 31 HG3 LYS 31 12.612 -0.072 -27.750 261 HD2 LYS 31 HD2 LYS 31 11.464 -2.801 -28.115 262 HD3 LYS 31 HD3 LYS 31 10.758 -1.447 -29.002 263 HE2 LYS 31 HE2 LYS 31 12.347 -2.074 -30.507 264 HE3 LYS 31 HE3 LYS 31 13.309 -0.960 -29.536 265 HZ1 LYS 31 HZ1 LYS 31 14.509 -2.636 -28.630 266 HZ2 LYS 31 HZ2 LYS 31 14.121 -3.393 -30.093 267 HZ3 LYS 31 HZ3 LYS 31 13.241 -3.754 -28.695 268 H ASN 32 H ASN 32 13.886 -4.214 -25.519 269 HA ASN 32 HA ASN 32 13.930 -5.239 -22.966 270 HB2 ASN 32 HB2 ASN 32 15.354 -5.894 -24.998 271 HB3 ASN 32 HB3 ASN 32 16.462 -4.626 -24.482 272 HD21 ASN 32 HD21 ASN 32 18.159 -5.816 -23.844 273 HD22 ASN 32 HD22 ASN 32 18.114 -6.986 -22.573 274 H ASP 33 H ASP 33 15.630 -2.357 -24.163 275 HA ASP 33 HA ASP 33 15.758 -1.381 -21.398 276 HB2 ASP 33 HB2 ASP 33 18.028 -1.694 -23.329 277 HB3 ASP 33 HB3 ASP 33 18.059 -0.378 -22.159 278 H GLU 34 H GLU 34 14.156 -0.835 -23.916 279 HA GLU 34 HA GLU 34 14.447 2.076 -23.807 280 HB2 GLU 34 HB2 GLU 34 14.590 0.365 -26.258 281 HB3 GLU 34 HB3 GLU 34 13.871 1.965 -26.367 282 HG2 GLU 34 HG2 GLU 34 15.866 3.036 -25.844 283 HG3 GLU 34 HG3 GLU 34 16.577 1.578 -25.154 284 H GLU 35 H GLU 35 12.521 3.137 -24.964 285 HA GLU 35 HA GLU 35 10.087 1.525 -24.748 286 HB2 GLU 35 HB2 GLU 35 10.678 4.050 -23.221 287 HB3 GLU 35 HB3 GLU 35 9.028 3.547 -23.563 288 HG2 GLU 35 HG2 GLU 35 9.882 1.278 -22.518 289 HG3 GLU 35 HG3 GLU 35 11.037 2.356 -21.738 290 H ARG 36 H ARG 36 8.918 1.777 -26.523 291 HA ARG 36 HA ARG 36 8.823 4.404 -27.819 292 HE ARG 36 HE ARG 36 12.159 4.793 -31.794 293 HB2 ARG 36 HB2 ARG 36 9.585 1.793 -29.100 294 HB3 ARG 36 HB3 ARG 36 8.864 3.089 -30.046 295 HG2 ARG 36 HG2 ARG 36 10.707 4.581 -29.247 296 HG3 ARG 36 HG3 ARG 36 11.462 3.154 -28.534 297 HD2 ARG 36 HD2 ARG 36 11.931 2.212 -30.590 298 HD3 ARG 36 HD3 ARG 36 10.658 3.116 -31.409 299 HH11 ARG 36 HH11 ARG 36 13.384 2.747 -29.257 300 HH12 ARG 36 HH12 ARG 36 14.924 3.537 -29.184 301 HH21 ARG 36 HH21 ARG 36 14.183 5.842 -31.707 302 HH22 ARG 36 HH22 ARG 36 15.377 5.299 -30.577 303 H LEU 37 H LEU 37 7.143 4.153 -29.771 304 HA LEU 37 HA LEU 37 4.846 2.578 -28.841 305 HG LEU 37 HG LEU 37 3.049 4.780 -30.709 306 HB2 LEU 37 HB2 LEU 37 4.316 4.680 -27.974 307 HB3 LEU 37 HB3 LEU 37 4.961 5.523 -29.380 308 HD11 LEU 37 HD11 LEU 37 1.291 3.908 -28.656 309 HD12 LEU 37 HD12 LEU 37 2.742 2.908 -28.607 310 HD13 LEU 37 HD13 LEU 37 1.816 3.045 -30.101 311 HD21 LEU 37 HD21 LEU 37 1.259 5.918 -29.110 312 HD22 LEU 37 HD22 LEU 37 2.534 6.843 -29.903 313 HD23 LEU 37 HD23 LEU 37 2.717 6.355 -28.218 314 H ALA 38 H ALA 38 3.574 1.731 -30.429 315 HA ALA 38 HA ALA 38 4.053 2.554 -33.200 316 HB1 ALA 38 HB1 ALA 38 4.817 -0.005 -32.011 317 HB2 ALA 38 HB2 ALA 38 3.855 -0.155 -33.482 318 HB3 ALA 38 HB3 ALA 38 5.360 0.763 -33.503 319 H GLU 39 H GLU 39 2.432 1.578 -34.706 320 HA GLU 39 HA GLU 39 -0.187 1.541 -33.392 321 HB2 GLU 39 HB2 GLU 39 0.549 3.093 -35.402 322 HB3 GLU 39 HB3 GLU 39 0.125 1.680 -36.358 323 HG2 GLU 39 HG2 GLU 39 -2.118 1.747 -35.660 324 HG3 GLU 39 HG3 GLU 39 -1.759 2.878 -34.356 325 H ILE 40 H ILE 40 -1.859 0.107 -34.368 326 HA ILE 40 HA ILE 40 -0.705 -2.550 -34.812 327 HB ILE 40 HB ILE 40 -3.570 -1.850 -34.171 328 HG12 ILE 40 HG12 ILE 40 -2.022 -1.165 -32.365 329 HG13 ILE 40 HG13 ILE 40 -3.073 -2.489 -31.874 330 HG21 ILE 40 HG21 ILE 40 -3.473 -3.983 -35.193 331 HG22 ILE 40 HG22 ILE 40 -2.047 -4.441 -34.264 332 HG23 ILE 40 HG23 ILE 40 -3.606 -4.270 -33.458 333 HD11 ILE 40 HD11 ILE 40 -0.237 -2.351 -31.844 334 HD12 ILE 40 HD12 ILE 40 -1.292 -3.643 -31.272 335 HD13 ILE 40 HD13 ILE 40 -0.731 -3.637 -32.945 336 H LEU 41 H LEU 41 -1.068 -3.728 -36.622 337 HA LEU 41 HA LEU 41 -2.542 -2.390 -38.789 338 HG LEU 41 HG LEU 41 -0.591 -1.529 -39.866 339 HB2 LEU 41 HB2 LEU 41 -0.230 -4.305 -38.791 340 HB3 LEU 41 HB3 LEU 41 -1.192 -4.011 -40.238 341 HD11 LEU 41 HD11 LEU 41 0.800 -0.974 -38.230 342 HD12 LEU 41 HD12 LEU 41 1.960 -2.206 -38.724 343 HD13 LEU 41 HD13 LEU 41 0.653 -2.620 -37.615 344 HD21 LEU 41 HD21 LEU 41 1.513 -1.819 -41.095 345 HD22 LEU 41 HD22 LEU 41 0.233 -2.855 -41.727 346 HD23 LEU 41 HD23 LEU 41 1.497 -3.539 -40.705 347 H SER 42 H SER 42 -1.611 -5.768 -38.150 348 HA SER 42 HA SER 42 -4.433 -6.540 -38.250 349 HG SER 42 HG SER 42 -5.257 -7.490 -39.951 350 HB2 SER 42 HB2 SER 42 -3.030 -6.748 -40.522 351 HB3 SER 42 HB3 SER 42 -2.548 -8.269 -39.771 352 H ILE 43 H ILE 43 -4.617 -8.984 -37.776 353 HA ILE 43 HA ILE 43 -2.583 -9.777 -35.802 354 HB ILE 43 HB ILE 43 -5.553 -10.164 -35.425 355 HG12 ILE 43 HG12 ILE 43 -3.691 -8.143 -34.157 356 HG13 ILE 43 HG13 ILE 43 -4.999 -7.787 -35.280 357 HG21 ILE 43 HG21 ILE 43 -4.922 -10.804 -33.148 358 HG22 ILE 43 HG22 ILE 43 -4.170 -11.854 -34.348 359 HG23 ILE 43 HG23 ILE 43 -3.221 -10.593 -33.561 360 HD11 ILE 43 HD11 ILE 43 -6.129 -7.354 -33.394 361 HD12 ILE 43 HD12 ILE 43 -6.357 -9.102 -33.366 362 HD13 ILE 43 HD13 ILE 43 -5.077 -8.364 -32.403 363 H ASN 44 H ASN 44 -2.184 -11.973 -35.605 364 HA ASN 44 HA ASN 44 -3.309 -13.627 -37.760 365 HB2 ASN 44 HB2 ASN 44 -0.655 -13.137 -37.036 366 HB3 ASN 44 HB3 ASN 44 -0.986 -14.761 -36.442 367 HD21 ASN 44 HD21 ASN 44 0.704 -13.775 -38.656 368 HD22 ASN 44 HD22 ASN 44 0.167 -14.633 -40.056 369 H THR 45 H THR 45 -3.879 -15.804 -37.332 370 HA THR 45 HA THR 45 -4.160 -16.544 -34.508 371 HB THR 45 HB THR 45 -6.478 -17.405 -35.014 372 HG1 THR 45 HG1 THR 45 -6.695 -17.369 -37.178 373 HG21 THR 45 HG21 THR 45 -7.181 -14.731 -35.341 374 HG22 THR 45 HG22 THR 45 -5.608 -14.683 -34.546 375 HG23 THR 45 HG23 THR 45 -6.939 -15.579 -33.814 376 H ARG 46 H ARG 46 -2.401 -17.435 -36.683 377 HA ARG 46 HA ARG 46 -3.338 -20.006 -37.546 378 HE ARG 46 HE ARG 46 0.549 -21.745 -41.178 379 HB2 ARG 46 HB2 ARG 46 -1.720 -18.626 -38.845 380 HB3 ARG 46 HB3 ARG 46 -0.525 -18.902 -37.585 381 HG2 ARG 46 HG2 ARG 46 -0.797 -21.367 -38.027 382 HG3 ARG 46 HG3 ARG 46 -1.742 -20.919 -39.449 383 HD2 ARG 46 HD2 ARG 46 0.164 -19.655 -40.316 384 HD3 ARG 46 HD3 ARG 46 1.105 -20.091 -38.890 385 HH11 ARG 46 HH11 ARG 46 1.418 -21.703 -37.807 386 HH12 ARG 46 HH12 ARG 46 2.167 -23.265 -37.847 387 HH21 ARG 46 HH21 ARG 46 1.532 -23.802 -41.243 388 HH22 ARG 46 HH22 ARG 46 2.232 -24.457 -39.802 389 H LYS 47 H LYS 47 -0.854 -18.903 -35.245 390 HA LYS 47 HA LYS 47 -1.241 -21.392 -33.744 391 HB2 LYS 47 HB2 LYS 47 1.378 -20.285 -34.739 392 HB3 LYS 47 HB3 LYS 47 1.297 -21.368 -33.355 393 HG2 LYS 47 HG2 LYS 47 0.018 -22.151 -35.937 394 HG3 LYS 47 HG3 LYS 47 1.761 -22.325 -35.718 395 HD2 LYS 47 HD2 LYS 47 -0.255 -23.448 -33.784 396 HD3 LYS 47 HD3 LYS 47 0.362 -24.359 -35.165 397 HE2 LYS 47 HE2 LYS 47 1.992 -23.206 -32.904 398 HE3 LYS 47 HE3 LYS 47 1.609 -24.908 -33.154 399 HZ1 LYS 47 HZ1 LYS 47 2.783 -24.656 -35.360 400 HZ2 LYS 47 HZ2 LYS 47 3.765 -24.612 -33.982 401 HZ3 LYS 47 HZ3 LYS 47 3.369 -23.177 -34.784 402 H ALA 48 H ALA 48 -0.524 -21.269 -31.517 403 HA ALA 48 HA ALA 48 -0.779 -18.542 -30.471 404 HB1 ALA 48 HB1 ALA 48 -1.539 -21.218 -29.497 405 HB2 ALA 48 HB2 ALA 48 -0.968 -20.083 -28.274 406 HB3 ALA 48 HB3 ALA 48 -2.344 -19.662 -29.293 407 HA PRO 49 HA PRO 49 -0.514 -17.561 -28.466 408 HB2 PRO 49 HB2 PRO 49 0.974 -15.306 -28.200 409 HB3 PRO 49 HB3 PRO 49 0.864 -16.539 -26.939 410 HG2 PRO 49 HG2 PRO 49 3.013 -16.099 -28.976 411 HG3 PRO 49 HG3 PRO 49 3.168 -16.483 -27.251 412 HD2 PRO 49 HD2 PRO 49 3.441 -18.353 -29.190 413 HD3 PRO 49 HD3 PRO 49 2.777 -18.730 -27.587 414 HA PRO 50 HA PRO 50 -1.454 -15.519 -32.245 415 HB2 PRO 50 HB2 PRO 50 -2.644 -13.227 -31.409 416 HB3 PRO 50 HB3 PRO 50 -3.414 -14.812 -31.276 417 HG2 PRO 50 HG2 PRO 50 -1.963 -13.230 -29.189 418 HG3 PRO 50 HG3 PRO 50 -3.477 -14.143 -29.050 419 HD2 PRO 50 HD2 PRO 50 -1.104 -15.116 -28.182 420 HD3 PRO 50 HD3 PRO 50 -2.386 -16.161 -28.827 421 H LYS 51 H LYS 51 -0.707 -14.004 -33.705 422 HA LYS 51 HA LYS 51 1.563 -12.388 -32.784 423 HB2 LYS 51 HB2 LYS 51 0.836 -13.025 -35.641 424 HB3 LYS 51 HB3 LYS 51 2.374 -12.433 -35.027 425 HG2 LYS 51 HG2 LYS 51 1.203 -15.135 -34.402 426 HG3 LYS 51 HG3 LYS 51 2.421 -14.819 -35.639 427 HD2 LYS 51 HD2 LYS 51 3.989 -14.067 -33.970 428 HD3 LYS 51 HD3 LYS 51 2.762 -14.194 -32.707 429 HE2 LYS 51 HE2 LYS 51 2.800 -16.516 -32.732 430 HE3 LYS 51 HE3 LYS 51 3.502 -16.585 -34.348 431 HZ1 LYS 51 HZ1 LYS 51 4.822 -16.094 -31.771 432 HZ2 LYS 51 HZ2 LYS 51 5.492 -15.426 -33.174 433 HZ3 LYS 51 HZ3 LYS 51 5.295 -17.101 -33.045 434 H PHE 52 H PHE 52 1.851 -10.236 -33.632 435 HA PHE 52 HA PHE 52 -0.533 -8.941 -34.712 436 HD1 PHE 52 HD1 PHE 52 1.055 -9.807 -30.986 437 HD2 PHE 52 HD2 PHE 52 -2.691 -8.422 -32.458 438 HE1 PHE 52 HE1 PHE 52 -0.110 -11.275 -29.393 439 HE2 PHE 52 HE2 PHE 52 -3.862 -9.888 -30.866 440 HZ PHE 52 HZ PHE 52 -2.571 -11.318 -29.331 441 HB2 PHE 52 HB2 PHE 52 0.870 -7.757 -32.322 442 HB3 PHE 52 HB3 PHE 52 -0.674 -7.285 -33.023 443 H TYR 53 H TYR 53 -0.020 -7.543 -36.265 444 HA TYR 53 HA TYR 53 2.770 -6.966 -36.778 445 HD1 TYR 53 HD1 TYR 53 3.512 -5.835 -39.645 446 HD2 TYR 53 HD2 TYR 53 1.008 -9.202 -38.939 447 HE1 TYR 53 HE1 TYR 53 4.930 -7.193 -41.127 448 HE2 TYR 53 HE2 TYR 53 2.420 -10.569 -40.418 449 HH TYR 53 HH TYR 53 4.643 -9.285 -42.539 450 HB2 TYR 53 HB2 TYR 53 0.291 -6.988 -38.312 451 HB3 TYR 53 HB3 TYR 53 1.282 -5.576 -38.662 452 H VAL 54 H VAL 54 3.775 -5.224 -36.049 453 HA VAL 54 HA VAL 54 2.166 -2.874 -35.296 454 HB VAL 54 HB VAL 54 3.980 -2.256 -33.776 455 HG11 VAL 54 HG11 VAL 54 3.682 -4.045 -32.130 456 HG12 VAL 54 HG12 VAL 54 2.161 -3.637 -32.927 457 HG13 VAL 54 HG13 VAL 54 3.038 -5.096 -33.391 458 HG21 VAL 54 HG21 VAL 54 5.426 -4.212 -35.292 459 HG22 VAL 54 HG22 VAL 54 6.029 -3.040 -34.121 460 HG23 VAL 54 HG23 VAL 54 5.479 -4.625 -33.579 461 H HIS 55 H HIS 55 2.814 -0.825 -35.925 462 HA HIS 55 HA HIS 55 4.977 -0.718 -37.923 463 HD1 HIS 55 HD1 HIS 55 5.377 0.577 -40.183 464 HD2 HIS 55 HD2 HIS 55 2.301 3.096 -38.976 465 HE1 HIS 55 HE1 HIS 55 5.796 2.761 -41.357 466 HB2 HIS 55 HB2 HIS 55 2.943 -0.531 -39.150 467 HB3 HIS 55 HB3 HIS 55 2.261 0.596 -37.980 468 H TYR 56 H TYR 56 6.233 1.156 -37.989 469 HA TYR 56 HA TYR 56 6.156 2.723 -35.514 470 HD1 TYR 56 HD1 TYR 56 7.844 -0.214 -36.505 471 HD2 TYR 56 HD2 TYR 56 9.311 3.071 -34.235 472 HE1 TYR 56 HE1 TYR 56 8.661 -1.773 -34.788 473 HE2 TYR 56 HE2 TYR 56 10.133 1.521 -32.512 474 HH TYR 56 HH TYR 56 9.255 -1.162 -31.881 475 HB2 TYR 56 HB2 TYR 56 8.318 2.113 -37.512 476 HB3 TYR 56 HB3 TYR 56 8.485 3.452 -36.382 477 H VAL 57 H VAL 57 5.890 4.895 -35.484 478 HA VAL 57 HA VAL 57 4.600 6.173 -37.624 479 HB VAL 57 HB VAL 57 5.049 8.294 -36.322 480 HG11 VAL 57 HG11 VAL 57 3.148 7.838 -35.260 481 HG12 VAL 57 HG12 VAL 57 3.308 6.177 -35.834 482 HG13 VAL 57 HG13 VAL 57 3.931 6.627 -34.246 483 HG21 VAL 57 HG21 VAL 57 5.917 6.739 -33.982 484 HG22 VAL 57 HG22 VAL 57 7.129 6.931 -35.249 485 HG23 VAL 57 HG23 VAL 57 6.390 8.353 -34.513 486 H ASN 58 H ASN 58 7.915 5.633 -37.019 487 HA ASN 58 HA ASN 58 9.185 7.826 -38.103 488 HB2 ASN 58 HB2 ASN 58 11.079 6.474 -38.363 489 HB3 ASN 58 HB3 ASN 58 10.177 5.663 -37.086 490 HD21 ASN 58 HD21 ASN 58 8.240 4.373 -38.536 491 HD22 ASN 58 HD22 ASN 58 8.975 3.172 -39.539 492 H TYR 59 H TYR 59 10.027 8.275 -40.202 493 HA TYR 59 HA TYR 59 8.201 8.201 -42.268 494 HD1 TYR 59 HD1 TYR 59 10.660 10.324 -40.500 495 HD2 TYR 59 HD2 TYR 59 9.008 10.468 -44.418 496 HE1 TYR 59 HE1 TYR 59 10.095 12.695 -40.168 497 HE2 TYR 59 HE2 TYR 59 8.440 12.839 -44.098 498 HH TYR 59 HH TYR 59 9.203 14.742 -42.696 499 HB2 TYR 59 HB2 TYR 59 11.179 8.592 -42.218 500 HB3 TYR 59 HB3 TYR 59 10.302 8.591 -43.744 501 H ASN 60 H ASN 60 11.019 6.081 -41.789 502 HA ASN 60 HA ASN 60 10.808 4.520 -44.053 503 HB2 ASN 60 HB2 ASN 60 12.219 4.406 -41.593 504 HB3 ASN 60 HB3 ASN 60 11.493 2.822 -41.850 505 HD21 ASN 60 HD21 ASN 60 11.564 2.636 -44.584 506 HD22 ASN 60 HD22 ASN 60 13.207 2.581 -45.115 507 H LYS 61 H LYS 61 9.144 3.418 -44.823 508 HA LYS 61 HA LYS 61 6.990 2.559 -43.096 509 HB2 LYS 61 HB2 LYS 61 6.757 3.541 -45.460 510 HB3 LYS 61 HB3 LYS 61 7.248 1.953 -46.035 511 HG2 LYS 61 HG2 LYS 61 5.302 1.158 -44.442 512 HG3 LYS 61 HG3 LYS 61 4.726 2.803 -44.720 513 HD2 LYS 61 HD2 LYS 61 5.495 0.923 -46.945 514 HD3 LYS 61 HD3 LYS 61 3.851 1.056 -46.315 515 HE2 LYS 61 HE2 LYS 61 3.779 2.521 -48.088 516 HE3 LYS 61 HE3 LYS 61 4.194 3.604 -46.761 517 HZ1 LYS 61 HZ1 LYS 61 6.343 2.356 -48.330 518 HZ2 LYS 61 HZ2 LYS 61 6.342 3.827 -47.494 519 HZ3 LYS 61 HZ3 LYS 61 5.523 3.691 -48.968 520 H ARG 62 H ARG 62 9.680 1.130 -44.806 521 HA ARG 62 HA ARG 62 8.891 -1.551 -44.788 522 HE ARG 62 HE ARG 62 14.261 -2.418 -44.755 523 HB2 ARG 62 HB2 ARG 62 11.259 -2.085 -45.021 524 HB3 ARG 62 HB3 ARG 62 10.833 -0.717 -46.041 525 HG2 ARG 62 HG2 ARG 62 12.605 0.298 -45.164 526 HG3 ARG 62 HG3 ARG 62 11.638 0.480 -43.699 527 HD2 ARG 62 HD2 ARG 62 13.404 -0.579 -42.764 528 HD3 ARG 62 HD3 ARG 62 12.539 -2.011 -43.319 529 HH11 ARG 62 HH11 ARG 62 14.335 0.946 -43.863 530 HH12 ARG 62 HH12 ARG 62 15.815 1.271 -44.702 531 HH21 ARG 62 HH21 ARG 62 16.210 -2.003 -45.863 532 HH22 ARG 62 HH22 ARG 62 16.881 -0.408 -45.840 533 H LEU 63 H LEU 63 9.915 0.510 -42.227 534 HA LEU 63 HA LEU 63 10.975 -1.296 -40.399 535 HG LEU 63 HG LEU 63 11.516 1.915 -38.758 536 HB2 LEU 63 HB2 LEU 63 9.803 1.366 -40.326 537 HB3 LEU 63 HB3 LEU 63 9.510 0.454 -38.847 538 HD11 LEU 63 HD11 LEU 63 11.166 -0.342 -37.525 539 HD12 LEU 63 HD12 LEU 63 12.754 0.424 -37.506 540 HD13 LEU 63 HD13 LEU 63 12.438 -0.922 -38.600 541 HD21 LEU 63 HD21 LEU 63 12.008 0.971 -41.291 542 HD22 LEU 63 HD22 LEU 63 13.180 0.093 -40.308 543 HD23 LEU 63 HD23 LEU 63 13.150 1.857 -40.279 544 H ASP 64 H ASP 64 7.715 -0.861 -41.464 545 HA ASP 64 HA ASP 64 6.227 -1.855 -39.364 546 HB2 ASP 64 HB2 ASP 64 5.109 -0.998 -41.300 547 HB3 ASP 64 HB3 ASP 64 5.857 -2.206 -42.341 548 H GLU 65 H GLU 65 6.704 -3.603 -38.199 549 HA GLU 65 HA GLU 65 7.222 -6.118 -39.638 550 HB2 GLU 65 HB2 GLU 65 8.800 -6.792 -37.933 551 HB3 GLU 65 HB3 GLU 65 9.298 -5.247 -38.608 552 HG2 GLU 65 HG2 GLU 65 8.116 -4.178 -36.630 553 HG3 GLU 65 HG3 GLU 65 8.058 -5.797 -35.935 554 H TRP 66 H TRP 66 7.150 -7.934 -37.703 555 HA TRP 66 HA TRP 66 4.619 -7.492 -36.265 556 HD1 TRP 66 HD1 TRP 66 6.927 -9.259 -39.220 557 HE1 TRP 66 HE1 TRP 66 8.072 -11.541 -39.545 558 HE3 TRP 66 HE3 TRP 66 3.992 -12.087 -36.135 559 HZ2 TRP 66 HZ2 TRP 66 7.771 -14.190 -38.618 560 HZ3 TRP 66 HZ3 TRP 66 4.486 -14.487 -35.910 561 HH2 TRP 66 HH2 TRP 66 6.337 -15.515 -37.127 562 HB2 TRP 66 HB2 TRP 66 3.928 -9.777 -36.793 563 HB3 TRP 66 HB3 TRP 66 4.204 -8.859 -38.271 564 H ILE 67 H ILE 67 4.392 -8.545 -34.283 565 HA ILE 67 HA ILE 67 6.646 -10.114 -33.291 566 HB ILE 67 HB ILE 67 6.760 -8.788 -31.204 567 HG12 ILE 67 HG12 ILE 67 5.068 -6.796 -32.729 568 HG13 ILE 67 HG13 ILE 67 4.514 -7.764 -31.368 569 HG21 ILE 67 HG21 ILE 67 8.165 -7.073 -32.066 570 HG22 ILE 67 HG22 ILE 67 8.310 -8.457 -33.148 571 HG23 ILE 67 HG23 ILE 67 7.321 -7.074 -33.614 572 HD11 ILE 67 HD11 ILE 67 5.027 -5.530 -30.641 573 HD12 ILE 67 HD12 ILE 67 6.185 -6.661 -29.942 574 HD13 ILE 67 HD13 ILE 67 6.654 -5.651 -31.310 575 H THR 68 H THR 68 6.091 -10.639 -30.820 576 HA THR 68 HA THR 68 3.388 -11.777 -30.892 577 HB THR 68 HB THR 68 4.120 -13.376 -29.251 578 HG1 THR 68 HG1 THR 68 6.161 -13.242 -28.303 579 HG21 THR 68 HG21 THR 68 6.451 -13.175 -31.133 580 HG22 THR 68 HG22 THR 68 4.838 -13.581 -31.717 581 HG23 THR 68 HG23 THR 68 5.633 -14.618 -30.532 582 H THR 69 H THR 69 2.840 -12.249 -28.303 583 HA THR 69 HA THR 69 2.132 -9.631 -27.341 584 HB THR 69 HB THR 69 0.596 -11.608 -27.202 585 HG1 THR 69 HG1 THR 69 0.473 -9.680 -25.806 586 HG21 THR 69 HG21 THR 69 1.780 -12.543 -24.693 587 HG22 THR 69 HG22 THR 69 2.752 -12.906 -26.119 588 HG23 THR 69 HG23 THR 69 1.080 -13.461 -26.026 589 H ASP 70 H ASP 70 4.595 -11.957 -26.691 590 HA ASP 70 HA ASP 70 5.245 -11.288 -24.044 591 HB2 ASP 70 HB2 ASP 70 6.738 -12.526 -26.324 592 HB3 ASP 70 HB3 ASP 70 7.623 -12.054 -24.876 593 H ARG 71 H ARG 71 5.785 -9.630 -27.023 594 HA ARG 71 HA ARG 71 7.640 -7.766 -25.709 595 HE ARG 71 HE ARG 71 9.228 -9.004 -25.395 596 HB2 ARG 71 HB2 ARG 71 7.027 -8.117 -28.649 597 HB3 ARG 71 HB3 ARG 71 8.199 -6.993 -27.975 598 HG2 ARG 71 HG2 ARG 71 8.438 -9.907 -27.381 599 HG3 ARG 71 HG3 ARG 71 8.979 -9.276 -28.938 600 HD2 ARG 71 HD2 ARG 71 10.904 -9.145 -27.670 601 HD3 ARG 71 HD3 ARG 71 10.237 -7.522 -27.495 602 HH11 ARG 71 HH11 ARG 71 12.362 -8.030 -26.559 603 HH12 ARG 71 HH12 ARG 71 13.084 -8.008 -24.984 604 HH21 ARG 71 HH21 ARG 71 10.168 -8.979 -23.317 605 HH22 ARG 71 HH22 ARG 71 11.836 -8.549 -23.141 606 H ILE 72 H ILE 72 4.431 -8.120 -26.743 607 HA ILE 72 HA ILE 72 4.006 -5.227 -26.939 608 HB ILE 72 HB ILE 72 2.121 -7.510 -27.535 609 HG12 ILE 72 HG12 ILE 72 3.416 -5.560 -29.446 610 HG13 ILE 72 HG13 ILE 72 4.065 -7.160 -29.107 611 HG21 ILE 72 HG21 ILE 72 1.702 -4.634 -27.217 612 HG22 ILE 72 HG22 ILE 72 1.080 -5.287 -28.732 613 HG23 ILE 72 HG23 ILE 72 0.540 -5.961 -27.194 614 HD11 ILE 72 HD11 ILE 72 2.621 -8.140 -30.480 615 HD12 ILE 72 HD12 ILE 72 1.257 -7.224 -29.840 616 HD13 ILE 72 HD13 ILE 72 2.284 -6.521 -31.090 617 H ASN 73 H ASN 73 2.765 -4.095 -25.513 618 HA ASN 73 HA ASN 73 1.600 -5.582 -23.256 619 HB2 ASN 73 HB2 ASN 73 3.798 -4.490 -22.676 620 HB3 ASN 73 HB3 ASN 73 3.035 -2.935 -22.990 621 HD21 ASN 73 HD21 ASN 73 3.572 -5.388 -20.736 622 HD22 ASN 73 HD22 ASN 73 2.535 -4.803 -19.484 623 H LEU 74 H LEU 74 -0.349 -4.871 -22.514 624 HA LEU 74 HA LEU 74 -2.021 -3.424 -24.210 625 HG LEU 74 HG LEU 74 -4.199 -5.476 -22.053 626 HB2 LEU 74 HB2 LEU 74 -2.187 -4.276 -21.355 627 HB3 LEU 74 HB3 LEU 74 -3.411 -3.187 -22.004 628 HD11 LEU 74 HD11 LEU 74 -4.881 -5.594 -24.346 629 HD12 LEU 74 HD12 LEU 74 -3.531 -4.578 -24.849 630 HD13 LEU 74 HD13 LEU 74 -4.828 -3.898 -23.867 631 HD21 LEU 74 HD21 LEU 74 -1.809 -6.394 -22.269 632 HD22 LEU 74 HD22 LEU 74 -2.033 -6.172 -24.004 633 HD23 LEU 74 HD23 LEU 74 -3.107 -7.245 -23.107 634 H ASP 75 H ASP 75 -3.374 -1.491 -23.169 635 HA ASP 75 HA ASP 75 -1.414 0.553 -22.351 636 HB2 ASP 75 HB2 ASP 75 -3.847 0.866 -24.122 637 HB3 ASP 75 HB3 ASP 75 -2.843 2.197 -23.555 638 H LYS 76 H LYS 76 -4.624 -0.765 -21.930 639 HA LYS 76 HA LYS 76 -5.820 1.139 -20.328 640 HB2 LYS 76 HB2 LYS 76 -7.179 -0.667 -19.415 641 HB3 LYS 76 HB3 LYS 76 -6.963 -0.877 -21.147 642 HG2 LYS 76 HG2 LYS 76 -5.394 -2.627 -20.826 643 HG3 LYS 76 HG3 LYS 76 -5.286 -2.297 -19.096 644 HD2 LYS 76 HD2 LYS 76 -6.720 -4.076 -19.058 645 HD3 LYS 76 HD3 LYS 76 -7.888 -2.762 -19.211 646 HE2 LYS 76 HE2 LYS 76 -6.776 -3.941 -21.701 647 HE3 LYS 76 HE3 LYS 76 -7.948 -4.891 -20.791 648 HZ1 LYS 76 HZ1 LYS 76 -8.340 -2.515 -22.373 649 HZ2 LYS 76 HZ2 LYS 76 -9.104 -2.461 -20.865 650 HZ3 LYS 76 HZ3 LYS 76 -9.444 -3.721 -21.940 651 H GLU 77 H GLU 77 -6.185 1.093 -17.968 652 HA GLU 77 HA GLU 77 -3.729 1.207 -16.568 653 HB2 GLU 77 HB2 GLU 77 -4.993 1.892 -14.685 654 HB3 GLU 77 HB3 GLU 77 -5.820 2.554 -16.088 655 HG2 GLU 77 HG2 GLU 77 -7.095 0.182 -15.810 656 HG3 GLU 77 HG3 GLU 77 -6.714 0.564 -14.132 657 H VAL 78 H VAL 78 -2.759 -0.188 -15.184 658 HA VAL 78 HA VAL 78 -4.138 -2.682 -14.498 659 HB VAL 78 HB VAL 78 -2.115 -3.999 -15.021 660 HG11 VAL 78 HG11 VAL 78 -3.508 -2.498 -17.213 661 HG12 VAL 78 HG12 VAL 78 -2.314 -3.749 -17.567 662 HG13 VAL 78 HG13 VAL 78 -3.773 -4.151 -16.660 663 HG21 VAL 78 HG21 VAL 78 -0.488 -2.161 -14.874 664 HG22 VAL 78 HG22 VAL 78 -0.346 -3.051 -16.390 665 HG23 VAL 78 HG23 VAL 78 -1.141 -1.477 -16.363 666 H LEU 79 H LEU 79 -3.139 -3.845 -12.723 667 HA LEU 79 HA LEU 79 -1.858 -2.001 -10.844 668 HG LEU 79 HG LEU 79 -4.823 -2.699 -10.615 669 HB2 LEU 79 HB2 LEU 79 -3.319 -4.604 -10.490 670 HB3 LEU 79 HB3 LEU 79 -2.421 -3.834 -9.183 671 HD11 LEU 79 HD11 LEU 79 -5.562 -4.399 -9.160 672 HD12 LEU 79 HD12 LEU 79 -5.794 -2.886 -8.285 673 HD13 LEU 79 HD13 LEU 79 -4.423 -3.925 -7.900 674 HD21 LEU 79 HD21 LEU 79 -2.748 -1.446 -9.033 675 HD22 LEU 79 HD22 LEU 79 -4.340 -1.249 -8.300 676 HD23 LEU 79 HD23 LEU 79 -4.060 -0.715 -9.958 677 H TYR 80 H TYR 80 0.283 -2.073 -11.485 678 HA TYR 80 HA TYR 80 1.609 -4.696 -11.324 679 HD1 TYR 80 HD1 TYR 80 0.188 -3.856 -13.990 680 HD2 TYR 80 HD2 TYR 80 4.329 -4.813 -13.785 681 HE1 TYR 80 HE1 TYR 80 -0.100 -5.470 -15.823 682 HE2 TYR 80 HE2 TYR 80 4.053 -6.428 -15.619 683 HH TYR 80 HH TYR 80 2.657 -7.144 -17.248 684 HB2 TYR 80 HB2 TYR 80 2.082 -2.272 -12.971 685 HB3 TYR 80 HB3 TYR 80 3.509 -3.143 -12.422 686 HA PRO 81 HA PRO 81 2.923 -2.592 -7.462 687 HB2 PRO 81 HB2 PRO 81 3.135 -4.894 -6.039 688 HB3 PRO 81 HB3 PRO 81 1.607 -4.030 -6.246 689 HG2 PRO 81 HG2 PRO 81 2.640 -6.426 -7.712 690 HG3 PRO 81 HG3 PRO 81 1.010 -6.114 -7.087 691 HD2 PRO 81 HD2 PRO 81 1.658 -5.787 -9.696 692 HD3 PRO 81 HD3 PRO 81 0.442 -4.783 -8.882 693 H LYS 82 H LYS 82 4.879 -2.164 -8.777 694 HA LYS 82 HA LYS 82 6.925 -3.937 -9.295 695 HB2 LYS 82 HB2 LYS 82 8.424 -2.015 -9.309 696 HB3 LYS 82 HB3 LYS 82 6.896 -1.605 -10.077 697 HG2 LYS 82 HG2 LYS 82 7.196 -1.013 -7.185 698 HG3 LYS 82 HG3 LYS 82 8.067 0.000 -8.339 699 HD2 LYS 82 HD2 LYS 82 5.685 -0.003 -9.530 700 HD3 LYS 82 HD3 LYS 82 5.150 -0.282 -7.871 701 HE2 LYS 82 HE2 LYS 82 6.885 1.994 -8.826 702 HE3 LYS 82 HE3 LYS 82 5.179 2.099 -8.395 703 HZ1 LYS 82 HZ1 LYS 82 6.337 0.971 -6.207 704 HZ2 LYS 82 HZ2 LYS 82 5.902 2.598 -6.367 705 HZ3 LYS 82 HZ3 LYS 82 7.487 2.109 -6.702 706 H LEU 83 H LEU 83 9.116 -3.946 -8.183 707 HA LEU 83 HA LEU 83 8.743 -4.147 -5.267 708 HG LEU 83 HG LEU 83 10.499 -5.960 -4.167 709 HB2 LEU 83 HB2 LEU 83 9.133 -6.257 -6.838 710 HB3 LEU 83 HB3 LEU 83 10.816 -5.779 -6.625 711 HD11 LEU 83 HD11 LEU 83 8.270 -7.629 -4.004 712 HD12 LEU 83 HD12 LEU 83 7.751 -6.249 -4.971 713 HD13 LEU 83 HD13 LEU 83 8.432 -5.993 -3.364 714 HD21 LEU 83 HD21 LEU 83 10.284 -8.221 -6.067 715 HD22 LEU 83 HD22 LEU 83 10.017 -8.576 -4.360 716 HD23 LEU 83 HD23 LEU 83 11.536 -7.847 -4.881 717 H LYS 84 H LYS 84 10.809 -3.995 -4.028 718 HA LYS 84 HA LYS 84 12.391 -1.780 -5.090 719 HB2 LYS 84 HB2 LYS 84 11.829 -2.854 -2.358 720 HB3 LYS 84 HB3 LYS 84 13.305 -1.933 -2.616 721 HG2 LYS 84 HG2 LYS 84 10.648 -0.854 -3.472 722 HG3 LYS 84 HG3 LYS 84 11.206 -0.699 -1.804 723 HD2 LYS 84 HD2 LYS 84 13.067 0.097 -3.983 724 HD3 LYS 84 HD3 LYS 84 11.704 1.161 -3.625 725 HE2 LYS 84 HE2 LYS 84 13.683 0.167 -1.579 726 HE3 LYS 84 HE3 LYS 84 13.785 1.731 -2.386 727 HZ1 LYS 84 HZ1 LYS 84 12.426 2.545 -0.860 728 HZ2 LYS 84 HZ2 LYS 84 12.283 1.030 -0.120 729 HZ3 LYS 84 HZ3 LYS 84 11.209 1.477 -1.348 730 H ALA 85 H ALA 85 13.633 -3.050 -6.569 731 HA ALA 85 HA ALA 85 15.851 -4.449 -5.244 732 HB1 ALA 85 HB1 ALA 85 13.901 -5.668 -6.903 733 HB2 ALA 85 HB2 ALA 85 15.432 -5.656 -7.780 734 HB3 ALA 85 HB3 ALA 85 15.338 -6.392 -6.180 735 H THR 86 H THR 86 17.849 -4.050 -6.072 736 HA THR 86 HA THR 86 18.028 -1.912 -8.043 737 HB THR 86 HB THR 86 20.390 -3.147 -6.653 738 HG1 THR 86 HG1 THR 86 18.746 -1.074 -5.590 739 HG21 THR 86 HG21 THR 86 19.876 -0.833 -8.312 740 HG22 THR 86 HG22 THR 86 21.414 -1.536 -7.813 741 HG23 THR 86 HG23 THR 86 20.598 -0.370 -6.771 742 H ASP 87 H ASP 87 18.828 -2.126 -10.058 743 HA ASP 87 HA ASP 87 20.044 -4.695 -10.811 744 HB2 ASP 87 HB2 ASP 87 17.556 -4.396 -11.471 745 HB3 ASP 87 HB3 ASP 87 18.166 -3.255 -12.666 746 H GLU 88 H GLU 88 21.929 -3.178 -10.409 747 HA GLU 88 HA GLU 88 22.718 -2.036 -12.977 748 HB2 GLU 88 HB2 GLU 88 22.699 -0.536 -10.363 749 HB3 GLU 88 HB3 GLU 88 23.731 -0.065 -11.706 750 HG2 GLU 88 HG2 GLU 88 21.474 -0.122 -13.043 751 HG3 GLU 88 HG3 GLU 88 20.774 0.088 -11.439 752 H ASP 89 H ASP 89 25.030 -1.738 -13.182 753 HA ASP 89 HA ASP 89 26.525 -3.550 -11.406 754 HB2 ASP 89 HB2 ASP 89 26.403 -4.325 -13.726 755 HB3 ASP 89 HB3 ASP 89 27.077 -2.796 -14.284 Start of MODEL 6 1 HA MET -4 HA MET -4 -19.544 -44.781 -45.951 2 H1 MET -4 H1 MET -4 -19.413 -47.363 -46.534 3 HB2 MET -4 HB2 MET -4 -21.447 -46.575 -46.309 4 HB3 MET -4 HB3 MET -4 -21.594 -46.453 -44.561 5 HG2 MET -4 HG2 MET -4 -21.668 -44.047 -46.350 6 HG3 MET -4 HG3 MET -4 -23.109 -44.981 -45.954 7 HE1 MET -4 HE1 MET -4 -24.105 -42.226 -44.252 8 HE2 MET -4 HE2 MET -4 -24.491 -43.775 -45.002 9 HE3 MET -4 HE3 MET -4 -24.526 -43.612 -43.246 10 H GLY -3 H GLY -3 -18.049 -44.002 -44.485 11 HA2 GLY -3 HA2 GLY -3 -18.776 -44.414 -41.664 12 HA3 GLY -3 HA3 GLY -3 -17.098 -44.595 -42.156 13 H SER -2 H SER -2 -16.518 -42.907 -40.716 14 HA SER -2 HA SER -2 -16.521 -40.326 -41.942 15 HG SER -2 HG SER -2 -19.328 -40.436 -41.561 16 HB2 SER -2 HB2 SER -2 -18.339 -40.874 -39.634 17 HB3 SER -2 HB3 SER -2 -17.515 -39.317 -39.704 18 H SER -1 H SER -1 -15.311 -38.721 -40.605 19 HA SER -1 HA SER -1 -13.628 -39.888 -38.526 20 HG SER -1 HG SER -1 -13.309 -40.262 -41.695 21 HB2 SER -1 HB2 SER -1 -12.301 -38.421 -40.793 22 HB3 SER -1 HB3 SER -1 -11.573 -39.482 -39.587 23 H HIS 0 H HIS 0 -12.491 -38.317 -37.265 24 HA HIS 0 HA HIS 0 -13.110 -35.512 -37.718 25 HD1 HIS 0 HD1 HIS 0 -15.912 -34.237 -36.815 26 HD2 HIS 0 HD2 HIS 0 -15.960 -38.388 -36.642 27 HE1 HIS 0 HE1 HIS 0 -18.144 -34.923 -37.749 28 HB2 HIS 0 HB2 HIS 0 -13.974 -36.975 -35.215 29 HB3 HIS 0 HB3 HIS 0 -14.009 -35.226 -35.421 30 H HIS 1 H HIS 1 -12.245 -34.320 -35.527 31 HA HIS 1 HA HIS 1 -9.500 -35.333 -35.187 32 HD1 HIS 1 HD1 HIS 1 -7.403 -34.232 -36.431 33 HD2 HIS 1 HD2 HIS 1 -10.601 -32.040 -37.922 34 HE1 HIS 1 HE1 HIS 1 -6.889 -33.865 -38.865 35 HB2 HIS 1 HB2 HIS 1 -10.595 -32.525 -35.262 36 HB3 HIS 1 HB3 HIS 1 -8.996 -32.888 -34.619 37 H HIS 2 H HIS 2 -9.031 -36.089 -33.241 38 HA HIS 2 HA HIS 2 -10.273 -34.843 -30.889 39 HD1 HIS 2 HD1 HIS 2 -9.377 -39.112 -29.531 40 HD2 HIS 2 HD2 HIS 2 -9.845 -38.217 -33.561 41 HE1 HIS 2 HE1 HIS 2 -8.341 -41.039 -30.772 42 HB2 HIS 2 HB2 HIS 2 -10.641 -37.022 -29.862 43 HB3 HIS 2 HB3 HIS 2 -11.496 -36.929 -31.399 44 H HIS 3 H HIS 3 -8.977 -34.670 -29.103 45 HA HIS 3 HA HIS 3 -7.022 -34.438 -27.958 46 HD1 HIS 3 HD1 HIS 3 -7.189 -35.188 -25.908 47 HD2 HIS 3 HD2 HIS 3 -8.016 -38.958 -27.446 48 HE1 HIS 3 HE1 HIS 3 -8.543 -36.353 -24.138 49 HB2 HIS 3 HB2 HIS 3 -6.758 -37.212 -29.095 50 HB3 HIS 3 HB3 HIS 3 -5.510 -36.522 -28.061 51 H HIS 4 H HIS 4 -7.020 -33.102 -30.365 52 HA HIS 4 HA HIS 4 -4.704 -33.681 -31.929 53 HD1 HIS 4 HD1 HIS 4 -5.167 -29.630 -30.848 54 HD2 HIS 4 HD2 HIS 4 -8.775 -31.408 -31.890 55 HE1 HIS 4 HE1 HIS 4 -6.951 -28.166 -29.849 56 HB2 HIS 4 HB2 HIS 4 -5.121 -31.416 -32.908 57 HB3 HIS 4 HB3 HIS 4 -6.521 -32.484 -32.957 58 H HIS 5 H HIS 5 -3.001 -31.914 -32.252 59 HA HIS 5 HA HIS 5 -2.311 -30.450 -29.843 60 HD1 HIS 5 HD1 HIS 5 1.495 -31.604 -31.574 61 HD2 HIS 5 HD2 HIS 5 -1.423 -34.561 -31.592 62 HE1 HIS 5 HE1 HIS 5 2.228 -33.262 -33.317 63 HB2 HIS 5 HB2 HIS 5 -0.120 -31.469 -29.591 64 HB3 HIS 5 HB3 HIS 5 -1.366 -32.708 -29.466 65 H SER 6 H SER 6 -0.786 -28.808 -30.182 66 HA SER 6 HA SER 6 -0.013 -28.368 -32.990 67 HG SER 6 HG SER 6 -0.415 -25.545 -33.550 68 HB2 SER 6 HB2 SER 6 -1.808 -26.849 -32.613 69 HB3 SER 6 HB3 SER 6 -1.187 -26.397 -31.026 70 H SER 7 H SER 7 2.112 -28.293 -33.207 71 HA SER 7 HA SER 7 3.955 -28.332 -31.136 72 HG SER 7 HG SER 7 6.479 -27.579 -33.633 73 HB2 SER 7 HB2 SER 7 4.543 -29.044 -33.388 74 HB3 SER 7 HB3 SER 7 4.339 -27.400 -33.991 75 H GLY 8 H GLY 8 5.322 -26.795 -30.214 76 HA2 GLY 8 HA2 GLY 8 6.165 -24.518 -30.117 77 HA3 GLY 8 HA3 GLY 8 4.607 -23.977 -30.724 78 H LEU 9 H LEU 9 6.002 -23.085 -28.349 79 HA LEU 9 HA LEU 9 4.062 -23.934 -26.299 80 HG LEU 9 HG LEU 9 7.215 -24.916 -26.847 81 HB2 LEU 9 HB2 LEU 9 6.786 -22.791 -25.742 82 HB3 LEU 9 HB3 LEU 9 5.688 -23.582 -24.612 83 HD11 LEU 9 HD11 LEU 9 8.625 -25.810 -25.228 84 HD12 LEU 9 HD12 LEU 9 7.522 -25.417 -23.910 85 HD13 LEU 9 HD13 LEU 9 8.423 -24.134 -24.717 86 HD21 LEU 9 HD21 LEU 9 6.206 -26.821 -25.082 87 HD22 LEU 9 HD22 LEU 9 5.672 -26.511 -26.734 88 HD23 LEU 9 HD23 LEU 9 4.862 -25.718 -25.383 89 H VAL 10 H VAL 10 3.699 -22.228 -24.594 90 HA VAL 10 HA VAL 10 3.572 -19.570 -25.864 91 HB VAL 10 HB VAL 10 1.618 -19.202 -24.248 92 HG11 VAL 10 HG11 VAL 10 1.746 -20.532 -26.814 93 HG12 VAL 10 HG12 VAL 10 0.304 -20.995 -25.910 94 HG13 VAL 10 HG13 VAL 10 0.630 -19.294 -26.241 95 HG21 VAL 10 HG21 VAL 10 1.636 -22.219 -24.235 96 HG22 VAL 10 HG22 VAL 10 2.077 -21.199 -22.865 97 HG23 VAL 10 HG23 VAL 10 0.430 -21.168 -23.494 98 HA PRO 11 HA PRO 11 5.843 -17.834 -22.533 99 HB2 PRO 11 HB2 PRO 11 4.682 -15.391 -22.302 100 HB3 PRO 11 HB3 PRO 11 5.734 -15.830 -23.653 101 HG2 PRO 11 HG2 PRO 11 2.744 -15.771 -23.522 102 HG3 PRO 11 HG3 PRO 11 3.818 -15.209 -24.816 103 HD2 PRO 11 HD2 PRO 11 2.524 -17.586 -24.925 104 HD3 PRO 11 HD3 PRO 11 4.122 -17.334 -25.657 105 H ARG 12 H ARG 12 5.671 -18.501 -20.492 106 HA ARG 12 HA ARG 12 3.083 -18.332 -19.132 107 HE ARG 12 HE ARG 12 3.483 -21.465 -16.728 108 HB2 ARG 12 HB2 ARG 12 5.613 -19.848 -18.488 109 HB3 ARG 12 HB3 ARG 12 4.222 -19.785 -17.413 110 HG2 ARG 12 HG2 ARG 12 2.841 -20.792 -19.190 111 HG3 ARG 12 HG3 ARG 12 4.282 -20.920 -20.201 112 HD2 ARG 12 HD2 ARG 12 3.802 -23.036 -19.090 113 HD3 ARG 12 HD3 ARG 12 5.330 -22.359 -18.527 114 HH11 ARG 12 HH11 ARG 12 4.451 -24.591 -17.917 115 HH12 ARG 12 HH12 ARG 12 4.069 -25.415 -16.442 116 HH21 ARG 12 HH21 ARG 12 2.976 -22.539 -14.781 117 HH22 ARG 12 HH22 ARG 12 3.229 -24.247 -14.659 118 H GLY 13 H GLY 13 2.795 -16.404 -18.184 119 HA2 GLY 13 HA2 GLY 13 4.241 -15.643 -15.915 120 HA3 GLY 13 HA3 GLY 13 4.864 -14.717 -17.273 121 H SER 14 H SER 14 3.790 -12.944 -17.925 122 HA SER 14 HA SER 14 1.780 -11.841 -16.297 123 HG SER 14 HG SER 14 4.145 -10.778 -18.980 124 HB2 SER 14 HB2 SER 14 1.551 -10.297 -18.457 125 HB3 SER 14 HB3 SER 14 2.941 -10.180 -17.379 126 H HIS 15 H HIS 15 -0.382 -11.150 -17.004 127 HA HIS 15 HA HIS 15 -1.650 -13.203 -18.695 128 HD1 HIS 15 HD1 HIS 15 -5.445 -12.466 -16.251 129 HD2 HIS 15 HD2 HIS 15 -3.191 -14.935 -18.719 130 HE1 HIS 15 HE1 HIS 15 -7.068 -14.144 -17.187 131 HB2 HIS 15 HB2 HIS 15 -2.203 -13.074 -16.173 132 HB3 HIS 15 HB3 HIS 15 -3.105 -11.619 -16.590 133 H MET 16 H MET 16 -1.294 -11.924 -20.582 134 HA MET 16 HA MET 16 -2.826 -9.424 -20.717 135 HB2 MET 16 HB2 MET 16 -0.911 -10.490 -22.790 136 HB3 MET 16 HB3 MET 16 -1.540 -8.854 -22.648 137 HG2 MET 16 HG2 MET 16 0.368 -10.209 -20.757 138 HG3 MET 16 HG3 MET 16 0.757 -8.941 -21.917 139 HE1 MET 16 HE1 MET 16 1.590 -6.881 -19.482 140 HE2 MET 16 HE2 MET 16 1.445 -7.160 -21.218 141 HE3 MET 16 HE3 MET 16 0.477 -5.906 -20.444 142 H SER 17 H SER 17 -4.111 -9.021 -22.660 143 HA SER 17 HA SER 17 -5.056 -11.430 -24.031 144 HG SER 17 HG SER 17 -6.368 -10.680 -21.060 145 HB2 SER 17 HB2 SER 17 -6.912 -9.436 -22.709 146 HB3 SER 17 HB3 SER 17 -7.396 -10.852 -23.642 147 H VAL 18 H VAL 18 -5.721 -11.106 -26.113 148 HA VAL 18 HA VAL 18 -4.992 -8.585 -27.316 149 HB VAL 18 HB VAL 18 -4.475 -10.796 -28.371 150 HG11 VAL 18 HG11 VAL 18 -7.138 -11.333 -27.888 151 HG12 VAL 18 HG12 VAL 18 -7.080 -11.065 -29.631 152 HG13 VAL 18 HG13 VAL 18 -6.048 -12.290 -28.891 153 HG21 VAL 18 HG21 VAL 18 -4.593 -8.587 -29.591 154 HG22 VAL 18 HG22 VAL 18 -4.780 -10.028 -30.591 155 HG23 VAL 18 HG23 VAL 18 -6.195 -9.075 -30.143 156 H ASP 19 H ASP 19 -7.747 -9.737 -25.875 157 HA ASP 19 HA ASP 19 -9.820 -8.954 -27.573 158 HB2 ASP 19 HB2 ASP 19 -10.303 -10.256 -25.609 159 HB3 ASP 19 HB3 ASP 19 -9.664 -8.997 -24.555 160 H ASP 20 H ASP 20 -7.578 -7.072 -25.770 161 HA ASP 20 HA ASP 20 -9.205 -4.652 -26.066 162 HB2 ASP 20 HB2 ASP 20 -6.870 -5.404 -24.359 163 HB3 ASP 20 HB3 ASP 20 -7.116 -3.705 -24.753 164 H ILE 21 H ILE 21 -7.766 -6.109 -28.259 165 HA ILE 21 HA ILE 21 -6.219 -3.805 -29.240 166 HB ILE 21 HB ILE 21 -5.536 -6.713 -29.691 167 HG12 ILE 21 HG12 ILE 21 -4.071 -4.546 -28.168 168 HG13 ILE 21 HG13 ILE 21 -4.930 -5.904 -27.449 169 HG21 ILE 21 HG21 ILE 21 -4.425 -6.064 -31.497 170 HG22 ILE 21 HG22 ILE 21 -4.967 -4.405 -31.249 171 HG23 ILE 21 HG23 ILE 21 -3.466 -4.962 -30.509 172 HD11 ILE 21 HD11 ILE 21 -3.053 -6.903 -29.340 173 HD12 ILE 21 HD12 ILE 21 -2.241 -5.771 -28.259 174 HD13 ILE 21 HD13 ILE 21 -3.116 -7.151 -27.595 175 H ILE 22 H ILE 22 -6.877 -3.040 -31.141 176 HA ILE 22 HA ILE 22 -8.487 -4.791 -32.878 177 HB ILE 22 HB ILE 22 -9.919 -2.944 -33.474 178 HG12 ILE 22 HG12 ILE 22 -8.277 -1.310 -31.526 179 HG13 ILE 22 HG13 ILE 22 -8.272 -1.134 -33.277 180 HG21 ILE 22 HG21 ILE 22 -9.742 -2.969 -30.472 181 HG22 ILE 22 HG22 ILE 22 -11.174 -2.750 -31.476 182 HG23 ILE 22 HG23 ILE 22 -10.375 -4.321 -31.411 183 HD11 ILE 22 HD11 ILE 22 -10.953 -0.938 -32.340 184 HD12 ILE 22 HD12 ILE 22 -9.928 0.145 -31.399 185 HD13 ILE 22 HD13 ILE 22 -9.967 0.274 -33.158 186 H ILE 23 H ILE 23 -8.825 -3.293 -35.056 187 HA ILE 23 HA ILE 23 -6.168 -3.201 -36.179 188 HB ILE 23 HB ILE 23 -8.742 -2.461 -37.565 189 HG12 ILE 23 HG12 ILE 23 -9.018 -4.677 -36.592 190 HG13 ILE 23 HG13 ILE 23 -8.817 -4.813 -38.335 191 HG21 ILE 23 HG21 ILE 23 -7.439 -2.122 -39.327 192 HG22 ILE 23 HG22 ILE 23 -6.018 -2.508 -38.359 193 HG23 ILE 23 HG23 ILE 23 -6.866 -3.787 -39.228 194 HD11 ILE 23 HD11 ILE 23 -7.556 -6.542 -37.300 195 HD12 ILE 23 HD12 ILE 23 -6.420 -5.354 -37.940 196 HD13 ILE 23 HD13 ILE 23 -6.773 -5.396 -36.212 197 H LYS 24 H LYS 24 -5.106 -1.426 -36.999 198 HA LYS 24 HA LYS 24 -4.455 0.745 -37.184 199 HB2 LYS 24 HB2 LYS 24 -7.381 1.457 -36.963 200 HB3 LYS 24 HB3 LYS 24 -6.102 2.415 -37.697 201 HG2 LYS 24 HG2 LYS 24 -7.016 -0.262 -38.724 202 HG3 LYS 24 HG3 LYS 24 -7.591 1.293 -39.329 203 HD2 LYS 24 HD2 LYS 24 -4.655 0.775 -39.220 204 HD3 LYS 24 HD3 LYS 24 -5.608 0.037 -40.510 205 HE2 LYS 24 HE2 LYS 24 -4.969 2.029 -41.479 206 HE3 LYS 24 HE3 LYS 24 -6.549 2.445 -40.817 207 HZ1 LYS 24 HZ1 LYS 24 -4.409 2.868 -38.955 208 HZ2 LYS 24 HZ2 LYS 24 -5.645 3.919 -39.437 209 HZ3 LYS 24 HZ3 LYS 24 -4.235 3.790 -40.362 210 H CYS 25 H CYS 25 -4.888 -0.562 -34.544 211 HA CYS 25 HA CYS 25 -5.522 1.706 -32.821 212 HG CYS 25 HG CYS 25 -6.546 1.614 -30.674 213 HB2 CYS 25 HB2 CYS 25 -6.221 -0.829 -32.504 214 HB3 CYS 25 HB3 CYS 25 -4.639 -0.935 -31.740 215 H GLN 26 H GLN 26 -4.078 2.378 -31.131 216 HA GLN 26 HA GLN 26 -1.303 2.338 -32.011 217 HB2 GLN 26 HB2 GLN 26 -2.169 4.511 -31.506 218 HB3 GLN 26 HB3 GLN 26 -2.774 3.972 -29.945 219 HG2 GLN 26 HG2 GLN 26 -0.516 3.695 -29.128 220 HG3 GLN 26 HG3 GLN 26 0.132 4.131 -30.708 221 HE21 GLN 26 HE21 GLN 26 -2.088 5.398 -28.246 222 HE22 GLN 26 HE22 GLN 26 -1.553 7.036 -28.362 223 H CYS 27 H CYS 27 0.148 1.011 -31.165 224 HA CYS 27 HA CYS 27 -0.367 -0.111 -28.490 225 HG CYS 27 HG CYS 27 1.769 -2.713 -31.731 226 HB2 CYS 27 HB2 CYS 27 0.976 -2.073 -29.236 227 HB3 CYS 27 HB3 CYS 27 -0.504 -1.850 -30.160 228 H TRP 28 H TRP 28 1.104 0.239 -26.953 229 HA TRP 28 HA TRP 28 3.539 1.678 -27.682 230 HD1 TRP 28 HD1 TRP 28 0.379 3.389 -25.991 231 HE1 TRP 28 HE1 TRP 28 0.795 5.896 -26.401 232 HE3 TRP 28 HE3 TRP 28 5.491 3.389 -25.898 233 HZ2 TRP 28 HZ2 TRP 28 2.999 7.642 -26.653 234 HZ3 TRP 28 HZ3 TRP 28 6.676 5.518 -26.232 235 HH2 TRP 28 HH2 TRP 28 5.455 7.600 -26.602 236 HB2 TRP 28 HB2 TRP 28 1.904 1.408 -25.206 237 HB3 TRP 28 HB3 TRP 28 3.627 1.725 -25.016 238 H VAL 29 H VAL 29 5.473 0.740 -27.715 239 HA VAL 29 HA VAL 29 5.726 -1.980 -26.650 240 HB VAL 29 HB VAL 29 7.585 -0.501 -28.517 241 HG11 VAL 29 HG11 VAL 29 9.015 -2.125 -27.994 242 HG12 VAL 29 HG12 VAL 29 7.791 -3.001 -27.073 243 HG13 VAL 29 HG13 VAL 29 7.923 -3.239 -28.816 244 HG21 VAL 29 HG21 VAL 29 5.166 -2.145 -28.980 245 HG22 VAL 29 HG22 VAL 29 5.832 -0.813 -29.924 246 HG23 VAL 29 HG23 VAL 29 6.540 -2.423 -30.050 247 H GLN 30 H GLN 30 6.510 -2.103 -24.654 248 HA GLN 30 HA GLN 30 8.360 -0.060 -23.688 249 HB2 GLN 30 HB2 GLN 30 6.508 -1.998 -22.432 250 HB3 GLN 30 HB3 GLN 30 7.991 -1.661 -21.548 251 HG2 GLN 30 HG2 GLN 30 7.397 0.474 -21.080 252 HG3 GLN 30 HG3 GLN 30 6.475 0.662 -22.571 253 HE21 GLN 30 HE21 GLN 30 6.260 0.364 -19.291 254 HE22 GLN 30 HE22 GLN 30 4.609 -0.125 -19.159 255 H LYS 31 H LYS 31 10.396 -0.468 -24.314 256 HA LYS 31 HA LYS 31 11.435 -3.139 -24.530 257 HB2 LYS 31 HB2 LYS 31 12.314 -0.431 -25.211 258 HB3 LYS 31 HB3 LYS 31 13.617 -1.455 -24.623 259 HG2 LYS 31 HG2 LYS 31 11.750 -2.351 -26.793 260 HG3 LYS 31 HG3 LYS 31 13.202 -1.406 -27.130 261 HD2 LYS 31 HD2 LYS 31 13.443 -3.844 -25.434 262 HD3 LYS 31 HD3 LYS 31 13.243 -4.042 -27.176 263 HE2 LYS 31 HE2 LYS 31 15.372 -2.371 -25.843 264 HE3 LYS 31 HE3 LYS 31 15.610 -3.995 -26.488 265 HZ1 LYS 31 HZ1 LYS 31 15.316 -1.461 -27.897 266 HZ2 LYS 31 HZ2 LYS 31 14.600 -2.814 -28.619 267 HZ3 LYS 31 HZ3 LYS 31 16.258 -2.813 -28.283 268 H ASN 32 H ASN 32 13.510 -3.740 -23.439 269 HA ASN 32 HA ASN 32 13.220 -3.910 -20.702 270 HB2 ASN 32 HB2 ASN 32 15.775 -4.033 -22.320 271 HB3 ASN 32 HB3 ASN 32 15.617 -4.571 -20.650 272 HD21 ASN 32 HD21 ASN 32 16.386 -6.601 -21.579 273 HD22 ASN 32 HD22 ASN 32 15.231 -7.687 -22.266 274 H ASP 33 H ASP 33 15.272 -1.649 -22.525 275 HA ASP 33 HA ASP 33 15.195 0.158 -20.210 276 HB2 ASP 33 HB2 ASP 33 17.395 -1.157 -20.439 277 HB3 ASP 33 HB3 ASP 33 17.688 -0.170 -21.868 278 H GLU 34 H GLU 34 13.878 -0.056 -22.932 279 HA GLU 34 HA GLU 34 14.383 2.722 -23.708 280 HB2 GLU 34 HB2 GLU 34 14.564 0.315 -25.488 281 HB3 GLU 34 HB3 GLU 34 14.051 1.861 -26.150 282 HG2 GLU 34 HG2 GLU 34 16.658 1.297 -24.756 283 HG3 GLU 34 HG3 GLU 34 16.422 1.528 -26.488 284 H GLU 35 H GLU 35 12.656 3.418 -25.376 285 HA GLU 35 HA GLU 35 10.091 2.093 -24.884 286 HB2 GLU 35 HB2 GLU 35 10.902 4.738 -23.908 287 HB3 GLU 35 HB3 GLU 35 9.381 4.744 -24.790 288 HG2 GLU 35 HG2 GLU 35 9.848 2.728 -22.641 289 HG3 GLU 35 HG3 GLU 35 9.393 4.379 -22.224 290 H ARG 36 H ARG 36 8.918 1.906 -26.680 291 HA ARG 36 HA ARG 36 9.335 3.815 -28.867 292 HE ARG 36 HE ARG 36 11.339 4.807 -29.655 293 HB2 ARG 36 HB2 ARG 36 10.574 1.472 -29.024 294 HB3 ARG 36 HB3 ARG 36 8.989 0.938 -29.567 295 HG2 ARG 36 HG2 ARG 36 10.073 1.452 -31.541 296 HG3 ARG 36 HG3 ARG 36 9.137 2.912 -31.217 297 HD2 ARG 36 HD2 ARG 36 11.942 2.683 -30.212 298 HD3 ARG 36 HD3 ARG 36 11.646 3.092 -31.902 299 HH11 ARG 36 HH11 ARG 36 10.015 4.067 -32.789 300 HH12 ARG 36 HH12 ARG 36 9.399 5.665 -33.051 301 HH21 ARG 36 HH21 ARG 36 10.534 6.915 -29.989 302 HH22 ARG 36 HH22 ARG 36 9.696 7.285 -31.458 303 H LEU 37 H LEU 37 7.592 3.836 -30.442 304 HA LEU 37 HA LEU 37 5.066 2.730 -29.414 305 HG LEU 37 HG LEU 37 3.146 5.884 -29.612 306 HB2 LEU 37 HB2 LEU 37 5.192 5.099 -28.854 307 HB3 LEU 37 HB3 LEU 37 5.507 5.491 -30.543 308 HD11 LEU 37 HD11 LEU 37 2.645 6.062 -31.763 309 HD12 LEU 37 HD12 LEU 37 2.612 4.308 -31.945 310 HD13 LEU 37 HD13 LEU 37 4.128 5.187 -32.146 311 HD21 LEU 37 HD21 LEU 37 2.538 3.083 -30.325 312 HD22 LEU 37 HD22 LEU 37 1.773 4.149 -29.147 313 HD23 LEU 37 HD23 LEU 37 3.295 3.349 -28.754 314 H ALA 38 H ALA 38 3.823 1.731 -30.881 315 HA ALA 38 HA ALA 38 4.255 2.258 -33.729 316 HB1 ALA 38 HB1 ALA 38 3.889 -0.531 -33.496 317 HB2 ALA 38 HB2 ALA 38 5.306 0.338 -34.086 318 HB3 ALA 38 HB3 ALA 38 5.175 -0.078 -32.377 319 H GLU 39 H GLU 39 2.581 0.899 -35.036 320 HA GLU 39 HA GLU 39 0.006 0.996 -33.606 321 HB2 GLU 39 HB2 GLU 39 0.571 2.780 -35.442 322 HB3 GLU 39 HB3 GLU 39 0.193 1.473 -36.556 323 HG2 GLU 39 HG2 GLU 39 -2.030 1.289 -35.683 324 HG3 GLU 39 HG3 GLU 39 -1.669 2.449 -34.405 325 H ILE 40 H ILE 40 -1.665 -0.428 -34.439 326 HA ILE 40 HA ILE 40 -0.512 -2.946 -35.402 327 HB ILE 40 HB ILE 40 -3.200 -2.428 -34.126 328 HG12 ILE 40 HG12 ILE 40 -1.295 -2.124 -32.584 329 HG13 ILE 40 HG13 ILE 40 -2.264 -3.531 -32.159 330 HG21 ILE 40 HG21 ILE 40 -3.750 -4.380 -35.059 331 HG22 ILE 40 HG22 ILE 40 -2.085 -4.720 -35.527 332 HG23 ILE 40 HG23 ILE 40 -2.640 -5.112 -33.901 333 HD11 ILE 40 HD11 ILE 40 0.365 -3.557 -33.623 334 HD12 ILE 40 HD12 ILE 40 0.092 -4.016 -31.942 335 HD13 ILE 40 HD13 ILE 40 -0.611 -4.976 -33.243 336 H LEU 41 H LEU 41 -0.878 -3.642 -37.400 337 HA LEU 41 HA LEU 41 -2.878 -2.245 -39.025 338 HG LEU 41 HG LEU 41 0.166 -1.693 -39.207 339 HB2 LEU 41 HB2 LEU 41 -0.519 -3.962 -39.769 340 HB3 LEU 41 HB3 LEU 41 -1.681 -3.338 -40.937 341 HD11 LEU 41 HD11 LEU 41 0.822 -1.074 -41.720 342 HD12 LEU 41 HD12 LEU 41 0.306 -2.742 -41.968 343 HD13 LEU 41 HD13 LEU 41 1.596 -2.379 -40.821 344 HD21 LEU 41 HD21 LEU 41 -2.225 -1.024 -40.758 345 HD22 LEU 41 HD22 LEU 41 -0.811 -0.045 -41.147 346 HD23 LEU 41 HD23 LEU 41 -1.403 -0.118 -39.487 347 H SER 42 H SER 42 -1.580 -5.567 -38.984 348 HA SER 42 HA SER 42 -4.352 -6.544 -39.209 349 HG SER 42 HG SER 42 -3.400 -7.249 -42.379 350 HB2 SER 42 HB2 SER 42 -1.868 -7.699 -40.498 351 HB3 SER 42 HB3 SER 42 -3.476 -8.420 -40.567 352 H ILE 43 H ILE 43 -4.807 -8.585 -38.241 353 HA ILE 43 HA ILE 43 -2.842 -9.434 -36.218 354 HB ILE 43 HB ILE 43 -5.830 -9.229 -35.828 355 HG12 ILE 43 HG12 ILE 43 -3.558 -7.680 -34.564 356 HG13 ILE 43 HG13 ILE 43 -4.686 -7.052 -35.760 357 HG21 ILE 43 HG21 ILE 43 -4.441 -9.652 -33.399 358 HG22 ILE 43 HG22 ILE 43 -5.608 -10.709 -34.192 359 HG23 ILE 43 HG23 ILE 43 -3.889 -10.869 -34.549 360 HD11 ILE 43 HD11 ILE 43 -5.763 -6.280 -33.958 361 HD12 ILE 43 HD12 ILE 43 -6.402 -7.921 -33.870 362 HD13 ILE 43 HD13 ILE 43 -5.019 -7.458 -32.877 363 H ASN 44 H ASN 44 -2.314 -11.507 -36.364 364 HA ASN 44 HA ASN 44 -4.062 -13.298 -37.900 365 HB2 ASN 44 HB2 ASN 44 -1.115 -13.227 -37.373 366 HB3 ASN 44 HB3 ASN 44 -1.882 -14.765 -37.756 367 HD21 ASN 44 HD21 ASN 44 -2.530 -11.500 -38.951 368 HD22 ASN 44 HD22 ASN 44 -2.239 -11.863 -40.615 369 H THR 45 H THR 45 -5.006 -15.028 -36.993 370 HA THR 45 HA THR 45 -4.318 -15.647 -34.193 371 HB THR 45 HB THR 45 -6.604 -16.192 -33.740 372 HG1 THR 45 HG1 THR 45 -7.440 -17.080 -35.539 373 HG21 THR 45 HG21 THR 45 -7.245 -13.774 -35.252 374 HG22 THR 45 HG22 THR 45 -5.760 -13.641 -34.311 375 HG23 THR 45 HG23 THR 45 -7.275 -14.062 -33.513 376 H ARG 46 H ARG 46 -3.020 -16.879 -36.363 377 HA ARG 46 HA ARG 46 -4.251 -19.529 -36.562 378 HE ARG 46 HE ARG 46 -3.722 -22.269 -40.114 379 HB2 ARG 46 HB2 ARG 46 -3.282 -18.186 -38.565 380 HB3 ARG 46 HB3 ARG 46 -1.719 -18.712 -37.952 381 HG2 ARG 46 HG2 ARG 46 -2.175 -20.344 -39.492 382 HG3 ARG 46 HG3 ARG 46 -2.808 -21.080 -38.018 383 HD2 ARG 46 HD2 ARG 46 -5.058 -20.231 -38.619 384 HD3 ARG 46 HD3 ARG 46 -4.390 -19.629 -40.136 385 HH11 ARG 46 HH11 ARG 46 -6.701 -20.497 -39.793 386 HH12 ARG 46 HH12 ARG 46 -7.673 -21.747 -40.495 387 HH21 ARG 46 HH21 ARG 46 -4.991 -23.923 -41.040 388 HH22 ARG 46 HH22 ARG 46 -6.700 -23.696 -41.203 389 H LYS 47 H LYS 47 -1.457 -17.863 -35.274 390 HA LYS 47 HA LYS 47 -0.328 -20.388 -34.310 391 HB2 LYS 47 HB2 LYS 47 0.774 -17.577 -34.392 392 HB3 LYS 47 HB3 LYS 47 1.601 -18.918 -33.610 393 HG2 LYS 47 HG2 LYS 47 0.803 -18.946 -36.508 394 HG3 LYS 47 HG3 LYS 47 2.369 -18.365 -35.934 395 HD2 LYS 47 HD2 LYS 47 1.417 -21.062 -35.081 396 HD3 LYS 47 HD3 LYS 47 2.062 -20.854 -36.711 397 HE2 LYS 47 HE2 LYS 47 3.548 -19.881 -34.292 398 HE3 LYS 47 HE3 LYS 47 3.685 -21.548 -34.849 399 HZ1 LYS 47 HZ1 LYS 47 4.044 -20.009 -37.092 400 HZ2 LYS 47 HZ2 LYS 47 5.247 -20.823 -36.224 401 HZ3 LYS 47 HZ3 LYS 47 4.911 -19.200 -35.886 402 H ALA 48 H ALA 48 0.669 -20.216 -32.038 403 HA ALA 48 HA ALA 48 -1.030 -18.667 -30.219 404 HB1 ALA 48 HB1 ALA 48 -2.208 -20.656 -30.111 405 HB2 ALA 48 HB2 ALA 48 -0.757 -21.645 -30.284 406 HB3 ALA 48 HB3 ALA 48 -1.080 -20.810 -28.764 407 HA PRO 49 HA PRO 49 -0.922 -17.365 -28.833 408 HB2 PRO 49 HB2 PRO 49 0.379 -14.999 -28.555 409 HB3 PRO 49 HB3 PRO 49 0.069 -16.090 -27.199 410 HG2 PRO 49 HG2 PRO 49 2.567 -15.733 -28.809 411 HG3 PRO 49 HG3 PRO 49 2.383 -15.913 -27.055 412 HD2 PRO 49 HD2 PRO 49 3.129 -17.963 -28.658 413 HD3 PRO 49 HD3 PRO 49 2.168 -18.204 -27.185 414 HA PRO 50 HA PRO 50 -1.160 -15.819 -32.942 415 HB2 PRO 50 HB2 PRO 50 -2.588 -13.529 -32.642 416 HB3 PRO 50 HB3 PRO 50 -3.303 -15.136 -32.470 417 HG2 PRO 50 HG2 PRO 50 -2.372 -13.242 -30.348 418 HG3 PRO 50 HG3 PRO 50 -3.844 -14.229 -30.399 419 HD2 PRO 50 HD2 PRO 50 -1.658 -14.944 -28.969 420 HD3 PRO 50 HD3 PRO 50 -2.739 -16.135 -29.721 421 H LYS 51 H LYS 51 -0.569 -14.062 -34.396 422 HA LYS 51 HA LYS 51 1.621 -12.436 -33.292 423 HB2 LYS 51 HB2 LYS 51 1.186 -13.788 -35.912 424 HB3 LYS 51 HB3 LYS 51 2.110 -12.292 -35.904 425 HG2 LYS 51 HG2 LYS 51 3.870 -13.217 -34.809 426 HG3 LYS 51 HG3 LYS 51 2.860 -14.366 -33.926 427 HD2 LYS 51 HD2 LYS 51 4.269 -15.518 -35.548 428 HD3 LYS 51 HD3 LYS 51 2.564 -15.674 -35.978 429 HE2 LYS 51 HE2 LYS 51 3.885 -15.204 -37.955 430 HE3 LYS 51 HE3 LYS 51 2.824 -13.842 -37.597 431 HZ1 LYS 51 HZ1 LYS 51 4.731 -12.749 -36.517 432 HZ2 LYS 51 HZ2 LYS 51 4.991 -13.034 -38.164 433 HZ3 LYS 51 HZ3 LYS 51 5.728 -14.024 -37.007 434 H PHE 52 H PHE 52 1.894 -10.273 -34.045 435 HA PHE 52 HA PHE 52 -0.482 -9.070 -35.284 436 HD1 PHE 52 HD1 PHE 52 -2.211 -9.566 -33.772 437 HD2 PHE 52 HD2 PHE 52 0.710 -8.563 -30.843 438 HE1 PHE 52 HE1 PHE 52 -3.414 -10.926 -32.112 439 HE2 PHE 52 HE2 PHE 52 -0.488 -9.922 -29.178 440 HZ PHE 52 HZ PHE 52 -2.553 -11.105 -29.811 441 HB2 PHE 52 HB2 PHE 52 0.971 -7.784 -32.974 442 HB3 PHE 52 HB3 PHE 52 -0.563 -7.301 -33.691 443 H TYR 53 H TYR 53 -0.038 -7.673 -36.872 444 HA TYR 53 HA TYR 53 2.731 -7.179 -37.549 445 HD1 TYR 53 HD1 TYR 53 3.859 -7.113 -39.214 446 HD2 TYR 53 HD2 TYR 53 0.571 -5.100 -41.014 447 HE1 TYR 53 HE1 TYR 53 5.377 -6.146 -40.890 448 HE2 TYR 53 HE2 TYR 53 2.080 -4.128 -42.696 449 HH TYR 53 HH TYR 53 4.278 -4.630 -43.707 450 HB2 TYR 53 HB2 TYR 53 0.982 -7.794 -39.246 451 HB3 TYR 53 HB3 TYR 53 0.254 -6.212 -38.987 452 H VAL 54 H VAL 54 3.781 -5.553 -36.628 453 HA VAL 54 HA VAL 54 2.340 -3.197 -35.703 454 HB VAL 54 HB VAL 54 4.550 -2.519 -34.759 455 HG11 VAL 54 HG11 VAL 54 4.531 -4.119 -32.958 456 HG12 VAL 54 HG12 VAL 54 2.871 -3.810 -33.472 457 HG13 VAL 54 HG13 VAL 54 3.686 -5.296 -33.963 458 HG21 VAL 54 HG21 VAL 54 6.470 -3.650 -35.115 459 HG22 VAL 54 HG22 VAL 54 5.663 -5.218 -35.148 460 HG23 VAL 54 HG23 VAL 54 5.643 -4.186 -36.578 461 H HIS 55 H HIS 55 2.909 -1.063 -36.297 462 HA HIS 55 HA HIS 55 4.503 -0.794 -38.749 463 HD1 HIS 55 HD1 HIS 55 3.893 -0.651 -41.302 464 HD2 HIS 55 HD2 HIS 55 2.083 2.816 -39.900 465 HE1 HIS 55 HE1 HIS 55 4.210 1.056 -43.121 466 HB2 HIS 55 HB2 HIS 55 2.025 -0.876 -39.249 467 HB3 HIS 55 HB3 HIS 55 1.867 0.623 -38.339 468 H TYR 56 H TYR 56 5.194 1.435 -39.174 469 HA TYR 56 HA TYR 56 5.742 2.823 -36.651 470 HD1 TYR 56 HD1 TYR 56 7.152 1.166 -40.244 471 HD2 TYR 56 HD2 TYR 56 7.171 5.380 -39.657 472 HE1 TYR 56 HE1 TYR 56 7.229 1.500 -42.680 473 HE2 TYR 56 HE2 TYR 56 7.247 5.725 -42.091 474 HH TYR 56 HH TYR 56 8.117 4.236 -44.135 475 HB2 TYR 56 HB2 TYR 56 7.588 3.888 -37.815 476 HB3 TYR 56 HB3 TYR 56 7.670 2.146 -38.053 477 H VAL 57 H VAL 57 6.256 5.333 -37.324 478 HA VAL 57 HA VAL 57 3.886 6.333 -38.752 479 HB VAL 57 HB VAL 57 3.745 8.174 -37.046 480 HG11 VAL 57 HG11 VAL 57 3.170 5.314 -36.349 481 HG12 VAL 57 HG12 VAL 57 2.711 6.634 -35.272 482 HG13 VAL 57 HG13 VAL 57 2.060 6.564 -36.909 483 HG21 VAL 57 HG21 VAL 57 5.900 8.054 -36.029 484 HG22 VAL 57 HG22 VAL 57 4.710 7.629 -34.798 485 HG23 VAL 57 HG23 VAL 57 5.659 6.365 -35.581 486 H ASN 58 H ASN 58 7.121 7.016 -37.505 487 HA ASN 58 HA ASN 58 7.356 9.407 -39.132 488 HB2 ASN 58 HB2 ASN 58 8.377 9.536 -36.972 489 HB3 ASN 58 HB3 ASN 58 9.247 8.026 -37.225 490 HD21 ASN 58 HD21 ASN 58 8.852 11.183 -38.801 491 HD22 ASN 58 HD22 ASN 58 10.527 11.399 -39.166 492 H TYR 59 H TYR 59 9.633 6.705 -38.735 493 HA TYR 59 HA TYR 59 9.560 5.846 -41.417 494 HD1 TYR 59 HD1 TYR 59 10.465 5.428 -43.313 495 HD2 TYR 59 HD2 TYR 59 13.801 7.675 -41.927 496 HE1 TYR 59 HE1 TYR 59 11.875 4.388 -45.039 497 HE2 TYR 59 HE2 TYR 59 15.221 6.641 -43.649 498 HH TYR 59 HH TYR 59 14.001 4.962 -46.270 499 HB2 TYR 59 HB2 TYR 59 10.552 8.010 -41.918 500 HB3 TYR 59 HB3 TYR 59 11.813 7.740 -40.720 501 H ASN 60 H ASN 60 9.954 3.773 -41.021 502 HA ASN 60 HA ASN 60 12.502 2.923 -40.051 503 HB2 ASN 60 HB2 ASN 60 10.144 2.882 -38.235 504 HB3 ASN 60 HB3 ASN 60 11.202 1.475 -38.218 505 HD21 ASN 60 HD21 ASN 60 10.677 4.531 -36.996 506 HD22 ASN 60 HD22 ASN 60 12.229 4.804 -36.288 507 H LYS 61 H LYS 61 13.001 1.040 -40.983 508 HA LYS 61 HA LYS 61 10.894 -0.391 -42.410 509 HB2 LYS 61 HB2 LYS 61 13.181 0.363 -43.401 510 HB3 LYS 61 HB3 LYS 61 13.817 -1.052 -42.574 511 HG2 LYS 61 HG2 LYS 61 13.373 -1.731 -44.780 512 HG3 LYS 61 HG3 LYS 61 12.069 -2.401 -43.797 513 HD2 LYS 61 HD2 LYS 61 10.768 -0.281 -44.432 514 HD3 LYS 61 HD3 LYS 61 11.994 -0.065 -45.684 515 HE2 LYS 61 HE2 LYS 61 11.462 -2.281 -46.580 516 HE3 LYS 61 HE3 LYS 61 10.238 -2.493 -45.329 517 HZ1 LYS 61 HZ1 LYS 61 8.879 -1.668 -46.888 518 HZ2 LYS 61 HZ2 LYS 61 10.130 -0.953 -47.774 519 HZ3 LYS 61 HZ3 LYS 61 9.495 -0.165 -46.419 520 H ARG 62 H ARG 62 13.030 -0.738 -39.705 521 HA ARG 62 HA ARG 62 12.677 -3.599 -39.499 522 HE ARG 62 HE ARG 62 14.350 -0.438 -34.416 523 HB2 ARG 62 HB2 ARG 62 13.924 -3.325 -37.352 524 HB3 ARG 62 HB3 ARG 62 14.779 -2.707 -38.759 525 HG2 ARG 62 HG2 ARG 62 14.507 -0.505 -38.126 526 HG3 ARG 62 HG3 ARG 62 13.115 -0.865 -37.102 527 HD2 ARG 62 HD2 ARG 62 14.823 -2.246 -35.716 528 HD3 ARG 62 HD3 ARG 62 16.028 -1.269 -36.554 529 HH11 ARG 62 HH11 ARG 62 15.878 0.673 -37.340 530 HH12 ARG 62 HH12 ARG 62 15.952 2.327 -36.828 531 HH21 ARG 62 HH21 ARG 62 14.443 1.736 -33.730 532 HH22 ARG 62 HH22 ARG 62 15.137 2.930 -34.774 533 H LEU 63 H LEU 63 11.160 -0.730 -38.299 534 HA LEU 63 HA LEU 63 9.852 -1.920 -36.062 535 HG LEU 63 HG LEU 63 11.259 0.654 -35.904 536 HB2 LEU 63 HB2 LEU 63 9.495 0.623 -37.602 537 HB3 LEU 63 HB3 LEU 63 8.322 0.143 -36.377 538 HD11 LEU 63 HD11 LEU 63 10.748 2.741 -35.185 539 HD12 LEU 63 HD12 LEU 63 9.128 2.286 -34.657 540 HD13 LEU 63 HD13 LEU 63 9.453 2.557 -36.369 541 HD21 LEU 63 HD21 LEU 63 10.942 -0.633 -34.108 542 HD22 LEU 63 HD22 LEU 63 9.192 -0.661 -34.329 543 HD23 LEU 63 HD23 LEU 63 9.952 0.687 -33.484 544 H ASP 64 H ASP 64 9.018 -1.419 -39.442 545 HA ASP 64 HA ASP 64 6.310 -2.333 -39.128 546 HB2 ASP 64 HB2 ASP 64 7.071 -0.719 -40.905 547 HB3 ASP 64 HB3 ASP 64 7.887 -2.067 -41.692 548 H GLU 65 H GLU 65 6.981 -4.341 -37.991 549 HA GLU 65 HA GLU 65 7.285 -6.502 -39.942 550 HB2 GLU 65 HB2 GLU 65 8.833 -6.422 -37.349 551 HB3 GLU 65 HB3 GLU 65 8.916 -7.664 -38.590 552 HG2 GLU 65 HG2 GLU 65 9.703 -4.798 -39.039 553 HG3 GLU 65 HG3 GLU 65 10.829 -6.067 -38.564 554 H TRP 66 H TRP 66 7.176 -8.680 -38.425 555 HA TRP 66 HA TRP 66 4.589 -8.411 -37.063 556 HD1 TRP 66 HD1 TRP 66 5.736 -9.046 -40.541 557 HE1 TRP 66 HE1 TRP 66 3.766 -8.873 -42.189 558 HE3 TRP 66 HE3 TRP 66 2.086 -11.183 -37.669 559 HZ2 TRP 66 HZ2 TRP 66 1.027 -9.551 -42.260 560 HZ3 TRP 66 HZ3 TRP 66 -0.182 -11.382 -38.601 561 HH2 TRP 66 HH2 TRP 66 -0.699 -10.582 -40.849 562 HB2 TRP 66 HB2 TRP 66 5.963 -10.795 -38.314 563 HB3 TRP 66 HB3 TRP 66 4.477 -10.912 -37.375 564 H ILE 67 H ILE 67 4.351 -8.867 -34.953 565 HA ILE 67 HA ILE 67 6.458 -10.324 -33.545 566 HB ILE 67 HB ILE 67 6.523 -8.661 -31.731 567 HG12 ILE 67 HG12 ILE 67 5.084 -6.781 -33.601 568 HG13 ILE 67 HG13 ILE 67 4.242 -7.694 -32.353 569 HG21 ILE 67 HG21 ILE 67 7.845 -6.952 -32.936 570 HG22 ILE 67 HG22 ILE 67 8.261 -8.601 -33.398 571 HG23 ILE 67 HG23 ILE 67 7.257 -7.615 -34.461 572 HD11 ILE 67 HD11 ILE 67 4.677 -5.513 -31.517 573 HD12 ILE 67 HD12 ILE 67 5.746 -6.634 -30.675 574 HD13 ILE 67 HD13 ILE 67 6.378 -5.616 -31.969 575 H THR 68 H THR 68 5.806 -10.889 -31.303 576 HA THR 68 HA THR 68 2.946 -11.533 -31.253 577 HB THR 68 HB THR 68 3.540 -13.189 -29.514 578 HG1 THR 68 HG1 THR 68 5.559 -13.352 -28.769 579 HG21 THR 68 HG21 THR 68 5.314 -13.482 -31.936 580 HG22 THR 68 HG22 THR 68 3.569 -13.738 -31.963 581 HG23 THR 68 HG23 THR 68 4.597 -14.770 -30.968 582 H THR 69 H THR 69 2.038 -11.702 -28.936 583 HA THR 69 HA THR 69 1.868 -9.145 -27.843 584 HB THR 69 HB THR 69 0.183 -10.958 -27.513 585 HG1 THR 69 HG1 THR 69 0.247 -9.057 -26.165 586 HG21 THR 69 HG21 THR 69 0.489 -12.712 -26.010 587 HG22 THR 69 HG22 THR 69 1.869 -11.935 -25.233 588 HG23 THR 69 HG23 THR 69 2.041 -12.632 -26.844 589 H ASP 70 H ASP 70 4.141 -11.691 -27.256 590 HA ASP 70 HA ASP 70 5.067 -11.066 -24.715 591 HB2 ASP 70 HB2 ASP 70 5.893 -13.047 -25.698 592 HB3 ASP 70 HB3 ASP 70 6.448 -12.199 -27.139 593 H ARG 71 H ARG 71 5.507 -9.390 -27.717 594 HA ARG 71 HA ARG 71 7.527 -7.635 -26.514 595 HE ARG 71 HE ARG 71 8.987 -9.655 -26.482 596 HB2 ARG 71 HB2 ARG 71 6.602 -7.894 -29.381 597 HB3 ARG 71 HB3 ARG 71 7.834 -6.772 -28.820 598 HG2 ARG 71 HG2 ARG 71 8.052 -9.751 -28.484 599 HG3 ARG 71 HG3 ARG 71 8.676 -8.883 -29.888 600 HD2 ARG 71 HD2 ARG 71 10.549 -8.925 -28.574 601 HD3 ARG 71 HD3 ARG 71 9.831 -7.404 -28.044 602 HH11 ARG 71 HH11 ARG 71 11.481 -7.265 -26.912 603 HH12 ARG 71 HH12 ARG 71 12.015 -7.336 -25.265 604 HH21 ARG 71 HH21 ARG 71 9.680 -9.758 -24.312 605 HH22 ARG 71 HH22 ARG 71 10.990 -8.754 -23.787 606 H ILE 72 H ILE 72 4.217 -7.782 -27.375 607 HA ILE 72 HA ILE 72 3.935 -4.866 -27.287 608 HB ILE 72 HB ILE 72 1.895 -6.981 -27.986 609 HG12 ILE 72 HG12 ILE 72 3.360 -5.009 -29.754 610 HG13 ILE 72 HG13 ILE 72 3.718 -6.729 -29.644 611 HG21 ILE 72 HG21 ILE 72 0.357 -5.412 -27.680 612 HG22 ILE 72 HG22 ILE 72 1.596 -4.233 -27.253 613 HG23 ILE 72 HG23 ILE 72 1.128 -4.448 -28.940 614 HD11 ILE 72 HD11 ILE 72 1.837 -5.401 -31.298 615 HD12 ILE 72 HD12 ILE 72 2.239 -7.117 -31.234 616 HD13 ILE 72 HD13 ILE 72 0.963 -6.472 -30.202 617 H ASN 73 H ASN 73 3.513 -3.958 -25.395 618 HA ASN 73 HA ASN 73 2.580 -5.515 -23.159 619 HB2 ASN 73 HB2 ASN 73 4.193 -3.343 -23.345 620 HB3 ASN 73 HB3 ASN 73 2.671 -2.570 -22.915 621 HD21 ASN 73 HD21 ASN 73 5.048 -2.702 -21.338 622 HD22 ASN 73 HD22 ASN 73 4.650 -3.549 -19.886 623 H LEU 74 H LEU 74 0.521 -5.879 -22.701 624 HA LEU 74 HA LEU 74 -1.578 -4.450 -24.059 625 HG LEU 74 HG LEU 74 -3.034 -7.798 -23.860 626 HB2 LEU 74 HB2 LEU 74 -1.354 -6.847 -22.357 627 HB3 LEU 74 HB3 LEU 74 -2.887 -5.982 -22.267 628 HD11 LEU 74 HD11 LEU 74 -2.903 -5.213 -25.393 629 HD12 LEU 74 HD12 LEU 74 -4.200 -5.610 -24.268 630 HD13 LEU 74 HD13 LEU 74 -3.940 -6.607 -25.699 631 HD21 LEU 74 HD21 LEU 74 -1.233 -6.641 -25.849 632 HD22 LEU 74 HD22 LEU 74 -1.461 -8.321 -25.362 633 HD23 LEU 74 HD23 LEU 74 -0.409 -7.264 -24.419 634 H ASP 75 H ASP 75 -1.364 -5.252 -20.602 635 HA ASP 75 HA ASP 75 -1.932 -2.446 -19.957 636 HB2 ASP 75 HB2 ASP 75 -4.089 -3.547 -19.908 637 HB3 ASP 75 HB3 ASP 75 -3.447 -4.840 -18.898 638 H LYS 76 H LYS 76 -1.588 -5.535 -18.206 639 HA LYS 76 HA LYS 76 -0.238 -4.444 -16.008 640 HB2 LYS 76 HB2 LYS 76 -0.422 -7.235 -17.118 641 HB3 LYS 76 HB3 LYS 76 0.541 -6.881 -15.689 642 HG2 LYS 76 HG2 LYS 76 -2.377 -6.197 -15.916 643 HG3 LYS 76 HG3 LYS 76 -1.781 -7.722 -15.257 644 HD2 LYS 76 HD2 LYS 76 -0.872 -5.056 -14.206 645 HD3 LYS 76 HD3 LYS 76 -2.315 -5.866 -13.593 646 HE2 LYS 76 HE2 LYS 76 0.295 -7.322 -13.733 647 HE3 LYS 76 HE3 LYS 76 -0.037 -6.221 -12.396 648 HZ1 LYS 76 HZ1 LYS 76 -2.257 -7.907 -12.791 649 HZ2 LYS 76 HZ2 LYS 76 -1.256 -7.778 -11.433 650 HZ3 LYS 76 HZ3 LYS 76 -0.865 -8.860 -12.673 651 H GLU 77 H GLU 77 2.040 -5.622 -15.449 652 HA GLU 77 HA GLU 77 3.878 -4.520 -17.429 653 HB2 GLU 77 HB2 GLU 77 5.571 -4.695 -15.671 654 HB3 GLU 77 HB3 GLU 77 4.154 -3.825 -15.099 655 HG2 GLU 77 HG2 GLU 77 3.376 -5.986 -14.077 656 HG3 GLU 77 HG3 GLU 77 4.965 -6.645 -14.460 657 H VAL 78 H VAL 78 5.026 -5.741 -18.773 658 HA VAL 78 HA VAL 78 4.893 -8.640 -18.510 659 HB VAL 78 HB VAL 78 5.843 -6.849 -20.742 660 HG11 VAL 78 HG11 VAL 78 7.182 -8.531 -21.356 661 HG12 VAL 78 HG12 VAL 78 6.440 -9.655 -20.217 662 HG13 VAL 78 HG13 VAL 78 5.700 -9.380 -21.794 663 HG21 VAL 78 HG21 VAL 78 3.765 -7.014 -21.514 664 HG22 VAL 78 HG22 VAL 78 3.831 -8.775 -21.428 665 HG23 VAL 78 HG23 VAL 78 3.317 -7.842 -20.023 666 H LEU 79 H LEU 79 6.461 -9.745 -17.559 667 HA LEU 79 HA LEU 79 9.224 -8.769 -17.776 668 HG LEU 79 HG LEU 79 9.542 -7.295 -16.177 669 HB2 LEU 79 HB2 LEU 79 7.627 -9.091 -15.378 670 HB3 LEU 79 HB3 LEU 79 9.101 -10.056 -15.321 671 HD11 LEU 79 HD11 LEU 79 7.882 -7.814 -13.850 672 HD12 LEU 79 HD12 LEU 79 8.243 -6.295 -14.669 673 HD13 LEU 79 HD13 LEU 79 9.353 -6.926 -13.454 674 HD21 LEU 79 HD21 LEU 79 11.129 -7.662 -14.073 675 HD22 LEU 79 HD22 LEU 79 11.501 -8.325 -15.665 676 HD23 LEU 79 HD23 LEU 79 10.770 -9.352 -14.431 677 H TYR 80 H TYR 80 9.654 -10.315 -19.361 678 HA TYR 80 HA TYR 80 9.558 -13.116 -18.450 679 HD1 TYR 80 HD1 TYR 80 7.867 -14.737 -19.289 680 HD2 TYR 80 HD2 TYR 80 7.283 -11.207 -21.591 681 HE1 TYR 80 HE1 TYR 80 5.432 -15.054 -19.147 682 HE2 TYR 80 HE2 TYR 80 4.847 -11.514 -21.455 683 HH TYR 80 HH TYR 80 3.218 -13.148 -21.016 684 HB2 TYR 80 HB2 TYR 80 9.437 -11.962 -21.238 685 HB3 TYR 80 HB3 TYR 80 9.676 -13.675 -20.911 686 HA PRO 81 HA PRO 81 14.025 -12.065 -18.535 687 HB2 PRO 81 HB2 PRO 81 14.665 -13.731 -16.488 688 HB3 PRO 81 HB3 PRO 81 14.063 -12.088 -16.238 689 HG2 PRO 81 HG2 PRO 81 12.584 -14.687 -16.108 690 HG3 PRO 81 HG3 PRO 81 12.483 -13.288 -15.024 691 HD2 PRO 81 HD2 PRO 81 10.648 -13.768 -16.956 692 HD3 PRO 81 HD3 PRO 81 11.091 -12.126 -16.447 693 H LYS 82 H LYS 82 14.008 -13.186 -20.614 694 HA LYS 82 HA LYS 82 15.016 -15.938 -20.355 695 HB2 LYS 82 HB2 LYS 82 13.827 -16.655 -22.280 696 HB3 LYS 82 HB3 LYS 82 12.659 -15.823 -21.263 697 HG2 LYS 82 HG2 LYS 82 12.104 -14.829 -23.201 698 HG3 LYS 82 HG3 LYS 82 13.460 -13.773 -22.799 699 HD2 LYS 82 HD2 LYS 82 14.860 -15.577 -24.076 700 HD3 LYS 82 HD3 LYS 82 13.302 -15.990 -24.797 701 HE2 LYS 82 HE2 LYS 82 13.435 -14.251 -26.173 702 HE3 LYS 82 HE3 LYS 82 13.639 -13.148 -24.813 703 HZ1 LYS 82 HZ1 LYS 82 15.949 -14.720 -25.700 704 HZ2 LYS 82 HZ2 LYS 82 15.898 -13.179 -25.004 705 HZ3 LYS 82 HZ3 LYS 82 15.479 -13.387 -26.629 706 H LEU 83 H LEU 83 16.645 -16.542 -21.798 707 HA LEU 83 HA LEU 83 17.777 -14.366 -23.426 708 HG LEU 83 HG LEU 83 20.467 -14.361 -23.559 709 HB2 LEU 83 HB2 LEU 83 18.904 -15.230 -21.131 710 HB3 LEU 83 HB3 LEU 83 19.653 -16.333 -22.284 711 HD11 LEU 83 HD11 LEU 83 19.991 -12.581 -21.254 712 HD12 LEU 83 HD12 LEU 83 18.598 -12.933 -22.275 713 HD13 LEU 83 HD13 LEU 83 20.050 -12.220 -22.979 714 HD21 LEU 83 HD21 LEU 83 21.418 -14.076 -20.741 715 HD22 LEU 83 HD22 LEU 83 22.341 -14.087 -22.244 716 HD23 LEU 83 HD23 LEU 83 21.677 -15.592 -21.606 717 H LYS 84 H LYS 84 19.369 -15.202 -25.070 718 HA LYS 84 HA LYS 84 18.992 -17.945 -25.920 719 HB2 LYS 84 HB2 LYS 84 17.039 -16.735 -26.875 720 HB3 LYS 84 HB3 LYS 84 18.150 -15.669 -27.725 721 HG2 LYS 84 HG2 LYS 84 18.465 -18.586 -28.142 722 HG3 LYS 84 HG3 LYS 84 17.065 -17.796 -28.870 723 HD2 LYS 84 HD2 LYS 84 18.708 -16.092 -29.804 724 HD3 LYS 84 HD3 LYS 84 19.982 -17.216 -29.325 725 HE2 LYS 84 HE2 LYS 84 17.668 -18.033 -31.064 726 HE3 LYS 84 HE3 LYS 84 19.161 -17.368 -31.725 727 HZ1 LYS 84 HZ1 LYS 84 20.128 -19.336 -31.533 728 HZ2 LYS 84 HZ2 LYS 84 18.651 -20.001 -31.043 729 HZ3 LYS 84 HZ3 LYS 84 19.748 -19.433 -29.887 730 H ALA 85 H ALA 85 20.891 -18.664 -26.608 731 HA ALA 85 HA ALA 85 23.114 -16.943 -26.994 732 HB1 ALA 85 HB1 ALA 85 23.043 -19.796 -27.913 733 HB2 ALA 85 HB2 ALA 85 24.395 -18.872 -27.258 734 HB3 ALA 85 HB3 ALA 85 23.083 -19.387 -26.198 735 H THR 86 H THR 86 23.513 -15.747 -28.724 736 HA THR 86 HA THR 86 22.204 -16.251 -31.240 737 HB THR 86 HB THR 86 24.326 -14.185 -30.634 738 HG1 THR 86 HG1 THR 86 22.153 -14.266 -29.401 739 HG21 THR 86 HG21 THR 86 24.166 -14.030 -32.894 740 HG22 THR 86 HG22 THR 86 22.742 -13.072 -32.493 741 HG23 THR 86 HG23 THR 86 22.565 -14.769 -32.941 742 H ASP 87 H ASP 87 23.049 -17.110 -33.057 743 HA ASP 87 HA ASP 87 25.871 -17.955 -32.964 744 HB2 ASP 87 HB2 ASP 87 25.303 -19.932 -34.181 745 HB3 ASP 87 HB3 ASP 87 24.156 -19.801 -32.851 746 H GLU 88 H GLU 88 25.066 -15.430 -33.937 747 HA GLU 88 HA GLU 88 25.590 -15.750 -36.819 748 HB2 GLU 88 HB2 GLU 88 23.983 -13.610 -35.416 749 HB3 GLU 88 HB3 GLU 88 24.431 -13.556 -37.115 750 HG2 GLU 88 HG2 GLU 88 22.973 -15.935 -36.079 751 HG3 GLU 88 HG3 GLU 88 22.089 -14.438 -36.370 752 H ASP 89 H ASP 89 26.435 -13.489 -37.689 753 HA ASP 89 HA ASP 89 28.658 -12.704 -35.920 754 HB2 ASP 89 HB2 ASP 89 28.517 -13.088 -38.897 755 HB3 ASP 89 HB3 ASP 89 29.745 -12.046 -38.184 Start of MODEL 7 1 HA MET -4 HA MET -4 10.040 8.834 4.417 2 H1 MET -4 H1 MET -4 12.601 7.593 3.686 3 HB2 MET -4 HB2 MET -4 9.508 9.185 2.059 4 HB3 MET -4 HB3 MET -4 10.962 10.066 2.507 5 HG2 MET -4 HG2 MET -4 11.266 7.348 1.354 6 HG3 MET -4 HG3 MET -4 10.812 8.671 0.282 7 HE1 MET -4 HE1 MET -4 12.692 10.336 -0.771 8 HE2 MET -4 HE2 MET -4 12.026 11.055 0.696 9 HE3 MET -4 HE3 MET -4 13.766 11.082 0.413 10 H GLY -3 H GLY -3 8.298 7.714 2.799 11 HA2 GLY -3 HA2 GLY -3 8.809 4.808 2.912 12 HA3 GLY -3 HA3 GLY -3 7.314 5.494 3.531 13 H SER -2 H SER -2 7.513 3.508 1.501 14 HA SER -2 HA SER -2 6.204 4.961 -0.686 15 HG SER -2 HG SER -2 7.750 1.781 -1.870 16 HB2 SER -2 HB2 SER -2 7.389 3.804 -2.379 17 HB3 SER -2 HB3 SER -2 8.624 4.323 -1.232 18 H SER -1 H SER -1 4.582 3.820 -1.768 19 HA SER -1 HA SER -1 3.210 1.891 -0.189 20 HG SER -1 HG SER -1 2.436 4.267 -1.010 21 HB2 SER -1 HB2 SER -1 2.512 2.338 -3.064 22 HB3 SER -1 HB3 SER -1 1.449 2.145 -1.670 23 H HIS 0 H HIS 0 2.224 -0.064 -1.577 24 HA HIS 0 HA HIS 0 4.545 -1.687 -2.280 25 HD1 HIS 0 HD1 HIS 0 2.452 -4.928 -0.099 26 HD2 HIS 0 HD2 HIS 0 4.688 -1.439 0.203 27 HE1 HIS 0 HE1 HIS 0 3.755 -5.148 2.040 28 HB2 HIS 0 HB2 HIS 0 1.719 -2.288 -1.484 29 HB3 HIS 0 HB3 HIS 0 2.664 -3.510 -2.330 30 H HIS 1 H HIS 1 4.547 -3.042 -4.167 31 HA HIS 1 HA HIS 1 2.734 -2.222 -6.318 32 HD1 HIS 1 HD1 HIS 1 2.938 -0.405 -8.337 33 HD2 HIS 1 HD2 HIS 1 5.932 0.601 -5.639 34 HE1 HIS 1 HE1 HIS 1 2.894 2.105 -8.190 35 HB2 HIS 1 HB2 HIS 1 5.728 -2.014 -6.321 36 HB3 HIS 1 HB3 HIS 1 4.861 -2.293 -7.828 37 H HIS 2 H HIS 2 3.479 -3.637 -8.382 38 HA HIS 2 HA HIS 2 4.226 -6.335 -7.624 39 HD1 HIS 2 HD1 HIS 2 0.247 -8.283 -8.828 40 HD2 HIS 2 HD2 HIS 2 4.024 -8.397 -7.101 41 HE1 HIS 2 HE1 HIS 2 0.686 -10.709 -8.332 42 HB2 HIS 2 HB2 HIS 2 1.634 -5.895 -7.364 43 HB3 HIS 2 HB3 HIS 2 1.645 -6.095 -9.114 44 H HIS 3 H HIS 3 4.492 -7.753 -9.503 45 HA HIS 3 HA HIS 3 4.355 -6.736 -12.152 46 HD1 HIS 3 HD1 HIS 3 8.531 -8.285 -11.636 47 HD2 HIS 3 HD2 HIS 3 6.988 -5.699 -8.774 48 HE1 HIS 3 HE1 HIS 3 9.966 -8.606 -9.596 49 HB2 HIS 3 HB2 HIS 3 6.820 -6.680 -12.575 50 HB3 HIS 3 HB3 HIS 3 6.249 -5.389 -11.522 51 H HIS 4 H HIS 4 5.201 -8.257 -13.741 52 HA HIS 4 HA HIS 4 5.899 -10.902 -12.719 53 HD1 HIS 4 HD1 HIS 4 3.763 -13.459 -12.522 54 HD2 HIS 4 HD2 HIS 4 2.372 -9.628 -11.716 55 HE1 HIS 4 HE1 HIS 4 2.410 -13.665 -10.413 56 HB2 HIS 4 HB2 HIS 4 3.431 -10.250 -14.304 57 HB3 HIS 4 HB3 HIS 4 4.176 -11.842 -14.419 58 H HIS 5 H HIS 5 6.197 -12.427 -14.738 59 HA HIS 5 HA HIS 5 7.004 -11.222 -17.183 60 HD1 HIS 5 HD1 HIS 5 10.954 -13.246 -16.675 61 HD2 HIS 5 HD2 HIS 5 9.146 -10.136 -18.754 62 HE1 HIS 5 HE1 HIS 5 12.187 -13.093 -18.861 63 HB2 HIS 5 HB2 HIS 5 8.882 -10.465 -15.787 64 HB3 HIS 5 HB3 HIS 5 9.213 -12.132 -15.325 65 H SER 6 H SER 6 7.552 -12.745 -18.769 66 HA SER 6 HA SER 6 7.434 -15.566 -17.947 67 HG SER 6 HG SER 6 5.820 -13.942 -21.056 68 HB2 SER 6 HB2 SER 6 6.098 -15.854 -20.181 69 HB3 SER 6 HB3 SER 6 5.254 -15.325 -18.726 70 H SER 7 H SER 7 8.308 -17.061 -19.533 71 HA SER 7 HA SER 7 9.834 -16.029 -21.745 72 HG SER 7 HG SER 7 11.448 -15.661 -18.476 73 HB2 SER 7 HB2 SER 7 11.447 -17.411 -19.615 74 HB3 SER 7 HB3 SER 7 12.011 -16.428 -20.967 75 H GLY 8 H GLY 8 10.063 -17.547 -23.284 76 HA2 GLY 8 HA2 GLY 8 10.716 -20.070 -23.408 77 HA3 GLY 8 HA3 GLY 8 9.155 -20.258 -22.623 78 H LEU 9 H LEU 9 7.707 -20.962 -24.035 79 HA LEU 9 HA LEU 9 7.817 -19.939 -26.792 80 HG LEU 9 HG LEU 9 8.477 -21.838 -28.103 81 HB2 LEU 9 HB2 LEU 9 6.960 -22.526 -25.594 82 HB3 LEU 9 HB3 LEU 9 6.180 -21.985 -27.079 83 HD11 LEU 9 HD11 LEU 9 10.232 -23.198 -26.999 84 HD12 LEU 9 HD12 LEU 9 9.213 -23.283 -25.563 85 HD13 LEU 9 HD13 LEU 9 9.824 -21.725 -26.118 86 HD21 LEU 9 HD21 LEU 9 7.764 -24.600 -27.147 87 HD22 LEU 9 HD22 LEU 9 8.537 -24.136 -28.663 88 HD23 LEU 9 HD23 LEU 9 6.842 -23.739 -28.380 89 H VAL 10 H VAL 10 5.283 -21.243 -24.645 90 HA VAL 10 HA VAL 10 3.485 -19.133 -25.626 91 HB VAL 10 HB VAL 10 2.652 -21.387 -25.999 92 HG11 VAL 10 HG11 VAL 10 3.870 -22.509 -24.193 93 HG12 VAL 10 HG12 VAL 10 2.818 -21.733 -23.006 94 HG13 VAL 10 HG13 VAL 10 2.150 -22.893 -24.154 95 HG21 VAL 10 HG21 VAL 10 0.987 -19.711 -25.578 96 HG22 VAL 10 HG22 VAL 10 0.491 -21.199 -24.773 97 HG23 VAL 10 HG23 VAL 10 1.190 -19.879 -23.835 98 HA PRO 11 HA PRO 11 3.736 -17.173 -21.668 99 HB2 PRO 11 HB2 PRO 11 1.613 -15.508 -21.970 100 HB3 PRO 11 HB3 PRO 11 3.165 -15.240 -22.772 101 HG2 PRO 11 HG2 PRO 11 0.653 -16.450 -23.862 102 HG3 PRO 11 HG3 PRO 11 1.756 -15.287 -24.621 103 HD2 PRO 11 HD2 PRO 11 1.803 -17.931 -25.202 104 HD3 PRO 11 HD3 PRO 11 3.263 -16.921 -25.230 105 H ARG 12 H ARG 12 2.551 -16.999 -19.699 106 HA ARG 12 HA ARG 12 -0.044 -18.271 -19.504 107 HE ARG 12 HE ARG 12 5.046 -21.316 -16.737 108 HB2 ARG 12 HB2 ARG 12 0.773 -19.844 -17.714 109 HB3 ARG 12 HB3 ARG 12 1.294 -20.236 -19.347 110 HG2 ARG 12 HG2 ARG 12 3.482 -19.721 -18.924 111 HG3 ARG 12 HG3 ARG 12 3.078 -18.576 -17.643 112 HD2 ARG 12 HD2 ARG 12 3.211 -20.151 -16.069 113 HD3 ARG 12 HD3 ARG 12 2.226 -21.274 -17.006 114 HH11 ARG 12 HH11 ARG 12 2.493 -21.876 -19.038 115 HH12 ARG 12 HH12 ARG 12 3.405 -23.018 -19.968 116 HH21 ARG 12 HH21 ARG 12 6.256 -22.819 -17.954 117 HH22 ARG 12 HH22 ARG 12 5.545 -23.555 -19.350 118 H GLY 13 H GLY 13 -1.213 -17.554 -17.779 119 HA2 GLY 13 HA2 GLY 13 -1.789 -16.229 -15.996 120 HA3 GLY 13 HA3 GLY 13 -0.174 -16.544 -15.379 121 H SER 14 H SER 14 -1.645 -14.658 -18.028 122 HA SER 14 HA SER 14 0.235 -12.487 -17.403 123 HG SER 14 HG SER 14 -1.453 -13.328 -20.983 124 HB2 SER 14 HB2 SER 14 -0.268 -11.639 -19.661 125 HB3 SER 14 HB3 SER 14 0.311 -13.304 -19.717 126 H HIS 15 H HIS 15 -0.967 -10.315 -18.413 127 HA HIS 15 HA HIS 15 -3.593 -10.118 -17.116 128 HD1 HIS 15 HD1 HIS 15 -0.399 -10.659 -15.481 129 HD2 HIS 15 HD2 HIS 15 -3.540 -8.603 -13.701 130 HE1 HIS 15 HE1 HIS 15 -0.527 -11.534 -13.127 131 HB2 HIS 15 HB2 HIS 15 -1.227 -8.297 -16.655 132 HB3 HIS 15 HB3 HIS 15 -2.878 -7.866 -16.217 133 H MET 16 H MET 16 -2.931 -10.333 -19.891 134 HA MET 16 HA MET 16 -3.905 -7.713 -20.815 135 HB2 MET 16 HB2 MET 16 -2.575 -7.906 -22.832 136 HB3 MET 16 HB3 MET 16 -1.526 -8.010 -21.424 137 HG2 MET 16 HG2 MET 16 -1.997 -10.614 -21.809 138 HG3 MET 16 HG3 MET 16 -2.174 -10.037 -23.464 139 HE1 MET 16 HE1 MET 16 0.382 -11.976 -23.557 140 HE2 MET 16 HE2 MET 16 1.447 -11.659 -22.187 141 HE3 MET 16 HE3 MET 16 -0.257 -12.021 -21.913 142 H SER 17 H SER 17 -5.118 -7.801 -22.843 143 HA SER 17 HA SER 17 -6.233 -10.429 -23.497 144 HG SER 17 HG SER 17 -7.984 -8.468 -20.995 145 HB2 SER 17 HB2 SER 17 -8.024 -8.042 -23.041 146 HB3 SER 17 HB3 SER 17 -8.496 -9.726 -23.267 147 H VAL 18 H VAL 18 -6.482 -10.725 -25.622 148 HA VAL 18 HA VAL 18 -5.755 -8.597 -27.428 149 HB VAL 18 HB VAL 18 -4.986 -10.931 -27.778 150 HG11 VAL 18 HG11 VAL 18 -7.383 -11.904 -29.051 151 HG12 VAL 18 HG12 VAL 18 -6.379 -12.665 -27.815 152 HG13 VAL 18 HG13 VAL 18 -7.669 -11.557 -27.346 153 HG21 VAL 18 HG21 VAL 18 -6.698 -10.124 -30.105 154 HG22 VAL 18 HG22 VAL 18 -5.303 -9.163 -29.613 155 HG23 VAL 18 HG23 VAL 18 -5.087 -10.841 -30.110 156 H ASP 19 H ASP 19 -8.629 -9.702 -26.066 157 HA ASP 19 HA ASP 19 -10.401 -9.265 -28.254 158 HB2 ASP 19 HB2 ASP 19 -10.904 -10.656 -26.211 159 HB3 ASP 19 HB3 ASP 19 -11.080 -9.152 -25.312 160 H ASP 20 H ASP 20 -8.605 -7.163 -26.368 161 HA ASP 20 HA ASP 20 -10.517 -4.959 -26.647 162 HB2 ASP 20 HB2 ASP 20 -9.629 -5.028 -24.454 163 HB3 ASP 20 HB3 ASP 20 -7.989 -5.295 -25.041 164 H ILE 21 H ILE 21 -7.552 -6.197 -27.921 165 HA ILE 21 HA ILE 21 -6.765 -3.722 -29.182 166 HB ILE 21 HB ILE 21 -5.714 -6.525 -29.586 167 HG12 ILE 21 HG12 ILE 21 -4.654 -4.223 -27.932 168 HG13 ILE 21 HG13 ILE 21 -5.377 -5.699 -27.302 169 HG21 ILE 21 HG21 ILE 21 -5.276 -5.107 -31.514 170 HG22 ILE 21 HG22 ILE 21 -4.587 -3.870 -30.464 171 HG23 ILE 21 HG23 ILE 21 -3.785 -5.432 -30.630 172 HD11 ILE 21 HD11 ILE 21 -3.292 -6.493 -29.008 173 HD12 ILE 21 HD12 ILE 21 -2.667 -5.178 -28.013 174 HD13 ILE 21 HD13 ILE 21 -3.366 -6.606 -27.250 175 H ILE 22 H ILE 22 -7.133 -3.092 -31.237 176 HA ILE 22 HA ILE 22 -8.550 -4.962 -33.017 177 HB ILE 22 HB ILE 22 -9.973 -3.190 -33.825 178 HG12 ILE 22 HG12 ILE 22 -8.567 -1.421 -31.811 179 HG13 ILE 22 HG13 ILE 22 -8.403 -1.320 -33.561 180 HG21 ILE 22 HG21 ILE 22 -10.778 -4.441 -31.912 181 HG22 ILE 22 HG22 ILE 22 -9.968 -3.325 -30.813 182 HG23 ILE 22 HG23 ILE 22 -11.313 -2.764 -31.806 183 HD11 ILE 22 HD11 ILE 22 -10.859 -0.842 -33.661 184 HD12 ILE 22 HD12 ILE 22 -10.831 -0.710 -31.903 185 HD13 ILE 22 HD13 ILE 22 -9.877 0.401 -32.887 186 H ILE 23 H ILE 23 -8.733 -3.566 -35.282 187 HA ILE 23 HA ILE 23 -5.981 -3.416 -36.154 188 HB ILE 23 HB ILE 23 -8.447 -2.914 -37.814 189 HG12 ILE 23 HG12 ILE 23 -8.620 -5.102 -36.706 190 HG13 ILE 23 HG13 ILE 23 -8.354 -5.285 -38.436 191 HG21 ILE 23 HG21 ILE 23 -6.904 -2.407 -39.341 192 HG22 ILE 23 HG22 ILE 23 -5.593 -3.028 -38.339 193 HG23 ILE 23 HG23 ILE 23 -6.516 -4.127 -39.364 194 HD11 ILE 23 HD11 ILE 23 -5.819 -5.256 -37.207 195 HD12 ILE 23 HD12 ILE 23 -6.847 -6.339 -36.270 196 HD13 ILE 23 HD13 ILE 23 -6.638 -6.601 -38.002 197 H LYS 24 H LYS 24 -4.987 -1.634 -37.119 198 HA LYS 24 HA LYS 24 -4.425 0.557 -37.357 199 HB2 LYS 24 HB2 LYS 24 -7.415 1.000 -37.432 200 HB3 LYS 24 HB3 LYS 24 -6.186 2.131 -37.984 201 HG2 LYS 24 HG2 LYS 24 -5.826 1.014 -39.916 202 HG3 LYS 24 HG3 LYS 24 -6.141 -0.565 -39.191 203 HD2 LYS 24 HD2 LYS 24 -7.896 -0.080 -40.757 204 HD3 LYS 24 HD3 LYS 24 -8.560 0.017 -39.124 205 HE2 LYS 24 HE2 LYS 24 -8.542 2.392 -39.170 206 HE3 LYS 24 HE3 LYS 24 -7.577 2.421 -40.645 207 HZ1 LYS 24 HZ1 LYS 24 -9.377 1.762 -41.928 208 HZ2 LYS 24 HZ2 LYS 24 -10.077 2.840 -40.827 209 HZ3 LYS 24 HZ3 LYS 24 -10.251 1.172 -40.605 210 H CYS 25 H CYS 25 -4.677 -0.523 -34.712 211 HA CYS 25 HA CYS 25 -5.566 1.830 -33.186 212 HG CYS 25 HG CYS 25 -7.699 1.131 -31.318 213 HB2 CYS 25 HB2 CYS 25 -6.356 -0.688 -32.776 214 HB3 CYS 25 HB3 CYS 25 -4.886 -0.720 -31.810 215 H GLN 26 H GLN 26 -4.259 2.319 -31.216 216 HA GLN 26 HA GLN 26 -1.423 2.261 -31.925 217 HB2 GLN 26 HB2 GLN 26 -1.170 4.060 -30.285 218 HB3 GLN 26 HB3 GLN 26 -2.420 4.447 -31.459 219 HG2 GLN 26 HG2 GLN 26 -3.950 3.336 -29.583 220 HG3 GLN 26 HG3 GLN 26 -2.633 3.913 -28.562 221 HE21 GLN 26 HE21 GLN 26 -4.073 5.379 -27.581 222 HE22 GLN 26 HE22 GLN 26 -4.543 6.839 -28.374 223 H CYS 27 H CYS 27 -0.046 0.947 -30.940 224 HA CYS 27 HA CYS 27 -0.746 -0.081 -28.270 225 HG CYS 27 HG CYS 27 -1.610 -3.069 -28.304 226 HB2 CYS 27 HB2 CYS 27 0.171 -1.536 -30.712 227 HB3 CYS 27 HB3 CYS 27 0.695 -2.125 -29.139 228 H TRP 28 H TRP 28 0.725 0.308 -26.756 229 HA TRP 28 HA TRP 28 3.173 1.632 -27.398 230 HD1 TRP 28 HD1 TRP 28 0.033 2.639 -25.340 231 HE1 TRP 28 HE1 TRP 28 0.156 5.203 -25.157 232 HE3 TRP 28 HE3 TRP 28 5.112 3.197 -25.155 233 HZ2 TRP 28 HZ2 TRP 28 2.144 7.199 -24.961 234 HZ3 TRP 28 HZ3 TRP 28 6.043 5.467 -24.970 235 HH2 TRP 28 HH2 TRP 28 4.588 7.425 -24.876 236 HB2 TRP 28 HB2 TRP 28 1.845 0.727 -24.870 237 HB3 TRP 28 HB3 TRP 28 3.540 1.205 -24.831 238 H VAL 29 H VAL 29 5.124 0.792 -27.750 239 HA VAL 29 HA VAL 29 5.481 -2.094 -27.372 240 HB VAL 29 HB VAL 29 7.131 -0.140 -28.982 241 HG11 VAL 29 HG11 VAL 29 7.328 -3.126 -28.640 242 HG12 VAL 29 HG12 VAL 29 8.124 -2.234 -29.939 243 HG13 VAL 29 HG13 VAL 29 8.549 -1.912 -28.257 244 HG21 VAL 29 HG21 VAL 29 6.096 -1.854 -30.782 245 HG22 VAL 29 HG22 VAL 29 4.787 -1.820 -29.599 246 HG23 VAL 29 HG23 VAL 29 5.339 -0.321 -30.348 247 H GLN 30 H GLN 30 6.398 -2.660 -25.515 248 HA GLN 30 HA GLN 30 8.238 -0.846 -24.171 249 HB2 GLN 30 HB2 GLN 30 6.346 -2.129 -23.012 250 HB3 GLN 30 HB3 GLN 30 7.364 -3.552 -23.182 251 HG2 GLN 30 HG2 GLN 30 9.122 -2.449 -21.891 252 HG3 GLN 30 HG3 GLN 30 8.094 -1.028 -21.715 253 HE21 GLN 30 HE21 GLN 30 9.246 -3.375 -19.975 254 HE22 GLN 30 HE22 GLN 30 7.912 -3.745 -18.941 255 H LYS 31 H LYS 31 10.232 -0.913 -25.026 256 HA LYS 31 HA LYS 31 11.400 -3.342 -26.024 257 HB2 LYS 31 HB2 LYS 31 11.814 -0.695 -26.540 258 HB3 LYS 31 HB3 LYS 31 13.184 -1.057 -25.498 259 HG2 LYS 31 HG2 LYS 31 13.827 -1.344 -27.792 260 HG3 LYS 31 HG3 LYS 31 13.793 -2.920 -26.997 261 HD2 LYS 31 HD2 LYS 31 11.930 -3.614 -28.155 262 HD3 LYS 31 HD3 LYS 31 11.351 -1.968 -28.421 263 HE2 LYS 31 HE2 LYS 31 13.835 -3.064 -29.719 264 HE3 LYS 31 HE3 LYS 31 12.238 -3.188 -30.454 265 HZ1 LYS 31 HZ1 LYS 31 13.713 -0.702 -29.786 266 HZ2 LYS 31 HZ2 LYS 31 12.095 -0.729 -30.282 267 HZ3 LYS 31 HZ3 LYS 31 13.310 -1.271 -31.327 268 H ASN 32 H ASN 32 13.594 -4.043 -25.275 269 HA ASN 32 HA ASN 32 13.548 -4.971 -22.683 270 HB2 ASN 32 HB2 ASN 32 15.107 -5.548 -24.722 271 HB3 ASN 32 HB3 ASN 32 16.190 -4.384 -23.965 272 HD21 ASN 32 HD21 ASN 32 17.249 -4.918 -22.117 273 HD22 ASN 32 HD22 ASN 32 17.196 -6.490 -21.404 274 H ASP 33 H ASP 33 15.589 -2.294 -23.870 275 HA ASP 33 HA ASP 33 15.500 -1.160 -21.151 276 HB2 ASP 33 HB2 ASP 33 17.737 -2.146 -21.897 277 HB3 ASP 33 HB3 ASP 33 17.818 -0.817 -23.050 278 H GLU 34 H GLU 34 13.957 -0.709 -23.747 279 HA GLU 34 HA GLU 34 14.165 2.210 -23.673 280 HB2 GLU 34 HB2 GLU 34 14.291 0.493 -26.145 281 HB3 GLU 34 HB3 GLU 34 13.780 2.174 -26.207 282 HG2 GLU 34 HG2 GLU 34 15.912 2.896 -25.336 283 HG3 GLU 34 HG3 GLU 34 16.429 1.221 -25.143 284 H GLU 35 H GLU 35 12.255 3.208 -24.894 285 HA GLU 35 HA GLU 35 9.859 1.530 -24.763 286 HB2 GLU 35 HB2 GLU 35 10.255 4.132 -23.285 287 HB3 GLU 35 HB3 GLU 35 8.671 3.432 -23.589 288 HG2 GLU 35 HG2 GLU 35 9.093 2.656 -21.484 289 HG3 GLU 35 HG3 GLU 35 9.707 1.321 -22.457 290 H ARG 36 H ARG 36 8.703 1.766 -26.551 291 HA ARG 36 HA ARG 36 8.596 4.379 -27.867 292 HE ARG 36 HE ARG 36 11.118 2.135 -31.097 293 HB2 ARG 36 HB2 ARG 36 8.792 3.128 -30.092 294 HB3 ARG 36 HB3 ARG 36 10.269 3.369 -29.171 295 HG2 ARG 36 HG2 ARG 36 10.558 1.169 -28.799 296 HG3 ARG 36 HG3 ARG 36 8.829 0.861 -28.631 297 HD2 ARG 36 HD2 ARG 36 9.772 -0.236 -30.614 298 HD3 ARG 36 HD3 ARG 36 8.550 0.962 -31.039 299 HH11 ARG 36 HH11 ARG 36 9.094 -0.082 -32.861 300 HH12 ARG 36 HH12 ARG 36 9.841 0.248 -34.389 301 HH21 ARG 36 HH21 ARG 36 12.109 2.578 -33.103 302 HH22 ARG 36 HH22 ARG 36 11.556 1.761 -34.525 303 H LEU 37 H LEU 37 6.968 4.164 -29.817 304 HA LEU 37 HA LEU 37 4.682 2.526 -28.948 305 HG LEU 37 HG LEU 37 2.483 3.485 -28.676 306 HB2 LEU 37 HB2 LEU 37 4.540 4.990 -28.346 307 HB3 LEU 37 HB3 LEU 37 4.421 5.301 -30.076 308 HD11 LEU 37 HD11 LEU 37 1.752 6.311 -29.187 309 HD12 LEU 37 HD12 LEU 37 2.751 5.969 -27.775 310 HD13 LEU 37 HD13 LEU 37 1.176 5.194 -27.950 311 HD21 LEU 37 HD21 LEU 37 1.944 3.212 -30.837 312 HD22 LEU 37 HD22 LEU 37 2.802 4.668 -31.340 313 HD23 LEU 37 HD23 LEU 37 1.175 4.791 -30.670 314 H ALA 38 H ALA 38 3.508 1.555 -30.535 315 HA ALA 38 HA ALA 38 4.080 2.238 -33.326 316 HB1 ALA 38 HB1 ALA 38 4.267 -0.201 -33.861 317 HB2 ALA 38 HB2 ALA 38 5.608 0.454 -32.921 318 HB3 ALA 38 HB3 ALA 38 4.363 -0.510 -32.127 319 H GLU 39 H GLU 39 2.499 1.401 -34.838 320 HA GLU 39 HA GLU 39 -0.141 1.165 -33.587 321 HB2 GLU 39 HB2 GLU 39 0.440 2.939 -35.364 322 HB3 GLU 39 HB3 GLU 39 0.371 1.614 -36.517 323 HG2 GLU 39 HG2 GLU 39 -1.948 1.152 -35.755 324 HG3 GLU 39 HG3 GLU 39 -1.857 2.600 -34.754 325 H ILE 40 H ILE 40 -1.692 -0.349 -34.440 326 HA ILE 40 HA ILE 40 -0.407 -2.847 -35.278 327 HB ILE 40 HB ILE 40 -3.171 -2.388 -34.150 328 HG12 ILE 40 HG12 ILE 40 -1.341 -1.993 -32.531 329 HG13 ILE 40 HG13 ILE 40 -2.305 -3.405 -32.112 330 HG21 ILE 40 HG21 ILE 40 -1.733 -4.838 -35.088 331 HG22 ILE 40 HG22 ILE 40 -2.961 -4.946 -33.828 332 HG23 ILE 40 HG23 ILE 40 -3.385 -4.317 -35.420 333 HD11 ILE 40 HD11 ILE 40 -0.457 -4.606 -32.022 334 HD12 ILE 40 HD12 ILE 40 -0.182 -4.300 -33.737 335 HD13 ILE 40 HD13 ILE 40 0.497 -3.212 -32.527 336 H LEU 41 H LEU 41 -0.633 -3.589 -37.279 337 HA LEU 41 HA LEU 41 -2.646 -2.345 -39.016 338 HG LEU 41 HG LEU 41 0.424 -1.583 -39.053 339 HB2 LEU 41 HB2 LEU 41 -0.118 -3.852 -39.653 340 HB3 LEU 41 HB3 LEU 41 -1.268 -3.298 -40.867 341 HD11 LEU 41 HD11 LEU 41 0.411 -1.982 -42.041 342 HD12 LEU 41 HD12 LEU 41 1.647 -2.541 -40.914 343 HD13 LEU 41 HD13 LEU 41 1.402 -0.813 -41.167 344 HD21 LEU 41 HD21 LEU 41 -1.197 -0.063 -39.248 345 HD22 LEU 41 HD22 LEU 41 -2.056 -1.014 -40.460 346 HD23 LEU 41 HD23 LEU 41 -0.736 0.049 -40.947 347 H SER 42 H SER 42 -1.047 -5.530 -38.956 348 HA SER 42 HA SER 42 -3.693 -6.752 -39.394 349 HG SER 42 HG SER 42 -2.866 -8.835 -41.727 350 HB2 SER 42 HB2 SER 42 -2.018 -6.953 -41.276 351 HB3 SER 42 HB3 SER 42 -1.027 -7.933 -40.195 352 H ILE 43 H ILE 43 -3.902 -8.994 -38.567 353 HA ILE 43 HA ILE 43 -2.213 -9.571 -36.245 354 HB ILE 43 HB ILE 43 -5.223 -9.648 -36.070 355 HG12 ILE 43 HG12 ILE 43 -3.306 -7.571 -34.988 356 HG13 ILE 43 HG13 ILE 43 -4.465 -7.324 -36.290 357 HG21 ILE 43 HG21 ILE 43 -4.823 -9.936 -33.681 358 HG22 ILE 43 HG22 ILE 43 -4.039 -11.211 -34.613 359 HG23 ILE 43 HG23 ILE 43 -3.083 -9.882 -33.959 360 HD11 ILE 43 HD11 ILE 43 -6.130 -8.160 -34.372 361 HD12 ILE 43 HD12 ILE 43 -4.876 -7.420 -33.376 362 HD13 ILE 43 HD13 ILE 43 -5.696 -6.468 -34.614 363 H ASN 44 H ASN 44 -1.814 -11.692 -35.948 364 HA ASN 44 HA ASN 44 -3.069 -13.557 -37.829 365 HB2 ASN 44 HB2 ASN 44 -0.400 -13.240 -36.761 366 HB3 ASN 44 HB3 ASN 44 -0.993 -14.874 -36.477 367 HD21 ASN 44 HD21 ASN 44 0.879 -13.296 -38.457 368 HD22 ASN 44 HD22 ASN 44 0.535 -14.071 -39.963 369 H THR 45 H THR 45 -4.205 -15.318 -37.184 370 HA THR 45 HA THR 45 -4.413 -15.847 -34.298 371 HB THR 45 HB THR 45 -6.885 -16.334 -34.718 372 HG1 THR 45 HG1 THR 45 -7.785 -15.254 -36.511 373 HG21 THR 45 HG21 THR 45 -6.030 -13.454 -35.010 374 HG22 THR 45 HG22 THR 45 -6.000 -14.349 -33.491 375 HG23 THR 45 HG23 THR 45 -7.534 -14.053 -34.310 376 H ARG 46 H ARG 46 -3.054 -17.158 -36.636 377 HA ARG 46 HA ARG 46 -4.495 -19.638 -36.998 378 HE ARG 46 HE ARG 46 -2.331 -22.284 -40.620 379 HB2 ARG 46 HB2 ARG 46 -2.868 -18.385 -38.652 380 HB3 ARG 46 HB3 ARG 46 -1.634 -19.294 -37.791 381 HG2 ARG 46 HG2 ARG 46 -3.967 -20.835 -38.730 382 HG3 ARG 46 HG3 ARG 46 -2.888 -20.201 -39.974 383 HD2 ARG 46 HD2 ARG 46 -1.036 -21.188 -38.371 384 HD3 ARG 46 HD3 ARG 46 -2.370 -22.216 -37.847 385 HH11 ARG 46 HH11 ARG 46 -0.256 -23.194 -37.977 386 HH12 ARG 46 HH12 ARG 46 0.490 -24.497 -38.840 387 HH21 ARG 46 HH21 ARG 46 -1.356 -23.997 -41.767 388 HH22 ARG 46 HH22 ARG 46 -0.135 -24.953 -40.996 389 H LYS 47 H LYS 47 -1.294 -18.781 -35.673 390 HA LYS 47 HA LYS 47 -1.500 -21.144 -33.922 391 HB2 LYS 47 HB2 LYS 47 0.971 -19.865 -35.105 392 HB3 LYS 47 HB3 LYS 47 0.988 -21.173 -33.930 393 HG2 LYS 47 HG2 LYS 47 -0.534 -21.534 -36.462 394 HG3 LYS 47 HG3 LYS 47 1.227 -21.656 -36.489 395 HD2 LYS 47 HD2 LYS 47 -0.499 -23.199 -34.563 396 HD3 LYS 47 HD3 LYS 47 -0.029 -23.823 -36.146 397 HE2 LYS 47 HE2 LYS 47 2.156 -24.094 -35.541 398 HE3 LYS 47 HE3 LYS 47 2.113 -22.768 -34.380 399 HZ1 LYS 47 HZ1 LYS 47 1.853 -25.504 -33.882 400 HZ2 LYS 47 HZ2 LYS 47 0.373 -24.778 -33.498 401 HZ3 LYS 47 HZ3 LYS 47 1.798 -24.231 -32.769 402 H ALA 48 H ALA 48 -0.594 -20.963 -31.803 403 HA ALA 48 HA ALA 48 -0.607 -18.195 -30.804 404 HB1 ALA 48 HB1 ALA 48 -1.521 -20.780 -29.641 405 HB2 ALA 48 HB2 ALA 48 -0.966 -19.505 -28.556 406 HB3 ALA 48 HB3 ALA 48 -2.313 -19.204 -29.653 407 HA PRO 49 HA PRO 49 -0.302 -17.553 -28.495 408 HB2 PRO 49 HB2 PRO 49 1.318 -15.448 -27.930 409 HB3 PRO 49 HB3 PRO 49 1.170 -16.858 -26.874 410 HG2 PRO 49 HG2 PRO 49 3.289 -16.214 -28.888 411 HG3 PRO 49 HG3 PRO 49 3.465 -16.872 -27.251 412 HD2 PRO 49 HD2 PRO 49 3.583 -18.426 -29.466 413 HD3 PRO 49 HD3 PRO 49 2.939 -19.015 -27.920 414 HA PRO 50 HA PRO 50 -1.209 -15.000 -31.961 415 HB2 PRO 50 HB2 PRO 50 -2.526 -12.942 -30.778 416 HB3 PRO 50 HB3 PRO 50 -3.228 -14.554 -30.958 417 HG2 PRO 50 HG2 PRO 50 -1.916 -13.316 -28.569 418 HG3 PRO 50 HG3 PRO 50 -3.391 -14.297 -28.653 419 HD2 PRO 50 HD2 PRO 50 -1.004 -15.316 -27.880 420 HD3 PRO 50 HD3 PRO 50 -2.217 -16.278 -28.749 421 H LYS 51 H LYS 51 -0.508 -13.200 -33.093 422 HA LYS 51 HA LYS 51 1.363 -11.410 -31.688 423 HB2 LYS 51 HB2 LYS 51 2.626 -11.361 -33.916 424 HB3 LYS 51 HB3 LYS 51 2.797 -12.802 -32.922 425 HG2 LYS 51 HG2 LYS 51 0.613 -12.890 -34.885 426 HG3 LYS 51 HG3 LYS 51 2.242 -12.829 -35.561 427 HD2 LYS 51 HD2 LYS 51 2.658 -14.689 -33.706 428 HD3 LYS 51 HD3 LYS 51 0.927 -14.943 -33.942 429 HE2 LYS 51 HE2 LYS 51 2.205 -14.668 -36.487 430 HE3 LYS 51 HE3 LYS 51 3.062 -15.877 -35.533 431 HZ1 LYS 51 HZ1 LYS 51 0.185 -16.097 -35.437 432 HZ2 LYS 51 HZ2 LYS 51 1.356 -17.297 -35.660 433 HZ3 LYS 51 HZ3 LYS 51 0.848 -16.359 -36.972 434 H PHE 52 H PHE 52 1.899 -9.472 -33.238 435 HA PHE 52 HA PHE 52 -0.418 -8.628 -34.787 436 HD1 PHE 52 HD1 PHE 52 0.647 -8.585 -30.820 437 HD2 PHE 52 HD2 PHE 52 -2.866 -7.664 -33.040 438 HE1 PHE 52 HE1 PHE 52 -0.721 -9.721 -29.120 439 HE2 PHE 52 HE2 PHE 52 -4.240 -8.798 -31.342 440 HZ PHE 52 HZ PHE 52 -3.168 -9.829 -29.380 441 HB2 PHE 52 HB2 PHE 52 0.637 -6.866 -32.575 442 HB3 PHE 52 HB3 PHE 52 -0.797 -6.612 -33.565 443 H TYR 53 H TYR 53 0.036 -7.077 -36.331 444 HA TYR 53 HA TYR 53 2.835 -6.793 -36.994 445 HD1 TYR 53 HD1 TYR 53 3.503 -4.824 -39.108 446 HD2 TYR 53 HD2 TYR 53 1.464 -8.426 -40.092 447 HE1 TYR 53 HE1 TYR 53 5.196 -5.307 -40.826 448 HE2 TYR 53 HE2 TYR 53 3.152 -8.919 -41.811 449 HH TYR 53 HH TYR 53 4.845 -7.271 -43.254 450 HB2 TYR 53 HB2 TYR 53 0.551 -7.038 -38.498 451 HB3 TYR 53 HB3 TYR 53 0.901 -5.319 -38.639 452 H VAL 54 H VAL 54 4.041 -5.181 -36.273 453 HA VAL 54 HA VAL 54 2.773 -2.746 -35.282 454 HB VAL 54 HB VAL 54 5.068 -2.189 -34.451 455 HG11 VAL 54 HG11 VAL 54 4.140 -4.898 -33.521 456 HG12 VAL 54 HG12 VAL 54 4.966 -3.652 -32.583 457 HG13 VAL 54 HG13 VAL 54 3.306 -3.397 -33.120 458 HG21 VAL 54 HG21 VAL 54 6.293 -3.533 -36.134 459 HG22 VAL 54 HG22 VAL 54 6.794 -3.873 -34.477 460 HG23 VAL 54 HG23 VAL 54 5.734 -4.998 -35.327 461 H HIS 55 H HIS 55 2.992 -0.772 -36.191 462 HA HIS 55 HA HIS 55 4.883 -0.420 -38.398 463 HD1 HIS 55 HD1 HIS 55 5.056 0.454 -40.705 464 HD2 HIS 55 HD2 HIS 55 1.302 2.169 -40.226 465 HE1 HIS 55 HE1 HIS 55 4.959 2.335 -42.371 466 HB2 HIS 55 HB2 HIS 55 2.823 -1.043 -39.506 467 HB3 HIS 55 HB3 HIS 55 1.915 0.138 -38.565 468 H TYR 56 H TYR 56 5.481 1.738 -38.799 469 HA TYR 56 HA TYR 56 4.971 3.521 -36.529 470 HD1 TYR 56 HD1 TYR 56 6.039 6.305 -37.204 471 HD2 TYR 56 HD2 TYR 56 8.627 3.287 -35.688 472 HE1 TYR 56 HE1 TYR 56 6.829 7.861 -35.472 473 HE2 TYR 56 HE2 TYR 56 9.424 4.835 -33.951 474 HH TYR 56 HH TYR 56 7.871 7.622 -33.120 475 HB2 TYR 56 HB2 TYR 56 7.335 2.807 -37.527 476 HB3 TYR 56 HB3 TYR 56 7.016 4.166 -38.599 477 H VAL 57 H VAL 57 3.745 5.272 -36.737 478 HA VAL 57 HA VAL 57 2.196 5.858 -38.942 479 HB VAL 57 HB VAL 57 1.969 8.177 -37.926 480 HG11 VAL 57 HG11 VAL 57 0.359 7.368 -36.580 481 HG12 VAL 57 HG12 VAL 57 0.829 5.810 -37.263 482 HG13 VAL 57 HG13 VAL 57 1.474 6.321 -35.703 483 HG21 VAL 57 HG21 VAL 57 3.164 7.364 -35.410 484 HG22 VAL 57 HG22 VAL 57 4.357 7.508 -36.700 485 HG23 VAL 57 HG23 VAL 57 3.324 8.879 -36.299 486 H ASN 58 H ASN 58 2.971 6.245 -40.922 487 HA ASN 58 HA ASN 58 4.126 7.177 -42.647 488 HB2 ASN 58 HB2 ASN 58 2.996 9.209 -41.532 489 HB3 ASN 58 HB3 ASN 58 4.594 9.578 -40.891 490 HD21 ASN 58 HD21 ASN 58 4.305 11.556 -42.130 491 HD22 ASN 58 HD22 ASN 58 4.726 11.561 -43.806 492 H TYR 59 H TYR 59 5.639 5.466 -41.121 493 HA TYR 59 HA TYR 59 8.279 6.307 -41.777 494 HD1 TYR 59 HD1 TYR 59 10.542 6.997 -40.886 495 HD2 TYR 59 HD2 TYR 59 7.396 8.911 -38.755 496 HE1 TYR 59 HE1 TYR 59 11.690 9.157 -41.144 497 HE2 TYR 59 HE2 TYR 59 8.534 11.077 -39.008 498 HH TYR 59 HH TYR 59 11.703 11.314 -40.584 499 HB2 TYR 59 HB2 TYR 59 7.333 6.622 -39.001 500 HB3 TYR 59 HB3 TYR 59 8.873 5.787 -39.173 501 H ASN 60 H ASN 60 9.897 4.632 -40.656 502 HA ASN 60 HA ASN 60 10.618 2.475 -40.633 503 HB2 ASN 60 HB2 ASN 60 7.862 2.235 -39.469 504 HB3 ASN 60 HB3 ASN 60 8.819 0.788 -39.771 505 HD21 ASN 60 HD21 ASN 60 9.770 4.009 -38.659 506 HD22 ASN 60 HD22 ASN 60 10.464 3.480 -37.168 507 H LYS 61 H LYS 61 10.223 3.189 -43.109 508 HA LYS 61 HA LYS 61 8.287 1.946 -44.659 509 HB2 LYS 61 HB2 LYS 61 9.953 2.114 -46.521 510 HB3 LYS 61 HB3 LYS 61 9.705 3.613 -45.634 511 HG2 LYS 61 HG2 LYS 61 11.763 2.963 -44.283 512 HG3 LYS 61 HG3 LYS 61 12.054 1.751 -45.533 513 HD2 LYS 61 HD2 LYS 61 11.720 4.702 -46.062 514 HD3 LYS 61 HD3 LYS 61 13.278 3.888 -45.897 515 HE2 LYS 61 HE2 LYS 61 12.755 2.469 -47.803 516 HE3 LYS 61 HE3 LYS 61 11.167 3.220 -47.948 517 HZ1 LYS 61 HZ1 LYS 61 12.628 4.203 -49.538 518 HZ2 LYS 61 HZ2 LYS 61 13.799 4.528 -48.360 519 HZ3 LYS 61 HZ3 LYS 61 12.325 5.356 -48.337 520 H ARG 62 H ARG 62 11.469 0.729 -43.663 521 HA ARG 62 HA ARG 62 10.720 -1.921 -44.690 522 HE ARG 62 HE ARG 62 14.438 1.195 -45.283 523 HB2 ARG 62 HB2 ARG 62 13.095 -2.465 -44.617 524 HB3 ARG 62 HB3 ARG 62 12.829 -1.001 -45.555 525 HG2 ARG 62 HG2 ARG 62 13.429 0.302 -43.489 526 HG3 ARG 62 HG3 ARG 62 13.933 -1.229 -42.770 527 HD2 ARG 62 HD2 ARG 62 15.926 -0.510 -43.636 528 HD3 ARG 62 HD3 ARG 62 15.310 -1.446 -44.998 529 HH11 ARG 62 HH11 ARG 62 17.399 -0.636 -45.337 530 HH12 ARG 62 HH12 ARG 62 18.199 0.443 -46.432 531 HH21 ARG 62 HH21 ARG 62 15.480 2.622 -46.725 532 HH22 ARG 62 HH22 ARG 62 17.106 2.296 -47.220 533 H LEU 63 H LEU 63 11.516 -0.132 -41.822 534 HA LEU 63 HA LEU 63 12.103 -2.283 -40.101 535 HG LEU 63 HG LEU 63 13.493 0.289 -40.177 536 HB2 LEU 63 HB2 LEU 63 11.087 0.502 -39.651 537 HB3 LEU 63 HB3 LEU 63 11.303 -0.624 -38.312 538 HD11 LEU 63 HD11 LEU 63 13.757 2.082 -38.904 539 HD12 LEU 63 HD12 LEU 63 13.826 1.085 -37.451 540 HD13 LEU 63 HD13 LEU 63 12.271 1.664 -38.049 541 HD21 LEU 63 HD21 LEU 63 14.802 -0.664 -38.096 542 HD22 LEU 63 HD22 LEU 63 14.282 -1.715 -39.414 543 HD23 LEU 63 HD23 LEU 63 13.345 -1.644 -37.921 544 H ASP 64 H ASP 64 9.126 -1.040 -41.350 545 HA ASP 64 HA ASP 64 7.275 -1.842 -39.467 546 HB2 ASP 64 HB2 ASP 64 6.557 -0.590 -41.381 547 HB3 ASP 64 HB3 ASP 64 7.098 -1.855 -42.482 548 H GLU 65 H GLU 65 7.305 -3.746 -38.449 549 HA GLU 65 HA GLU 65 7.122 -6.172 -40.078 550 HB2 GLU 65 HB2 GLU 65 8.734 -7.363 -38.774 551 HB3 GLU 65 HB3 GLU 65 9.491 -5.871 -39.314 552 HG2 GLU 65 HG2 GLU 65 8.889 -4.895 -37.069 553 HG3 GLU 65 HG3 GLU 65 8.457 -6.531 -36.573 554 H TRP 66 H TRP 66 6.969 -8.058 -38.137 555 HA TRP 66 HA TRP 66 4.718 -7.164 -36.458 556 HD1 TRP 66 HD1 TRP 66 6.183 -9.298 -39.763 557 HE1 TRP 66 HE1 TRP 66 7.110 -11.675 -40.101 558 HE3 TRP 66 HE3 TRP 66 3.928 -11.621 -35.806 559 HZ2 TRP 66 HZ2 TRP 66 6.912 -14.201 -38.856 560 HZ3 TRP 66 HZ3 TRP 66 4.348 -14.019 -35.450 561 HH2 TRP 66 HH2 TRP 66 5.810 -15.280 -36.945 562 HB2 TRP 66 HB2 TRP 66 3.716 -9.400 -36.768 563 HB3 TRP 66 HB3 TRP 66 3.889 -8.537 -38.294 564 H ILE 67 H ILE 67 4.541 -8.048 -34.396 565 HA ILE 67 HA ILE 67 6.741 -9.775 -33.501 566 HB ILE 67 HB ILE 67 6.796 -8.418 -31.362 567 HG12 ILE 67 HG12 ILE 67 5.438 -6.366 -33.123 568 HG13 ILE 67 HG13 ILE 67 4.685 -7.189 -31.762 569 HG21 ILE 67 HG21 ILE 67 8.087 -8.026 -33.857 570 HG22 ILE 67 HG22 ILE 67 7.852 -6.447 -33.108 571 HG23 ILE 67 HG23 ILE 67 8.710 -7.718 -32.237 572 HD11 ILE 67 HD11 ILE 67 5.375 -4.970 -31.126 573 HD12 ILE 67 HD12 ILE 67 6.336 -6.170 -30.261 574 HD13 ILE 67 HD13 ILE 67 7.029 -5.309 -31.636 575 H THR 68 H THR 68 6.306 -10.598 -31.222 576 HA THR 68 HA THR 68 3.503 -11.448 -31.096 577 HB THR 68 HB THR 68 4.226 -13.303 -29.751 578 HG1 THR 68 HG1 THR 68 6.189 -13.401 -28.826 579 HG21 THR 68 HG21 THR 68 4.580 -13.432 -32.217 580 HG22 THR 68 HG22 THR 68 5.663 -14.467 -31.288 581 HG23 THR 68 HG23 THR 68 6.255 -12.946 -31.957 582 H THR 69 H THR 69 3.163 -12.178 -28.540 583 HA THR 69 HA THR 69 2.658 -9.723 -27.224 584 HB THR 69 HB THR 69 1.311 -11.813 -26.913 585 HG1 THR 69 HG1 THR 69 0.709 -10.668 -25.245 586 HG21 THR 69 HG21 THR 69 3.260 -12.708 -24.846 587 HG22 THR 69 HG22 THR 69 3.567 -13.135 -26.528 588 HG23 THR 69 HG23 THR 69 2.067 -13.640 -25.750 589 H ASP 70 H ASP 70 5.332 -11.916 -27.194 590 HA ASP 70 HA ASP 70 6.487 -11.464 -24.727 591 HB2 ASP 70 HB2 ASP 70 7.279 -13.020 -26.588 592 HB3 ASP 70 HB3 ASP 70 8.085 -11.616 -27.282 593 H ARG 71 H ARG 71 6.356 -9.370 -27.521 594 HA ARG 71 HA ARG 71 8.031 -7.394 -26.130 595 HE ARG 71 HE ARG 71 9.649 -8.750 -26.121 596 HB2 ARG 71 HB2 ARG 71 7.194 -7.505 -29.034 597 HB3 ARG 71 HB3 ARG 71 8.242 -6.289 -28.317 598 HG2 ARG 71 HG2 ARG 71 8.922 -9.209 -28.242 599 HG3 ARG 71 HG3 ARG 71 9.346 -8.179 -29.610 600 HD2 ARG 71 HD2 ARG 71 11.252 -8.072 -28.306 601 HD3 ARG 71 HD3 ARG 71 10.372 -6.630 -27.802 602 HH11 ARG 71 HH11 ARG 71 12.408 -6.759 -26.858 603 HH12 ARG 71 HH12 ARG 71 13.089 -6.887 -25.270 604 HH21 ARG 71 HH21 ARG 71 10.536 -8.926 -24.027 605 HH22 ARG 71 HH22 ARG 71 12.024 -8.121 -23.661 606 H ILE 72 H ILE 72 4.829 -8.083 -27.177 607 HA ILE 72 HA ILE 72 3.982 -5.306 -26.774 608 HB ILE 72 HB ILE 72 2.426 -7.665 -27.838 609 HG12 ILE 72 HG12 ILE 72 3.383 -5.219 -29.328 610 HG13 ILE 72 HG13 ILE 72 4.294 -6.725 -29.276 611 HG21 ILE 72 HG21 ILE 72 1.541 -5.180 -26.772 612 HG22 ILE 72 HG22 ILE 72 1.232 -5.190 -28.507 613 HG23 ILE 72 HG23 ILE 72 0.586 -6.477 -27.489 614 HD11 ILE 72 HD11 ILE 72 1.472 -6.512 -30.287 615 HD12 ILE 72 HD12 ILE 72 2.902 -6.409 -31.314 616 HD13 ILE 72 HD13 ILE 72 2.563 -7.891 -30.419 617 H ASN 73 H ASN 73 3.329 -4.738 -24.816 618 HA ASN 73 HA ASN 73 1.871 -6.711 -23.188 619 HB2 ASN 73 HB2 ASN 73 4.224 -6.345 -22.384 620 HB3 ASN 73 HB3 ASN 73 3.802 -4.661 -22.087 621 HD21 ASN 73 HD21 ASN 73 2.673 -4.128 -20.295 622 HD22 ASN 73 HD22 ASN 73 2.197 -5.259 -19.080 623 H LEU 74 H LEU 74 -0.129 -6.049 -22.811 624 HA LEU 74 HA LEU 74 -1.012 -3.408 -23.355 625 HG LEU 74 HG LEU 74 -3.032 -4.094 -24.523 626 HB2 LEU 74 HB2 LEU 74 -2.243 -5.873 -22.222 627 HB3 LEU 74 HB3 LEU 74 -3.092 -4.339 -22.039 628 HD11 LEU 74 HD11 LEU 74 -2.735 -6.725 -25.354 629 HD12 LEU 74 HD12 LEU 74 -1.378 -6.449 -24.262 630 HD13 LEU 74 HD13 LEU 74 -1.622 -5.389 -25.650 631 HD21 LEU 74 HD21 LEU 74 -5.055 -5.031 -24.584 632 HD22 LEU 74 HD22 LEU 74 -4.749 -5.534 -22.921 633 HD23 LEU 74 HD23 LEU 74 -4.412 -6.640 -24.252 634 H ASP 75 H ASP 75 -2.299 -2.128 -21.724 635 HA ASP 75 HA ASP 75 -1.008 -2.200 -19.078 636 HB2 ASP 75 HB2 ASP 75 -0.237 -0.343 -20.710 637 HB3 ASP 75 HB3 ASP 75 -1.813 0.379 -20.399 638 H LYS 76 H LYS 76 -3.562 -3.298 -19.951 639 HA LYS 76 HA LYS 76 -5.404 -1.604 -18.394 640 HB2 LYS 76 HB2 LYS 76 -5.935 -3.540 -20.647 641 HB3 LYS 76 HB3 LYS 76 -7.211 -2.911 -19.613 642 HG2 LYS 76 HG2 LYS 76 -5.378 -1.003 -20.982 643 HG3 LYS 76 HG3 LYS 76 -6.671 -1.779 -21.900 644 HD2 LYS 76 HD2 LYS 76 -7.791 0.072 -21.171 645 HD3 LYS 76 HD3 LYS 76 -8.111 -1.008 -19.813 646 HE2 LYS 76 HE2 LYS 76 -6.644 0.087 -18.423 647 HE3 LYS 76 HE3 LYS 76 -5.663 0.690 -19.757 648 HZ1 LYS 76 HZ1 LYS 76 -7.415 2.174 -18.386 649 HZ2 LYS 76 HZ2 LYS 76 -8.377 1.687 -19.690 650 HZ3 LYS 76 HZ3 LYS 76 -6.927 2.511 -19.970 651 H GLU 77 H GLU 77 -7.340 -3.169 -17.625 652 HA GLU 77 HA GLU 77 -6.015 -5.248 -16.024 653 HB2 GLU 77 HB2 GLU 77 -7.722 -4.954 -14.380 654 HB3 GLU 77 HB3 GLU 77 -7.150 -3.354 -14.832 655 HG2 GLU 77 HG2 GLU 77 -9.089 -3.037 -16.255 656 HG3 GLU 77 HG3 GLU 77 -9.655 -4.661 -15.868 657 H VAL 78 H VAL 78 -6.767 -7.323 -15.977 658 HA VAL 78 HA VAL 78 -8.922 -7.969 -17.883 659 HB VAL 78 HB VAL 78 -6.692 -9.830 -17.071 660 HG11 VAL 78 HG11 VAL 78 -8.749 -9.880 -19.273 661 HG12 VAL 78 HG12 VAL 78 -7.377 -10.986 -19.179 662 HG13 VAL 78 HG13 VAL 78 -8.604 -10.992 -17.912 663 HG21 VAL 78 HG21 VAL 78 -5.729 -9.312 -19.323 664 HG22 VAL 78 HG22 VAL 78 -6.853 -7.956 -19.425 665 HG23 VAL 78 HG23 VAL 78 -5.625 -7.990 -18.160 666 H LEU 79 H LEU 79 -10.311 -9.733 -17.364 667 HA LEU 79 HA LEU 79 -10.338 -10.489 -14.521 668 HG LEU 79 HG LEU 79 -11.300 -7.988 -14.425 669 HB2 LEU 79 HB2 LEU 79 -12.542 -9.372 -16.202 670 HB3 LEU 79 HB3 LEU 79 -12.920 -10.474 -14.880 671 HD11 LEU 79 HD11 LEU 79 -13.545 -7.038 -13.633 672 HD12 LEU 79 HD12 LEU 79 -14.276 -8.269 -14.661 673 HD13 LEU 79 HD13 LEU 79 -13.216 -7.049 -15.366 674 HD21 LEU 79 HD21 LEU 79 -11.906 -10.122 -12.818 675 HD22 LEU 79 HD22 LEU 79 -13.160 -8.957 -12.393 676 HD23 LEU 79 HD23 LEU 79 -11.459 -8.510 -12.256 677 H TYR 80 H TYR 80 -9.619 -12.554 -14.788 678 HA TYR 80 HA TYR 80 -11.232 -14.301 -16.529 679 HD1 TYR 80 HD1 TYR 80 -7.797 -15.032 -14.070 680 HD2 TYR 80 HD2 TYR 80 -7.748 -12.773 -17.675 681 HE1 TYR 80 HE1 TYR 80 -5.803 -13.828 -13.281 682 HE2 TYR 80 HE2 TYR 80 -5.753 -11.564 -16.896 683 HH TYR 80 HH TYR 80 -4.765 -11.435 -13.822 684 HB2 TYR 80 HB2 TYR 80 -9.014 -15.773 -16.161 685 HB3 TYR 80 HB3 TYR 80 -9.191 -14.625 -17.484 686 HA PRO 81 HA PRO 81 -12.157 -15.658 -12.242 687 HB2 PRO 81 HB2 PRO 81 -14.704 -16.407 -12.811 688 HB3 PRO 81 HB3 PRO 81 -14.257 -14.743 -12.416 689 HG2 PRO 81 HG2 PRO 81 -14.724 -15.994 -15.095 690 HG3 PRO 81 HG3 PRO 81 -15.254 -14.413 -14.491 691 HD2 PRO 81 HD2 PRO 81 -13.106 -14.707 -16.114 692 HD3 PRO 81 HD3 PRO 81 -13.202 -13.437 -14.877 693 H LYS 82 H LYS 82 -12.188 -17.721 -11.427 694 HA LYS 82 HA LYS 82 -11.255 -19.825 -13.017 695 HB2 LYS 82 HB2 LYS 82 -11.188 -19.471 -10.432 696 HB3 LYS 82 HB3 LYS 82 -12.726 -20.325 -10.451 697 HG2 LYS 82 HG2 LYS 82 -11.778 -22.312 -11.040 698 HG3 LYS 82 HG3 LYS 82 -10.432 -21.546 -11.887 699 HD2 LYS 82 HD2 LYS 82 -9.471 -22.483 -9.961 700 HD3 LYS 82 HD3 LYS 82 -9.651 -20.768 -9.583 701 HE2 LYS 82 HE2 LYS 82 -11.374 -21.140 -8.099 702 HE3 LYS 82 HE3 LYS 82 -11.845 -22.657 -8.864 703 HZ1 LYS 82 HZ1 LYS 82 -10.821 -23.477 -7.037 704 HZ2 LYS 82 HZ2 LYS 82 -9.791 -22.147 -6.857 705 HZ3 LYS 82 HZ3 LYS 82 -9.448 -23.331 -8.015 706 H LEU 83 H LEU 83 -12.398 -20.627 -14.668 707 HA LEU 83 HA LEU 83 -15.273 -20.907 -14.514 708 HG LEU 83 HG LEU 83 -14.110 -19.095 -16.431 709 HB2 LEU 83 HB2 LEU 83 -13.216 -21.401 -16.635 710 HB3 LEU 83 HB3 LEU 83 -14.867 -21.989 -16.823 711 HD11 LEU 83 HD11 LEU 83 -15.229 -20.008 -18.992 712 HD12 LEU 83 HD12 LEU 83 -13.576 -20.523 -18.658 713 HD13 LEU 83 HD13 LEU 83 -13.982 -18.806 -18.657 714 HD21 LEU 83 HD21 LEU 83 -16.677 -20.570 -16.732 715 HD22 LEU 83 HD22 LEU 83 -16.529 -18.971 -17.463 716 HD23 LEU 83 HD23 LEU 83 -16.286 -19.173 -15.728 717 H LYS 84 H LYS 84 -16.161 -23.065 -15.456 718 HA LYS 84 HA LYS 84 -15.631 -25.092 -13.577 719 HB2 LYS 84 HB2 LYS 84 -17.798 -24.838 -14.711 720 HB3 LYS 84 HB3 LYS 84 -17.053 -25.288 -16.239 721 HG2 LYS 84 HG2 LYS 84 -16.481 -27.493 -15.236 722 HG3 LYS 84 HG3 LYS 84 -17.409 -27.027 -13.809 723 HD2 LYS 84 HD2 LYS 84 -19.372 -26.658 -15.342 724 HD3 LYS 84 HD3 LYS 84 -18.416 -27.405 -16.624 725 HE2 LYS 84 HE2 LYS 84 -19.627 -29.199 -15.818 726 HE3 LYS 84 HE3 LYS 84 -18.119 -29.339 -14.915 727 HZ1 LYS 84 HZ1 LYS 84 -19.552 -29.493 -13.197 728 HZ2 LYS 84 HZ2 LYS 84 -20.785 -28.638 -13.980 729 HZ3 LYS 84 HZ3 LYS 84 -19.499 -27.804 -13.265 730 H ALA 85 H ALA 85 -14.595 -27.075 -13.759 731 HA ALA 85 HA ALA 85 -12.543 -27.186 -15.854 732 HB1 ALA 85 HB1 ALA 85 -11.752 -29.095 -14.166 733 HB2 ALA 85 HB2 ALA 85 -11.345 -27.394 -13.941 734 HB3 ALA 85 HB3 ALA 85 -12.687 -28.106 -13.045 735 H THR 86 H THR 86 -11.959 -29.347 -16.689 736 HA THR 86 HA THR 86 -14.390 -30.885 -17.250 737 HB THR 86 HB THR 86 -13.136 -30.046 -19.196 738 HG1 THR 86 HG1 THR 86 -14.243 -31.944 -19.562 739 HG21 THR 86 HG21 THR 86 -10.888 -30.691 -17.747 740 HG22 THR 86 HG22 THR 86 -10.919 -30.263 -19.457 741 HG23 THR 86 HG23 THR 86 -10.942 -31.959 -18.971 742 H ASP 87 H ASP 87 -14.400 -33.168 -17.158 743 HA ASP 87 HA ASP 87 -12.996 -34.248 -14.928 744 HB2 ASP 87 HB2 ASP 87 -14.887 -35.382 -16.969 745 HB3 ASP 87 HB3 ASP 87 -14.060 -36.440 -15.830 746 H GLU 88 H GLU 88 -11.654 -36.187 -14.978 747 HA GLU 88 HA GLU 88 -9.779 -36.082 -17.226 748 HB2 GLU 88 HB2 GLU 88 -9.569 -36.952 -14.370 749 HB3 GLU 88 HB3 GLU 88 -8.434 -37.589 -15.551 750 HG2 GLU 88 HG2 GLU 88 -7.461 -35.691 -14.465 751 HG3 GLU 88 HG3 GLU 88 -7.804 -35.281 -16.145 752 H ASP 89 H ASP 89 -8.627 -38.351 -17.503 753 HA ASP 89 HA ASP 89 -10.783 -40.244 -18.121 754 HB2 ASP 89 HB2 ASP 89 -9.434 -39.550 -20.030 755 HB3 ASP 89 HB3 ASP 89 -7.963 -40.050 -19.200 Start of MODEL 8 1 HA MET -4 HA MET -4 24.048 -28.683 2.950 2 H1 MET -4 H1 MET -4 26.397 -28.566 4.686 3 HB2 MET -4 HB2 MET -4 23.394 -28.497 5.427 4 HB3 MET -4 HB3 MET -4 24.059 -26.871 5.355 5 HG2 MET -4 HG2 MET -4 21.874 -26.426 4.920 6 HG3 MET -4 HG3 MET -4 22.470 -26.660 3.279 7 HE1 MET -4 HE1 MET -4 19.213 -28.366 2.495 8 HE2 MET -4 HE2 MET -4 19.355 -26.895 3.457 9 HE3 MET -4 HE3 MET -4 20.433 -27.160 2.086 10 H GLY -3 H GLY -3 23.836 -26.948 1.565 11 HA2 GLY -3 HA2 GLY -3 25.857 -24.813 1.807 12 HA3 GLY -3 HA3 GLY -3 25.637 -25.668 0.287 13 H SER -2 H SER -2 23.814 -25.263 -0.972 14 HA SER -2 HA SER -2 21.799 -23.406 -0.070 15 HG SER -2 HG SER -2 24.112 -21.038 -0.495 16 HB2 SER -2 HB2 SER -2 23.329 -22.520 -2.494 17 HB3 SER -2 HB3 SER -2 22.305 -21.573 -1.415 18 H SER -1 H SER -1 20.539 -22.692 -2.267 19 HA SER -1 HA SER -1 20.422 -24.715 -4.284 20 HG SER -1 HG SER -1 18.761 -24.307 -1.200 21 HB2 SER -1 HB2 SER -1 18.050 -25.407 -3.719 22 HB3 SER -1 HB3 SER -1 19.295 -26.028 -2.635 23 H HIS 0 H HIS 0 19.495 -23.927 -6.088 24 HA HIS 0 HA HIS 0 17.981 -21.410 -5.845 25 HD1 HIS 0 HD1 HIS 0 21.521 -23.351 -7.448 26 HD2 HIS 0 HD2 HIS 0 18.699 -22.189 -10.267 27 HE1 HIS 0 HE1 HIS 0 22.020 -24.715 -9.501 28 HB2 HIS 0 HB2 HIS 0 18.924 -20.685 -7.948 29 HB3 HIS 0 HB3 HIS 0 20.238 -21.147 -6.870 30 H HIS 1 H HIS 1 16.315 -21.036 -7.404 31 HA HIS 1 HA HIS 1 15.251 -23.519 -8.583 32 HD1 HIS 1 HD1 HIS 1 13.128 -24.924 -7.884 33 HD2 HIS 1 HD2 HIS 1 13.734 -22.358 -4.673 34 HE1 HIS 1 HE1 HIS 1 12.724 -26.314 -5.828 35 HB2 HIS 1 HB2 HIS 1 13.898 -21.270 -7.138 36 HB3 HIS 1 HB3 HIS 1 13.004 -22.183 -8.351 37 H HIS 2 H HIS 2 16.753 -22.662 -10.360 38 HA HIS 2 HA HIS 2 15.399 -20.626 -11.989 39 HD1 HIS 2 HD1 HIS 2 16.367 -18.569 -13.291 40 HD2 HIS 2 HD2 HIS 2 18.966 -21.434 -14.808 41 HE1 HIS 2 HE1 HIS 2 16.891 -17.827 -15.635 42 HB2 HIS 2 HB2 HIS 2 17.774 -20.206 -11.492 43 HB3 HIS 2 HB3 HIS 2 18.200 -21.742 -12.241 44 H HIS 3 H HIS 3 14.127 -21.338 -13.556 45 HA HIS 3 HA HIS 3 14.697 -23.969 -14.751 46 HD1 HIS 3 HD1 HIS 3 13.732 -25.434 -12.956 47 HD2 HIS 3 HD2 HIS 3 10.762 -22.586 -12.381 48 HE1 HIS 3 HE1 HIS 3 12.880 -25.813 -10.621 49 HB2 HIS 3 HB2 HIS 3 12.046 -22.519 -14.746 50 HB3 HIS 3 HB3 HIS 3 12.350 -24.186 -15.229 51 H HIS 4 H HIS 4 13.923 -24.176 -17.055 52 HA HIS 4 HA HIS 4 13.602 -21.916 -18.706 53 HD1 HIS 4 HD1 HIS 4 16.480 -24.749 -19.901 54 HD2 HIS 4 HD2 HIS 4 17.752 -22.480 -16.661 55 HE1 HIS 4 HE1 HIS 4 18.331 -26.077 -18.835 56 HB2 HIS 4 HB2 HIS 4 15.833 -22.071 -19.883 57 HB3 HIS 4 HB3 HIS 4 15.882 -21.365 -18.270 58 H HIS 5 H HIS 5 12.987 -22.499 -20.744 59 HA HIS 5 HA HIS 5 13.553 -25.166 -21.738 60 HD1 HIS 5 HD1 HIS 5 11.597 -25.084 -18.511 61 HD2 HIS 5 HD2 HIS 5 11.630 -27.997 -21.473 62 HE1 HIS 5 HE1 HIS 5 11.783 -27.277 -17.295 63 HB2 HIS 5 HB2 HIS 5 10.824 -24.264 -20.880 64 HB3 HIS 5 HB3 HIS 5 10.996 -25.405 -22.210 65 H SER 6 H SER 6 13.444 -25.321 -23.947 66 HA SER 6 HA SER 6 12.715 -22.848 -25.375 67 HG SER 6 HG SER 6 15.536 -23.177 -24.563 68 HB2 SER 6 HB2 SER 6 14.920 -24.840 -25.912 69 HB3 SER 6 HB3 SER 6 14.396 -23.657 -27.111 70 H SER 7 H SER 7 10.596 -23.470 -25.803 71 HA SER 7 HA SER 7 10.290 -25.223 -28.071 72 HG SER 7 HG SER 7 10.151 -27.399 -27.710 73 HB2 SER 7 HB2 SER 7 9.405 -26.024 -25.343 74 HB3 SER 7 HB3 SER 7 8.310 -26.367 -26.682 75 H GLY 8 H GLY 8 7.776 -25.413 -28.534 76 HA2 GLY 8 HA2 GLY 8 6.854 -22.682 -28.730 77 HA3 GLY 8 HA3 GLY 8 6.090 -24.097 -29.438 78 H LEU 9 H LEU 9 6.643 -22.499 -26.313 79 HA LEU 9 HA LEU 9 4.012 -23.507 -25.448 80 HG LEU 9 HG LEU 9 3.877 -22.802 -22.748 81 HB2 LEU 9 HB2 LEU 9 5.977 -24.367 -24.178 82 HB3 LEU 9 HB3 LEU 9 6.327 -22.709 -23.690 83 HD11 LEU 9 HD11 LEU 9 4.193 -25.491 -21.898 84 HD12 LEU 9 HD12 LEU 9 4.238 -25.461 -23.660 85 HD13 LEU 9 HD13 LEU 9 2.862 -24.768 -22.802 86 HD21 LEU 9 HD21 LEU 9 6.124 -24.253 -21.358 87 HD22 LEU 9 HD22 LEU 9 4.762 -23.424 -20.605 88 HD23 LEU 9 HD23 LEU 9 5.987 -22.498 -21.473 89 H VAL 10 H VAL 10 2.528 -22.082 -24.692 90 HA VAL 10 HA VAL 10 2.925 -19.303 -25.272 91 HB VAL 10 HB VAL 10 0.749 -20.317 -25.659 92 HG11 VAL 10 HG11 VAL 10 1.180 -21.571 -23.218 93 HG12 VAL 10 HG12 VAL 10 -0.159 -20.462 -22.917 94 HG13 VAL 10 HG13 VAL 10 -0.277 -21.658 -24.208 95 HG21 VAL 10 HG21 VAL 10 0.745 -17.955 -25.235 96 HG22 VAL 10 HG22 VAL 10 -0.660 -18.664 -24.440 97 HG23 VAL 10 HG23 VAL 10 0.759 -18.220 -23.492 98 HA PRO 11 HA PRO 11 4.462 -18.093 -21.305 99 HB2 PRO 11 HB2 PRO 11 4.128 -15.416 -21.605 100 HB3 PRO 11 HB3 PRO 11 5.423 -16.318 -22.401 101 HG2 PRO 11 HG2 PRO 11 2.794 -15.407 -23.505 102 HG3 PRO 11 HG3 PRO 11 4.400 -15.356 -24.255 103 HD2 PRO 11 HD2 PRO 11 2.575 -17.266 -24.848 104 HD3 PRO 11 HD3 PRO 11 4.323 -17.577 -24.866 105 H ARG 12 H ARG 12 3.710 -16.297 -19.622 106 HA ARG 12 HA ARG 12 0.796 -16.575 -19.280 107 HE ARG 12 HE ARG 12 3.834 -19.165 -17.281 108 HB2 ARG 12 HB2 ARG 12 1.197 -16.701 -16.840 109 HB3 ARG 12 HB3 ARG 12 1.912 -18.048 -17.717 110 HG2 ARG 12 HG2 ARG 12 4.083 -16.730 -17.665 111 HG3 ARG 12 HG3 ARG 12 3.290 -15.688 -16.480 112 HD2 ARG 12 HD2 ARG 12 4.461 -17.280 -15.210 113 HD3 ARG 12 HD3 ARG 12 2.782 -17.816 -15.184 114 HH11 ARG 12 HH11 ARG 12 4.779 -18.792 -13.952 115 HH12 ARG 12 HH12 ARG 12 5.521 -20.354 -13.851 116 HH21 ARG 12 HH21 ARG 12 4.808 -21.224 -17.162 117 HH22 ARG 12 HH22 ARG 12 5.538 -21.737 -15.678 118 H GLY 13 H GLY 13 -0.229 -14.895 -18.001 119 HA2 GLY 13 HA2 GLY 13 1.273 -12.460 -17.513 120 HA3 GLY 13 HA3 GLY 13 0.093 -12.358 -18.812 121 H SER 14 H SER 14 -1.226 -10.876 -17.789 122 HA SER 14 HA SER 14 -2.353 -11.604 -15.190 123 HG SER 14 HG SER 14 -2.514 -8.407 -14.310 124 HB2 SER 14 HB2 SER 14 -1.513 -9.198 -16.083 125 HB3 SER 14 HB3 SER 14 -3.217 -9.104 -16.530 126 H HIS 15 H HIS 15 -3.048 -13.091 -17.586 127 HA HIS 15 HA HIS 15 -4.884 -14.035 -18.542 128 HD1 HIS 15 HD1 HIS 15 -7.012 -14.449 -19.394 129 HD2 HIS 15 HD2 HIS 15 -7.856 -15.352 -15.428 130 HE1 HIS 15 HE1 HIS 15 -8.662 -16.345 -19.473 131 HB2 HIS 15 HB2 HIS 15 -5.633 -13.708 -16.028 132 HB3 HIS 15 HB3 HIS 15 -6.728 -12.525 -16.738 133 H MET 16 H MET 16 -3.974 -12.104 -20.042 134 HA MET 16 HA MET 16 -6.353 -10.562 -20.847 135 HB2 MET 16 HB2 MET 16 -4.786 -8.840 -21.728 136 HB3 MET 16 HB3 MET 16 -4.719 -9.018 -19.980 137 HG2 MET 16 HG2 MET 16 -2.501 -8.946 -20.431 138 HG3 MET 16 HG3 MET 16 -2.765 -10.683 -20.574 139 HE1 MET 16 HE1 MET 16 -0.343 -10.816 -22.223 140 HE2 MET 16 HE2 MET 16 -0.082 -9.430 -23.282 141 HE3 MET 16 HE3 MET 16 -0.343 -9.183 -21.556 142 H SER 17 H SER 17 -6.527 -10.111 -23.140 143 HA SER 17 HA SER 17 -4.944 -11.847 -24.886 144 HG SER 17 HG SER 17 -7.290 -14.004 -25.953 145 HB2 SER 17 HB2 SER 17 -7.260 -12.839 -24.081 146 HB3 SER 17 HB3 SER 17 -7.902 -11.767 -25.326 147 H VAL 18 H VAL 18 -6.137 -11.450 -27.260 148 HA VAL 18 HA VAL 18 -5.519 -8.682 -27.796 149 HB VAL 18 HB VAL 18 -4.812 -10.563 -29.298 150 HG11 VAL 18 HG11 VAL 18 -7.676 -10.540 -30.230 151 HG12 VAL 18 HG12 VAL 18 -6.368 -11.589 -30.782 152 HG13 VAL 18 HG13 VAL 18 -7.010 -11.763 -29.148 153 HG21 VAL 18 HG21 VAL 18 -5.001 -8.126 -29.964 154 HG22 VAL 18 HG22 VAL 18 -5.017 -9.297 -31.282 155 HG23 VAL 18 HG23 VAL 18 -6.523 -8.554 -30.744 156 H ASP 19 H ASP 19 -8.246 -10.233 -26.785 157 HA ASP 19 HA ASP 19 -10.300 -9.241 -28.389 158 HB2 ASP 19 HB2 ASP 19 -10.333 -10.898 -26.356 159 HB3 ASP 19 HB3 ASP 19 -10.648 -9.439 -25.420 160 H ASP 20 H ASP 20 -8.230 -7.623 -26.178 161 HA ASP 20 HA ASP 20 -9.990 -5.282 -26.066 162 HB2 ASP 20 HB2 ASP 20 -7.635 -6.202 -24.464 163 HB3 ASP 20 HB3 ASP 20 -8.018 -4.483 -24.518 164 H ILE 21 H ILE 21 -8.373 -6.237 -28.429 165 HA ILE 21 HA ILE 21 -7.003 -3.682 -28.929 166 HB ILE 21 HB ILE 21 -6.018 -6.407 -29.784 167 HG12 ILE 21 HG12 ILE 21 -4.853 -4.366 -27.876 168 HG13 ILE 21 HG13 ILE 21 -5.561 -5.913 -27.427 169 HG21 ILE 21 HG21 ILE 21 -5.636 -4.755 -31.520 170 HG22 ILE 21 HG22 ILE 21 -4.902 -3.663 -30.347 171 HG23 ILE 21 HG23 ILE 21 -4.113 -5.189 -30.745 172 HD11 ILE 21 HD11 ILE 21 -3.600 -6.545 -29.290 173 HD12 ILE 21 HD12 ILE 21 -2.884 -5.293 -28.275 174 HD13 ILE 21 HD13 ILE 21 -3.524 -6.765 -27.542 175 H ILE 22 H ILE 22 -7.224 -2.826 -30.970 176 HA ILE 22 HA ILE 22 -8.997 -4.294 -32.811 177 HB ILE 22 HB ILE 22 -10.034 -2.221 -33.478 178 HG12 ILE 22 HG12 ILE 22 -8.221 -0.898 -31.447 179 HG13 ILE 22 HG13 ILE 22 -8.095 -0.741 -33.196 180 HG21 ILE 22 HG21 ILE 22 -10.984 -3.402 -31.558 181 HG22 ILE 22 HG22 ILE 22 -9.972 -2.451 -30.472 182 HG23 ILE 22 HG23 ILE 22 -11.227 -1.661 -31.427 183 HD11 ILE 22 HD11 ILE 22 -10.719 -0.028 -32.576 184 HD12 ILE 22 HD12 ILE 22 -9.713 0.730 -31.341 185 HD13 ILE 22 HD13 ILE 22 -9.396 1.039 -33.048 186 H ILE 23 H ILE 23 -8.947 -2.775 -35.002 187 HA ILE 23 HA ILE 23 -6.179 -3.029 -35.888 188 HB ILE 23 HB ILE 23 -8.592 -2.417 -37.589 189 HG12 ILE 23 HG12 ILE 23 -8.924 -4.531 -36.360 190 HG13 ILE 23 HG13 ILE 23 -8.706 -4.807 -38.085 191 HG21 ILE 23 HG21 ILE 23 -5.771 -2.685 -38.094 192 HG22 ILE 23 HG22 ILE 23 -6.685 -3.888 -39.002 193 HG23 ILE 23 HG23 ILE 23 -7.062 -2.175 -39.182 194 HD11 ILE 23 HD11 ILE 23 -7.513 -6.441 -36.705 195 HD12 ILE 23 HD12 ILE 23 -6.421 -5.495 -37.716 196 HD13 ILE 23 HD13 ILE 23 -6.566 -5.133 -35.996 197 H LYS 24 H LYS 24 -5.016 -1.379 -36.862 198 HA LYS 24 HA LYS 24 -4.294 0.745 -37.236 199 HB2 LYS 24 HB2 LYS 24 -7.198 1.564 -37.264 200 HB3 LYS 24 HB3 LYS 24 -5.847 2.374 -38.046 201 HG2 LYS 24 HG2 LYS 24 -5.611 0.127 -39.343 202 HG3 LYS 24 HG3 LYS 24 -7.288 -0.111 -38.847 203 HD2 LYS 24 HD2 LYS 24 -7.423 0.924 -40.951 204 HD3 LYS 24 HD3 LYS 24 -7.718 2.222 -39.791 205 HE2 LYS 24 HE2 LYS 24 -6.218 3.144 -41.334 206 HE3 LYS 24 HE3 LYS 24 -5.213 2.696 -39.957 207 HZ1 LYS 24 HZ1 LYS 24 -4.317 0.905 -41.090 208 HZ2 LYS 24 HZ2 LYS 24 -4.430 2.078 -42.303 209 HZ3 LYS 24 HZ3 LYS 24 -5.576 0.838 -42.218 210 H CYS 25 H CYS 25 -4.647 -0.203 -34.540 211 HA CYS 25 HA CYS 25 -5.357 2.263 -33.109 212 HG CYS 25 HG CYS 25 -5.586 1.151 -29.635 213 HB2 CYS 25 HB2 CYS 25 -6.247 -0.201 -32.579 214 HB3 CYS 25 HB3 CYS 25 -4.763 -0.253 -31.635 215 H GLN 26 H GLN 26 -3.991 2.795 -31.201 216 HA GLN 26 HA GLN 26 -1.186 2.644 -31.970 217 HB2 GLN 26 HB2 GLN 26 -0.846 4.394 -30.281 218 HB3 GLN 26 HB3 GLN 26 -2.100 4.839 -31.431 219 HG2 GLN 26 HG2 GLN 26 -3.590 3.675 -29.507 220 HG3 GLN 26 HG3 GLN 26 -2.270 4.335 -28.543 221 HE21 GLN 26 HE21 GLN 26 -4.953 5.173 -28.396 222 HE22 GLN 26 HE22 GLN 26 -5.028 6.822 -28.906 223 H CYS 27 H CYS 27 0.170 1.241 -31.089 224 HA CYS 27 HA CYS 27 -0.451 0.174 -28.413 225 HG CYS 27 HG CYS 27 -2.146 -1.940 -29.036 226 HB2 CYS 27 HB2 CYS 27 -0.162 -1.230 -30.886 227 HB3 CYS 27 HB3 CYS 27 1.174 -1.679 -29.832 228 H TRP 28 H TRP 28 1.107 0.348 -26.928 229 HA TRP 28 HA TRP 28 3.590 1.636 -27.664 230 HD1 TRP 28 HD1 TRP 28 0.638 3.134 -25.622 231 HE1 TRP 28 HE1 TRP 28 1.102 5.666 -25.616 232 HE3 TRP 28 HE3 TRP 28 5.749 3.023 -25.591 233 HZ2 TRP 28 HZ2 TRP 28 3.338 7.388 -25.601 234 HZ3 TRP 28 HZ3 TRP 28 6.975 5.157 -25.582 235 HH2 TRP 28 HH2 TRP 28 5.793 7.293 -25.587 236 HB2 TRP 28 HB2 TRP 28 2.170 1.028 -25.113 237 HB3 TRP 28 HB3 TRP 28 3.912 1.279 -25.049 238 H VAL 29 H VAL 29 5.562 0.724 -27.770 239 HA VAL 29 HA VAL 29 5.717 -2.179 -27.383 240 HB VAL 29 HB VAL 29 7.718 -0.393 -28.768 241 HG11 VAL 29 HG11 VAL 29 8.853 -2.342 -28.279 242 HG12 VAL 29 HG12 VAL 29 7.408 -3.345 -28.426 243 HG13 VAL 29 HG13 VAL 29 8.190 -2.705 -29.872 244 HG21 VAL 29 HG21 VAL 29 6.118 -0.155 -30.326 245 HG22 VAL 29 HG22 VAL 29 6.505 -1.824 -30.744 246 HG23 VAL 29 HG23 VAL 29 5.148 -1.476 -29.672 247 H GLN 30 H GLN 30 6.443 -2.800 -25.459 248 HA GLN 30 HA GLN 30 8.215 -1.094 -23.918 249 HB2 GLN 30 HB2 GLN 30 6.191 -2.563 -23.082 250 HB3 GLN 30 HB3 GLN 30 7.409 -3.830 -23.026 251 HG2 GLN 30 HG2 GLN 30 8.793 -2.304 -21.599 252 HG3 GLN 30 HG3 GLN 30 7.398 -1.229 -21.522 253 HE21 GLN 30 HE21 GLN 30 8.577 -2.381 -19.277 254 HE22 GLN 30 HE22 GLN 30 7.450 -3.479 -18.563 255 H LYS 31 H LYS 31 10.249 -1.140 -24.715 256 HA LYS 31 HA LYS 31 11.480 -3.565 -25.645 257 HB2 LYS 31 HB2 LYS 31 12.843 -0.942 -25.034 258 HB3 LYS 31 HB3 LYS 31 13.406 -2.217 -26.106 259 HG2 LYS 31 HG2 LYS 31 10.940 -0.550 -26.558 260 HG3 LYS 31 HG3 LYS 31 12.511 -0.271 -27.313 261 HD2 LYS 31 HD2 LYS 31 11.139 -2.926 -27.548 262 HD3 LYS 31 HD3 LYS 31 10.718 -1.591 -28.623 263 HE2 LYS 31 HE2 LYS 31 13.588 -2.317 -28.254 264 HE3 LYS 31 HE3 LYS 31 12.575 -3.324 -29.288 265 HZ1 LYS 31 HZ1 LYS 31 11.972 -0.846 -30.140 266 HZ2 LYS 31 HZ2 LYS 31 13.127 -1.852 -30.857 267 HZ3 LYS 31 HZ3 LYS 31 13.608 -0.670 -29.747 268 H ASN 32 H ASN 32 13.628 -4.263 -24.776 269 HA ASN 32 HA ASN 32 13.439 -5.172 -22.179 270 HB2 ASN 32 HB2 ASN 32 14.991 -6.143 -23.787 271 HB3 ASN 32 HB3 ASN 32 15.943 -4.661 -23.799 272 HD21 ASN 32 HD21 ASN 32 17.766 -5.885 -23.190 273 HD22 ASN 32 HD22 ASN 32 17.987 -6.400 -21.555 274 H ASP 33 H ASP 33 15.286 -2.368 -23.357 275 HA ASP 33 HA ASP 33 15.103 -1.214 -20.666 276 HB2 ASP 33 HB2 ASP 33 17.400 -2.334 -21.310 277 HB3 ASP 33 HB3 ASP 33 17.633 -0.844 -22.221 278 H GLU 34 H GLU 34 13.791 -0.795 -23.339 279 HA GLU 34 HA GLU 34 14.197 2.104 -23.425 280 HB2 GLU 34 HB2 GLU 34 14.240 0.265 -25.819 281 HB3 GLU 34 HB3 GLU 34 14.009 2.003 -25.940 282 HG2 GLU 34 HG2 GLU 34 16.406 0.750 -24.634 283 HG3 GLU 34 HG3 GLU 34 16.342 1.175 -26.344 284 H GLU 35 H GLU 35 12.436 3.035 -25.038 285 HA GLU 35 HA GLU 35 9.913 1.580 -24.731 286 HB2 GLU 35 HB2 GLU 35 10.610 4.211 -23.518 287 HB3 GLU 35 HB3 GLU 35 8.984 4.006 -24.154 288 HG2 GLU 35 HG2 GLU 35 8.563 3.270 -22.078 289 HG3 GLU 35 HG3 GLU 35 9.188 1.752 -22.719 290 H ARG 36 H ARG 36 8.978 1.472 -26.651 291 HA ARG 36 HA ARG 36 9.257 3.758 -28.488 292 HE ARG 36 HE ARG 36 10.620 3.102 -33.087 293 HB2 ARG 36 HB2 ARG 36 10.505 1.473 -28.983 294 HB3 ARG 36 HB3 ARG 36 8.917 1.000 -29.573 295 HG2 ARG 36 HG2 ARG 36 8.995 2.424 -31.349 296 HG3 ARG 36 HG3 ARG 36 10.034 3.582 -30.515 297 HD2 ARG 36 HD2 ARG 36 11.927 2.055 -30.750 298 HD3 ARG 36 HD3 ARG 36 10.889 0.888 -31.568 299 HH11 ARG 36 HH11 ARG 36 13.388 1.366 -31.885 300 HH12 ARG 36 HH12 ARG 36 14.398 1.785 -33.230 301 HH21 ARG 36 HH21 ARG 36 11.939 3.659 -34.862 302 HH22 ARG 36 HH22 ARG 36 13.572 3.089 -34.922 303 H LEU 37 H LEU 37 7.541 3.630 -30.279 304 HA LEU 37 HA LEU 37 5.012 2.524 -29.304 305 HG LEU 37 HG LEU 37 3.424 4.700 -31.087 306 HB2 LEU 37 HB2 LEU 37 4.906 4.729 -28.465 307 HB3 LEU 37 HB3 LEU 37 5.556 5.406 -29.956 308 HD11 LEU 37 HD11 LEU 37 1.982 3.409 -30.013 309 HD12 LEU 37 HD12 LEU 37 1.758 4.666 -28.798 310 HD13 LEU 37 HD13 LEU 37 3.004 3.438 -28.576 311 HD21 LEU 37 HD21 LEU 37 3.394 6.945 -30.742 312 HD22 LEU 37 HD22 LEU 37 3.692 6.797 -29.010 313 HD23 LEU 37 HD23 LEU 37 2.078 6.496 -29.656 314 H ALA 38 H ALA 38 3.856 1.603 -30.875 315 HA ALA 38 HA ALA 38 4.240 2.472 -33.646 316 HB1 ALA 38 HB1 ALA 38 4.017 -0.413 -33.477 317 HB2 ALA 38 HB2 ALA 38 5.175 0.582 -34.361 318 HB3 ALA 38 HB3 ALA 38 5.461 0.193 -32.665 319 H GLU 39 H GLU 39 2.580 1.500 -35.116 320 HA GLU 39 HA GLU 39 0.003 1.426 -33.720 321 HB2 GLU 39 HB2 GLU 39 0.662 3.022 -35.720 322 HB3 GLU 39 HB3 GLU 39 0.223 1.624 -36.692 323 HG2 GLU 39 HG2 GLU 39 -1.707 2.946 -36.570 324 HG3 GLU 39 HG3 GLU 39 -1.975 1.610 -35.451 325 H ILE 40 H ILE 40 -1.656 -0.056 -34.490 326 HA ILE 40 HA ILE 40 -0.490 -2.654 -35.184 327 HB ILE 40 HB ILE 40 -3.212 -2.000 -34.050 328 HG12 ILE 40 HG12 ILE 40 -1.397 -1.605 -32.452 329 HG13 ILE 40 HG13 ILE 40 -2.340 -3.016 -31.985 330 HG21 ILE 40 HG21 ILE 40 -3.605 -3.979 -35.144 331 HG22 ILE 40 HG22 ILE 40 -1.944 -4.538 -34.958 332 HG23 ILE 40 HG23 ILE 40 -3.045 -4.573 -33.581 333 HD11 ILE 40 HD11 ILE 40 -0.499 -4.228 -31.929 334 HD12 ILE 40 HD12 ILE 40 -0.209 -3.891 -33.636 335 HD13 ILE 40 HD13 ILE 40 0.445 -2.815 -32.400 336 H LEU 41 H LEU 41 -0.837 -3.578 -37.098 337 HA LEU 41 HA LEU 41 -2.784 -2.324 -38.906 338 HG LEU 41 HG LEU 41 0.215 -1.621 -39.101 339 HB2 LEU 41 HB2 LEU 41 -0.316 -3.964 -39.426 340 HB3 LEU 41 HB3 LEU 41 -1.478 -3.552 -40.685 341 HD11 LEU 41 HD11 LEU 41 1.496 -2.813 -40.762 342 HD12 LEU 41 HD12 LEU 41 1.226 -1.156 -41.301 343 HD13 LEU 41 HD13 LEU 41 0.278 -2.473 -41.992 344 HD21 LEU 41 HD21 LEU 41 -2.258 -1.239 -40.514 345 HD22 LEU 41 HD22 LEU 41 -0.953 -0.357 -41.309 346 HD23 LEU 41 HD23 LEU 41 -1.296 -0.074 -39.602 347 H SER 42 H SER 42 -1.363 -5.583 -38.657 348 HA SER 42 HA SER 42 -4.094 -6.682 -38.794 349 HG SER 42 HG SER 42 -4.304 -8.550 -40.635 350 HB2 SER 42 HB2 SER 42 -2.849 -6.957 -40.938 351 HB3 SER 42 HB3 SER 42 -1.628 -7.888 -40.071 352 H ILE 43 H ILE 43 -4.359 -8.808 -37.843 353 HA ILE 43 HA ILE 43 -2.326 -9.458 -35.816 354 HB ILE 43 HB ILE 43 -5.293 -9.622 -35.305 355 HG12 ILE 43 HG12 ILE 43 -4.723 -7.279 -35.583 356 HG13 ILE 43 HG13 ILE 43 -4.976 -7.616 -33.873 357 HG21 ILE 43 HG21 ILE 43 -3.024 -10.670 -33.981 358 HG22 ILE 43 HG22 ILE 43 -3.686 -9.388 -32.967 359 HG23 ILE 43 HG23 ILE 43 -4.712 -10.730 -33.473 360 HD11 ILE 43 HD11 ILE 43 -2.244 -8.017 -34.353 361 HD12 ILE 43 HD12 ILE 43 -2.686 -6.527 -35.187 362 HD13 ILE 43 HD13 ILE 43 -3.009 -6.701 -33.462 363 H ASN 44 H ASN 44 -1.974 -11.605 -35.424 364 HA ASN 44 HA ASN 44 -3.261 -13.463 -37.290 365 HB2 ASN 44 HB2 ASN 44 -0.591 -13.256 -36.068 366 HB3 ASN 44 HB3 ASN 44 -1.241 -14.892 -36.122 367 HD21 ASN 44 HD21 ASN 44 0.733 -12.944 -37.691 368 HD22 ASN 44 HD22 ASN 44 0.491 -13.463 -39.321 369 H THR 45 H THR 45 -4.260 -15.337 -36.624 370 HA THR 45 HA THR 45 -4.501 -15.806 -33.738 371 HB THR 45 HB THR 45 -6.956 -16.292 -34.085 372 HG1 THR 45 HG1 THR 45 -7.074 -16.392 -36.318 373 HG21 THR 45 HG21 THR 45 -5.833 -14.088 -33.214 374 HG22 THR 45 HG22 THR 45 -7.564 -14.134 -33.541 375 HG23 THR 45 HG23 THR 45 -6.464 -13.414 -34.716 376 H ARG 46 H ARG 46 -3.087 -17.133 -35.994 377 HA ARG 46 HA ARG 46 -4.512 -19.629 -36.364 378 HE ARG 46 HE ARG 46 -1.591 -22.793 -38.877 379 HB2 ARG 46 HB2 ARG 46 -3.088 -18.547 -38.146 380 HB3 ARG 46 HB3 ARG 46 -1.681 -18.974 -37.182 381 HG2 ARG 46 HG2 ARG 46 -2.458 -21.368 -37.323 382 HG3 ARG 46 HG3 ARG 46 -3.630 -20.822 -38.525 383 HD2 ARG 46 HD2 ARG 46 -2.011 -20.352 -40.087 384 HD3 ARG 46 HD3 ARG 46 -0.765 -20.083 -38.869 385 HH11 ARG 46 HH11 ARG 46 0.304 -20.487 -40.669 386 HH12 ARG 46 HH12 ARG 46 1.366 -21.682 -41.336 387 HH21 ARG 46 HH21 ARG 46 -0.199 -24.376 -39.749 388 HH22 ARG 46 HH22 ARG 46 1.078 -23.893 -40.813 389 H LYS 47 H LYS 47 -1.288 -18.769 -35.095 390 HA LYS 47 HA LYS 47 -1.477 -21.108 -33.312 391 HB2 LYS 47 HB2 LYS 47 0.867 -21.381 -33.441 392 HB3 LYS 47 HB3 LYS 47 0.338 -21.095 -35.094 393 HG2 LYS 47 HG2 LYS 47 0.960 -18.678 -34.751 394 HG3 LYS 47 HG3 LYS 47 1.723 -19.178 -33.240 395 HD2 LYS 47 HD2 LYS 47 3.063 -20.827 -34.588 396 HD3 LYS 47 HD3 LYS 47 2.426 -20.048 -36.038 397 HE2 LYS 47 HE2 LYS 47 3.440 -17.960 -35.429 398 HE3 LYS 47 HE3 LYS 47 3.926 -18.601 -33.861 399 HZ1 LYS 47 HZ1 LYS 47 5.827 -19.184 -34.806 400 HZ2 LYS 47 HZ2 LYS 47 5.274 -18.759 -36.348 401 HZ3 LYS 47 HZ3 LYS 47 4.988 -20.313 -35.745 402 H ALA 48 H ALA 48 -0.464 -20.903 -31.205 403 HA ALA 48 HA ALA 48 -0.608 -18.141 -30.193 404 HB1 ALA 48 HB1 ALA 48 -0.799 -20.421 -28.313 405 HB2 ALA 48 HB2 ALA 48 -1.634 -18.868 -28.303 406 HB3 ALA 48 HB3 ALA 48 -2.166 -20.147 -29.394 407 HA PRO 49 HA PRO 49 -0.250 -17.317 -28.041 408 HB2 PRO 49 HB2 PRO 49 1.364 -15.165 -27.677 409 HB3 PRO 49 HB3 PRO 49 1.237 -16.479 -26.503 410 HG2 PRO 49 HG2 PRO 49 3.329 -16.000 -28.590 411 HG3 PRO 49 HG3 PRO 49 3.527 -16.515 -26.905 412 HD2 PRO 49 HD2 PRO 49 3.629 -18.251 -28.981 413 HD3 PRO 49 HD3 PRO 49 3.006 -18.709 -27.383 414 HA PRO 50 HA PRO 50 -1.221 -14.992 -31.645 415 HB2 PRO 50 HB2 PRO 50 -2.334 -12.746 -30.604 416 HB3 PRO 50 HB3 PRO 50 -3.140 -14.318 -30.577 417 HG2 PRO 50 HG2 PRO 50 -1.606 -12.938 -28.408 418 HG3 PRO 50 HG3 PRO 50 -3.139 -13.824 -28.305 419 HD2 PRO 50 HD2 PRO 50 -0.772 -14.917 -27.572 420 HD3 PRO 50 HD3 PRO 50 -2.094 -15.878 -28.265 421 H LYS 51 H LYS 51 -0.476 -13.377 -32.997 422 HA LYS 51 HA LYS 51 1.753 -11.766 -31.942 423 HB2 LYS 51 HB2 LYS 51 1.340 -12.475 -34.840 424 HB3 LYS 51 HB3 LYS 51 2.804 -11.890 -34.061 425 HG2 LYS 51 HG2 LYS 51 1.540 -14.579 -33.568 426 HG3 LYS 51 HG3 LYS 51 2.915 -14.276 -34.634 427 HD2 LYS 51 HD2 LYS 51 4.019 -13.227 -32.556 428 HD3 LYS 51 HD3 LYS 51 2.763 -14.067 -31.644 429 HE2 LYS 51 HE2 LYS 51 4.571 -15.551 -31.643 430 HE3 LYS 51 HE3 LYS 51 3.505 -16.164 -32.907 431 HZ1 LYS 51 HZ1 LYS 51 5.283 -14.308 -34.037 432 HZ2 LYS 51 HZ2 LYS 51 5.148 -15.965 -34.354 433 HZ3 LYS 51 HZ3 LYS 51 6.182 -15.419 -33.132 434 H PHE 52 H PHE 52 2.151 -9.748 -33.347 435 HA PHE 52 HA PHE 52 -0.317 -8.540 -34.325 436 HD1 PHE 52 HD1 PHE 52 -2.125 -8.298 -32.208 437 HD2 PHE 52 HD2 PHE 52 1.728 -8.266 -30.401 438 HE1 PHE 52 HE1 PHE 52 -3.032 -9.501 -30.262 439 HE2 PHE 52 HE2 PHE 52 0.828 -9.469 -28.452 440 HZ PHE 52 HZ PHE 52 -1.555 -10.087 -28.381 441 HB2 PHE 52 HB2 PHE 52 1.356 -7.027 -32.334 442 HB3 PHE 52 HB3 PHE 52 -0.280 -6.680 -32.882 443 H TYR 53 H TYR 53 -0.009 -7.030 -35.903 444 HA TYR 53 HA TYR 53 2.704 -6.807 -36.940 445 HD1 TYR 53 HD1 TYR 53 3.182 -5.019 -39.120 446 HD2 TYR 53 HD2 TYR 53 0.946 -8.561 -39.869 447 HE1 TYR 53 HE1 TYR 53 4.690 -5.570 -40.984 448 HE2 TYR 53 HE2 TYR 53 2.449 -9.123 -41.733 449 HH TYR 53 HH TYR 53 4.003 -8.130 -43.208 450 HB2 TYR 53 HB2 TYR 53 0.270 -7.171 -38.169 451 HB3 TYR 53 HB3 TYR 53 0.572 -5.457 -38.434 452 H VAL 54 H VAL 54 3.900 -5.194 -36.179 453 HA VAL 54 HA VAL 54 2.669 -2.722 -35.276 454 HB VAL 54 HB VAL 54 4.977 -2.090 -34.603 455 HG11 VAL 54 HG11 VAL 54 3.252 -3.774 -33.372 456 HG12 VAL 54 HG12 VAL 54 4.708 -4.769 -33.424 457 HG13 VAL 54 HG13 VAL 54 4.749 -3.184 -32.651 458 HG21 VAL 54 HG21 VAL 54 6.809 -3.557 -34.833 459 HG22 VAL 54 HG22 VAL 54 5.777 -4.889 -35.354 460 HG23 VAL 54 HG23 VAL 54 6.043 -3.509 -36.421 461 H HIS 55 H HIS 55 3.014 -0.702 -36.156 462 HA HIS 55 HA HIS 55 4.529 -0.551 -38.663 463 HD1 HIS 55 HD1 HIS 55 3.096 -0.239 -41.622 464 HD2 HIS 55 HD2 HIS 55 2.370 3.047 -39.185 465 HE1 HIS 55 HE1 HIS 55 3.288 1.768 -43.125 466 HB2 HIS 55 HB2 HIS 55 2.215 -0.871 -39.331 467 HB3 HIS 55 HB3 HIS 55 1.696 0.432 -38.267 468 H TYR 56 H TYR 56 5.320 1.520 -39.189 469 HA TYR 56 HA TYR 56 5.506 3.305 -36.871 470 HD1 TYR 56 HD1 TYR 56 7.256 3.288 -35.602 471 HD2 TYR 56 HD2 TYR 56 8.689 5.367 -39.026 472 HE1 TYR 56 HE1 TYR 56 8.542 4.793 -34.143 473 HE2 TYR 56 HE2 TYR 56 9.979 6.878 -37.577 474 HH TYR 56 HH TYR 56 9.471 7.179 -34.319 475 HB2 TYR 56 HB2 TYR 56 7.529 2.312 -38.242 476 HB3 TYR 56 HB3 TYR 56 7.179 3.654 -39.325 477 H VAL 57 H VAL 57 4.348 5.103 -36.836 478 HA VAL 57 HA VAL 57 2.647 5.952 -38.868 479 HB VAL 57 HB VAL 57 2.594 8.153 -37.606 480 HG11 VAL 57 HG11 VAL 57 1.239 7.279 -35.909 481 HG12 VAL 57 HG12 VAL 57 1.160 6.074 -37.195 482 HG13 VAL 57 HG13 VAL 57 2.189 5.799 -35.789 483 HG21 VAL 57 HG21 VAL 57 5.016 7.204 -36.589 484 HG22 VAL 57 HG22 VAL 57 4.127 8.636 -36.069 485 HG23 VAL 57 HG23 VAL 57 3.874 7.095 -35.249 486 H ASN 58 H ASN 58 6.004 6.662 -38.295 487 HA ASN 58 HA ASN 58 6.079 8.901 -40.114 488 HB2 ASN 58 HB2 ASN 58 7.625 8.308 -38.030 489 HB3 ASN 58 HB3 ASN 58 8.569 7.493 -39.274 490 HD21 ASN 58 HD21 ASN 58 10.253 8.749 -39.655 491 HD22 ASN 58 HD22 ASN 58 10.192 10.441 -39.999 492 H TYR 59 H TYR 59 8.082 8.721 -41.745 493 HA TYR 59 HA TYR 59 7.272 6.712 -43.651 494 HD1 TYR 59 HD1 TYR 59 6.340 7.530 -45.591 495 HD2 TYR 59 HD2 TYR 59 10.516 8.153 -46.118 496 HE1 TYR 59 HE1 TYR 59 6.140 6.840 -47.943 497 HE2 TYR 59 HE2 TYR 59 10.327 7.466 -48.472 498 HH TYR 59 HH TYR 59 8.041 7.505 -50.223 499 HB2 TYR 59 HB2 TYR 59 7.946 9.190 -44.101 500 HB3 TYR 59 HB3 TYR 59 9.593 8.572 -44.055 501 H ASN 60 H ASN 60 7.950 4.803 -42.563 502 HA ASN 60 HA ASN 60 10.600 3.989 -43.259 503 HB2 ASN 60 HB2 ASN 60 9.954 4.690 -40.436 504 HB3 ASN 60 HB3 ASN 60 10.931 3.252 -40.716 505 HD21 ASN 60 HD21 ASN 60 11.104 6.421 -40.050 506 HD22 ASN 60 HD22 ASN 60 12.655 6.791 -40.716 507 H LYS 61 H LYS 61 10.040 2.133 -44.198 508 HA LYS 61 HA LYS 61 7.925 0.479 -43.102 509 HB2 LYS 61 HB2 LYS 61 9.521 0.509 -45.624 510 HB3 LYS 61 HB3 LYS 61 8.763 -1.000 -45.134 511 HG2 LYS 61 HG2 LYS 61 7.127 -0.120 -46.457 512 HG3 LYS 61 HG3 LYS 61 6.636 0.512 -44.884 513 HD2 LYS 61 HD2 LYS 61 7.700 2.634 -45.368 514 HD3 LYS 61 HD3 LYS 61 8.315 2.007 -46.898 515 HE2 LYS 61 HE2 LYS 61 5.437 2.474 -46.136 516 HE3 LYS 61 HE3 LYS 61 6.377 3.349 -47.343 517 HZ1 LYS 61 HZ1 LYS 61 5.476 0.527 -47.469 518 HZ2 LYS 61 HZ2 LYS 61 6.586 1.199 -48.554 519 HZ3 LYS 61 HZ3 LYS 61 5.008 1.802 -48.477 520 H ARG 62 H ARG 62 11.386 0.591 -43.152 521 HA ARG 62 HA ARG 62 12.088 -2.046 -42.723 522 HE ARG 62 HE ARG 62 14.560 3.483 -40.615 523 HB2 ARG 62 HB2 ARG 62 14.112 -1.232 -41.722 524 HB3 ARG 62 HB3 ARG 62 13.666 -0.132 -43.019 525 HG2 ARG 62 HG2 ARG 62 12.600 1.320 -41.244 526 HG3 ARG 62 HG3 ARG 62 13.411 0.295 -40.059 527 HD2 ARG 62 HD2 ARG 62 15.572 0.832 -41.098 528 HD3 ARG 62 HD3 ARG 62 14.747 1.882 -42.249 529 HH11 ARG 62 HH11 ARG 62 15.504 0.456 -39.177 530 HH12 ARG 62 HH12 ARG 62 15.834 1.148 -37.623 531 HH21 ARG 62 HH21 ARG 62 14.991 4.405 -38.574 532 HH22 ARG 62 HH22 ARG 62 15.541 3.394 -37.281 533 H LEU 63 H LEU 63 10.598 0.228 -40.539 534 HA LEU 63 HA LEU 63 10.958 -1.524 -38.245 535 HG LEU 63 HG LEU 63 9.714 -0.408 -36.075 536 HB2 LEU 63 HB2 LEU 63 10.940 1.118 -38.365 537 HB3 LEU 63 HB3 LEU 63 9.206 0.878 -38.164 538 HD11 LEU 63 HD11 LEU 63 12.403 -0.010 -37.027 539 HD12 LEU 63 HD12 LEU 63 11.811 -1.045 -35.728 540 HD13 LEU 63 HD13 LEU 63 12.205 0.643 -35.401 541 HD21 LEU 63 HD21 LEU 63 8.949 1.713 -35.623 542 HD22 LEU 63 HD22 LEU 63 10.305 2.493 -36.437 543 HD23 LEU 63 HD23 LEU 63 10.536 1.753 -34.853 544 H ASP 64 H ASP 64 8.520 -0.647 -40.569 545 HA ASP 64 HA ASP 64 6.271 -1.646 -39.160 546 HB2 ASP 64 HB2 ASP 64 5.813 -0.156 -40.938 547 HB3 ASP 64 HB3 ASP 64 6.799 -1.077 -42.071 548 H GLU 65 H GLU 65 6.844 -3.675 -38.334 549 HA GLU 65 HA GLU 65 6.691 -5.834 -40.308 550 HB2 GLU 65 HB2 GLU 65 8.482 -7.074 -39.292 551 HB3 GLU 65 HB3 GLU 65 9.083 -5.476 -39.710 552 HG2 GLU 65 HG2 GLU 65 8.445 -4.912 -37.242 553 HG3 GLU 65 HG3 GLU 65 8.548 -6.659 -37.031 554 H TRP 66 H TRP 66 6.746 -8.015 -38.789 555 HA TRP 66 HA TRP 66 4.530 -7.600 -36.895 556 HD1 TRP 66 HD1 TRP 66 6.696 -9.576 -39.953 557 HE1 TRP 66 HE1 TRP 66 7.762 -11.913 -40.123 558 HE3 TRP 66 HE3 TRP 66 3.804 -12.039 -36.531 559 HZ2 TRP 66 HZ2 TRP 66 7.421 -14.463 -38.961 560 HZ3 TRP 66 HZ3 TRP 66 4.239 -14.426 -36.119 561 HH2 TRP 66 HH2 TRP 66 6.010 -15.611 -37.311 562 HB2 TRP 66 HB2 TRP 66 3.748 -9.801 -37.425 563 HB3 TRP 66 HB3 TRP 66 4.064 -8.977 -38.949 564 H ILE 67 H ILE 67 4.709 -8.290 -34.836 565 HA ILE 67 HA ILE 67 7.023 -9.955 -34.119 566 HB ILE 67 HB ILE 67 7.215 -8.567 -32.006 567 HG12 ILE 67 HG12 ILE 67 5.710 -6.532 -33.661 568 HG13 ILE 67 HG13 ILE 67 5.008 -7.423 -32.315 569 HG21 ILE 67 HG21 ILE 67 7.966 -7.586 -34.731 570 HG22 ILE 67 HG22 ILE 67 8.411 -6.667 -33.294 571 HG23 ILE 67 HG23 ILE 67 8.979 -8.325 -33.491 572 HD11 ILE 67 HD11 ILE 67 7.493 -6.098 -31.610 573 HD12 ILE 67 HD12 ILE 67 6.249 -4.982 -32.172 574 HD13 ILE 67 HD13 ILE 67 5.919 -6.061 -30.815 575 H THR 68 H THR 68 6.754 -10.411 -31.569 576 HA THR 68 HA THR 68 4.106 -11.648 -31.335 577 HB THR 68 HB THR 68 5.040 -13.185 -29.780 578 HG1 THR 68 HG1 THR 68 7.569 -11.948 -29.823 579 HG21 THR 68 HG21 THR 68 5.988 -12.966 -32.365 580 HG22 THR 68 HG22 THR 68 6.171 -14.367 -31.310 581 HG23 THR 68 HG23 THR 68 7.455 -13.163 -31.407 582 H THR 69 H THR 69 3.819 -12.031 -28.691 583 HA THR 69 HA THR 69 3.119 -9.389 -27.766 584 HB THR 69 HB THR 69 1.623 -11.372 -27.452 585 HG1 THR 69 HG1 THR 69 1.618 -9.409 -26.082 586 HG21 THR 69 HG21 THR 69 2.140 -13.143 -26.109 587 HG22 THR 69 HG22 THR 69 3.203 -12.190 -25.074 588 HG23 THR 69 HG23 THR 69 3.767 -12.737 -26.653 589 H ASP 70 H ASP 70 5.809 -11.401 -27.476 590 HA ASP 70 HA ASP 70 6.674 -11.014 -24.863 591 HB2 ASP 70 HB2 ASP 70 7.700 -12.451 -26.749 592 HB3 ASP 70 HB3 ASP 70 8.574 -10.988 -27.196 593 H ARG 71 H ARG 71 6.542 -8.797 -27.514 594 HA ARG 71 HA ARG 71 8.068 -6.817 -25.959 595 HE ARG 71 HE ARG 71 10.154 -7.117 -25.485 596 HB2 ARG 71 HB2 ARG 71 7.417 -6.759 -28.911 597 HB3 ARG 71 HB3 ARG 71 8.459 -5.638 -28.044 598 HG2 ARG 71 HG2 ARG 71 9.057 -8.573 -28.148 599 HG3 ARG 71 HG3 ARG 71 9.564 -7.472 -29.431 600 HD2 ARG 71 HD2 ARG 71 11.416 -7.501 -28.047 601 HD3 ARG 71 HD3 ARG 71 10.553 -6.067 -27.490 602 HH11 ARG 71 HH11 ARG 71 11.327 -9.433 -27.805 603 HH12 ARG 71 HH12 ARG 71 11.542 -10.692 -26.634 604 HH21 ARG 71 HH21 ARG 71 10.432 -8.766 -23.935 605 HH22 ARG 71 HH22 ARG 71 11.032 -10.312 -24.433 606 H ILE 72 H ILE 72 4.998 -7.587 -27.341 607 HA ILE 72 HA ILE 72 3.985 -4.892 -26.754 608 HB ILE 72 HB ILE 72 2.698 -7.130 -28.322 609 HG12 ILE 72 HG12 ILE 72 3.521 -4.485 -29.460 610 HG13 ILE 72 HG13 ILE 72 4.734 -5.741 -29.236 611 HG21 ILE 72 HG21 ILE 72 1.567 -4.827 -27.074 612 HG22 ILE 72 HG22 ILE 72 1.469 -4.640 -28.825 613 HG23 ILE 72 HG23 ILE 72 0.772 -6.063 -28.050 614 HD11 ILE 72 HD11 ILE 72 3.855 -5.763 -31.494 615 HD12 ILE 72 HD12 ILE 72 3.430 -7.248 -30.643 616 HD13 ILE 72 HD13 ILE 72 2.220 -5.984 -30.870 617 H ASN 73 H ASN 73 2.884 -4.567 -24.946 618 HA ASN 73 HA ASN 73 1.578 -6.875 -23.660 619 HB2 ASN 73 HB2 ASN 73 3.649 -5.810 -22.522 620 HB3 ASN 73 HB3 ASN 73 2.562 -4.483 -22.127 621 HD21 ASN 73 HD21 ASN 73 0.509 -5.135 -21.042 622 HD22 ASN 73 HD22 ASN 73 0.604 -6.388 -19.856 623 H LEU 74 H LEU 74 -0.545 -6.713 -23.352 624 HA LEU 74 HA LEU 74 -2.120 -4.695 -24.378 625 HG LEU 74 HG LEU 74 -4.240 -7.670 -23.882 626 HB2 LEU 74 HB2 LEU 74 -2.543 -6.891 -22.434 627 HB3 LEU 74 HB3 LEU 74 -3.771 -5.628 -22.499 628 HD11 LEU 74 HD11 LEU 74 -5.328 -6.457 -25.520 629 HD12 LEU 74 HD12 LEU 74 -4.021 -5.281 -25.665 630 HD13 LEU 74 HD13 LEU 74 -5.085 -5.248 -24.259 631 HD21 LEU 74 HD21 LEU 74 -1.735 -7.703 -24.627 632 HD22 LEU 74 HD22 LEU 74 -2.304 -6.608 -25.888 633 HD23 LEU 74 HD23 LEU 74 -3.002 -8.221 -25.740 634 H ASP 75 H ASP 75 -3.211 -2.929 -23.521 635 HA ASP 75 HA ASP 75 -1.976 -1.796 -21.116 636 HB2 ASP 75 HB2 ASP 75 -1.779 -0.290 -22.923 637 HB3 ASP 75 HB3 ASP 75 -3.435 -0.577 -23.451 638 H LYS 76 H LYS 76 -5.193 -1.355 -22.566 639 HA LYS 76 HA LYS 76 -6.523 -0.863 -20.173 640 HB2 LYS 76 HB2 LYS 76 -8.579 -1.227 -21.398 641 HB3 LYS 76 HB3 LYS 76 -7.435 -0.369 -22.422 642 HG2 LYS 76 HG2 LYS 76 -6.910 -2.420 -23.602 643 HG3 LYS 76 HG3 LYS 76 -7.989 -3.328 -22.540 644 HD2 LYS 76 HD2 LYS 76 -9.314 -2.967 -24.406 645 HD3 LYS 76 HD3 LYS 76 -9.788 -1.639 -23.345 646 HE2 LYS 76 HE2 LYS 76 -8.279 -0.139 -24.537 647 HE3 LYS 76 HE3 LYS 76 -7.765 -1.466 -25.577 648 HZ1 LYS 76 HZ1 LYS 76 -10.523 -0.377 -25.409 649 HZ2 LYS 76 HZ2 LYS 76 -10.021 -1.641 -26.414 650 HZ3 LYS 76 HZ3 LYS 76 -9.421 -0.079 -26.657 651 H GLU 77 H GLU 77 -8.152 -2.195 -19.086 652 HA GLU 77 HA GLU 77 -7.076 -4.756 -18.399 653 HB2 GLU 77 HB2 GLU 77 -8.861 -4.876 -16.777 654 HB3 GLU 77 HB3 GLU 77 -8.175 -3.258 -16.755 655 HG2 GLU 77 HG2 GLU 77 -10.133 -2.802 -18.473 656 HG3 GLU 77 HG3 GLU 77 -10.851 -4.176 -17.634 657 H VAL 78 H VAL 78 -8.234 -6.776 -18.485 658 HA VAL 78 HA VAL 78 -9.565 -7.135 -21.030 659 HB VAL 78 HB VAL 78 -7.854 -8.745 -20.259 660 HG11 VAL 78 HG11 VAL 78 -9.614 -10.174 -18.432 661 HG12 VAL 78 HG12 VAL 78 -7.905 -9.761 -18.270 662 HG13 VAL 78 HG13 VAL 78 -9.144 -8.584 -17.833 663 HG21 VAL 78 HG21 VAL 78 -10.458 -10.217 -20.399 664 HG22 VAL 78 HG22 VAL 78 -9.875 -9.289 -21.781 665 HG23 VAL 78 HG23 VAL 78 -8.908 -10.618 -21.139 666 H LEU 79 H LEU 79 -11.682 -7.482 -21.359 667 HA LEU 79 HA LEU 79 -13.442 -7.405 -19.016 668 HG LEU 79 HG LEU 79 -15.111 -5.927 -19.124 669 HB2 LEU 79 HB2 LEU 79 -13.510 -5.906 -21.245 670 HB3 LEU 79 HB3 LEU 79 -14.568 -7.226 -21.742 671 HD11 LEU 79 HD11 LEU 79 -16.605 -4.333 -20.575 672 HD12 LEU 79 HD12 LEU 79 -15.343 -4.595 -21.778 673 HD13 LEU 79 HD13 LEU 79 -14.933 -3.915 -20.203 674 HD21 LEU 79 HD21 LEU 79 -17.471 -6.233 -20.149 675 HD22 LEU 79 HD22 LEU 79 -16.587 -7.650 -19.583 676 HD23 LEU 79 HD23 LEU 79 -16.648 -7.279 -21.307 677 H TYR 80 H TYR 80 -14.217 -9.271 -18.310 678 HA TYR 80 HA TYR 80 -14.729 -11.414 -20.267 679 HD1 TYR 80 HD1 TYR 80 -13.868 -13.734 -20.490 680 HD2 TYR 80 HD2 TYR 80 -11.277 -11.544 -17.922 681 HE1 TYR 80 HE1 TYR 80 -11.922 -14.641 -21.690 682 HE2 TYR 80 HE2 TYR 80 -9.324 -12.443 -19.116 683 HH TYR 80 HH TYR 80 -9.711 -14.615 -21.900 684 HB2 TYR 80 HB2 TYR 80 -13.547 -11.476 -17.527 685 HB3 TYR 80 HB3 TYR 80 -14.509 -12.853 -18.053 686 HA PRO 81 HA PRO 81 -18.836 -10.277 -18.563 687 HB2 PRO 81 HB2 PRO 81 -20.172 -10.849 -20.856 688 HB3 PRO 81 HB3 PRO 81 -19.382 -9.295 -20.567 689 HG2 PRO 81 HG2 PRO 81 -18.410 -11.651 -22.137 690 HG3 PRO 81 HG3 PRO 81 -18.326 -9.927 -22.540 691 HD2 PRO 81 HD2 PRO 81 -16.212 -11.295 -21.543 692 HD3 PRO 81 HD3 PRO 81 -16.484 -9.574 -21.199 693 H LYS 82 H LYS 82 -19.759 -11.766 -17.316 694 HA LYS 82 HA LYS 82 -19.396 -14.501 -17.451 695 HB2 LYS 82 HB2 LYS 82 -20.236 -13.474 -15.444 696 HB3 LYS 82 HB3 LYS 82 -21.682 -12.914 -16.275 697 HG2 LYS 82 HG2 LYS 82 -22.684 -14.957 -16.209 698 HG3 LYS 82 HG3 LYS 82 -21.151 -15.833 -16.227 699 HD2 LYS 82 HD2 LYS 82 -21.831 -16.184 -14.058 700 HD3 LYS 82 HD3 LYS 82 -20.847 -14.731 -13.868 701 HE2 LYS 82 HE2 LYS 82 -23.775 -14.490 -14.415 702 HE3 LYS 82 HE3 LYS 82 -23.216 -14.860 -12.784 703 HZ1 LYS 82 HZ1 LYS 82 -22.975 -12.398 -14.315 704 HZ2 LYS 82 HZ2 LYS 82 -21.638 -12.816 -13.365 705 HZ3 LYS 82 HZ3 LYS 82 -23.158 -12.624 -12.648 706 H LEU 83 H LEU 83 -20.361 -16.174 -18.474 707 HA LEU 83 HA LEU 83 -22.765 -15.657 -20.068 708 HG LEU 83 HG LEU 83 -21.155 -14.256 -21.514 709 HB2 LEU 83 HB2 LEU 83 -20.115 -16.623 -21.049 710 HB3 LEU 83 HB3 LEU 83 -21.591 -17.192 -21.827 711 HD11 LEU 83 HD11 LEU 83 -19.927 -14.177 -23.607 712 HD12 LEU 83 HD12 LEU 83 -19.919 -15.938 -23.691 713 HD13 LEU 83 HD13 LEU 83 -19.038 -15.113 -22.405 714 HD21 LEU 83 HD21 LEU 83 -22.296 -14.382 -23.796 715 HD22 LEU 83 HD22 LEU 83 -23.261 -14.803 -22.381 716 HD23 LEU 83 HD23 LEU 83 -22.606 -16.076 -23.411 717 H LYS 84 H LYS 84 -24.195 -17.310 -20.115 718 HA LYS 84 HA LYS 84 -23.871 -19.449 -18.271 719 HB2 LYS 84 HB2 LYS 84 -26.040 -18.274 -19.043 720 HB3 LYS 84 HB3 LYS 84 -25.977 -19.371 -20.416 721 HG2 LYS 84 HG2 LYS 84 -27.296 -20.587 -19.025 722 HG3 LYS 84 HG3 LYS 84 -25.715 -21.177 -18.506 723 HD2 LYS 84 HD2 LYS 84 -25.778 -20.005 -16.528 724 HD3 LYS 84 HD3 LYS 84 -26.869 -18.774 -17.169 725 HE2 LYS 84 HE2 LYS 84 -28.625 -20.618 -17.263 726 HE3 LYS 84 HE3 LYS 84 -27.521 -21.568 -16.268 727 HZ1 LYS 84 HZ1 LYS 84 -27.645 -19.189 -14.973 728 HZ2 LYS 84 HZ2 LYS 84 -28.518 -20.577 -14.558 729 HZ3 LYS 84 HZ3 LYS 84 -29.232 -19.387 -15.525 730 H ALA 85 H ALA 85 -22.802 -21.278 -18.582 731 HA ALA 85 HA ALA 85 -21.820 -22.060 -21.141 732 HB1 ALA 85 HB1 ALA 85 -21.769 -24.110 -19.056 733 HB2 ALA 85 HB2 ALA 85 -20.448 -23.400 -19.985 734 HB3 ALA 85 HB3 ALA 85 -21.074 -22.566 -18.563 735 H THR 86 H THR 86 -22.471 -23.677 -22.494 736 HA THR 86 HA THR 86 -24.792 -25.295 -21.737 737 HB THR 86 HB THR 86 -25.587 -24.851 -24.206 738 HG1 THR 86 HG1 THR 86 -24.037 -23.457 -24.922 739 HG21 THR 86 HG21 THR 86 -26.618 -24.214 -21.883 740 HG22 THR 86 HG22 THR 86 -27.241 -23.480 -23.360 741 HG23 THR 86 HG23 THR 86 -26.120 -22.584 -22.335 742 H ASP 87 H ASP 87 -25.133 -27.148 -23.137 743 HA ASP 87 HA ASP 87 -22.799 -27.886 -24.760 744 HB2 ASP 87 HB2 ASP 87 -24.086 -29.575 -22.608 745 HB3 ASP 87 HB3 ASP 87 -22.945 -30.198 -23.797 746 H GLU 88 H GLU 88 -23.258 -28.945 -26.615 747 HA GLU 88 HA GLU 88 -26.023 -29.115 -27.405 748 HB2 GLU 88 HB2 GLU 88 -23.393 -29.501 -28.786 749 HB3 GLU 88 HB3 GLU 88 -24.867 -30.084 -29.546 750 HG2 GLU 88 HG2 GLU 88 -24.452 -27.248 -28.636 751 HG3 GLU 88 HG3 GLU 88 -24.146 -27.819 -30.276 752 H ASP 89 H ASP 89 -26.596 -30.755 -25.793 753 HA ASP 89 HA ASP 89 -25.720 -33.467 -26.514 754 HB2 ASP 89 HB2 ASP 89 -26.439 -34.175 -24.339 755 HB3 ASP 89 HB3 ASP 89 -25.479 -32.714 -24.129 Start of MODEL 9 1 HA MET -4 HA MET -4 8.351 3.843 9.212 2 H1 MET -4 H1 MET -4 6.340 3.034 11.207 3 HB2 MET -4 HB2 MET -4 8.325 4.837 11.638 4 HB3 MET -4 HB3 MET -4 9.048 3.294 12.073 5 HG2 MET -4 HG2 MET -4 10.220 4.863 9.831 6 HG3 MET -4 HG3 MET -4 10.535 5.360 11.492 7 HE1 MET -4 HE1 MET -4 13.707 4.305 11.107 8 HE2 MET -4 HE2 MET -4 13.408 3.608 9.515 9 HE3 MET -4 HE3 MET -4 12.647 5.134 9.966 10 H GLY -3 H GLY -3 7.895 1.799 8.124 11 HA2 GLY -3 HA2 GLY -3 9.456 -0.381 9.340 12 HA3 GLY -3 HA3 GLY -3 7.856 -0.717 8.695 13 H SER -2 H SER -2 9.478 -2.264 7.541 14 HA SER -2 HA SER -2 9.709 -1.304 4.846 15 HG SER -2 HG SER -2 12.040 -2.221 3.786 16 HB2 SER -2 HB2 SER -2 11.846 -0.550 6.073 17 HB3 SER -2 HB3 SER -2 12.280 -2.259 6.094 18 H SER -1 H SER -1 10.259 -3.004 3.334 19 HA SER -1 HA SER -1 10.651 -5.690 4.164 20 HG SER -1 HG SER -1 8.954 -7.223 4.787 21 HB2 SER -1 HB2 SER -1 8.154 -5.107 4.714 22 HB3 SER -1 HB3 SER -1 7.925 -5.296 2.975 23 H HIS 0 H HIS 0 11.037 -7.080 2.433 24 HA HIS 0 HA HIS 0 10.969 -5.825 -0.232 25 HD1 HIS 0 HD1 HIS 0 13.132 -4.750 -1.586 26 HD2 HIS 0 HD2 HIS 0 14.465 -5.408 2.293 27 HE1 HIS 0 HE1 HIS 0 14.510 -2.731 -0.997 28 HB2 HIS 0 HB2 HIS 0 13.136 -7.447 1.084 29 HB3 HIS 0 HB3 HIS 0 13.033 -7.309 -0.669 30 H HIS 1 H HIS 1 10.425 -7.115 -1.974 31 HA HIS 1 HA HIS 1 9.719 -9.908 -1.426 32 HD1 HIS 1 HD1 HIS 1 6.459 -9.124 -4.446 33 HD2 HIS 1 HD2 HIS 1 7.563 -11.594 -1.294 34 HE1 HIS 1 HE1 HIS 1 5.341 -11.330 -4.898 35 HB2 HIS 1 HB2 HIS 1 7.668 -8.537 -1.187 36 HB3 HIS 1 HB3 HIS 1 7.893 -7.945 -2.830 37 H HIS 2 H HIS 2 10.107 -11.296 -3.079 38 HA HIS 2 HA HIS 2 11.339 -10.146 -5.483 39 HD1 HIS 2 HD1 HIS 2 12.946 -14.419 -6.043 40 HD2 HIS 2 HD2 HIS 2 13.251 -10.366 -6.903 41 HE1 HIS 2 HE1 HIS 2 14.354 -14.277 -8.122 42 HB2 HIS 2 HB2 HIS 2 12.613 -11.792 -4.025 43 HB3 HIS 2 HB3 HIS 2 11.481 -13.023 -4.578 44 H HIS 3 H HIS 3 10.509 -10.460 -7.469 45 HA HIS 3 HA HIS 3 8.089 -12.130 -7.668 46 HD1 HIS 3 HD1 HIS 3 7.299 -9.409 -11.308 47 HD2 HIS 3 HD2 HIS 3 5.760 -12.143 -8.583 48 HE1 HIS 3 HE1 HIS 3 5.219 -10.330 -12.381 49 HB2 HIS 3 HB2 HIS 3 7.731 -9.675 -7.963 50 HB3 HIS 3 HB3 HIS 3 8.801 -9.726 -9.361 51 H HIS 4 H HIS 4 8.450 -13.958 -8.726 52 HA HIS 4 HA HIS 4 10.349 -13.926 -10.980 53 HD1 HIS 4 HD1 HIS 4 12.458 -15.249 -11.568 54 HD2 HIS 4 HD2 HIS 4 10.119 -18.530 -10.553 55 HE1 HIS 4 HE1 HIS 4 13.266 -17.128 -13.030 56 HB2 HIS 4 HB2 HIS 4 11.123 -15.287 -9.061 57 HB3 HIS 4 HB3 HIS 4 9.660 -16.260 -9.180 58 H HIS 5 H HIS 5 9.824 -15.130 -12.835 59 HA HIS 5 HA HIS 5 7.098 -16.191 -12.998 60 HD1 HIS 5 HD1 HIS 5 8.878 -12.318 -13.755 61 HD2 HIS 5 HD2 HIS 5 8.942 -14.939 -16.978 62 HE1 HIS 5 HE1 HIS 5 10.664 -11.445 -15.296 63 HB2 HIS 5 HB2 HIS 5 6.769 -15.028 -15.175 64 HB3 HIS 5 HB3 HIS 5 6.887 -13.922 -13.809 65 H SER 6 H SER 6 6.744 -17.582 -14.851 66 HA SER 6 HA SER 6 9.244 -18.692 -15.948 67 HG SER 6 HG SER 6 8.258 -22.032 -15.500 68 HB2 SER 6 HB2 SER 6 8.305 -20.182 -14.219 69 HB3 SER 6 HB3 SER 6 6.784 -20.248 -15.110 70 H SER 7 H SER 7 9.181 -19.479 -18.061 71 HA SER 7 HA SER 7 6.971 -18.411 -19.661 72 HG SER 7 HG SER 7 9.810 -16.993 -21.060 73 HB2 SER 7 HB2 SER 7 9.823 -19.136 -20.295 74 HB3 SER 7 HB3 SER 7 8.632 -18.924 -21.578 75 H GLY 8 H GLY 8 5.432 -20.029 -19.421 76 HA2 GLY 8 HA2 GLY 8 6.120 -22.785 -19.997 77 HA3 GLY 8 HA3 GLY 8 4.530 -22.172 -19.572 78 H LEU 9 H LEU 9 3.078 -21.733 -21.155 79 HA LEU 9 HA LEU 9 3.982 -22.200 -23.919 80 HG LEU 9 HG LEU 9 3.306 -24.482 -22.539 81 HB2 LEU 9 HB2 LEU 9 1.331 -22.747 -22.602 82 HB3 LEU 9 HB3 LEU 9 1.591 -22.837 -24.343 83 HD11 LEU 9 HD11 LEU 9 1.363 -26.239 -23.121 84 HD12 LEU 9 HD12 LEU 9 0.396 -24.779 -22.913 85 HD13 LEU 9 HD13 LEU 9 1.440 -25.339 -21.606 86 HD21 LEU 9 HD21 LEU 9 2.205 -25.658 -24.956 87 HD22 LEU 9 HD22 LEU 9 3.884 -25.487 -24.442 88 HD23 LEU 9 HD23 LEU 9 3.076 -24.156 -25.271 89 H VAL 10 H VAL 10 1.209 -20.642 -22.300 90 HA VAL 10 HA VAL 10 1.594 -18.330 -24.090 91 HB VAL 10 HB VAL 10 -0.917 -17.970 -23.765 92 HG11 VAL 10 HG11 VAL 10 0.545 -19.360 -25.665 93 HG12 VAL 10 HG12 VAL 10 -0.824 -20.416 -25.312 94 HG13 VAL 10 HG13 VAL 10 -1.102 -18.756 -25.840 95 HG21 VAL 10 HG21 VAL 10 -2.264 -19.873 -23.201 96 HG22 VAL 10 HG22 VAL 10 -0.836 -20.900 -23.062 97 HG23 VAL 10 HG23 VAL 10 -1.109 -19.606 -21.895 98 HA PRO 11 HA PRO 11 1.812 -15.721 -20.567 99 HB2 PRO 11 HB2 PRO 11 0.606 -13.469 -21.488 100 HB3 PRO 11 HB3 PRO 11 2.211 -13.986 -22.019 101 HG2 PRO 11 HG2 PRO 11 -0.436 -14.336 -23.373 102 HG3 PRO 11 HG3 PRO 11 1.124 -13.865 -24.071 103 HD2 PRO 11 HD2 PRO 11 0.148 -16.384 -24.253 104 HD3 PRO 11 HD3 PRO 11 1.887 -16.038 -24.154 105 H ARG 12 H ARG 12 0.673 -15.227 -18.754 106 HA ARG 12 HA ARG 12 -2.208 -14.915 -18.846 107 HE ARG 12 HE ARG 12 -0.962 -19.231 -18.816 108 HB2 ARG 12 HB2 ARG 12 -0.861 -17.353 -17.814 109 HB3 ARG 12 HB3 ARG 12 -2.182 -16.707 -16.849 110 HG2 ARG 12 HG2 ARG 12 -3.701 -16.904 -18.703 111 HG3 ARG 12 HG3 ARG 12 -2.387 -17.398 -19.772 112 HD2 ARG 12 HD2 ARG 12 -3.269 -18.916 -17.321 113 HD3 ARG 12 HD3 ARG 12 -3.781 -19.287 -18.966 114 HH11 ARG 12 HH11 ARG 12 -3.705 -21.161 -17.880 115 HH12 ARG 12 HH12 ARG 12 -2.826 -22.654 -17.899 116 HH21 ARG 12 HH21 ARG 12 0.206 -21.191 -18.844 117 HH22 ARG 12 HH22 ARG 12 -0.602 -22.670 -18.447 118 H GLY 13 H GLY 13 -2.992 -14.806 -16.387 119 HA2 GLY 13 HA2 GLY 13 -2.368 -14.103 -14.157 120 HA3 GLY 13 HA3 GLY 13 -0.978 -13.288 -14.860 121 H SER 14 H SER 14 -1.990 -11.584 -13.388 122 HA SER 14 HA SER 14 -4.390 -10.306 -13.999 123 HG SER 14 HG SER 14 -2.926 -10.423 -11.243 124 HB2 SER 14 HB2 SER 14 -1.836 -9.341 -12.728 125 HB3 SER 14 HB3 SER 14 -3.205 -8.255 -12.969 126 H HIS 15 H HIS 15 -4.826 -9.870 -16.099 127 HA HIS 15 HA HIS 15 -3.568 -7.606 -17.296 128 HD1 HIS 15 HD1 HIS 15 -0.286 -10.400 -18.319 129 HD2 HIS 15 HD2 HIS 15 -1.749 -6.513 -18.241 130 HE1 HIS 15 HE1 HIS 15 1.741 -8.923 -18.139 131 HB2 HIS 15 HB2 HIS 15 -2.777 -10.323 -18.152 132 HB3 HIS 15 HB3 HIS 15 -3.177 -9.203 -19.451 133 H MET 16 H MET 16 -4.409 -7.513 -19.750 134 HA MET 16 HA MET 16 -7.303 -7.927 -19.542 135 HB2 MET 16 HB2 MET 16 -5.724 -6.183 -21.440 136 HB3 MET 16 HB3 MET 16 -7.478 -6.266 -21.345 137 HG2 MET 16 HG2 MET 16 -7.140 -4.419 -20.084 138 HG3 MET 16 HG3 MET 16 -7.006 -5.642 -18.821 139 HE1 MET 16 HE1 MET 16 -4.004 -4.323 -17.156 140 HE2 MET 16 HE2 MET 16 -5.678 -3.779 -17.273 141 HE3 MET 16 HE3 MET 16 -5.318 -5.501 -17.147 142 H SER 17 H SER 17 -8.143 -7.935 -22.086 143 HA SER 17 HA SER 17 -7.089 -10.479 -23.090 144 HG SER 17 HG SER 17 -9.637 -11.208 -22.088 145 HB2 SER 17 HB2 SER 17 -9.647 -9.123 -23.947 146 HB3 SER 17 HB3 SER 17 -9.196 -10.815 -24.154 147 H VAL 18 H VAL 18 -6.144 -10.676 -25.036 148 HA VAL 18 HA VAL 18 -5.526 -8.246 -26.494 149 HB VAL 18 HB VAL 18 -4.649 -10.959 -27.402 150 HG11 VAL 18 HG11 VAL 18 -4.071 -9.003 -28.739 151 HG12 VAL 18 HG12 VAL 18 -3.303 -8.260 -27.334 152 HG13 VAL 18 HG13 VAL 18 -2.630 -9.733 -28.033 153 HG21 VAL 18 HG21 VAL 18 -3.578 -9.469 -25.011 154 HG22 VAL 18 HG22 VAL 18 -4.245 -11.101 -25.052 155 HG23 VAL 18 HG23 VAL 18 -2.704 -10.759 -25.839 156 H ASP 19 H ASP 19 -7.636 -10.967 -26.768 157 HA ASP 19 HA ASP 19 -8.065 -10.861 -29.576 158 HB2 ASP 19 HB2 ASP 19 -8.643 -12.738 -27.852 159 HB3 ASP 19 HB3 ASP 19 -10.147 -11.843 -27.653 160 H ASP 20 H ASP 20 -8.897 -8.746 -27.121 161 HA ASP 20 HA ASP 20 -11.303 -7.779 -28.486 162 HB2 ASP 20 HB2 ASP 20 -11.227 -8.143 -25.962 163 HB3 ASP 20 HB3 ASP 20 -10.167 -6.737 -25.893 164 H ILE 21 H ILE 21 -8.483 -7.457 -29.446 165 HA ILE 21 HA ILE 21 -8.147 -4.555 -29.292 166 HB ILE 21 HB ILE 21 -6.357 -6.689 -30.458 167 HG12 ILE 21 HG12 ILE 21 -6.061 -4.936 -28.009 168 HG13 ILE 21 HG13 ILE 21 -6.457 -6.651 -27.999 169 HG21 ILE 21 HG21 ILE 21 -6.099 -4.673 -31.747 170 HG22 ILE 21 HG22 ILE 21 -5.965 -3.706 -30.279 171 HG23 ILE 21 HG23 ILE 21 -4.698 -4.862 -30.692 172 HD11 ILE 21 HD11 ILE 21 -3.879 -5.360 -28.833 173 HD12 ILE 21 HD12 ILE 21 -4.161 -6.458 -27.483 174 HD13 ILE 21 HD13 ILE 21 -4.261 -7.054 -29.141 175 H ILE 22 H ILE 22 -8.270 -3.209 -31.047 176 HA ILE 22 HA ILE 22 -9.561 -4.346 -33.424 177 HB ILE 22 HB ILE 22 -10.352 -2.127 -33.930 178 HG12 ILE 22 HG12 ILE 22 -8.753 -1.229 -31.522 179 HG13 ILE 22 HG13 ILE 22 -8.379 -0.863 -33.203 180 HG21 ILE 22 HG21 ILE 22 -11.455 -3.584 -32.136 181 HG22 ILE 22 HG22 ILE 22 -10.783 -2.437 -30.978 182 HG23 ILE 22 HG23 ILE 22 -11.917 -1.883 -32.210 183 HD11 ILE 22 HD11 ILE 22 -10.951 0.034 -32.959 184 HD12 ILE 22 HD12 ILE 22 -10.256 0.408 -31.382 185 HD13 ILE 22 HD13 ILE 22 -9.497 1.026 -32.849 186 H ILE 23 H ILE 23 -9.084 -2.590 -35.361 187 HA ILE 23 HA ILE 23 -6.229 -2.940 -35.863 188 HB ILE 23 HB ILE 23 -8.263 -1.937 -37.842 189 HG12 ILE 23 HG12 ILE 23 -9.101 -4.050 -36.956 190 HG13 ILE 23 HG13 ILE 23 -8.506 -4.278 -38.597 191 HG21 ILE 23 HG21 ILE 23 -6.432 -3.442 -39.186 192 HG22 ILE 23 HG22 ILE 23 -6.358 -1.691 -38.997 193 HG23 ILE 23 HG23 ILE 23 -5.447 -2.735 -37.906 194 HD11 ILE 23 HD11 ILE 23 -6.996 -4.975 -36.090 195 HD12 ILE 23 HD12 ILE 23 -7.879 -6.113 -37.107 196 HD13 ILE 23 HD13 ILE 23 -6.470 -5.267 -37.748 197 H LYS 24 H LYS 24 -4.948 -1.233 -36.771 198 HA LYS 24 HA LYS 24 -4.085 0.871 -36.803 199 HB2 LYS 24 HB2 LYS 24 -6.977 1.752 -36.835 200 HB3 LYS 24 HB3 LYS 24 -5.587 2.724 -37.300 201 HG2 LYS 24 HG2 LYS 24 -6.612 0.265 -38.700 202 HG3 LYS 24 HG3 LYS 24 -6.717 1.932 -39.268 203 HD2 LYS 24 HD2 LYS 24 -4.190 1.981 -39.197 204 HD3 LYS 24 HD3 LYS 24 -4.251 0.235 -38.944 205 HE2 LYS 24 HE2 LYS 24 -3.926 0.654 -41.282 206 HE3 LYS 24 HE3 LYS 24 -5.561 0.038 -41.048 207 HZ1 LYS 24 HZ1 LYS 24 -4.843 2.902 -41.373 208 HZ2 LYS 24 HZ2 LYS 24 -6.408 2.283 -41.199 209 HZ3 LYS 24 HZ3 LYS 24 -5.502 1.917 -42.580 210 H CYS 25 H CYS 25 -4.559 -0.415 -34.272 211 HA CYS 25 HA CYS 25 -5.315 1.777 -32.494 212 HG CYS 25 HG CYS 25 -6.267 1.536 -30.207 213 HB2 CYS 25 HB2 CYS 25 -6.084 -0.676 -32.220 214 HB3 CYS 25 HB3 CYS 25 -4.461 -0.968 -31.607 215 H GLN 26 H GLN 26 -3.941 2.416 -30.735 216 HA GLN 26 HA GLN 26 -1.137 2.451 -31.521 217 HB2 GLN 26 HB2 GLN 26 -0.893 4.217 -29.847 218 HB3 GLN 26 HB3 GLN 26 -2.215 4.574 -30.950 219 HG2 GLN 26 HG2 GLN 26 -3.611 3.354 -29.048 220 HG3 GLN 26 HG3 GLN 26 -2.269 3.934 -28.063 221 HE21 GLN 26 HE21 GLN 26 -5.116 4.707 -28.139 222 HE22 GLN 26 HE22 GLN 26 -5.121 6.415 -28.394 223 H CYS 27 H CYS 27 0.349 1.191 -30.624 224 HA CYS 27 HA CYS 27 -0.187 0.060 -27.959 225 HG CYS 27 HG CYS 27 -1.133 -2.483 -27.806 226 HB2 CYS 27 HB2 CYS 27 0.634 -1.293 -30.484 227 HB3 CYS 27 HB3 CYS 27 1.325 -1.884 -28.978 228 H TRP 28 H TRP 28 1.299 0.597 -26.515 229 HA TRP 28 HA TRP 28 3.744 1.881 -27.330 230 HD1 TRP 28 HD1 TRP 28 0.760 3.436 -25.199 231 HE1 TRP 28 HE1 TRP 28 1.156 5.969 -25.431 232 HE3 TRP 28 HE3 TRP 28 5.855 3.426 -25.613 233 HZ2 TRP 28 HZ2 TRP 28 3.339 7.729 -25.748 234 HZ3 TRP 28 HZ3 TRP 28 7.021 5.577 -25.879 235 HH2 TRP 28 HH2 TRP 28 5.787 7.683 -25.945 236 HB2 TRP 28 HB2 TRP 28 2.333 1.393 -24.752 237 HB3 TRP 28 HB3 TRP 28 4.067 1.693 -24.689 238 H VAL 29 H VAL 29 5.713 1.008 -27.491 239 HA VAL 29 HA VAL 29 6.014 -1.829 -26.812 240 HB VAL 29 HB VAL 29 7.872 -0.129 -28.476 241 HG11 VAL 29 HG11 VAL 29 7.700 -3.032 -28.889 242 HG12 VAL 29 HG12 VAL 29 9.111 -1.974 -28.819 243 HG13 VAL 29 HG13 VAL 29 8.354 -2.538 -27.328 244 HG21 VAL 29 HG21 VAL 29 5.401 -1.638 -29.201 245 HG22 VAL 29 HG22 VAL 29 5.977 -0.075 -29.782 246 HG23 VAL 29 HG23 VAL 29 6.738 -1.562 -30.349 247 H GLN 30 H GLN 30 6.862 -2.217 -24.878 248 HA GLN 30 HA GLN 30 8.602 -0.287 -23.597 249 HB2 GLN 30 HB2 GLN 30 6.895 -1.381 -22.253 250 HB3 GLN 30 HB3 GLN 30 7.549 -2.961 -22.662 251 HG2 GLN 30 HG2 GLN 30 9.541 -2.538 -21.421 252 HG3 GLN 30 HG3 GLN 30 9.086 -0.854 -21.167 253 HE21 GLN 30 HE21 GLN 30 8.992 -3.974 -19.931 254 HE22 GLN 30 HE22 GLN 30 7.885 -3.702 -18.633 255 H LYS 31 H LYS 31 10.602 -0.270 -24.468 256 HA LYS 31 HA LYS 31 11.947 -2.676 -25.278 257 HB2 LYS 31 HB2 LYS 31 12.181 -0.068 -26.005 258 HB3 LYS 31 HB3 LYS 31 13.543 -0.221 -24.903 259 HG2 LYS 31 HG2 LYS 31 14.295 -0.653 -27.132 260 HG3 LYS 31 HG3 LYS 31 14.334 -2.163 -26.219 261 HD2 LYS 31 HD2 LYS 31 13.276 -2.972 -28.044 262 HD3 LYS 31 HD3 LYS 31 11.849 -2.299 -27.253 263 HE2 LYS 31 HE2 LYS 31 11.916 -1.637 -29.588 264 HE3 LYS 31 HE3 LYS 31 12.124 -0.231 -28.545 265 HZ1 LYS 31 HZ1 LYS 31 14.571 -1.543 -29.382 266 HZ2 LYS 31 HZ2 LYS 31 14.209 0.105 -29.268 267 HZ3 LYS 31 HZ3 LYS 31 13.702 -0.781 -30.616 268 H ASN 32 H ASN 32 14.174 -3.169 -24.464 269 HA ASN 32 HA ASN 32 14.158 -3.902 -21.808 270 HB2 ASN 32 HB2 ASN 32 15.724 -4.719 -23.621 271 HB3 ASN 32 HB3 ASN 32 16.673 -3.260 -23.355 272 HD21 ASN 32 HD21 ASN 32 17.717 -5.802 -23.043 273 HD22 ASN 32 HD22 ASN 32 18.083 -6.059 -21.374 274 H ASP 33 H ASP 33 16.124 -1.245 -23.157 275 HA ASP 33 HA ASP 33 15.855 0.132 -20.566 276 HB2 ASP 33 HB2 ASP 33 18.178 -0.887 -21.313 277 HB3 ASP 33 HB3 ASP 33 18.261 0.584 -22.279 278 H GLU 34 H GLU 34 14.432 0.295 -23.250 279 HA GLU 34 HA GLU 34 14.582 3.211 -23.462 280 HB2 GLU 34 HB2 GLU 34 14.887 1.252 -25.724 281 HB3 GLU 34 HB3 GLU 34 14.284 2.880 -26.003 282 HG2 GLU 34 HG2 GLU 34 16.312 3.855 -25.271 283 HG3 GLU 34 HG3 GLU 34 16.899 2.318 -24.637 284 H GLU 35 H GLU 35 12.730 3.884 -25.134 285 HA GLU 35 HA GLU 35 10.346 2.245 -24.683 286 HB2 GLU 35 HB2 GLU 35 10.735 4.197 -22.955 287 HB3 GLU 35 HB3 GLU 35 10.126 5.197 -24.267 288 HG2 GLU 35 HG2 GLU 35 8.028 4.226 -24.209 289 HG3 GLU 35 HG3 GLU 35 8.610 2.778 -23.390 290 H ARG 36 H ARG 36 9.140 2.077 -26.458 291 HA ARG 36 HA ARG 36 9.282 4.196 -28.485 292 HE ARG 36 HE ARG 36 12.826 1.952 -30.115 293 HB2 ARG 36 HB2 ARG 36 10.714 1.995 -28.875 294 HB3 ARG 36 HB3 ARG 36 9.161 1.363 -29.406 295 HG2 ARG 36 HG2 ARG 36 9.074 2.726 -31.241 296 HG3 ARG 36 HG3 ARG 36 10.092 3.965 -30.504 297 HD2 ARG 36 HD2 ARG 36 11.060 1.250 -31.391 298 HD3 ARG 36 HD3 ARG 36 11.200 2.724 -32.349 299 HH11 ARG 36 HH11 ARG 36 11.605 4.644 -31.954 300 HH12 ARG 36 HH12 ARG 36 12.904 5.702 -31.514 301 HH21 ARG 36 HH21 ARG 36 14.542 3.336 -29.528 302 HH22 ARG 36 HH22 ARG 36 14.574 4.957 -30.135 303 H LEU 37 H LEU 37 7.549 3.766 -30.232 304 HA LEU 37 HA LEU 37 5.147 2.539 -29.091 305 HG LEU 37 HG LEU 37 3.344 4.401 -31.026 306 HB2 LEU 37 HB2 LEU 37 4.866 4.796 -28.457 307 HB3 LEU 37 HB3 LEU 37 5.427 5.382 -30.021 308 HD11 LEU 37 HD11 LEU 37 3.002 3.560 -28.252 309 HD12 LEU 37 HD12 LEU 37 2.263 2.940 -29.728 310 HD13 LEU 37 HD13 LEU 37 1.586 4.361 -28.933 311 HD21 LEU 37 HD21 LEU 37 2.251 6.366 -30.749 312 HD22 LEU 37 HD22 LEU 37 3.784 6.833 -30.011 313 HD23 LEU 37 HD23 LEU 37 2.428 6.346 -28.993 314 H ALA 38 H ALA 38 3.811 1.600 -30.564 315 HA ALA 38 HA ALA 38 4.284 2.097 -33.412 316 HB1 ALA 38 HB1 ALA 38 5.595 0.230 -33.329 317 HB2 ALA 38 HB2 ALA 38 4.702 -0.474 -31.980 318 HB3 ALA 38 HB3 ALA 38 4.023 -0.520 -33.607 319 H GLU 39 H GLU 39 2.592 0.912 -34.763 320 HA GLU 39 HA GLU 39 0.005 1.003 -33.353 321 HB2 GLU 39 HB2 GLU 39 0.703 2.744 -35.244 322 HB3 GLU 39 HB3 GLU 39 0.141 1.451 -36.294 323 HG2 GLU 39 HG2 GLU 39 -2.035 1.509 -35.324 324 HG3 GLU 39 HG3 GLU 39 -1.501 2.617 -34.062 325 H ILE 40 H ILE 40 -1.724 -0.300 -34.413 326 HA ILE 40 HA ILE 40 -0.619 -2.896 -35.208 327 HB ILE 40 HB ILE 40 -3.459 -2.301 -34.385 328 HG12 ILE 40 HG12 ILE 40 -1.876 -1.702 -32.580 329 HG13 ILE 40 HG13 ILE 40 -2.867 -3.095 -32.158 330 HG21 ILE 40 HG21 ILE 40 -2.785 -4.910 -33.729 331 HG22 ILE 40 HG22 ILE 40 -3.774 -4.388 -35.091 332 HG23 ILE 40 HG23 ILE 40 -2.044 -4.651 -35.308 333 HD11 ILE 40 HD11 ILE 40 -1.028 -4.222 -31.694 334 HD12 ILE 40 HD12 ILE 40 -0.532 -4.087 -33.381 335 HD13 ILE 40 HD13 ILE 40 -0.035 -2.861 -32.214 336 H LEU 41 H LEU 41 -0.777 -3.589 -37.234 337 HA LEU 41 HA LEU 41 -2.550 -2.145 -39.074 338 HG LEU 41 HG LEU 41 0.525 -2.038 -38.474 339 HB2 LEU 41 HB2 LEU 41 -0.343 -4.040 -39.827 340 HB3 LEU 41 HB3 LEU 41 -1.140 -2.840 -40.842 341 HD11 LEU 41 HD11 LEU 41 1.617 -3.524 -40.423 342 HD12 LEU 41 HD12 LEU 41 2.475 -2.228 -39.591 343 HD13 LEU 41 HD13 LEU 41 1.733 -1.927 -41.163 344 HD21 LEU 41 HD21 LEU 41 0.536 -0.337 -40.808 345 HD22 LEU 41 HD22 LEU 41 0.087 0.036 -39.144 346 HD23 LEU 41 HD23 LEU 41 -1.108 -0.646 -40.247 347 H SER 42 H SER 42 -1.277 -5.473 -38.895 348 HA SER 42 HA SER 42 -3.999 -6.436 -39.487 349 HG SER 42 HG SER 42 -0.688 -7.644 -41.444 350 HB2 SER 42 HB2 SER 42 -2.641 -8.463 -40.461 351 HB3 SER 42 HB3 SER 42 -2.857 -7.003 -41.427 352 H ILE 43 H ILE 43 -4.306 -8.774 -38.823 353 HA ILE 43 HA ILE 43 -2.776 -9.485 -36.429 354 HB ILE 43 HB ILE 43 -5.794 -9.434 -36.472 355 HG12 ILE 43 HG12 ILE 43 -3.838 -7.616 -35.048 356 HG13 ILE 43 HG13 ILE 43 -4.874 -7.161 -36.397 357 HG21 ILE 43 HG21 ILE 43 -3.933 -10.844 -34.866 358 HG22 ILE 43 HG22 ILE 43 -4.679 -9.600 -33.865 359 HG23 ILE 43 HG23 ILE 43 -5.688 -10.775 -34.708 360 HD11 ILE 43 HD11 ILE 43 -5.440 -7.169 -33.597 361 HD12 ILE 43 HD12 ILE 43 -6.407 -6.544 -34.933 362 HD13 ILE 43 HD13 ILE 43 -6.569 -8.230 -34.440 363 H ASN 44 H ASN 44 -2.428 -11.624 -36.207 364 HA ASN 44 HA ASN 44 -3.936 -13.444 -37.966 365 HB2 ASN 44 HB2 ASN 44 -0.976 -13.311 -37.428 366 HB3 ASN 44 HB3 ASN 44 -1.738 -14.796 -37.991 367 HD21 ASN 44 HD21 ASN 44 0.229 -13.470 -39.424 368 HD22 ASN 44 HD22 ASN 44 -0.462 -12.851 -40.881 369 H THR 45 H THR 45 -4.813 -15.174 -37.014 370 HA THR 45 HA THR 45 -4.050 -15.737 -34.223 371 HB THR 45 HB THR 45 -6.347 -16.737 -34.007 372 HG1 THR 45 HG1 THR 45 -7.331 -16.995 -35.866 373 HG21 THR 45 HG21 THR 45 -5.616 -13.935 -34.192 374 HG22 THR 45 HG22 THR 45 -6.624 -14.759 -33.002 375 HG23 THR 45 HG23 THR 45 -7.331 -14.191 -34.515 376 H ARG 46 H ARG 46 -2.568 -16.878 -36.280 377 HA ARG 46 HA ARG 46 -3.566 -19.561 -36.738 378 HE ARG 46 HE ARG 46 -2.487 -22.219 -40.592 379 HB2 ARG 46 HB2 ARG 46 -2.225 -18.191 -38.420 380 HB3 ARG 46 HB3 ARG 46 -0.821 -18.516 -37.413 381 HG2 ARG 46 HG2 ARG 46 -0.662 -20.177 -38.987 382 HG3 ARG 46 HG3 ARG 46 -1.532 -21.002 -37.692 383 HD2 ARG 46 HD2 ARG 46 -3.476 -21.089 -38.869 384 HD3 ARG 46 HD3 ARG 46 -3.157 -19.577 -39.717 385 HH11 ARG 46 HH11 ARG 46 -1.588 -18.861 -40.776 386 HH12 ARG 46 HH12 ARG 46 -0.801 -19.020 -42.311 387 HH21 ARG 46 HH21 ARG 46 -1.454 -22.442 -42.613 388 HH22 ARG 46 HH22 ARG 46 -0.726 -21.058 -43.355 389 H LYS 47 H LYS 47 -1.473 -17.911 -34.542 390 HA LYS 47 HA LYS 47 -0.699 -20.498 -33.359 391 HB2 LYS 47 HB2 LYS 47 0.897 -18.128 -34.025 392 HB3 LYS 47 HB3 LYS 47 1.142 -18.708 -32.382 393 HG2 LYS 47 HG2 LYS 47 1.701 -20.920 -33.234 394 HG3 LYS 47 HG3 LYS 47 1.429 -20.360 -34.885 395 HD2 LYS 47 HD2 LYS 47 3.453 -19.135 -33.017 396 HD3 LYS 47 HD3 LYS 47 3.834 -20.421 -34.165 397 HE2 LYS 47 HE2 LYS 47 2.645 -17.754 -34.918 398 HE3 LYS 47 HE3 LYS 47 4.366 -18.132 -34.988 399 HZ1 LYS 47 HZ1 LYS 47 4.108 -19.297 -36.863 400 HZ2 LYS 47 HZ2 LYS 47 2.635 -18.479 -37.016 401 HZ3 LYS 47 HZ3 LYS 47 2.674 -20.033 -36.349 402 H ALA 48 H ALA 48 0.069 -20.030 -30.956 403 HA ALA 48 HA ALA 48 -1.803 -18.175 -29.666 404 HB1 ALA 48 HB1 ALA 48 -1.610 -21.129 -29.202 405 HB2 ALA 48 HB2 ALA 48 -2.173 -20.042 -27.931 406 HB3 ALA 48 HB3 ALA 48 -3.043 -20.133 -29.463 407 HA PRO 49 HA PRO 49 -1.964 -16.799 -28.315 408 HB2 PRO 49 HB2 PRO 49 -0.768 -14.375 -28.062 409 HB3 PRO 49 HB3 PRO 49 -1.231 -15.368 -26.674 410 HG2 PRO 49 HG2 PRO 49 1.451 -15.051 -27.967 411 HG3 PRO 49 HG3 PRO 49 1.039 -15.100 -26.243 412 HD2 PRO 49 HD2 PRO 49 2.040 -17.241 -27.563 413 HD3 PRO 49 HD3 PRO 49 0.898 -17.400 -26.213 414 HA PRO 50 HA PRO 50 -1.689 -15.584 -32.532 415 HB2 PRO 50 HB2 PRO 50 -3.197 -13.327 -32.607 416 HB3 PRO 50 HB3 PRO 50 -3.891 -14.940 -32.401 417 HG2 PRO 50 HG2 PRO 50 -3.295 -12.856 -30.336 418 HG3 PRO 50 HG3 PRO 50 -4.724 -13.893 -30.498 419 HD2 PRO 50 HD2 PRO 50 -2.731 -14.421 -28.742 420 HD3 PRO 50 HD3 PRO 50 -3.675 -15.703 -29.529 421 H LYS 51 H LYS 51 -0.867 -14.007 -34.029 422 HA LYS 51 HA LYS 51 1.141 -12.259 -32.801 423 HB2 LYS 51 HB2 LYS 51 1.020 -13.881 -35.229 424 HB3 LYS 51 HB3 LYS 51 1.618 -12.254 -35.525 425 HG2 LYS 51 HG2 LYS 51 3.600 -13.143 -34.986 426 HG3 LYS 51 HG3 LYS 51 3.045 -12.921 -33.325 427 HD2 LYS 51 HD2 LYS 51 2.647 -15.439 -34.939 428 HD3 LYS 51 HD3 LYS 51 3.956 -15.189 -33.782 429 HE2 LYS 51 HE2 LYS 51 1.928 -14.567 -32.194 430 HE3 LYS 51 HE3 LYS 51 1.049 -15.604 -33.316 431 HZ1 LYS 51 HZ1 LYS 51 2.870 -17.282 -32.897 432 HZ2 LYS 51 HZ2 LYS 51 1.802 -17.003 -31.615 433 HZ3 LYS 51 HZ3 LYS 51 3.347 -16.315 -31.593 434 H PHE 52 H PHE 52 1.597 -10.186 -33.953 435 HA PHE 52 HA PHE 52 -0.696 -9.015 -35.319 436 HD1 PHE 52 HD1 PHE 52 0.531 -9.531 -31.402 437 HD2 PHE 52 HD2 PHE 52 -3.049 -8.292 -33.342 438 HE1 PHE 52 HE1 PHE 52 -0.790 -10.854 -29.803 439 HE2 PHE 52 HE2 PHE 52 -4.376 -9.612 -31.745 440 HZ PHE 52 HZ PHE 52 -3.246 -10.897 -29.973 441 HB2 PHE 52 HB2 PHE 52 0.488 -7.612 -32.928 442 HB3 PHE 52 HB3 PHE 52 -0.980 -7.205 -33.810 443 H TYR 53 H TYR 53 -0.197 -7.220 -36.584 444 HA TYR 53 HA TYR 53 2.633 -6.960 -37.216 445 HD1 TYR 53 HD1 TYR 53 3.376 -4.779 -38.886 446 HD2 TYR 53 HD2 TYR 53 1.348 -8.045 -40.709 447 HE1 TYR 53 HE1 TYR 53 5.140 -4.913 -40.595 448 HE2 TYR 53 HE2 TYR 53 3.106 -8.189 -42.422 449 HH TYR 53 HH TYR 53 5.378 -7.557 -42.786 450 HB2 TYR 53 HB2 TYR 53 0.444 -7.107 -38.816 451 HB3 TYR 53 HB3 TYR 53 0.663 -5.362 -38.731 452 H VAL 54 H VAL 54 3.849 -5.354 -36.491 453 HA VAL 54 HA VAL 54 2.569 -3.072 -35.187 454 HB VAL 54 HB VAL 54 4.842 -2.554 -34.340 455 HG11 VAL 54 HG11 VAL 54 3.160 -4.122 -33.216 456 HG12 VAL 54 HG12 VAL 54 4.216 -5.430 -33.752 457 HG13 VAL 54 HG13 VAL 54 4.833 -4.185 -32.664 458 HG21 VAL 54 HG21 VAL 54 6.716 -3.653 -34.963 459 HG22 VAL 54 HG22 VAL 54 5.880 -5.196 -35.143 460 HG23 VAL 54 HG23 VAL 54 5.779 -3.984 -36.420 461 H HIS 55 H HIS 55 3.040 -0.930 -35.703 462 HA HIS 55 HA HIS 55 4.490 -0.487 -38.224 463 HD1 HIS 55 HD1 HIS 55 3.828 -0.836 -40.351 464 HD2 HIS 55 HD2 HIS 55 1.839 2.776 -39.840 465 HE1 HIS 55 HE1 HIS 55 3.930 0.310 -42.588 466 HB2 HIS 55 HB2 HIS 55 1.816 -0.406 -38.183 467 HB3 HIS 55 HB3 HIS 55 2.138 1.238 -37.640 468 H TYR 56 H TYR 56 5.195 1.765 -38.523 469 HA TYR 56 HA TYR 56 6.014 2.908 -35.951 470 HD1 TYR 56 HD1 TYR 56 6.663 1.905 -39.969 471 HD2 TYR 56 HD2 TYR 56 7.603 5.798 -38.535 472 HE1 TYR 56 HE1 TYR 56 6.526 2.777 -42.265 473 HE2 TYR 56 HE2 TYR 56 7.468 6.682 -40.826 474 HH TYR 56 HH TYR 56 5.994 5.439 -43.192 475 HB2 TYR 56 HB2 TYR 56 7.826 3.933 -37.099 476 HB3 TYR 56 HB3 TYR 56 7.721 2.290 -37.720 477 H VAL 57 H VAL 57 5.635 5.024 -35.398 478 HA VAL 57 HA VAL 57 3.690 6.452 -37.088 479 HB VAL 57 HB VAL 57 2.895 5.768 -34.822 480 HG11 VAL 57 HG11 VAL 57 3.809 6.576 -32.857 481 HG12 VAL 57 HG12 VAL 57 5.246 6.263 -33.832 482 HG13 VAL 57 HG13 VAL 57 4.633 7.909 -33.666 483 HG21 VAL 57 HG21 VAL 57 1.829 7.863 -34.317 484 HG22 VAL 57 HG22 VAL 57 3.081 8.756 -35.182 485 HG23 VAL 57 HG23 VAL 57 1.970 7.711 -36.068 486 H ASN 58 H ASN 58 6.715 6.694 -35.363 487 HA ASN 58 HA ASN 58 7.057 9.419 -36.434 488 HB2 ASN 58 HB2 ASN 58 6.982 9.606 -34.054 489 HB3 ASN 58 HB3 ASN 58 8.056 8.226 -33.846 490 HD21 ASN 58 HD21 ASN 58 7.941 11.454 -35.292 491 HD22 ASN 58 HD22 ASN 58 9.588 11.853 -34.953 492 H TYR 59 H TYR 59 9.282 7.052 -34.990 493 HA TYR 59 HA TYR 59 10.672 6.782 -37.543 494 HD1 TYR 59 HD1 TYR 59 12.379 8.623 -38.593 495 HD2 TYR 59 HD2 TYR 59 14.238 6.319 -35.537 496 HE1 TYR 59 HE1 TYR 59 14.353 8.320 -40.029 497 HE2 TYR 59 HE2 TYR 59 16.217 6.010 -36.964 498 HH TYR 59 HH TYR 59 16.231 6.878 -40.298 499 HB2 TYR 59 HB2 TYR 59 11.650 8.713 -36.154 500 HB3 TYR 59 HB3 TYR 59 12.244 7.464 -35.066 501 H ASN 60 H ASN 60 9.670 4.657 -37.282 502 HA ASN 60 HA ASN 60 11.479 2.849 -35.897 503 HB2 ASN 60 HB2 ASN 60 9.399 3.501 -34.433 504 HB3 ASN 60 HB3 ASN 60 8.547 2.380 -35.491 505 HD21 ASN 60 HD21 ASN 60 8.248 1.320 -33.355 506 HD22 ASN 60 HD22 ASN 60 9.452 0.188 -32.850 507 H LYS 61 H LYS 61 10.660 3.585 -38.681 508 HA LYS 61 HA LYS 61 9.107 1.616 -39.885 509 HB2 LYS 61 HB2 LYS 61 10.461 2.141 -41.953 510 HB3 LYS 61 HB3 LYS 61 9.708 3.524 -41.168 511 HG2 LYS 61 HG2 LYS 61 11.788 4.200 -40.208 512 HG3 LYS 61 HG3 LYS 61 12.577 2.717 -40.751 513 HD2 LYS 61 HD2 LYS 61 13.196 4.503 -42.234 514 HD3 LYS 61 HD3 LYS 61 12.119 3.403 -43.098 515 HE2 LYS 61 HE2 LYS 61 10.344 4.898 -43.042 516 HE3 LYS 61 HE3 LYS 61 11.016 5.798 -41.683 517 HZ1 LYS 61 HZ1 LYS 61 11.292 6.324 -44.420 518 HZ2 LYS 61 HZ2 LYS 61 12.825 5.951 -43.808 519 HZ3 LYS 61 HZ3 LYS 61 11.920 7.201 -43.116 520 H ARG 62 H ARG 62 12.490 1.578 -38.936 521 HA ARG 62 HA ARG 62 13.329 -0.706 -40.299 522 HE ARG 62 HE ARG 62 17.265 1.019 -36.930 523 HB2 ARG 62 HB2 ARG 62 15.167 -0.779 -38.797 524 HB3 ARG 62 HB3 ARG 62 14.764 0.920 -39.000 525 HG2 ARG 62 HG2 ARG 62 13.277 0.373 -36.842 526 HG3 ARG 62 HG3 ARG 62 14.571 -0.805 -36.617 527 HD2 ARG 62 HD2 ARG 62 15.249 2.024 -37.288 528 HD3 ARG 62 HD3 ARG 62 14.791 1.609 -35.637 529 HH11 ARG 62 HH11 ARG 62 15.007 -0.118 -34.536 530 HH12 ARG 62 HH12 ARG 62 16.199 -1.002 -33.643 531 HH21 ARG 62 HH21 ARG 62 18.843 -0.142 -35.762 532 HH22 ARG 62 HH22 ARG 62 18.381 -1.015 -34.341 533 H LEU 63 H LEU 63 11.285 -0.357 -37.533 534 HA LEU 63 HA LEU 63 11.380 -3.257 -37.049 535 HG LEU 63 HG LEU 63 11.313 -2.692 -33.458 536 HB2 LEU 63 HB2 LEU 63 11.395 -1.060 -35.298 537 HB3 LEU 63 HB3 LEU 63 9.812 -1.815 -35.123 538 HD11 LEU 63 HD11 LEU 63 10.919 -4.750 -35.624 539 HD12 LEU 63 HD12 LEU 63 9.667 -4.214 -34.504 540 HD13 LEU 63 HD13 LEU 63 11.097 -5.048 -33.895 541 HD21 LEU 63 HD21 LEU 63 13.198 -2.639 -35.641 542 HD22 LEU 63 HD22 LEU 63 13.170 -4.222 -34.863 543 HD23 LEU 63 HD23 LEU 63 13.488 -2.775 -33.906 544 H ASP 64 H ASP 64 9.892 -1.718 -39.174 545 HA ASP 64 HA ASP 64 7.110 -2.028 -38.468 546 HB2 ASP 64 HB2 ASP 64 7.721 -0.213 -39.951 547 HB3 ASP 64 HB3 ASP 64 8.459 -1.340 -41.086 548 H GLU 65 H GLU 65 7.456 -4.354 -37.913 549 HA GLU 65 HA GLU 65 6.851 -5.991 -40.263 550 HB2 GLU 65 HB2 GLU 65 8.377 -7.721 -39.666 551 HB3 GLU 65 HB3 GLU 65 9.288 -6.217 -39.677 552 HG2 GLU 65 HG2 GLU 65 8.984 -6.111 -37.199 553 HG3 GLU 65 HG3 GLU 65 8.290 -7.729 -37.279 554 H TRP 66 H TRP 66 6.597 -8.433 -39.083 555 HA TRP 66 HA TRP 66 4.324 -7.979 -37.288 556 HD1 TRP 66 HD1 TRP 66 6.745 -10.093 -40.088 557 HE1 TRP 66 HE1 TRP 66 7.642 -12.506 -40.122 558 HE3 TRP 66 HE3 TRP 66 3.232 -12.308 -37.106 559 HZ2 TRP 66 HZ2 TRP 66 6.952 -15.015 -39.029 560 HZ3 TRP 66 HZ3 TRP 66 3.422 -14.718 -36.650 561 HH2 TRP 66 HH2 TRP 66 5.244 -16.042 -37.593 562 HB2 TRP 66 HB2 TRP 66 3.467 -10.078 -37.995 563 HB3 TRP 66 HB3 TRP 66 4.061 -9.284 -39.451 564 H ILE 67 H ILE 67 4.265 -8.743 -35.247 565 HA ILE 67 HA ILE 67 6.321 -10.632 -34.369 566 HB ILE 67 HB ILE 67 6.750 -9.280 -32.330 567 HG12 ILE 67 HG12 ILE 67 5.663 -6.872 -33.725 568 HG13 ILE 67 HG13 ILE 67 4.542 -7.912 -32.854 569 HG21 ILE 67 HG21 ILE 67 7.522 -7.434 -34.489 570 HG22 ILE 67 HG22 ILE 67 8.518 -8.282 -33.306 571 HG23 ILE 67 HG23 ILE 67 7.945 -9.127 -34.744 572 HD11 ILE 67 HD11 ILE 67 5.992 -5.841 -31.794 573 HD12 ILE 67 HD12 ILE 67 5.200 -7.127 -30.884 574 HD13 ILE 67 HD13 ILE 67 6.908 -7.265 -31.302 575 H THR 68 H THR 68 5.866 -10.929 -31.805 576 HA THR 68 HA THR 68 3.059 -11.764 -31.683 577 HB THR 68 HB THR 68 3.689 -13.321 -29.975 578 HG1 THR 68 HG1 THR 68 6.233 -12.032 -30.030 579 HG21 THR 68 HG21 THR 68 4.836 -13.333 -32.556 580 HG22 THR 68 HG22 THR 68 4.485 -14.715 -31.519 581 HG23 THR 68 HG23 THR 68 6.065 -13.937 -31.445 582 H THR 69 H THR 69 2.568 -11.981 -29.055 583 HA THR 69 HA THR 69 2.245 -9.221 -28.262 584 HB THR 69 HB THR 69 0.412 -10.900 -28.011 585 HG1 THR 69 HG1 THR 69 0.356 -9.020 -26.744 586 HG21 THR 69 HG21 THR 69 2.172 -12.629 -27.094 587 HG22 THR 69 HG22 THR 69 0.500 -12.666 -26.539 588 HG23 THR 69 HG23 THR 69 1.744 -11.912 -25.541 589 H ASP 70 H ASP 70 4.318 -11.867 -27.485 590 HA ASP 70 HA ASP 70 5.088 -11.268 -24.883 591 HB2 ASP 70 HB2 ASP 70 5.771 -13.304 -26.124 592 HB3 ASP 70 HB3 ASP 70 6.858 -12.320 -27.100 593 H ARG 71 H ARG 71 5.816 -9.642 -27.853 594 HA ARG 71 HA ARG 71 7.970 -8.090 -26.660 595 HE ARG 71 HE ARG 71 9.954 -7.074 -28.358 596 HB2 ARG 71 HB2 ARG 71 6.746 -8.015 -29.423 597 HB3 ARG 71 HB3 ARG 71 8.105 -7.027 -28.905 598 HG2 ARG 71 HG2 ARG 71 8.030 -10.028 -29.126 599 HG3 ARG 71 HG3 ARG 71 8.921 -8.903 -30.154 600 HD2 ARG 71 HD2 ARG 71 9.385 -9.441 -27.224 601 HD3 ARG 71 HD3 ARG 71 10.430 -9.910 -28.564 602 HH11 ARG 71 HH11 ARG 71 11.963 -9.744 -27.381 603 HH12 ARG 71 HH12 ARG 71 13.334 -8.750 -27.020 604 HH21 ARG 71 HH21 ARG 71 11.753 -5.754 -27.886 605 HH22 ARG 71 HH22 ARG 71 13.214 -6.480 -27.307 606 H ILE 72 H ILE 72 4.590 -7.852 -27.300 607 HA ILE 72 HA ILE 72 4.600 -4.961 -26.820 608 HB ILE 72 HB ILE 72 2.335 -6.769 -27.671 609 HG12 ILE 72 HG12 ILE 72 3.684 -4.633 -29.313 610 HG13 ILE 72 HG13 ILE 72 4.262 -6.296 -29.303 611 HG21 ILE 72 HG21 ILE 72 1.808 -4.046 -28.222 612 HG22 ILE 72 HG22 ILE 72 0.955 -5.124 -27.118 613 HG23 ILE 72 HG23 ILE 72 2.312 -4.159 -26.536 614 HD11 ILE 72 HD11 ILE 72 2.889 -6.465 -31.073 615 HD12 ILE 72 HD12 ILE 72 1.671 -6.724 -29.825 616 HD13 ILE 72 HD13 ILE 72 1.866 -5.127 -30.548 617 H ASN 73 H ASN 73 4.363 -4.285 -24.803 618 HA ASN 73 HA ASN 73 3.573 -5.979 -22.672 619 HB2 ASN 73 HB2 ASN 73 5.005 -3.726 -22.755 620 HB3 ASN 73 HB3 ASN 73 3.445 -3.023 -22.337 621 HD21 ASN 73 HD21 ASN 73 2.302 -4.581 -20.614 622 HD22 ASN 73 HD22 ASN 73 3.281 -4.873 -19.220 623 H LEU 74 H LEU 74 1.584 -6.603 -22.184 624 HA LEU 74 HA LEU 74 -0.718 -5.290 -23.298 625 HG LEU 74 HG LEU 74 -2.695 -8.311 -22.495 626 HB2 LEU 74 HB2 LEU 74 -0.255 -7.831 -22.721 627 HB3 LEU 74 HB3 LEU 74 -0.963 -7.360 -21.177 628 HD11 LEU 74 HD11 LEU 74 -2.890 -5.303 -22.539 629 HD12 LEU 74 HD12 LEU 74 -3.378 -6.375 -21.226 630 HD13 LEU 74 HD13 LEU 74 -4.244 -6.411 -22.762 631 HD21 LEU 74 HD21 LEU 74 -1.621 -8.120 -24.680 632 HD22 LEU 74 HD22 LEU 74 -1.907 -6.379 -24.675 633 HD23 LEU 74 HD23 LEU 74 -3.271 -7.497 -24.724 634 H ASP 75 H ASP 75 0.223 -3.296 -21.988 635 HA ASP 75 HA ASP 75 -1.084 -3.228 -19.352 636 HB2 ASP 75 HB2 ASP 75 1.282 -1.790 -20.494 637 HB3 ASP 75 HB3 ASP 75 0.357 -1.038 -19.197 638 H LYS 76 H LYS 76 -2.417 -2.922 -21.951 639 HA LYS 76 HA LYS 76 -3.081 -0.109 -22.142 640 HB2 LYS 76 HB2 LYS 76 -3.054 -2.146 -23.963 641 HB3 LYS 76 HB3 LYS 76 -4.768 -2.046 -23.582 642 HG2 LYS 76 HG2 LYS 76 -4.688 -0.563 -25.294 643 HG3 LYS 76 HG3 LYS 76 -4.327 0.536 -23.960 644 HD2 LYS 76 HD2 LYS 76 -1.851 -0.126 -24.464 645 HD3 LYS 76 HD3 LYS 76 -2.499 -0.599 -26.036 646 HE2 LYS 76 HE2 LYS 76 -3.121 1.572 -26.572 647 HE3 LYS 76 HE3 LYS 76 -3.134 2.090 -24.888 648 HZ1 LYS 76 HZ1 LYS 76 -0.580 1.452 -25.159 649 HZ2 LYS 76 HZ2 LYS 76 -1.178 2.999 -25.493 650 HZ3 LYS 76 HZ3 LYS 76 -0.912 1.905 -26.755 651 H GLU 77 H GLU 77 -5.733 -0.042 -22.656 652 HA GLU 77 HA GLU 77 -7.004 -1.090 -20.216 653 HB2 GLU 77 HB2 GLU 77 -8.118 0.964 -19.817 654 HB3 GLU 77 HB3 GLU 77 -6.431 1.373 -20.101 655 HG2 GLU 77 HG2 GLU 77 -7.170 1.757 -22.541 656 HG3 GLU 77 HG3 GLU 77 -8.799 1.812 -21.870 657 H VAL 78 H VAL 78 -9.130 -1.741 -20.389 658 HA VAL 78 HA VAL 78 -10.005 -2.481 -23.015 659 HB VAL 78 HB VAL 78 -10.381 -3.928 -21.045 660 HG11 VAL 78 HG11 VAL 78 -11.494 -3.294 -19.203 661 HG12 VAL 78 HG12 VAL 78 -11.188 -1.654 -19.779 662 HG13 VAL 78 HG13 VAL 78 -12.730 -2.439 -20.125 663 HG21 VAL 78 HG21 VAL 78 -12.371 -4.790 -21.824 664 HG22 VAL 78 HG22 VAL 78 -13.093 -3.197 -22.056 665 HG23 VAL 78 HG23 VAL 78 -11.876 -3.788 -23.188 666 H LEU 79 H LEU 79 -11.547 -1.586 -24.269 667 HA LEU 79 HA LEU 79 -12.679 0.962 -23.369 668 HG LEU 79 HG LEU 79 -12.705 2.658 -24.907 669 HB2 LEU 79 HB2 LEU 79 -11.363 0.511 -25.601 670 HB3 LEU 79 HB3 LEU 79 -12.940 -0.039 -26.163 671 HD11 LEU 79 HD11 LEU 79 -10.984 2.976 -26.404 672 HD12 LEU 79 HD12 LEU 79 -12.386 3.434 -27.370 673 HD13 LEU 79 HD13 LEU 79 -11.653 1.844 -27.580 674 HD21 LEU 79 HD21 LEU 79 -14.913 2.018 -25.388 675 HD22 LEU 79 HD22 LEU 79 -14.464 1.334 -26.951 676 HD23 LEU 79 HD23 LEU 79 -14.447 3.082 -26.716 677 H TYR 80 H TYR 80 -14.699 1.001 -22.665 678 HA TYR 80 HA TYR 80 -16.579 -1.035 -23.668 679 HD1 TYR 80 HD1 TYR 80 -18.195 -2.661 -22.375 680 HD2 TYR 80 HD2 TYR 80 -14.781 -1.592 -20.072 681 HE1 TYR 80 HE1 TYR 80 -17.830 -5.031 -21.828 682 HE2 TYR 80 HE2 TYR 80 -14.406 -3.959 -19.519 683 HH TYR 80 HH TYR 80 -16.567 -6.259 -19.720 684 HB2 TYR 80 HB2 TYR 80 -16.114 0.089 -20.954 685 HB3 TYR 80 HB3 TYR 80 -17.777 -0.274 -21.400 686 HA PRO 81 HA PRO 81 -18.196 2.965 -25.234 687 HB2 PRO 81 HB2 PRO 81 -19.253 1.887 -27.490 688 HB3 PRO 81 HB3 PRO 81 -17.560 2.376 -27.361 689 HG2 PRO 81 HG2 PRO 81 -18.768 -0.351 -27.109 690 HG3 PRO 81 HG3 PRO 81 -17.293 0.145 -27.959 691 HD2 PRO 81 HD2 PRO 81 -17.245 -1.012 -25.512 692 HD3 PRO 81 HD3 PRO 81 -16.042 0.189 -26.024 693 H LYS 82 H LYS 82 -19.961 3.513 -24.107 694 HA LYS 82 HA LYS 82 -22.185 1.639 -23.862 695 HB2 LYS 82 HB2 LYS 82 -23.011 3.050 -22.126 696 HB3 LYS 82 HB3 LYS 82 -21.277 2.896 -21.878 697 HG2 LYS 82 HG2 LYS 82 -21.449 5.128 -21.595 698 HG3 LYS 82 HG3 LYS 82 -21.280 5.115 -23.352 699 HD2 LYS 82 HD2 LYS 82 -23.571 5.458 -23.689 700 HD3 LYS 82 HD3 LYS 82 -23.977 4.975 -22.041 701 HE2 LYS 82 HE2 LYS 82 -22.654 7.011 -21.286 702 HE3 LYS 82 HE3 LYS 82 -22.677 7.521 -22.974 703 HZ1 LYS 82 HZ1 LYS 82 -25.249 7.018 -22.603 704 HZ2 LYS 82 HZ2 LYS 82 -24.559 8.533 -22.303 705 HZ3 LYS 82 HZ3 LYS 82 -24.834 7.461 -21.024 706 H LEU 83 H LEU 83 -24.385 2.344 -24.255 707 HA LEU 83 HA LEU 83 -24.530 4.198 -26.532 708 HG LEU 83 HG LEU 83 -24.251 1.582 -27.398 709 HB2 LEU 83 HB2 LEU 83 -26.138 1.807 -25.723 710 HB3 LEU 83 HB3 LEU 83 -26.827 3.021 -26.799 711 HD11 LEU 83 HD11 LEU 83 -25.874 -0.142 -27.249 712 HD12 LEU 83 HD12 LEU 83 -25.668 0.220 -28.962 713 HD13 LEU 83 HD13 LEU 83 -27.079 0.827 -28.096 714 HD21 LEU 83 HD21 LEU 83 -26.196 3.015 -29.202 715 HD22 LEU 83 HD22 LEU 83 -24.624 2.346 -29.642 716 HD23 LEU 83 HD23 LEU 83 -24.719 3.731 -28.554 717 H LYS 84 H LYS 84 -26.344 5.631 -26.694 718 HA LYS 84 HA LYS 84 -27.457 6.368 -24.066 719 HB2 LYS 84 HB2 LYS 84 -25.871 8.021 -25.041 720 HB3 LYS 84 HB3 LYS 84 -26.939 8.184 -26.428 721 HG2 LYS 84 HG2 LYS 84 -28.718 8.996 -24.943 722 HG3 LYS 84 HG3 LYS 84 -27.611 8.872 -23.573 723 HD2 LYS 84 HD2 LYS 84 -26.175 10.547 -24.493 724 HD3 LYS 84 HD3 LYS 84 -27.065 10.550 -26.018 725 HE2 LYS 84 HE2 LYS 84 -29.083 11.152 -24.417 726 HE3 LYS 84 HE3 LYS 84 -27.779 11.746 -23.390 727 HZ1 LYS 84 HZ1 LYS 84 -28.175 13.596 -24.618 728 HZ2 LYS 84 HZ2 LYS 84 -28.707 12.739 -25.977 729 HZ3 LYS 84 HZ3 LYS 84 -27.053 12.858 -25.647 730 H ALA 85 H ALA 85 -29.622 6.971 -23.932 731 HA ALA 85 HA ALA 85 -31.350 5.724 -25.852 732 HB1 ALA 85 HB1 ALA 85 -31.883 5.633 -23.487 733 HB2 ALA 85 HB2 ALA 85 -32.001 7.393 -23.426 734 HB3 ALA 85 HB3 ALA 85 -33.164 6.463 -24.371 735 H THR 86 H THR 86 -32.479 6.627 -27.468 736 HA THR 86 HA THR 86 -32.612 9.561 -27.626 737 HB THR 86 HB THR 86 -32.363 9.187 -30.188 738 HG1 THR 86 HG1 THR 86 -31.069 6.870 -29.140 739 HG21 THR 86 HG21 THR 86 -30.437 10.249 -29.834 740 HG22 THR 86 HG22 THR 86 -29.690 8.768 -29.237 741 HG23 THR 86 HG23 THR 86 -30.556 9.829 -28.125 742 H ASP 87 H ASP 87 -34.545 10.358 -28.214 743 HA ASP 87 HA ASP 87 -36.736 8.511 -28.569 744 HB2 ASP 87 HB2 ASP 87 -36.474 11.452 -28.118 745 HB3 ASP 87 HB3 ASP 87 -37.976 10.836 -28.800 746 H GLU 88 H GLU 88 -38.171 8.476 -30.339 747 HA GLU 88 HA GLU 88 -37.068 9.602 -32.828 748 HB2 GLU 88 HB2 GLU 88 -36.859 7.083 -32.547 749 HB3 GLU 88 HB3 GLU 88 -38.613 7.019 -32.650 750 HG2 GLU 88 HG2 GLU 88 -36.949 8.305 -34.785 751 HG3 GLU 88 HG3 GLU 88 -37.285 6.575 -34.774 752 H ASP 89 H ASP 89 -38.448 10.632 -34.180 753 HA ASP 89 HA ASP 89 -41.277 10.747 -33.360 754 HB2 ASP 89 HB2 ASP 89 -39.696 12.843 -33.166 755 HB3 ASP 89 HB3 ASP 89 -39.992 12.969 -34.898 Start of MODEL 10 1 HA MET -4 HA MET -4 20.030 -14.498 1.538 2 H1 MET -4 H1 MET -4 22.272 -16.341 1.084 3 HB2 MET -4 HB2 MET -4 22.406 -14.015 2.405 4 HB3 MET -4 HB3 MET -4 22.812 -13.688 0.725 5 HG2 MET -4 HG2 MET -4 20.479 -12.315 1.974 6 HG3 MET -4 HG3 MET -4 22.114 -11.752 2.312 7 HE1 MET -4 HE1 MET -4 22.479 -9.199 0.109 8 HE2 MET -4 HE2 MET -4 23.117 -10.243 1.379 9 HE3 MET -4 HE3 MET -4 23.666 -10.443 -0.285 10 H GLY -3 H GLY -3 18.705 -14.626 -0.191 11 HA2 GLY -3 HA2 GLY -3 19.929 -14.129 -2.832 12 HA3 GLY -3 HA3 GLY -3 18.658 -15.326 -2.627 13 H SER -2 H SER -2 17.059 -14.450 -3.835 14 HA SER -2 HA SER -2 16.446 -11.688 -3.919 15 HG SER -2 HG SER -2 14.614 -14.744 -3.944 16 HB2 SER -2 HB2 SER -2 14.663 -12.270 -5.326 17 HB3 SER -2 HB3 SER -2 15.830 -13.564 -5.602 18 H SER -1 H SER -1 14.032 -11.036 -3.450 19 HA SER -1 HA SER -1 13.498 -11.779 -0.651 20 HG SER -1 HG SER -1 11.365 -9.267 -0.593 21 HB2 SER -1 HB2 SER -1 14.142 -9.439 -0.887 22 HB3 SER -1 HB3 SER -1 12.893 -9.195 -2.109 23 H HIS 0 H HIS 0 12.050 -11.163 -3.796 24 HA HIS 0 HA HIS 0 9.354 -11.516 -2.999 25 HD1 HIS 0 HD1 HIS 0 7.821 -9.820 -4.077 26 HD2 HIS 0 HD2 HIS 0 11.261 -9.113 -6.298 27 HE1 HIS 0 HE1 HIS 0 7.855 -7.340 -4.493 28 HB2 HIS 0 HB2 HIS 0 10.747 -11.679 -5.667 29 HB3 HIS 0 HB3 HIS 0 9.017 -11.962 -5.498 30 H HIS 1 H HIS 1 11.414 -13.697 -4.936 31 HA HIS 1 HA HIS 1 10.712 -15.996 -3.412 32 HD1 HIS 1 HD1 HIS 1 10.564 -17.030 -7.535 33 HD2 HIS 1 HD2 HIS 1 8.030 -13.887 -6.552 34 HE1 HIS 1 HE1 HIS 1 10.066 -15.863 -9.707 35 HB2 HIS 1 HB2 HIS 1 9.427 -17.181 -5.143 36 HB3 HIS 1 HB3 HIS 1 8.586 -15.734 -4.593 37 H HIS 2 H HIS 2 12.091 -17.667 -3.804 38 HA HIS 2 HA HIS 2 14.481 -17.201 -5.151 39 HD1 HIS 2 HD1 HIS 2 16.568 -18.149 -5.126 40 HD2 HIS 2 HD2 HIS 2 14.910 -21.956 -4.998 41 HE1 HIS 2 HE1 HIS 2 18.388 -19.701 -5.903 42 HB2 HIS 2 HB2 HIS 2 14.203 -18.887 -3.368 43 HB3 HIS 2 HB3 HIS 2 13.249 -19.879 -4.467 44 H HIS 3 H HIS 3 15.320 -17.873 -7.116 45 HA HIS 3 HA HIS 3 13.579 -17.869 -9.317 46 HD1 HIS 3 HD1 HIS 3 17.472 -18.305 -11.756 47 HD2 HIS 3 HD2 HIS 3 13.442 -17.359 -11.403 48 HE1 HIS 3 HE1 HIS 3 16.708 -17.738 -14.084 49 HB2 HIS 3 HB2 HIS 3 16.136 -17.341 -9.153 50 HB3 HIS 3 HB3 HIS 3 16.327 -19.058 -9.495 51 H HIS 4 H HIS 4 12.825 -19.473 -10.664 52 HA HIS 4 HA HIS 4 12.790 -22.155 -9.498 53 HD1 HIS 4 HD1 HIS 4 10.747 -22.936 -8.427 54 HD2 HIS 4 HD2 HIS 4 9.124 -19.537 -10.180 55 HE1 HIS 4 HE1 HIS 4 8.997 -22.119 -6.816 56 HB2 HIS 4 HB2 HIS 4 11.071 -20.780 -11.557 57 HB3 HIS 4 HB3 HIS 4 10.979 -22.516 -11.272 58 H HIS 5 H HIS 5 13.946 -20.396 -12.260 59 HA HIS 5 HA HIS 5 15.313 -20.969 -13.986 60 HD1 HIS 5 HD1 HIS 5 16.030 -22.946 -10.114 61 HD2 HIS 5 HD2 HIS 5 18.146 -20.417 -12.643 62 HE1 HIS 5 HE1 HIS 5 17.435 -21.506 -8.605 63 HB2 HIS 5 HB2 HIS 5 15.796 -23.574 -12.539 64 HB3 HIS 5 HB3 HIS 5 16.858 -22.770 -13.692 65 H SER 6 H SER 6 12.566 -21.498 -14.244 66 HA SER 6 HA SER 6 12.660 -23.718 -16.160 67 HG SER 6 HG SER 6 11.058 -25.107 -13.219 68 HB2 SER 6 HB2 SER 6 10.248 -23.274 -14.407 69 HB3 SER 6 HB3 SER 6 10.635 -24.676 -15.403 70 H SER 7 H SER 7 11.145 -23.564 -17.884 71 HA SER 7 HA SER 7 9.423 -21.292 -18.148 72 HG SER 7 HG SER 7 11.882 -20.955 -21.154 73 HB2 SER 7 HB2 SER 7 10.565 -20.053 -19.793 74 HB3 SER 7 HB3 SER 7 11.812 -20.429 -18.605 75 H GLY 8 H GLY 8 8.072 -21.412 -19.981 76 HA2 GLY 8 HA2 GLY 8 8.153 -24.045 -21.311 77 HA3 GLY 8 HA3 GLY 8 6.685 -23.134 -20.988 78 H LEU 9 H LEU 9 5.948 -23.014 -23.072 79 HA LEU 9 HA LEU 9 7.653 -21.534 -24.966 80 HG LEU 9 HG LEU 9 8.445 -23.213 -26.488 81 HB2 LEU 9 HB2 LEU 9 5.712 -23.770 -25.357 82 HB3 LEU 9 HB3 LEU 9 5.993 -22.622 -26.664 83 HD11 LEU 9 HD11 LEU 9 7.323 -24.964 -24.412 84 HD12 LEU 9 HD12 LEU 9 8.951 -24.311 -24.594 85 HD13 LEU 9 HD13 LEU 9 8.463 -25.733 -25.517 86 HD21 LEU 9 HD21 LEU 9 6.681 -24.139 -28.129 87 HD22 LEU 9 HD22 LEU 9 6.797 -25.617 -27.174 88 HD23 LEU 9 HD23 LEU 9 8.227 -24.977 -27.984 89 H VAL 10 H VAL 10 4.177 -22.288 -24.818 90 HA VAL 10 HA VAL 10 3.538 -19.576 -25.607 91 HB VAL 10 HB VAL 10 2.265 -21.394 -26.599 92 HG11 VAL 10 HG11 VAL 10 2.349 -22.509 -24.060 93 HG12 VAL 10 HG12 VAL 10 0.651 -22.092 -24.299 94 HG13 VAL 10 HG13 VAL 10 1.475 -23.136 -25.458 95 HG21 VAL 10 HG21 VAL 10 1.119 -19.294 -26.407 96 HG22 VAL 10 HG22 VAL 10 -0.029 -20.587 -26.060 97 HG23 VAL 10 HG23 VAL 10 0.661 -19.643 -24.741 98 HA PRO 11 HA PRO 11 2.993 -18.091 -21.475 99 HB2 PRO 11 HB2 PRO 11 1.677 -15.800 -22.101 100 HB3 PRO 11 HB3 PRO 11 3.416 -16.006 -22.344 101 HG2 PRO 11 HG2 PRO 11 1.186 -16.236 -24.327 102 HG3 PRO 11 HG3 PRO 11 2.767 -15.454 -24.507 103 HD2 PRO 11 HD2 PRO 11 2.239 -17.917 -25.500 104 HD3 PRO 11 HD3 PRO 11 3.848 -17.448 -24.914 105 H ARG 12 H ARG 12 1.325 -17.702 -19.945 106 HA ARG 12 HA ARG 12 -1.417 -18.247 -20.815 107 HE ARG 12 HE ARG 12 -1.139 -21.503 -16.942 108 HB2 ARG 12 HB2 ARG 12 -1.723 -19.846 -18.945 109 HB3 ARG 12 HB3 ARG 12 -0.579 -20.415 -20.153 110 HG2 ARG 12 HG2 ARG 12 1.202 -19.376 -18.569 111 HG3 ARG 12 HG3 ARG 12 -0.081 -19.490 -17.362 112 HD2 ARG 12 HD2 ARG 12 0.660 -21.841 -19.068 113 HD3 ARG 12 HD3 ARG 12 1.568 -21.457 -17.607 114 HH11 ARG 12 HH11 ARG 12 1.335 -23.695 -18.033 115 HH12 ARG 12 HH12 ARG 12 0.631 -25.079 -17.264 116 HH21 ARG 12 HH21 ARG 12 -2.076 -23.317 -15.925 117 HH22 ARG 12 HH22 ARG 12 -1.309 -24.863 -16.066 118 H GLY 13 H GLY 13 -3.033 -17.699 -19.172 119 HA2 GLY 13 HA2 GLY 13 -3.071 -16.674 -16.795 120 HA3 GLY 13 HA3 GLY 13 -2.103 -15.422 -17.560 121 H SER 14 H SER 14 -4.366 -14.632 -16.371 122 HA SER 14 HA SER 14 -6.135 -14.039 -18.648 123 HG SER 14 HG SER 14 -7.850 -16.458 -16.876 124 HB2 SER 14 HB2 SER 14 -7.253 -14.205 -15.872 125 HB3 SER 14 HB3 SER 14 -8.070 -14.419 -17.421 126 H HIS 15 H HIS 15 -3.872 -12.585 -17.394 127 HA HIS 15 HA HIS 15 -5.100 -10.338 -16.043 128 HD1 HIS 15 HD1 HIS 15 -4.073 -11.102 -13.714 129 HD2 HIS 15 HD2 HIS 15 -0.939 -12.640 -15.966 130 HE1 HIS 15 HE1 HIS 15 -3.120 -12.982 -12.343 131 HB2 HIS 15 HB2 HIS 15 -2.251 -10.539 -17.016 132 HB3 HIS 15 HB3 HIS 15 -2.886 -9.497 -15.746 133 H MET 16 H MET 16 -3.769 -11.095 -19.208 134 HA MET 16 HA MET 16 -4.534 -8.408 -20.134 135 HB2 MET 16 HB2 MET 16 -3.060 -9.024 -22.133 136 HB3 MET 16 HB3 MET 16 -2.250 -8.692 -20.608 137 HG2 MET 16 HG2 MET 16 -1.967 -11.046 -20.193 138 HG3 MET 16 HG3 MET 16 -2.896 -11.443 -21.636 139 HE1 MET 16 HE1 MET 16 -1.447 -12.584 -23.413 140 HE2 MET 16 HE2 MET 16 0.310 -12.549 -23.264 141 HE3 MET 16 HE3 MET 16 -0.681 -13.053 -21.895 142 H SER 17 H SER 17 -5.490 -8.252 -22.281 143 HA SER 17 HA SER 17 -6.822 -10.685 -23.222 144 HG SER 17 HG SER 17 -9.077 -7.685 -23.648 145 HB2 SER 17 HB2 SER 17 -8.991 -9.735 -23.201 146 HB3 SER 17 HB3 SER 17 -8.308 -9.345 -21.622 147 H VAL 18 H VAL 18 -6.804 -10.862 -25.372 148 HA VAL 18 HA VAL 18 -5.611 -8.760 -26.947 149 HB VAL 18 HB VAL 18 -5.083 -11.174 -27.304 150 HG11 VAL 18 HG11 VAL 18 -7.468 -11.924 -27.010 151 HG12 VAL 18 HG12 VAL 18 -7.774 -11.331 -28.644 152 HG13 VAL 18 HG13 VAL 18 -6.614 -12.634 -28.380 153 HG21 VAL 18 HG21 VAL 18 -6.267 -10.053 -29.818 154 HG22 VAL 18 HG22 VAL 18 -4.889 -9.275 -29.039 155 HG23 VAL 18 HG23 VAL 18 -4.760 -10.943 -29.597 156 H ASP 19 H ASP 19 -8.721 -9.470 -25.972 157 HA ASP 19 HA ASP 19 -10.153 -8.810 -28.353 158 HB2 ASP 19 HB2 ASP 19 -11.124 -10.153 -26.502 159 HB3 ASP 19 HB3 ASP 19 -11.103 -8.717 -25.482 160 H ASP 20 H ASP 20 -8.319 -6.971 -26.264 161 HA ASP 20 HA ASP 20 -9.906 -4.540 -26.669 162 HB2 ASP 20 HB2 ASP 20 -7.648 -5.256 -24.818 163 HB3 ASP 20 HB3 ASP 20 -8.057 -3.571 -25.130 164 H ILE 21 H ILE 21 -8.288 -5.961 -28.751 165 HA ILE 21 HA ILE 21 -6.640 -3.654 -29.541 166 HB ILE 21 HB ILE 21 -5.950 -6.560 -29.987 167 HG12 ILE 21 HG12 ILE 21 -4.618 -4.428 -28.303 168 HG13 ILE 21 HG13 ILE 21 -5.515 -5.815 -27.694 169 HG21 ILE 21 HG21 ILE 21 -5.327 -5.200 -31.900 170 HG22 ILE 21 HG22 ILE 21 -4.505 -4.056 -30.840 171 HG23 ILE 21 HG23 ILE 21 -3.890 -5.700 -31.008 172 HD11 ILE 21 HD11 ILE 21 -2.945 -5.908 -29.257 173 HD12 ILE 21 HD12 ILE 21 -3.131 -6.185 -27.525 174 HD13 ILE 21 HD13 ILE 21 -3.848 -7.309 -28.680 175 H ILE 22 H ILE 22 -7.144 -2.831 -31.463 176 HA ILE 22 HA ILE 22 -8.647 -4.517 -33.356 177 HB ILE 22 HB ILE 22 -9.924 -2.598 -34.068 178 HG12 ILE 22 HG12 ILE 22 -8.372 -1.049 -31.982 179 HG13 ILE 22 HG13 ILE 22 -8.206 -0.877 -33.726 180 HG21 ILE 22 HG21 ILE 22 -10.719 -3.918 -32.132 181 HG22 ILE 22 HG22 ILE 22 -9.959 -2.745 -31.058 182 HG23 ILE 22 HG23 ILE 22 -11.284 -2.247 -32.109 183 HD11 ILE 22 HD11 ILE 22 -10.705 -0.293 -32.156 184 HD12 ILE 22 HD12 ILE 22 -9.546 0.909 -32.721 185 HD13 ILE 22 HD13 ILE 22 -10.467 -0.042 -33.886 186 H ILE 23 H ILE 23 -8.722 -2.999 -35.549 187 HA ILE 23 HA ILE 23 -5.963 -3.022 -36.422 188 HB ILE 23 HB ILE 23 -8.388 -2.278 -38.053 189 HG12 ILE 23 HG12 ILE 23 -8.684 -4.502 -37.020 190 HG13 ILE 23 HG13 ILE 23 -8.486 -4.610 -38.766 191 HG21 ILE 23 HG21 ILE 23 -6.877 -1.881 -39.631 192 HG22 ILE 23 HG22 ILE 23 -5.572 -2.447 -38.590 193 HG23 ILE 23 HG23 ILE 23 -6.459 -3.594 -39.594 194 HD11 ILE 23 HD11 ILE 23 -7.263 -6.345 -37.496 195 HD12 ILE 23 HD12 ILE 23 -6.228 -5.353 -38.522 196 HD13 ILE 23 HD13 ILE 23 -6.276 -5.071 -36.781 197 H LYS 24 H LYS 24 -4.805 -1.284 -37.218 198 HA LYS 24 HA LYS 24 -4.097 0.871 -37.394 199 HB2 LYS 24 HB2 LYS 24 -7.013 1.650 -37.389 200 HB3 LYS 24 HB3 LYS 24 -5.665 2.561 -38.056 201 HG2 LYS 24 HG2 LYS 24 -5.393 0.364 -39.514 202 HG3 LYS 24 HG3 LYS 24 -7.117 0.229 -39.163 203 HD2 LYS 24 HD2 LYS 24 -6.005 2.831 -40.122 204 HD3 LYS 24 HD3 LYS 24 -6.301 1.531 -41.279 205 HE2 LYS 24 HE2 LYS 24 -8.420 2.362 -39.331 206 HE3 LYS 24 HE3 LYS 24 -8.167 3.267 -40.823 207 HZ1 LYS 24 HZ1 LYS 24 -8.264 0.799 -41.780 208 HZ2 LYS 24 HZ2 LYS 24 -9.638 1.769 -41.602 209 HZ3 LYS 24 HZ3 LYS 24 -9.268 0.605 -40.433 210 H CYS 25 H CYS 25 -4.666 -0.366 -34.776 211 HA CYS 25 HA CYS 25 -5.358 1.966 -33.146 212 HG CYS 25 HG CYS 25 -6.606 1.943 -31.059 213 HB2 CYS 25 HB2 CYS 25 -6.277 -0.477 -32.827 214 HB3 CYS 25 HB3 CYS 25 -4.751 -0.728 -31.989 215 H GLN 26 H GLN 26 -4.029 2.388 -31.202 216 HA GLN 26 HA GLN 26 -1.192 2.216 -31.899 217 HB2 GLN 26 HB2 GLN 26 -0.881 4.015 -30.253 218 HB3 GLN 26 HB3 GLN 26 -2.064 4.452 -31.478 219 HG2 GLN 26 HG2 GLN 26 -3.647 3.362 -29.551 220 HG3 GLN 26 HG3 GLN 26 -2.375 4.118 -28.592 221 HE21 GLN 26 HE21 GLN 26 -3.321 5.884 -27.806 222 HE22 GLN 26 HE22 GLN 26 -4.083 7.112 -28.753 223 H CYS 27 H CYS 27 0.091 0.818 -30.906 224 HA CYS 27 HA CYS 27 -0.720 -0.196 -28.260 225 HG CYS 27 HG CYS 27 -2.364 -2.053 -29.010 226 HB2 CYS 27 HB2 CYS 27 0.002 -1.596 -30.702 227 HB3 CYS 27 HB3 CYS 27 1.025 -2.076 -29.354 228 H TRP 28 H TRP 28 0.667 0.093 -26.639 229 HA TRP 28 HA TRP 28 3.076 1.556 -27.037 230 HD1 TRP 28 HD1 TRP 28 -0.030 2.136 -24.088 231 HE1 TRP 28 HE1 TRP 28 -0.069 4.708 -24.007 232 HE3 TRP 28 HE3 TRP 28 4.670 3.077 -25.866 233 HZ2 TRP 28 HZ2 TRP 28 1.662 6.852 -24.616 234 HZ3 TRP 28 HZ3 TRP 28 5.401 5.416 -26.086 235 HH2 TRP 28 HH2 TRP 28 3.927 7.263 -25.474 236 HB2 TRP 28 HB2 TRP 28 1.691 0.345 -24.677 237 HB3 TRP 28 HB3 TRP 28 3.362 0.875 -24.510 238 H VAL 29 H VAL 29 5.062 0.841 -27.438 239 HA VAL 29 HA VAL 29 5.565 -2.045 -27.284 240 HB VAL 29 HB VAL 29 7.128 0.114 -28.707 241 HG11 VAL 29 HG11 VAL 29 7.920 -2.218 -29.822 242 HG12 VAL 29 HG12 VAL 29 8.782 -1.403 -28.515 243 HG13 VAL 29 HG13 VAL 29 7.670 -2.724 -28.151 244 HG21 VAL 29 HG21 VAL 29 6.258 -1.317 -30.712 245 HG22 VAL 29 HG22 VAL 29 5.004 -1.797 -29.569 246 HG23 VAL 29 HG23 VAL 29 5.217 -0.096 -29.980 247 H GLN 30 H GLN 30 6.556 -2.750 -25.519 248 HA GLN 30 HA GLN 30 8.145 -0.954 -23.890 249 HB2 GLN 30 HB2 GLN 30 6.483 -2.713 -23.024 250 HB3 GLN 30 HB3 GLN 30 7.734 -3.893 -23.390 251 HG2 GLN 30 HG2 GLN 30 9.250 -2.838 -21.850 252 HG3 GLN 30 HG3 GLN 30 8.099 -1.535 -21.557 253 HE21 GLN 30 HE21 GLN 30 9.190 -3.090 -19.527 254 HE22 GLN 30 HE22 GLN 30 7.931 -4.029 -18.808 255 H LYS 31 H LYS 31 10.135 -0.565 -24.647 256 HA LYS 31 HA LYS 31 11.667 -2.550 -26.050 257 HB2 LYS 31 HB2 LYS 31 11.682 0.206 -25.959 258 HB3 LYS 31 HB3 LYS 31 13.135 -0.217 -25.065 259 HG2 LYS 31 HG2 LYS 31 13.726 0.096 -27.352 260 HG3 LYS 31 HG3 LYS 31 13.837 -1.628 -26.987 261 HD2 LYS 31 HD2 LYS 31 11.774 -2.073 -28.095 262 HD3 LYS 31 HD3 LYS 31 11.414 -0.351 -28.246 263 HE2 LYS 31 HE2 LYS 31 12.164 -1.116 -30.374 264 HE3 LYS 31 HE3 LYS 31 13.457 -0.140 -29.677 265 HZ1 LYS 31 HZ1 LYS 31 14.759 -1.871 -30.126 266 HZ2 LYS 31 HZ2 LYS 31 13.454 -2.913 -30.400 267 HZ3 LYS 31 HZ3 LYS 31 14.018 -2.660 -28.826 268 H ASN 32 H ASN 32 13.939 -3.049 -25.374 269 HA ASN 32 HA ASN 32 14.019 -4.458 -23.008 270 HB2 ASN 32 HB2 ASN 32 15.643 -4.479 -25.033 271 HB3 ASN 32 HB3 ASN 32 16.516 -3.232 -24.148 272 HD21 ASN 32 HD21 ASN 32 14.979 -6.359 -23.460 273 HD22 ASN 32 HD22 ASN 32 16.288 -6.987 -22.524 274 H ASP 33 H ASP 33 15.796 -1.413 -23.566 275 HA ASP 33 HA ASP 33 15.437 -0.802 -20.704 276 HB2 ASP 33 HB2 ASP 33 17.819 -1.354 -21.688 277 HB3 ASP 33 HB3 ASP 33 17.741 0.312 -22.254 278 H GLU 34 H GLU 34 14.015 -0.046 -23.338 279 HA GLU 34 HA GLU 34 13.800 2.799 -22.680 280 HB2 GLU 34 HB2 GLU 34 14.214 1.700 -25.464 281 HB3 GLU 34 HB3 GLU 34 13.712 3.348 -25.117 282 HG2 GLU 34 HG2 GLU 34 16.239 2.206 -23.986 283 HG3 GLU 34 HG3 GLU 34 16.180 2.922 -25.595 284 H GLU 35 H GLU 35 11.934 3.688 -24.297 285 HA GLU 35 HA GLU 35 9.755 1.735 -24.392 286 HB2 GLU 35 HB2 GLU 35 9.724 4.344 -22.887 287 HB3 GLU 35 HB3 GLU 35 8.243 3.563 -23.425 288 HG2 GLU 35 HG2 GLU 35 8.647 1.665 -22.060 289 HG3 GLU 35 HG3 GLU 35 10.286 2.202 -21.692 290 H ARG 36 H ARG 36 8.606 1.881 -26.210 291 HA ARG 36 HA ARG 36 8.516 4.429 -27.654 292 HE ARG 36 HE ARG 36 11.609 5.000 -32.049 293 HB2 ARG 36 HB2 ARG 36 10.016 2.121 -28.466 294 HB3 ARG 36 HB3 ARG 36 8.707 2.391 -29.609 295 HG2 ARG 36 HG2 ARG 36 9.525 4.843 -29.603 296 HG3 ARG 36 HG3 ARG 36 11.005 4.169 -28.917 297 HD2 ARG 36 HD2 ARG 36 10.854 2.501 -30.902 298 HD3 ARG 36 HD3 ARG 36 9.780 3.709 -31.608 299 HH11 ARG 36 HH11 ARG 36 12.450 2.671 -29.602 300 HH12 ARG 36 HH12 ARG 36 14.129 3.100 -29.586 301 HH21 ARG 36 HH21 ARG 36 13.816 5.574 -32.037 302 HH22 ARG 36 HH22 ARG 36 14.904 4.752 -30.971 303 H LEU 37 H LEU 37 6.997 4.083 -29.674 304 HA LEU 37 HA LEU 37 4.687 2.464 -28.831 305 HG LEU 37 HG LEU 37 2.981 4.206 -31.055 306 HB2 LEU 37 HB2 LEU 37 4.052 4.649 -28.273 307 HB3 LEU 37 HB3 LEU 37 4.776 5.323 -29.732 308 HD11 LEU 37 HD11 LEU 37 2.540 2.772 -28.751 309 HD12 LEU 37 HD12 LEU 37 1.468 2.843 -30.150 310 HD13 LEU 37 HD13 LEU 37 1.196 3.915 -28.776 311 HD21 LEU 37 HD21 LEU 37 2.768 6.482 -29.294 312 HD22 LEU 37 HD22 LEU 37 1.190 5.749 -29.585 313 HD23 LEU 37 HD23 LEU 37 2.181 6.276 -30.945 314 H ALA 38 H ALA 38 3.453 1.541 -30.462 315 HA ALA 38 HA ALA 38 4.323 1.956 -33.229 316 HB1 ALA 38 HB1 ALA 38 4.030 -0.796 -32.038 317 HB2 ALA 38 HB2 ALA 38 4.570 -0.383 -33.666 318 HB3 ALA 38 HB3 ALA 38 5.575 0.022 -32.274 319 H GLU 39 H GLU 39 2.791 1.243 -34.818 320 HA GLU 39 HA GLU 39 0.049 1.277 -33.784 321 HB2 GLU 39 HB2 GLU 39 1.048 2.875 -35.631 322 HB3 GLU 39 HB3 GLU 39 0.691 1.520 -36.693 323 HG2 GLU 39 HG2 GLU 39 -1.154 3.011 -36.767 324 HG3 GLU 39 HG3 GLU 39 -1.656 1.578 -35.872 325 H ILE 40 H ILE 40 -1.541 -0.160 -34.623 326 HA ILE 40 HA ILE 40 -0.415 -2.761 -35.370 327 HB ILE 40 HB ILE 40 -3.170 -2.079 -34.337 328 HG12 ILE 40 HG12 ILE 40 -1.411 -1.781 -32.650 329 HG13 ILE 40 HG13 ILE 40 -2.425 -3.168 -32.267 330 HG21 ILE 40 HG21 ILE 40 -2.774 -4.766 -33.953 331 HG22 ILE 40 HG22 ILE 40 -3.726 -4.042 -35.248 332 HG23 ILE 40 HG23 ILE 40 -2.044 -4.487 -35.534 333 HD11 ILE 40 HD11 ILE 40 -0.712 -4.659 -33.167 334 HD12 ILE 40 HD12 ILE 40 0.305 -3.264 -33.527 335 HD13 ILE 40 HD13 ILE 40 -0.092 -3.659 -31.854 336 H LEU 41 H LEU 41 -0.727 -3.626 -37.321 337 HA LEU 41 HA LEU 41 -2.532 -2.230 -39.172 338 HG LEU 41 HG LEU 41 0.675 -1.926 -39.056 339 HB2 LEU 41 HB2 LEU 41 -0.205 -4.064 -39.725 340 HB3 LEU 41 HB3 LEU 41 -1.216 -3.309 -40.956 341 HD11 LEU 41 HD11 LEU 41 1.553 -1.167 -41.384 342 HD12 LEU 41 HD12 LEU 41 0.715 -2.606 -41.964 343 HD13 LEU 41 HD13 LEU 41 1.991 -2.756 -40.756 344 HD21 LEU 41 HD21 LEU 41 -0.747 -0.203 -39.223 345 HD22 LEU 41 HD22 LEU 41 -1.625 -0.930 -40.569 346 HD23 LEU 41 HD23 LEU 41 -0.126 -0.050 -40.867 347 H SER 42 H SER 42 -1.271 -5.557 -38.985 348 HA SER 42 HA SER 42 -4.040 -6.521 -39.292 349 HG SER 42 HG SER 42 -4.487 -7.861 -40.783 350 HB2 SER 42 HB2 SER 42 -2.289 -6.763 -41.265 351 HB3 SER 42 HB3 SER 42 -1.748 -8.146 -40.314 352 H ILE 43 H ILE 43 -4.378 -8.752 -38.501 353 HA ILE 43 HA ILE 43 -2.588 -9.418 -36.259 354 HB ILE 43 HB ILE 43 -5.568 -9.811 -36.135 355 HG12 ILE 43 HG12 ILE 43 -5.246 -7.430 -36.376 356 HG13 ILE 43 HG13 ILE 43 -5.613 -7.774 -34.689 357 HG21 ILE 43 HG21 ILE 43 -3.269 -10.157 -34.301 358 HG22 ILE 43 HG22 ILE 43 -4.780 -9.575 -33.602 359 HG23 ILE 43 HG23 ILE 43 -4.743 -11.112 -34.467 360 HD11 ILE 43 HD11 ILE 43 -3.796 -6.665 -34.110 361 HD12 ILE 43 HD12 ILE 43 -2.815 -7.871 -34.943 362 HD13 ILE 43 HD13 ILE 43 -3.363 -6.432 -35.804 363 H ASN 44 H ASN 44 -2.533 -11.642 -35.647 364 HA ASN 44 HA ASN 44 -3.549 -13.486 -37.707 365 HB2 ASN 44 HB2 ASN 44 -0.806 -13.173 -36.599 366 HB3 ASN 44 HB3 ASN 44 -1.366 -14.814 -36.905 367 HD21 ASN 44 HD21 ASN 44 -0.202 -11.916 -38.263 368 HD22 ASN 44 HD22 ASN 44 -0.248 -12.402 -39.920 369 H THR 45 H THR 45 -4.369 -15.423 -37.016 370 HA THR 45 HA THR 45 -4.265 -16.023 -34.146 371 HB THR 45 HB THR 45 -6.699 -16.613 -34.201 372 HG1 THR 45 HG1 THR 45 -6.489 -15.343 -36.735 373 HG21 THR 45 HG21 THR 45 -6.805 -14.651 -33.144 374 HG22 THR 45 HG22 THR 45 -7.163 -13.901 -34.699 375 HG23 THR 45 HG23 THR 45 -5.497 -13.990 -34.124 376 H ARG 46 H ARG 46 -3.054 -17.162 -36.622 377 HA ARG 46 HA ARG 46 -4.364 -19.670 -37.093 378 HE ARG 46 HE ARG 46 -0.154 -20.455 -38.896 379 HB2 ARG 46 HB2 ARG 46 -2.755 -18.311 -38.644 380 HB3 ARG 46 HB3 ARG 46 -1.488 -19.156 -37.764 381 HG2 ARG 46 HG2 ARG 46 -2.448 -21.300 -38.432 382 HG3 ARG 46 HG3 ARG 46 -3.723 -20.453 -39.311 383 HD2 ARG 46 HD2 ARG 46 -2.033 -21.129 -40.875 384 HD3 ARG 46 HD3 ARG 46 -1.973 -19.375 -40.702 385 HH11 ARG 46 HH11 ARG 46 -0.618 -20.276 -42.342 386 HH12 ARG 46 HH12 ARG 46 1.075 -20.341 -42.705 387 HH21 ARG 46 HH21 ARG 46 2.078 -20.542 -39.361 388 HH22 ARG 46 HH22 ARG 46 2.607 -20.494 -41.009 389 H LYS 47 H LYS 47 -1.344 -18.719 -35.461 390 HA LYS 47 HA LYS 47 -1.532 -21.198 -33.881 391 HB2 LYS 47 HB2 LYS 47 0.938 -19.900 -35.037 392 HB3 LYS 47 HB3 LYS 47 0.986 -21.163 -33.814 393 HG2 LYS 47 HG2 LYS 47 -0.392 -21.533 -36.455 394 HG3 LYS 47 HG3 LYS 47 1.321 -21.884 -36.215 395 HD2 LYS 47 HD2 LYS 47 -0.775 -23.060 -34.419 396 HD3 LYS 47 HD3 LYS 47 -0.370 -23.810 -35.965 397 HE2 LYS 47 HE2 LYS 47 1.729 -23.123 -33.930 398 HE3 LYS 47 HE3 LYS 47 0.850 -24.650 -33.880 399 HZ1 LYS 47 HZ1 LYS 47 1.877 -24.074 -36.484 400 HZ2 LYS 47 HZ2 LYS 47 2.071 -25.460 -35.533 401 HZ3 LYS 47 HZ3 LYS 47 3.106 -24.138 -35.324 402 H ALA 48 H ALA 48 -0.661 -21.091 -31.739 403 HA ALA 48 HA ALA 48 -0.740 -18.365 -30.637 404 HB1 ALA 48 HB1 ALA 48 -1.511 -21.033 -29.536 405 HB2 ALA 48 HB2 ALA 48 -1.080 -19.719 -28.441 406 HB3 ALA 48 HB3 ALA 48 -2.423 -19.524 -29.566 407 HA PRO 49 HA PRO 49 -0.420 -17.697 -28.388 408 HB2 PRO 49 HB2 PRO 49 1.163 -15.557 -27.854 409 HB3 PRO 49 HB3 PRO 49 1.046 -16.956 -26.781 410 HG2 PRO 49 HG2 PRO 49 3.144 -16.296 -28.811 411 HG3 PRO 49 HG3 PRO 49 3.339 -16.933 -27.168 412 HD2 PRO 49 HD2 PRO 49 3.477 -18.508 -29.366 413 HD3 PRO 49 HD3 PRO 49 2.850 -19.091 -27.810 414 HA PRO 50 HA PRO 50 -1.396 -15.149 -31.837 415 HB2 PRO 50 HB2 PRO 50 -2.613 -13.033 -30.650 416 HB3 PRO 50 HB3 PRO 50 -3.362 -14.629 -30.767 417 HG2 PRO 50 HG2 PRO 50 -1.926 -13.375 -28.459 418 HG3 PRO 50 HG3 PRO 50 -3.427 -14.319 -28.463 419 HD2 PRO 50 HD2 PRO 50 -1.039 -15.384 -27.761 420 HD3 PRO 50 HD3 PRO 50 -2.309 -16.332 -28.560 421 H LYS 51 H LYS 51 -0.680 -13.407 -33.039 422 HA LYS 51 HA LYS 51 1.300 -11.648 -31.750 423 HB2 LYS 51 HB2 LYS 51 2.440 -11.656 -34.045 424 HB3 LYS 51 HB3 LYS 51 2.621 -13.093 -33.048 425 HG2 LYS 51 HG2 LYS 51 0.358 -13.056 -34.954 426 HG3 LYS 51 HG3 LYS 51 1.984 -13.196 -35.627 427 HD2 LYS 51 HD2 LYS 51 2.192 -15.010 -33.685 428 HD3 LYS 51 HD3 LYS 51 0.448 -15.095 -33.943 429 HE2 LYS 51 HE2 LYS 51 1.967 -15.070 -36.428 430 HE3 LYS 51 HE3 LYS 51 2.375 -16.435 -35.389 431 HZ1 LYS 51 HZ1 LYS 51 0.195 -16.219 -37.054 432 HZ2 LYS 51 HZ2 LYS 51 -0.435 -16.043 -35.493 433 HZ3 LYS 51 HZ3 LYS 51 0.468 -17.417 -35.891 434 H PHE 52 H PHE 52 1.793 -9.712 -33.275 435 HA PHE 52 HA PHE 52 -0.567 -8.816 -34.735 436 HD1 PHE 52 HD1 PHE 52 -2.738 -8.528 -33.051 437 HD2 PHE 52 HD2 PHE 52 0.679 -8.090 -30.551 438 HE1 PHE 52 HE1 PHE 52 -3.939 -9.646 -31.218 439 HE2 PHE 52 HE2 PHE 52 -0.516 -9.209 -28.715 440 HZ PHE 52 HZ PHE 52 -2.828 -9.990 -29.047 441 HB2 PHE 52 HB2 PHE 52 0.632 -7.036 -32.620 442 HB3 PHE 52 HB3 PHE 52 -0.886 -6.829 -33.488 443 H TYR 53 H TYR 53 -0.164 -7.137 -36.211 444 HA TYR 53 HA TYR 53 2.616 -6.966 -37.036 445 HD1 TYR 53 HD1 TYR 53 3.330 -5.383 -39.440 446 HD2 TYR 53 HD2 TYR 53 0.775 -8.773 -39.724 447 HE1 TYR 53 HE1 TYR 53 4.792 -6.332 -41.177 448 HE2 TYR 53 HE2 TYR 53 2.230 -9.732 -41.460 449 HH TYR 53 HH TYR 53 4.422 -9.580 -42.316 450 HB2 TYR 53 HB2 TYR 53 0.138 -6.995 -38.379 451 HB3 TYR 53 HB3 TYR 53 0.831 -5.404 -38.669 452 H VAL 54 H VAL 54 3.862 -5.423 -36.230 453 HA VAL 54 HA VAL 54 2.683 -2.938 -35.261 454 HB VAL 54 HB VAL 54 4.990 -2.465 -34.418 455 HG11 VAL 54 HG11 VAL 54 4.747 -3.787 -32.523 456 HG12 VAL 54 HG12 VAL 54 3.112 -3.740 -33.185 457 HG13 VAL 54 HG13 VAL 54 4.128 -5.160 -33.439 458 HG21 VAL 54 HG21 VAL 54 6.700 -4.103 -34.506 459 HG22 VAL 54 HG22 VAL 54 5.604 -5.311 -35.177 460 HG23 VAL 54 HG23 VAL 54 6.097 -3.928 -36.154 461 H HIS 55 H HIS 55 3.150 -0.922 -36.059 462 HA HIS 55 HA HIS 55 4.948 -0.712 -38.358 463 HD1 HIS 55 HD1 HIS 55 5.160 0.487 -40.493 464 HD2 HIS 55 HD2 HIS 55 1.426 2.216 -39.921 465 HE1 HIS 55 HE1 HIS 55 5.098 2.476 -42.031 466 HB2 HIS 55 HB2 HIS 55 2.822 -1.044 -39.415 467 HB3 HIS 55 HB3 HIS 55 2.042 0.113 -38.340 468 H TYR 56 H TYR 56 5.882 1.303 -38.638 469 HA TYR 56 HA TYR 56 5.581 3.113 -36.353 470 HD1 TYR 56 HD1 TYR 56 7.333 0.607 -36.280 471 HD2 TYR 56 HD2 TYR 56 9.018 4.473 -35.709 472 HE1 TYR 56 HE1 TYR 56 8.405 -0.172 -34.209 473 HE2 TYR 56 HE2 TYR 56 10.095 3.703 -33.636 474 HH TYR 56 HH TYR 56 9.507 0.465 -32.352 475 HB2 TYR 56 HB2 TYR 56 7.799 2.457 -38.224 476 HB3 TYR 56 HB3 TYR 56 7.740 4.095 -37.583 477 H VAL 57 H VAL 57 4.368 4.856 -36.607 478 HA VAL 57 HA VAL 57 3.258 5.715 -39.020 479 HB VAL 57 HB VAL 57 2.752 7.856 -37.775 480 HG11 VAL 57 HG11 VAL 57 0.946 6.549 -37.517 481 HG12 VAL 57 HG12 VAL 57 1.908 5.130 -37.100 482 HG13 VAL 57 HG13 VAL 57 1.541 6.340 -35.870 483 HG21 VAL 57 HG21 VAL 57 3.636 8.327 -35.765 484 HG22 VAL 57 HG22 VAL 57 3.527 6.654 -35.217 485 HG23 VAL 57 HG23 VAL 57 4.882 7.167 -36.222 486 H ASN 58 H ASN 58 6.322 6.409 -37.570 487 HA ASN 58 HA ASN 58 6.897 8.296 -39.758 488 HB2 ASN 58 HB2 ASN 58 6.743 9.185 -37.283 489 HB3 ASN 58 HB3 ASN 58 8.356 8.490 -37.151 490 HD21 ASN 58 HD21 ASN 58 6.396 10.719 -39.054 491 HD22 ASN 58 HD22 ASN 58 7.699 11.758 -39.510 492 H TYR 59 H TYR 59 7.439 6.008 -40.616 493 HA TYR 59 HA TYR 59 10.259 5.808 -40.776 494 HD1 TYR 59 HD1 TYR 59 11.774 5.794 -38.643 495 HD2 TYR 59 HD2 TYR 59 10.968 1.872 -40.081 496 HE1 TYR 59 HE1 TYR 59 14.170 5.255 -38.498 497 HE2 TYR 59 HE2 TYR 59 13.361 1.321 -39.939 498 HH TYR 59 HH TYR 59 15.731 3.449 -39.794 499 HB2 TYR 59 HB2 TYR 59 9.429 4.627 -38.513 500 HB3 TYR 59 HB3 TYR 59 9.189 3.286 -39.627 501 H ASN 60 H ASN 60 10.859 3.643 -41.940 502 HA ASN 60 HA ASN 60 9.036 3.430 -44.194 503 HB2 ASN 60 HB2 ASN 60 11.732 2.106 -43.854 504 HB3 ASN 60 HB3 ASN 60 10.847 2.359 -45.356 505 HD21 ASN 60 HD21 ASN 60 10.226 4.791 -45.626 506 HD22 ASN 60 HD22 ASN 60 11.540 5.891 -45.409 507 H LYS 61 H LYS 61 9.447 0.939 -45.158 508 HA LYS 61 HA LYS 61 7.689 -0.635 -43.586 509 HB2 LYS 61 HB2 LYS 61 9.415 -1.481 -45.920 510 HB3 LYS 61 HB3 LYS 61 8.037 -2.366 -45.280 511 HG2 LYS 61 HG2 LYS 61 6.804 -0.078 -45.792 512 HG3 LYS 61 HG3 LYS 61 8.115 0.070 -46.965 513 HD2 LYS 61 HD2 LYS 61 7.494 -1.972 -48.029 514 HD3 LYS 61 HD3 LYS 61 6.354 -2.366 -46.739 515 HE2 LYS 61 HE2 LYS 61 6.132 -0.063 -48.676 516 HE3 LYS 61 HE3 LYS 61 5.189 -1.552 -48.720 517 HZ1 LYS 61 HZ1 LYS 61 4.719 0.801 -47.226 518 HZ2 LYS 61 HZ2 LYS 61 4.891 -0.513 -46.174 519 HZ3 LYS 61 HZ3 LYS 61 3.731 -0.560 -47.403 520 H ARG 62 H ARG 62 11.031 -0.147 -43.440 521 HA ARG 62 HA ARG 62 12.095 -2.593 -42.745 522 HE ARG 62 HE ARG 62 16.426 -0.572 -42.689 523 HB2 ARG 62 HB2 ARG 62 13.610 -0.809 -42.960 524 HB3 ARG 62 HB3 ARG 62 12.718 0.200 -41.829 525 HG2 ARG 62 HG2 ARG 62 13.465 -1.085 -39.971 526 HG3 ARG 62 HG3 ARG 62 14.157 -2.316 -41.030 527 HD2 ARG 62 HD2 ARG 62 15.084 0.522 -41.210 528 HD3 ARG 62 HD3 ARG 62 15.703 -0.532 -39.940 529 HH11 ARG 62 HH11 ARG 62 15.941 -2.617 -39.913 530 HH12 ARG 62 HH12 ARG 62 17.041 -3.840 -40.459 531 HH21 ARG 62 HH21 ARG 62 17.876 -2.175 -43.418 532 HH22 ARG 62 HH22 ARG 62 18.142 -3.587 -42.452 533 H LEU 63 H LEU 63 11.178 -0.156 -40.310 534 HA LEU 63 HA LEU 63 11.115 -1.977 -38.172 535 HG LEU 63 HG LEU 63 12.453 0.486 -37.883 536 HB2 LEU 63 HB2 LEU 63 10.113 0.792 -38.618 537 HB3 LEU 63 HB3 LEU 63 9.572 -0.084 -37.188 538 HD11 LEU 63 HD11 LEU 63 12.327 2.422 -36.785 539 HD12 LEU 63 HD12 LEU 63 11.343 1.727 -35.497 540 HD13 LEU 63 HD13 LEU 63 10.579 2.288 -36.985 541 HD21 LEU 63 HD21 LEU 63 12.248 -1.520 -36.573 542 HD22 LEU 63 HD22 LEU 63 11.150 -0.722 -35.447 543 HD23 LEU 63 HD23 LEU 63 12.838 -0.220 -35.536 544 H ASP 64 H ASP 64 8.766 -1.151 -40.578 545 HA ASP 64 HA ASP 64 6.453 -2.055 -39.202 546 HB2 ASP 64 HB2 ASP 64 6.582 -0.573 -41.298 547 HB3 ASP 64 HB3 ASP 64 6.780 -2.076 -42.196 548 H GLU 65 H GLU 65 6.910 -4.061 -38.288 549 HA GLU 65 HA GLU 65 6.820 -6.288 -40.187 550 HB2 GLU 65 HB2 GLU 65 8.647 -6.336 -37.789 551 HB3 GLU 65 HB3 GLU 65 8.552 -7.510 -39.094 552 HG2 GLU 65 HG2 GLU 65 9.440 -4.659 -39.450 553 HG3 GLU 65 HG3 GLU 65 10.534 -6.017 -39.192 554 H TRP 66 H TRP 66 6.616 -8.423 -38.744 555 HA TRP 66 HA TRP 66 4.367 -7.894 -36.929 556 HD1 TRP 66 HD1 TRP 66 6.582 -10.147 -39.859 557 HE1 TRP 66 HE1 TRP 66 7.601 -12.509 -39.766 558 HE3 TRP 66 HE3 TRP 66 3.587 -12.181 -36.250 559 HZ2 TRP 66 HZ2 TRP 66 7.189 -14.916 -38.349 560 HZ3 TRP 66 HZ3 TRP 66 3.964 -14.519 -35.583 561 HH2 TRP 66 HH2 TRP 66 5.728 -15.857 -36.613 562 HB2 TRP 66 HB2 TRP 66 3.542 -10.067 -37.449 563 HB3 TRP 66 HB3 TRP 66 4.022 -9.338 -38.979 564 H ILE 67 H ILE 67 4.417 -8.514 -34.841 565 HA ILE 67 HA ILE 67 6.608 -10.245 -33.938 566 HB ILE 67 HB ILE 67 7.024 -8.812 -32.000 567 HG12 ILE 67 HG12 ILE 67 5.107 -6.895 -33.347 568 HG13 ILE 67 HG13 ILE 67 4.815 -7.759 -31.841 569 HG21 ILE 67 HG21 ILE 67 8.357 -8.553 -34.061 570 HG22 ILE 67 HG22 ILE 67 7.264 -7.271 -34.580 571 HG23 ILE 67 HG23 ILE 67 8.245 -7.060 -33.129 572 HD11 ILE 67 HD11 ILE 67 7.006 -6.541 -31.086 573 HD12 ILE 67 HD12 ILE 67 6.573 -5.426 -32.382 574 HD13 ILE 67 HD13 ILE 67 5.449 -5.715 -31.053 575 H THR 68 H THR 68 6.264 -10.974 -31.643 576 HA THR 68 HA THR 68 3.431 -11.639 -31.288 577 HB THR 68 HB THR 68 4.137 -13.490 -29.925 578 HG1 THR 68 HG1 THR 68 6.457 -13.798 -29.605 579 HG21 THR 68 HG21 THR 68 4.918 -14.808 -31.608 580 HG22 THR 68 HG22 THR 68 6.201 -13.680 -32.045 581 HG23 THR 68 HG23 THR 68 4.544 -13.378 -32.569 582 H THR 69 H THR 69 3.243 -12.269 -28.687 583 HA THR 69 HA THR 69 2.996 -9.740 -27.429 584 HB THR 69 HB THR 69 1.530 -11.720 -26.959 585 HG1 THR 69 HG1 THR 69 1.242 -11.091 -24.844 586 HG21 THR 69 HG21 THR 69 3.679 -12.653 -25.083 587 HG22 THR 69 HG22 THR 69 3.581 -13.267 -26.733 588 HG23 THR 69 HG23 THR 69 2.232 -13.504 -25.621 589 H ASP 70 H ASP 70 5.593 -11.920 -27.699 590 HA ASP 70 HA ASP 70 6.950 -11.674 -25.303 591 HB2 ASP 70 HB2 ASP 70 7.784 -13.179 -26.959 592 HB3 ASP 70 HB3 ASP 70 7.989 -11.879 -28.130 593 H ARG 71 H ARG 71 6.512 -9.338 -27.841 594 HA ARG 71 HA ARG 71 8.297 -7.472 -26.424 595 HE ARG 71 HE ARG 71 9.001 -9.622 -30.999 596 HB2 ARG 71 HB2 ARG 71 7.363 -7.380 -29.299 597 HB3 ARG 71 HB3 ARG 71 8.448 -6.227 -28.533 598 HG2 ARG 71 HG2 ARG 71 10.123 -7.943 -28.238 599 HG3 ARG 71 HG3 ARG 71 9.026 -9.159 -28.897 600 HD2 ARG 71 HD2 ARG 71 9.241 -6.956 -30.717 601 HD3 ARG 71 HD3 ARG 71 10.852 -7.533 -30.291 602 HH11 ARG 71 HH11 ARG 71 11.343 -7.329 -32.174 603 HH12 ARG 71 HH12 ARG 71 11.690 -8.225 -33.616 604 HH21 ARG 71 HH21 ARG 71 9.449 -10.811 -32.894 605 HH22 ARG 71 HH22 ARG 71 10.612 -10.205 -34.024 606 H ILE 72 H ILE 72 5.068 -8.082 -27.483 607 HA ILE 72 HA ILE 72 4.230 -5.356 -26.803 608 HB ILE 72 HB ILE 72 2.663 -7.595 -28.089 609 HG12 ILE 72 HG12 ILE 72 3.475 -5.013 -29.395 610 HG13 ILE 72 HG13 ILE 72 4.574 -6.387 -29.369 611 HG21 ILE 72 HG21 ILE 72 0.828 -6.447 -27.606 612 HG22 ILE 72 HG22 ILE 72 1.790 -5.227 -26.773 613 HG23 ILE 72 HG23 ILE 72 1.465 -5.067 -28.499 614 HD11 ILE 72 HD11 ILE 72 3.381 -6.365 -31.443 615 HD12 ILE 72 HD12 ILE 72 2.832 -7.740 -30.484 616 HD13 ILE 72 HD13 ILE 72 1.833 -6.291 -30.600 617 H ASN 73 H ASN 73 3.330 -4.920 -24.905 618 HA ASN 73 HA ASN 73 2.125 -7.130 -23.375 619 HB2 ASN 73 HB2 ASN 73 4.449 -6.075 -22.627 620 HB3 ASN 73 HB3 ASN 73 3.393 -4.856 -21.921 621 HD21 ASN 73 HD21 ASN 73 4.090 -5.493 -19.853 622 HD22 ASN 73 HD22 ASN 73 3.485 -6.929 -19.107 623 H LEU 74 H LEU 74 0.153 -6.763 -22.536 624 HA LEU 74 HA LEU 74 -1.479 -4.726 -23.427 625 HG LEU 74 HG LEU 74 -3.859 -7.184 -22.158 626 HB2 LEU 74 HB2 LEU 74 -1.621 -6.816 -21.401 627 HB3 LEU 74 HB3 LEU 74 -2.590 -5.400 -20.998 628 HD11 LEU 74 HD11 LEU 74 -3.613 -4.647 -23.766 629 HD12 LEU 74 HD12 LEU 74 -4.519 -4.802 -22.261 630 HD13 LEU 74 HD13 LEU 74 -5.009 -5.722 -23.683 631 HD21 LEU 74 HD21 LEU 74 -3.398 -7.900 -24.295 632 HD22 LEU 74 HD22 LEU 74 -1.771 -7.689 -23.647 633 HD23 LEU 74 HD23 LEU 74 -2.469 -6.455 -24.697 634 H ASP 75 H ASP 75 -2.667 -3.135 -21.969 635 HA ASP 75 HA ASP 75 -0.652 -1.570 -20.525 636 HB2 ASP 75 HB2 ASP 75 -3.342 -0.777 -21.659 637 HB3 ASP 75 HB3 ASP 75 -2.271 0.309 -20.779 638 H LYS 76 H LYS 76 -2.137 -3.915 -19.438 639 HA LYS 76 HA LYS 76 -3.426 -2.559 -17.159 640 HB2 LYS 76 HB2 LYS 76 -4.137 -5.088 -18.602 641 HB3 LYS 76 HB3 LYS 76 -4.563 -4.902 -16.906 642 HG2 LYS 76 HG2 LYS 76 -5.639 -2.684 -17.640 643 HG3 LYS 76 HG3 LYS 76 -5.534 -3.349 -19.272 644 HD2 LYS 76 HD2 LYS 76 -6.752 -5.370 -18.431 645 HD3 LYS 76 HD3 LYS 76 -6.999 -4.513 -16.907 646 HE2 LYS 76 HE2 LYS 76 -7.935 -2.641 -18.513 647 HE3 LYS 76 HE3 LYS 76 -8.187 -4.012 -19.593 648 HZ1 LYS 76 HZ1 LYS 76 -10.003 -3.275 -17.868 649 HZ2 LYS 76 HZ2 LYS 76 -9.105 -4.260 -16.826 650 HZ3 LYS 76 HZ3 LYS 76 -9.763 -4.907 -18.243 651 H GLU 77 H GLU 77 -3.251 -3.704 -15.089 652 HA GLU 77 HA GLU 77 -0.574 -4.420 -14.528 653 HB2 GLU 77 HB2 GLU 77 -1.363 -4.870 -12.260 654 HB3 GLU 77 HB3 GLU 77 -2.030 -3.360 -12.865 655 HG2 GLU 77 HG2 GLU 77 -3.640 -5.822 -13.225 656 HG3 GLU 77 HG3 GLU 77 -3.506 -5.151 -11.601 657 H VAL 78 H VAL 78 0.337 -6.395 -13.957 658 HA VAL 78 HA VAL 78 -1.270 -8.810 -14.323 659 HB VAL 78 HB VAL 78 0.312 -9.838 -15.831 660 HG11 VAL 78 HG11 VAL 78 -0.294 -7.126 -16.978 661 HG12 VAL 78 HG12 VAL 78 -0.229 -8.680 -17.812 662 HG13 VAL 78 HG13 VAL 78 -1.545 -8.334 -16.689 663 HG21 VAL 78 HG21 VAL 78 2.109 -8.347 -16.858 664 HG22 VAL 78 HG22 VAL 78 1.845 -7.279 -15.479 665 HG23 VAL 78 HG23 VAL 78 2.394 -8.935 -15.220 666 H LEU 79 H LEU 79 -0.082 -10.783 -13.644 667 HA LEU 79 HA LEU 79 1.910 -10.167 -11.561 668 HG LEU 79 HG LEU 79 -0.437 -9.606 -10.529 669 HB2 LEU 79 HB2 LEU 79 -0.407 -12.079 -11.522 670 HB3 LEU 79 HB3 LEU 79 0.950 -12.228 -10.406 671 HD11 LEU 79 HD11 LEU 79 -1.833 -12.072 -10.032 672 HD12 LEU 79 HD12 LEU 79 -2.452 -10.422 -10.088 673 HD13 LEU 79 HD13 LEU 79 -1.802 -11.069 -8.582 674 HD21 LEU 79 HD21 LEU 79 0.576 -9.297 -8.562 675 HD22 LEU 79 HD22 LEU 79 1.532 -10.720 -8.976 676 HD23 LEU 79 HD23 LEU 79 0.097 -10.887 -7.963 677 H TYR 80 H TYR 80 3.666 -10.655 -12.884 678 HA TYR 80 HA TYR 80 3.849 -13.444 -13.807 679 HD1 TYR 80 HD1 TYR 80 4.373 -14.328 -16.102 680 HD2 TYR 80 HD2 TYR 80 3.493 -10.175 -16.381 681 HE1 TYR 80 HE1 TYR 80 2.934 -14.770 -18.047 682 HE2 TYR 80 HE2 TYR 80 2.051 -10.605 -18.326 683 HH TYR 80 HH TYR 80 1.942 -13.709 -19.882 684 HB2 TYR 80 HB2 TYR 80 5.031 -10.884 -14.811 685 HB3 TYR 80 HB3 TYR 80 5.885 -12.394 -15.104 686 HA PRO 81 HA PRO 81 6.647 -13.335 -10.170 687 HB2 PRO 81 HB2 PRO 81 6.215 -15.931 -9.503 688 HB3 PRO 81 HB3 PRO 81 5.148 -14.617 -8.992 689 HG2 PRO 81 HG2 PRO 81 4.823 -16.550 -11.256 690 HG3 PRO 81 HG3 PRO 81 3.616 -15.981 -10.088 691 HD2 PRO 81 HD2 PRO 81 3.792 -14.989 -12.601 692 HD3 PRO 81 HD3 PRO 81 3.268 -14.004 -11.221 693 H LYS 82 H LYS 82 8.259 -13.116 -11.961 694 HA LYS 82 HA LYS 82 9.974 -15.426 -11.987 695 HB2 LYS 82 HB2 LYS 82 8.246 -15.562 -13.968 696 HB3 LYS 82 HB3 LYS 82 9.311 -14.375 -14.709 697 HG2 LYS 82 HG2 LYS 82 10.081 -16.417 -15.512 698 HG3 LYS 82 HG3 LYS 82 11.199 -16.023 -14.204 699 HD2 LYS 82 HD2 LYS 82 10.691 -18.275 -13.851 700 HD3 LYS 82 HD3 LYS 82 9.639 -17.422 -12.719 701 HE2 LYS 82 HE2 LYS 82 8.150 -18.892 -13.657 702 HE3 LYS 82 HE3 LYS 82 7.947 -17.501 -14.721 703 HZ1 LYS 82 HZ1 LYS 82 9.629 -18.578 -16.207 704 HZ2 LYS 82 HZ2 LYS 82 8.153 -19.397 -16.090 705 HZ3 LYS 82 HZ3 LYS 82 9.504 -19.967 -15.248 706 H LEU 83 H LEU 83 12.075 -14.845 -12.113 707 HA LEU 83 HA LEU 83 12.682 -12.022 -12.183 708 HG LEU 83 HG LEU 83 13.077 -14.680 -10.166 709 HB2 LEU 83 HB2 LEU 83 14.638 -14.296 -11.976 710 HB3 LEU 83 HB3 LEU 83 14.863 -12.625 -11.465 711 HD11 LEU 83 HD11 LEU 83 14.642 -14.223 -8.234 712 HD12 LEU 83 HD12 LEU 83 15.696 -13.421 -9.398 713 HD13 LEU 83 HD13 LEU 83 15.318 -15.133 -9.586 714 HD21 LEU 83 HD21 LEU 83 13.138 -11.758 -10.016 715 HD22 LEU 83 HD22 LEU 83 13.245 -12.565 -8.451 716 HD23 LEU 83 HD23 LEU 83 11.884 -12.897 -9.522 717 H LYS 84 H LYS 84 14.618 -11.268 -13.445 718 HA LYS 84 HA LYS 84 14.758 -12.569 -16.081 719 HB2 LYS 84 HB2 LYS 84 13.292 -10.608 -16.228 720 HB3 LYS 84 HB3 LYS 84 14.561 -9.598 -15.549 721 HG2 LYS 84 HG2 LYS 84 14.586 -9.218 -17.871 722 HG3 LYS 84 HG3 LYS 84 15.977 -10.251 -17.531 723 HD2 LYS 84 HD2 LYS 84 14.845 -12.179 -18.353 724 HD3 LYS 84 HD3 LYS 84 13.309 -11.314 -18.442 725 HE2 LYS 84 HE2 LYS 84 14.170 -9.900 -20.207 726 HE3 LYS 84 HE3 LYS 84 15.760 -10.650 -20.071 727 HZ1 LYS 84 HZ1 LYS 84 13.909 -12.691 -20.463 728 HZ2 LYS 84 HZ2 LYS 84 15.105 -12.155 -21.534 729 HZ3 LYS 84 HZ3 LYS 84 13.553 -11.488 -21.598 730 H ALA 85 H ALA 85 16.755 -12.819 -16.900 731 HA ALA 85 HA ALA 85 19.010 -12.057 -15.257 732 HB1 ALA 85 HB1 ALA 85 19.701 -13.255 -17.800 733 HB2 ALA 85 HB2 ALA 85 20.005 -13.832 -16.160 734 HB3 ALA 85 HB3 ALA 85 18.468 -14.186 -16.949 735 H THR 86 H THR 86 21.049 -11.369 -16.613 736 HA THR 86 HA THR 86 20.377 -9.388 -18.648 737 HB THR 86 HB THR 86 22.199 -8.464 -16.472 738 HG1 THR 86 HG1 THR 86 20.544 -8.829 -15.143 739 HG21 THR 86 HG21 THR 86 20.622 -6.376 -17.207 740 HG22 THR 86 HG22 THR 86 20.641 -7.326 -18.692 741 HG23 THR 86 HG23 THR 86 22.157 -6.782 -17.974 742 H ASP 87 H ASP 87 22.075 -8.863 -20.022 743 HA ASP 87 HA ASP 87 24.678 -10.101 -19.523 744 HB2 ASP 87 HB2 ASP 87 23.717 -11.818 -20.811 745 HB3 ASP 87 HB3 ASP 87 22.877 -10.681 -21.862 746 H GLU 88 H GLU 88 26.338 -8.854 -20.145 747 HA GLU 88 HA GLU 88 26.082 -6.935 -22.281 748 HB2 GLU 88 HB2 GLU 88 26.644 -4.977 -20.903 749 HB3 GLU 88 HB3 GLU 88 25.091 -5.667 -20.454 750 HG2 GLU 88 HG2 GLU 88 27.512 -6.541 -18.970 751 HG3 GLU 88 HG3 GLU 88 26.849 -4.941 -18.644 752 H ASP 89 H ASP 89 28.060 -6.209 -23.054 753 HA ASP 89 HA ASP 89 30.410 -7.524 -21.861 754 HB2 ASP 89 HB2 ASP 89 31.385 -7.624 -24.063 755 HB3 ASP 89 HB3 ASP 89 29.759 -8.295 -24.147 Start of MODEL 11 1 HA MET -4 HA MET -4 5.047 2.048 -6.038 2 H1 MET -4 H1 MET -4 7.329 1.905 -4.189 3 HB2 MET -4 HB2 MET -4 5.651 4.034 -4.544 4 HB3 MET -4 HB3 MET -4 7.072 4.228 -5.562 5 HG2 MET -4 HG2 MET -4 5.634 5.674 -6.574 6 HG3 MET -4 HG3 MET -4 5.314 4.208 -7.497 7 HE1 MET -4 HE1 MET -4 2.209 4.464 -8.052 8 HE2 MET -4 HE2 MET -4 2.099 6.118 -7.451 9 HE3 MET -4 HE3 MET -4 3.547 5.586 -8.305 10 H GLY -3 H GLY -3 6.915 0.106 -6.593 11 HA2 GLY -3 HA2 GLY -3 8.521 1.273 -8.778 12 HA3 GLY -3 HA3 GLY -3 8.896 -0.236 -7.958 13 H SER -2 H SER -2 9.035 -1.006 -10.220 14 HA SER -2 HA SER -2 6.428 -2.050 -11.048 15 HG SER -2 HG SER -2 5.551 -1.597 -12.945 16 HB2 SER -2 HB2 SER -2 7.240 0.052 -12.394 17 HB3 SER -2 HB3 SER -2 8.321 -1.103 -13.173 18 H SER -1 H SER -1 6.592 -3.920 -12.471 19 HA SER -1 HA SER -1 8.919 -5.536 -11.776 20 HG SER -1 HG SER -1 7.419 -8.410 -12.578 21 HB2 SER -1 HB2 SER -1 6.370 -6.217 -11.612 22 HB3 SER -1 HB3 SER -1 6.596 -6.628 -13.311 23 H HIS 0 H HIS 0 9.276 -7.300 -13.674 24 HA HIS 0 HA HIS 0 9.187 -6.332 -16.338 25 HD1 HIS 0 HD1 HIS 0 13.460 -6.390 -17.219 26 HD2 HIS 0 HD2 HIS 0 9.914 -4.354 -17.960 27 HE1 HIS 0 HE1 HIS 0 13.639 -5.568 -19.589 28 HB2 HIS 0 HB2 HIS 0 11.022 -4.920 -15.153 29 HB3 HIS 0 HB3 HIS 0 11.986 -6.390 -15.249 30 H HIS 1 H HIS 1 10.519 -7.732 -17.823 31 HA HIS 1 HA HIS 1 10.784 -10.437 -16.683 32 HD1 HIS 1 HD1 HIS 1 8.216 -8.058 -19.043 33 HD2 HIS 1 HD2 HIS 1 11.046 -10.078 -21.318 34 HE1 HIS 1 HE1 HIS 1 8.325 -6.825 -21.232 35 HB2 HIS 1 HB2 HIS 1 10.161 -11.266 -18.970 36 HB3 HIS 1 HB3 HIS 1 8.869 -10.414 -18.129 37 H HIS 2 H HIS 2 12.621 -11.545 -17.077 38 HA HIS 2 HA HIS 2 14.422 -10.746 -19.200 39 HD1 HIS 2 HD1 HIS 2 15.763 -8.805 -19.692 40 HD2 HIS 2 HD2 HIS 2 18.274 -10.629 -16.930 41 HE1 HIS 2 HE1 HIS 2 18.098 -8.384 -20.525 42 HB2 HIS 2 HB2 HIS 2 14.838 -9.358 -17.003 43 HB3 HIS 2 HB3 HIS 2 15.631 -10.835 -16.464 44 H HIS 3 H HIS 3 16.276 -12.226 -19.398 45 HA HIS 3 HA HIS 3 17.065 -14.346 -19.663 46 HD1 HIS 3 HD1 HIS 3 19.154 -14.523 -19.208 47 HD2 HIS 3 HD2 HIS 3 18.349 -13.403 -15.289 48 HE1 HIS 3 HE1 HIS 3 21.290 -13.517 -18.343 49 HB2 HIS 3 HB2 HIS 3 16.255 -14.305 -16.769 50 HB3 HIS 3 HB3 HIS 3 16.933 -15.760 -17.493 51 H HIS 4 H HIS 4 14.462 -13.938 -20.623 52 HA HIS 4 HA HIS 4 12.912 -16.278 -19.848 53 HD1 HIS 4 HD1 HIS 4 9.628 -14.858 -19.599 54 HD2 HIS 4 HD2 HIS 4 10.977 -16.705 -23.068 55 HE1 HIS 4 HE1 HIS 4 7.731 -16.322 -20.363 56 HB2 HIS 4 HB2 HIS 4 11.855 -14.026 -20.283 57 HB3 HIS 4 HB3 HIS 4 12.253 -14.245 -21.984 58 H HIS 5 H HIS 5 13.282 -18.172 -20.774 59 HA HIS 5 HA HIS 5 13.654 -18.346 -23.645 60 HD1 HIS 5 HD1 HIS 5 15.423 -18.417 -25.421 61 HD2 HIS 5 HD2 HIS 5 16.789 -21.646 -23.194 62 HE1 HIS 5 HE1 HIS 5 16.396 -20.023 -27.093 63 HB2 HIS 5 HB2 HIS 5 15.955 -18.085 -22.641 64 HB3 HIS 5 HB3 HIS 5 15.692 -19.615 -21.809 65 H SER 6 H SER 6 12.283 -19.856 -24.291 66 HA SER 6 HA SER 6 12.251 -22.476 -23.169 67 HG SER 6 HG SER 6 10.257 -22.879 -21.005 68 HB2 SER 6 HB2 SER 6 10.798 -20.953 -21.607 69 HB3 SER 6 HB3 SER 6 9.605 -21.088 -22.898 70 H SER 7 H SER 7 10.127 -23.644 -24.104 71 HA SER 7 HA SER 7 10.417 -23.518 -26.927 72 HG SER 7 HG SER 7 7.998 -25.923 -27.324 73 HB2 SER 7 HB2 SER 7 9.822 -25.563 -25.498 74 HB3 SER 7 HB3 SER 7 8.176 -24.931 -25.484 75 H GLY 8 H GLY 8 8.062 -23.755 -28.126 76 HA2 GLY 8 HA2 GLY 8 7.040 -21.059 -28.056 77 HA3 GLY 8 HA3 GLY 8 6.556 -22.332 -29.167 78 H LEU 9 H LEU 9 6.232 -21.311 -25.780 79 HA LEU 9 HA LEU 9 3.519 -22.462 -25.802 80 HG LEU 9 HG LEU 9 2.814 -22.483 -22.879 81 HB2 LEU 9 HB2 LEU 9 5.273 -23.525 -24.281 82 HB3 LEU 9 HB3 LEU 9 5.174 -22.044 -23.331 83 HD11 LEU 9 HD11 LEU 9 2.134 -24.950 -23.477 84 HD12 LEU 9 HD12 LEU 9 3.281 -24.712 -24.795 85 HD13 LEU 9 HD13 LEU 9 1.895 -23.635 -24.628 86 HD21 LEU 9 HD21 LEU 9 5.017 -23.894 -21.876 87 HD22 LEU 9 HD22 LEU 9 3.729 -25.083 -22.073 88 HD23 LEU 9 HD23 LEU 9 3.455 -23.640 -21.096 89 H VAL 10 H VAL 10 1.932 -21.351 -24.478 90 HA VAL 10 HA VAL 10 1.910 -18.568 -24.915 91 HB VAL 10 HB VAL 10 -0.097 -18.588 -23.379 92 HG11 VAL 10 HG11 VAL 10 0.210 -20.174 -25.868 93 HG12 VAL 10 HG12 VAL 10 -1.311 -20.319 -24.985 94 HG13 VAL 10 HG13 VAL 10 -0.766 -18.740 -25.551 95 HG21 VAL 10 HG21 VAL 10 0.878 -20.693 -22.184 96 HG22 VAL 10 HG22 VAL 10 -0.866 -20.520 -22.382 97 HG23 VAL 10 HG23 VAL 10 0.045 -21.571 -23.467 98 HA PRO 11 HA PRO 11 3.932 -16.863 -21.411 99 HB2 PRO 11 HB2 PRO 11 2.474 -14.610 -21.001 100 HB3 PRO 11 HB3 PRO 11 3.586 -14.801 -22.362 101 HG2 PRO 11 HG2 PRO 11 0.610 -15.121 -22.288 102 HG3 PRO 11 HG3 PRO 11 1.619 -14.324 -23.508 103 HD2 PRO 11 HD2 PRO 11 0.632 -16.823 -23.841 104 HD3 PRO 11 HD3 PRO 11 2.193 -16.315 -24.517 105 H ARG 12 H ARG 12 3.167 -15.565 -19.262 106 HA ARG 12 HA ARG 12 2.059 -17.491 -17.571 107 HE ARG 12 HE ARG 12 4.145 -17.970 -17.802 108 HB2 ARG 12 HB2 ARG 12 2.327 -14.504 -17.190 109 HB3 ARG 12 HB3 ARG 12 1.895 -15.630 -15.910 110 HG2 ARG 12 HG2 ARG 12 4.461 -15.732 -17.481 111 HG3 ARG 12 HG3 ARG 12 4.277 -14.979 -15.895 112 HD2 ARG 12 HD2 ARG 12 5.016 -17.041 -15.255 113 HD3 ARG 12 HD3 ARG 12 3.279 -17.344 -15.279 114 HH11 ARG 12 HH11 ARG 12 4.925 -19.005 -14.571 115 HH12 ARG 12 HH12 ARG 12 5.365 -20.610 -15.051 116 HH21 ARG 12 HH21 ARG 12 4.721 -20.080 -18.447 117 HH22 ARG 12 HH22 ARG 12 5.250 -21.220 -17.257 118 H GLY 13 H GLY 13 0.141 -16.725 -16.019 119 HA2 GLY 13 HA2 GLY 13 -2.177 -16.550 -17.785 120 HA3 GLY 13 HA3 GLY 13 -2.193 -17.015 -16.090 121 H SER 14 H SER 14 -1.187 -15.037 -14.708 122 HA SER 14 HA SER 14 -3.169 -13.095 -14.623 123 HG SER 14 HG SER 14 -1.855 -13.397 -11.619 124 HB2 SER 14 HB2 SER 14 -0.331 -12.869 -13.592 125 HB3 SER 14 HB3 SER 14 -1.695 -11.876 -13.081 126 H HIS 15 H HIS 15 -3.614 -11.928 -16.412 127 HA HIS 15 HA HIS 15 -2.076 -9.691 -17.067 128 HD1 HIS 15 HD1 HIS 15 -0.205 -10.464 -21.030 129 HD2 HIS 15 HD2 HIS 15 0.008 -8.854 -17.205 130 HE1 HIS 15 HE1 HIS 15 1.452 -8.578 -21.185 131 HB2 HIS 15 HB2 HIS 15 -0.917 -11.902 -18.177 132 HB3 HIS 15 HB3 HIS 15 -1.977 -11.374 -19.481 133 H MET 16 H MET 16 -2.767 -9.159 -19.649 134 HA MET 16 HA MET 16 -5.691 -9.094 -19.465 135 HB2 MET 16 HB2 MET 16 -3.799 -7.445 -21.151 136 HB3 MET 16 HB3 MET 16 -5.546 -7.250 -21.101 137 HG2 MET 16 HG2 MET 16 -3.681 -6.872 -18.770 138 HG3 MET 16 HG3 MET 16 -4.380 -5.582 -19.746 139 HE1 MET 16 HE1 MET 16 -7.728 -7.003 -19.861 140 HE2 MET 16 HE2 MET 16 -8.012 -5.505 -18.974 141 HE3 MET 16 HE3 MET 16 -6.825 -5.546 -20.277 142 H SER 17 H SER 17 -6.574 -8.752 -21.925 143 HA SER 17 HA SER 17 -5.773 -11.220 -23.310 144 HG SER 17 HG SER 17 -9.256 -9.669 -22.476 145 HB2 SER 17 HB2 SER 17 -8.068 -10.980 -24.405 146 HB3 SER 17 HB3 SER 17 -8.059 -11.375 -22.687 147 H VAL 18 H VAL 18 -4.924 -11.124 -25.290 148 HA VAL 18 HA VAL 18 -4.522 -8.524 -26.512 149 HB VAL 18 HB VAL 18 -3.600 -11.071 -27.779 150 HG11 VAL 18 HG11 VAL 18 -3.272 -8.761 -28.766 151 HG12 VAL 18 HG12 VAL 18 -2.153 -8.457 -27.436 152 HG13 VAL 18 HG13 VAL 18 -1.822 -9.749 -28.591 153 HG21 VAL 18 HG21 VAL 18 -3.019 -11.463 -25.495 154 HG22 VAL 18 HG22 VAL 18 -1.556 -10.951 -26.337 155 HG23 VAL 18 HG23 VAL 18 -2.424 -9.814 -25.305 156 H ASP 19 H ASP 19 -6.503 -11.327 -26.947 157 HA ASP 19 HA ASP 19 -7.161 -10.916 -29.683 158 HB2 ASP 19 HB2 ASP 19 -7.458 -13.060 -28.347 159 HB3 ASP 19 HB3 ASP 19 -8.886 -12.312 -27.637 160 H ASP 20 H ASP 20 -7.914 -9.174 -26.930 161 HA ASP 20 HA ASP 20 -10.481 -8.226 -27.977 162 HB2 ASP 20 HB2 ASP 20 -9.124 -8.040 -25.308 163 HB3 ASP 20 HB3 ASP 20 -10.401 -6.902 -25.729 164 H ILE 21 H ILE 21 -7.779 -7.593 -29.105 165 HA ILE 21 HA ILE 21 -7.648 -4.703 -28.640 166 HB ILE 21 HB ILE 21 -5.753 -6.539 -30.106 167 HG12 ILE 21 HG12 ILE 21 -5.383 -5.016 -27.520 168 HG13 ILE 21 HG13 ILE 21 -5.807 -6.722 -27.611 169 HG21 ILE 21 HG21 ILE 21 -5.807 -3.567 -29.775 170 HG22 ILE 21 HG22 ILE 21 -4.274 -4.421 -29.947 171 HG23 ILE 21 HG23 ILE 21 -5.489 -4.525 -31.221 172 HD11 ILE 21 HD11 ILE 21 -3.563 -6.898 -27.345 173 HD12 ILE 21 HD12 ILE 21 -3.633 -6.810 -29.105 174 HD13 ILE 21 HD13 ILE 21 -3.232 -5.372 -28.166 175 H ILE 22 H ILE 22 -7.953 -3.204 -30.247 176 HA ILE 22 HA ILE 22 -9.447 -4.134 -32.564 177 HB ILE 22 HB ILE 22 -10.048 -1.829 -32.931 178 HG12 ILE 22 HG12 ILE 22 -8.121 -1.182 -30.690 179 HG13 ILE 22 HG13 ILE 22 -7.887 -0.799 -32.392 180 HG21 ILE 22 HG21 ILE 22 -10.294 -1.861 -29.997 181 HG22 ILE 22 HG22 ILE 22 -11.536 -1.733 -31.241 182 HG23 ILE 22 HG23 ILE 22 -10.861 -3.309 -30.829 183 HD11 ILE 22 HD11 ILE 22 -10.205 0.432 -32.038 184 HD12 ILE 22 HD12 ILE 22 -9.623 0.490 -30.374 185 HD13 ILE 22 HD13 ILE 22 -8.661 1.201 -31.671 186 H ILE 23 H ILE 23 -8.998 -2.366 -34.500 187 HA ILE 23 HA ILE 23 -6.205 -2.887 -35.240 188 HB ILE 23 HB ILE 23 -8.390 -2.006 -37.115 189 HG12 ILE 23 HG12 ILE 23 -9.126 -4.063 -36.001 190 HG13 ILE 23 HG13 ILE 23 -8.720 -4.373 -37.685 191 HG21 ILE 23 HG21 ILE 23 -5.586 -2.818 -37.350 192 HG22 ILE 23 HG22 ILE 23 -6.670 -3.599 -38.500 193 HG23 ILE 23 HG23 ILE 23 -6.580 -1.840 -38.429 194 HD11 ILE 23 HD11 ILE 23 -6.563 -5.283 -36.992 195 HD12 ILE 23 HD12 ILE 23 -6.983 -4.983 -35.305 196 HD13 ILE 23 HD13 ILE 23 -7.910 -6.148 -36.252 197 H LYS 24 H LYS 24 -4.992 -1.256 -36.354 198 HA LYS 24 HA LYS 24 -4.117 0.832 -36.572 199 HB2 LYS 24 HB2 LYS 24 -7.026 1.658 -36.559 200 HB3 LYS 24 HB3 LYS 24 -5.682 2.676 -37.059 201 HG2 LYS 24 HG2 LYS 24 -5.440 1.621 -39.050 202 HG3 LYS 24 HG3 LYS 24 -5.962 0.060 -38.413 203 HD2 LYS 24 HD2 LYS 24 -7.680 0.744 -39.872 204 HD3 LYS 24 HD3 LYS 24 -8.288 1.079 -38.249 205 HE2 LYS 24 HE2 LYS 24 -8.131 3.348 -38.512 206 HE3 LYS 24 HE3 LYS 24 -6.812 3.232 -39.675 207 HZ1 LYS 24 HZ1 LYS 24 -8.586 3.869 -40.976 208 HZ2 LYS 24 HZ2 LYS 24 -9.706 2.930 -40.124 209 HZ3 LYS 24 HZ3 LYS 24 -8.609 2.189 -41.177 210 H CYS 25 H CYS 25 -4.634 -0.288 -33.903 211 HA CYS 25 HA CYS 25 -5.182 2.079 -32.286 212 HG CYS 25 HG CYS 25 -5.395 0.372 -28.845 213 HB2 CYS 25 HB2 CYS 25 -5.937 -0.455 -31.882 214 HB3 CYS 25 HB3 CYS 25 -4.398 -0.503 -31.032 215 H GLN 26 H GLN 26 -3.713 2.938 -30.798 216 HA GLN 26 HA GLN 26 -0.926 2.574 -31.557 217 HB2 GLN 26 HB2 GLN 26 -1.640 4.852 -31.441 218 HB3 GLN 26 HB3 GLN 26 -2.337 4.617 -29.843 219 HG2 GLN 26 HG2 GLN 26 -0.284 4.627 -28.796 220 HG3 GLN 26 HG3 GLN 26 0.584 4.185 -30.266 221 HE21 GLN 26 HE21 GLN 26 0.267 6.577 -28.171 222 HE22 GLN 26 HE22 GLN 26 0.509 7.949 -29.192 223 H CYS 27 H CYS 27 0.413 1.319 -30.454 224 HA CYS 27 HA CYS 27 -0.156 0.807 -27.610 225 HG CYS 27 HG CYS 27 0.476 -1.426 -26.267 226 HB2 CYS 27 HB2 CYS 27 -0.437 -1.086 -29.523 227 HB3 CYS 27 HB3 CYS 27 1.264 -1.302 -29.126 228 H TRP 28 H TRP 28 1.554 0.840 -26.220 229 HA TRP 28 HA TRP 28 4.023 1.970 -27.262 230 HD1 TRP 28 HD1 TRP 28 1.282 3.859 -25.375 231 HE1 TRP 28 HE1 TRP 28 1.868 6.347 -25.674 232 HE3 TRP 28 HE3 TRP 28 6.382 3.500 -25.351 233 HZ2 TRP 28 HZ2 TRP 28 4.185 7.946 -25.874 234 HZ3 TRP 28 HZ3 TRP 28 7.710 5.557 -25.602 235 HH2 TRP 28 HH2 TRP 28 6.632 7.732 -25.859 236 HB2 TRP 28 HB2 TRP 28 2.744 1.764 -24.576 237 HB3 TRP 28 HB3 TRP 28 4.496 1.923 -24.645 238 H VAL 29 H VAL 29 5.934 0.942 -27.377 239 HA VAL 29 HA VAL 29 5.983 -1.891 -26.622 240 HB VAL 29 HB VAL 29 7.867 -0.353 -28.415 241 HG11 VAL 29 HG11 VAL 29 7.733 -3.226 -27.571 242 HG12 VAL 29 HG12 VAL 29 8.470 -2.757 -29.104 243 HG13 VAL 29 HG13 VAL 29 9.118 -2.136 -27.585 244 HG21 VAL 29 HG21 VAL 29 6.770 -1.748 -30.206 245 HG22 VAL 29 HG22 VAL 29 5.538 -2.163 -29.014 246 HG23 VAL 29 HG23 VAL 29 5.761 -0.484 -29.504 247 H GLN 30 H GLN 30 6.813 -2.300 -24.684 248 HA GLN 30 HA GLN 30 8.667 -0.497 -23.414 249 HB2 GLN 30 HB2 GLN 30 7.196 -2.963 -22.627 250 HB3 GLN 30 HB3 GLN 30 8.646 -2.552 -21.722 251 HG2 GLN 30 HG2 GLN 30 7.733 -0.449 -21.069 252 HG3 GLN 30 HG3 GLN 30 6.354 -0.655 -22.149 253 HE21 GLN 30 HE21 GLN 30 5.204 -0.188 -20.107 254 HE22 GLN 30 HE22 GLN 30 4.826 -1.515 -19.068 255 H LYS 31 H LYS 31 10.637 -0.493 -24.364 256 HA LYS 31 HA LYS 31 11.922 -2.908 -25.244 257 HB2 LYS 31 HB2 LYS 31 12.174 -0.296 -25.946 258 HB3 LYS 31 HB3 LYS 31 13.563 -0.480 -24.883 259 HG2 LYS 31 HG2 LYS 31 14.227 -0.890 -27.155 260 HG3 LYS 31 HG3 LYS 31 14.310 -2.398 -26.241 261 HD2 LYS 31 HD2 LYS 31 12.450 -3.290 -27.299 262 HD3 LYS 31 HD3 LYS 31 11.836 -1.705 -27.774 263 HE2 LYS 31 HE2 LYS 31 13.304 -1.528 -29.555 264 HE3 LYS 31 HE3 LYS 31 14.441 -2.685 -28.864 265 HZ1 LYS 31 HZ1 LYS 31 12.177 -3.143 -30.570 266 HZ2 LYS 31 HZ2 LYS 31 12.197 -4.158 -29.217 267 HZ3 LYS 31 HZ3 LYS 31 13.520 -4.127 -30.270 268 H ASN 32 H ASN 32 14.165 -3.444 -24.501 269 HA ASN 32 HA ASN 32 14.214 -4.211 -21.855 270 HB2 ASN 32 HB2 ASN 32 16.530 -3.673 -23.723 271 HB3 ASN 32 HB3 ASN 32 16.690 -4.485 -22.168 272 HD21 ASN 32 HD21 ASN 32 16.618 -5.067 -25.313 273 HD22 ASN 32 HD22 ASN 32 15.889 -6.633 -25.342 274 H ASP 33 H ASP 33 16.228 -1.594 -23.208 275 HA ASP 33 HA ASP 33 16.042 -0.241 -20.596 276 HB2 ASP 33 HB2 ASP 33 18.312 -1.253 -21.242 277 HB3 ASP 33 HB3 ASP 33 18.397 0.021 -22.456 278 H GLU 34 H GLU 34 14.583 -0.031 -23.287 279 HA GLU 34 HA GLU 34 14.715 2.891 -23.416 280 HB2 GLU 34 HB2 GLU 34 15.039 0.997 -25.729 281 HB3 GLU 34 HB3 GLU 34 14.409 2.621 -25.968 282 HG2 GLU 34 HG2 GLU 34 17.012 2.135 -24.567 283 HG3 GLU 34 HG3 GLU 34 16.904 2.240 -26.323 284 H GLU 35 H GLU 35 12.861 3.573 -25.110 285 HA GLU 35 HA GLU 35 10.484 1.922 -24.662 286 HB2 GLU 35 HB2 GLU 35 11.001 4.605 -23.539 287 HB3 GLU 35 HB3 GLU 35 9.422 4.389 -24.281 288 HG2 GLU 35 HG2 GLU 35 10.546 2.568 -22.169 289 HG3 GLU 35 HG3 GLU 35 9.495 3.944 -21.835 290 H ARG 36 H ARG 36 9.550 1.597 -26.559 291 HA ARG 36 HA ARG 36 9.699 3.730 -28.587 292 HE ARG 36 HE ARG 36 13.961 1.736 -29.742 293 HB2 ARG 36 HB2 ARG 36 9.509 0.760 -29.109 294 HB3 ARG 36 HB3 ARG 36 9.719 2.030 -30.307 295 HG2 ARG 36 HG2 ARG 36 11.716 1.434 -28.139 296 HG3 ARG 36 HG3 ARG 36 11.784 0.744 -29.762 297 HD2 ARG 36 HD2 ARG 36 11.634 3.232 -30.522 298 HD3 ARG 36 HD3 ARG 36 12.182 3.573 -28.881 299 HH11 ARG 36 HH11 ARG 36 12.792 4.725 -31.090 300 HH12 ARG 36 HH12 ARG 36 14.269 5.079 -31.923 301 HH21 ARG 36 HH21 ARG 36 15.911 2.190 -30.835 302 HH22 ARG 36 HH22 ARG 36 16.043 3.636 -31.778 303 H LEU 37 H LEU 37 7.914 3.355 -30.323 304 HA LEU 37 HA LEU 37 5.409 2.463 -29.099 305 HG LEU 37 HG LEU 37 3.468 3.866 -28.815 306 HB2 LEU 37 HB2 LEU 37 5.795 4.955 -28.772 307 HB3 LEU 37 HB3 LEU 37 5.609 5.105 -30.518 308 HD11 LEU 37 HD11 LEU 37 4.326 6.404 -28.360 309 HD12 LEU 37 HD12 LEU 37 2.676 5.838 -28.105 310 HD13 LEU 37 HD13 LEU 37 3.102 6.665 -29.603 311 HD21 LEU 37 HD21 LEU 37 2.737 3.478 -30.902 312 HD22 LEU 37 HD22 LEU 37 3.805 4.688 -31.612 313 HD23 LEU 37 HD23 LEU 37 2.283 5.183 -30.872 314 H ALA 38 H ALA 38 4.118 1.404 -30.478 315 HA ALA 38 HA ALA 38 4.460 1.805 -33.360 316 HB1 ALA 38 HB1 ALA 38 4.162 -1.005 -32.479 317 HB2 ALA 38 HB2 ALA 38 5.032 -0.332 -33.858 318 HB3 ALA 38 HB3 ALA 38 5.740 -0.252 -32.245 319 H GLU 39 H GLU 39 2.672 1.021 -34.637 320 HA GLU 39 HA GLU 39 0.171 0.959 -33.092 321 HB2 GLU 39 HB2 GLU 39 0.869 2.664 -35.091 322 HB3 GLU 39 HB3 GLU 39 0.032 1.415 -36.003 323 HG2 GLU 39 HG2 GLU 39 -1.961 1.717 -34.728 324 HG3 GLU 39 HG3 GLU 39 -1.139 2.797 -33.604 325 H ILE 40 H ILE 40 -1.618 -0.315 -34.076 326 HA ILE 40 HA ILE 40 -0.578 -2.903 -34.979 327 HB ILE 40 HB ILE 40 -3.366 -2.306 -33.994 328 HG12 ILE 40 HG12 ILE 40 -1.689 -1.745 -32.265 329 HG13 ILE 40 HG13 ILE 40 -2.661 -3.141 -31.815 330 HG21 ILE 40 HG21 ILE 40 -3.779 -4.409 -34.564 331 HG22 ILE 40 HG22 ILE 40 -2.125 -4.594 -35.143 332 HG23 ILE 40 HG23 ILE 40 -2.515 -4.950 -33.460 333 HD11 ILE 40 HD11 ILE 40 -0.809 -4.290 -31.477 334 HD12 ILE 40 HD12 ILE 40 -0.391 -4.109 -33.180 335 HD13 ILE 40 HD13 ILE 40 0.162 -2.916 -32.004 336 H LEU 41 H LEU 41 -0.906 -3.613 -36.983 337 HA LEU 41 HA LEU 41 -2.782 -2.126 -38.692 338 HG LEU 41 HG LEU 41 0.175 -1.371 -38.776 339 HB2 LEU 41 HB2 LEU 41 -0.294 -3.693 -39.316 340 HB3 LEU 41 HB3 LEU 41 -1.436 -3.194 -40.562 341 HD11 LEU 41 HD11 LEU 41 0.338 -1.853 -41.747 342 HD12 LEU 41 HD12 LEU 41 1.458 -2.503 -40.551 343 HD13 LEU 41 HD13 LEU 41 1.345 -0.760 -40.797 344 HD21 LEU 41 HD21 LEU 41 -2.253 -0.924 -40.254 345 HD22 LEU 41 HD22 LEU 41 -0.937 0.050 -40.911 346 HD23 LEU 41 HD23 LEU 41 -1.359 0.177 -39.203 347 H SER 42 H SER 42 -1.383 -5.400 -38.803 348 HA SER 42 HA SER 42 -4.111 -6.442 -39.207 349 HG SER 42 HG SER 42 -2.652 -6.273 -42.079 350 HB2 SER 42 HB2 SER 42 -1.516 -7.120 -40.539 351 HB3 SER 42 HB3 SER 42 -2.746 -8.373 -40.370 352 H ILE 43 H ILE 43 -4.171 -8.896 -38.720 353 HA ILE 43 HA ILE 43 -2.504 -9.579 -36.411 354 HB ILE 43 HB ILE 43 -5.500 -9.914 -36.340 355 HG12 ILE 43 HG12 ILE 43 -3.815 -7.795 -34.987 356 HG13 ILE 43 HG13 ILE 43 -4.906 -7.517 -36.340 357 HG21 ILE 43 HG21 ILE 43 -4.041 -11.457 -35.002 358 HG22 ILE 43 HG22 ILE 43 -3.499 -10.046 -34.096 359 HG23 ILE 43 HG23 ILE 43 -5.198 -10.517 -34.060 360 HD11 ILE 43 HD11 ILE 43 -6.654 -7.339 -34.992 361 HD12 ILE 43 HD12 ILE 43 -6.247 -8.831 -34.145 362 HD13 ILE 43 HD13 ILE 43 -5.508 -7.306 -33.652 363 H ASN 44 H ASN 44 -2.064 -11.729 -36.198 364 HA ASN 44 HA ASN 44 -3.248 -13.511 -38.225 365 HB2 ASN 44 HB2 ASN 44 -0.505 -12.914 -37.612 366 HB3 ASN 44 HB3 ASN 44 -0.815 -14.620 -37.299 367 HD21 ASN 44 HD21 ASN 44 0.170 -15.548 -38.986 368 HD22 ASN 44 HD22 ASN 44 -0.227 -15.255 -40.642 369 H THR 45 H THR 45 -4.300 -15.256 -37.526 370 HA THR 45 HA THR 45 -4.010 -16.003 -34.689 371 HB THR 45 HB THR 45 -6.342 -17.018 -35.014 372 HG1 THR 45 HG1 THR 45 -6.295 -15.230 -37.237 373 HG21 THR 45 HG21 THR 45 -7.412 -14.677 -34.848 374 HG22 THR 45 HG22 THR 45 -5.758 -14.075 -34.944 375 HG23 THR 45 HG23 THR 45 -6.232 -15.144 -33.624 376 H ARG 46 H ARG 46 -2.229 -17.057 -36.526 377 HA ARG 46 HA ARG 46 -3.216 -19.755 -37.108 378 HE ARG 46 HE ARG 46 -1.060 -21.594 -41.132 379 HB2 ARG 46 HB2 ARG 46 -1.963 -18.270 -38.818 380 HB3 ARG 46 HB3 ARG 46 -0.521 -18.693 -37.905 381 HG2 ARG 46 HG2 ARG 46 -1.465 -21.143 -38.269 382 HG3 ARG 46 HG3 ARG 46 -2.214 -20.367 -39.666 383 HD2 ARG 46 HD2 ARG 46 0.258 -19.395 -39.925 384 HD3 ARG 46 HD3 ARG 46 0.643 -20.894 -39.081 385 HH11 ARG 46 HH11 ARG 46 2.061 -20.083 -40.827 386 HH12 ARG 46 HH12 ARG 46 2.638 -20.666 -42.353 387 HH21 ARG 46 HH21 ARG 46 -0.313 -22.368 -43.143 388 HH22 ARG 46 HH22 ARG 46 1.286 -21.965 -43.670 389 H LYS 47 H LYS 47 -1.969 -18.292 -34.546 390 HA LYS 47 HA LYS 47 -0.757 -20.735 -33.550 391 HB2 LYS 47 HB2 LYS 47 0.753 -18.222 -34.054 392 HB3 LYS 47 HB3 LYS 47 1.101 -19.085 -32.562 393 HG2 LYS 47 HG2 LYS 47 1.179 -20.369 -35.280 394 HG3 LYS 47 HG3 LYS 47 2.585 -19.650 -34.491 395 HD2 LYS 47 HD2 LYS 47 2.585 -21.248 -32.781 396 HD3 LYS 47 HD3 LYS 47 0.924 -21.741 -33.120 397 HE2 LYS 47 HE2 LYS 47 1.755 -22.574 -35.350 398 HE3 LYS 47 HE3 LYS 47 3.391 -22.298 -34.755 399 HZ1 LYS 47 HZ1 LYS 47 1.967 -23.765 -32.834 400 HZ2 LYS 47 HZ2 LYS 47 3.319 -24.243 -33.732 401 HZ3 LYS 47 HZ3 LYS 47 1.763 -24.523 -34.333 402 H ALA 48 H ALA 48 -0.012 -20.257 -31.148 403 HA ALA 48 HA ALA 48 -1.879 -18.409 -29.852 404 HB1 ALA 48 HB1 ALA 48 -1.773 -21.374 -29.445 405 HB2 ALA 48 HB2 ALA 48 -2.317 -20.300 -28.156 406 HB3 ALA 48 HB3 ALA 48 -3.174 -20.333 -29.697 407 HA PRO 49 HA PRO 49 -2.011 -17.037 -28.499 408 HB2 PRO 49 HB2 PRO 49 -0.741 -14.656 -28.203 409 HB3 PRO 49 HB3 PRO 49 -1.259 -15.646 -26.833 410 HG2 PRO 49 HG2 PRO 49 1.453 -15.405 -28.079 411 HG3 PRO 49 HG3 PRO 49 1.011 -15.457 -26.362 412 HD2 PRO 49 HD2 PRO 49 1.964 -17.618 -27.687 413 HD3 PRO 49 HD3 PRO 49 0.795 -17.752 -26.358 414 HA PRO 50 HA PRO 50 -1.627 -15.793 -32.699 415 HB2 PRO 50 HB2 PRO 50 -3.060 -13.489 -32.777 416 HB3 PRO 50 HB3 PRO 50 -3.809 -15.080 -32.598 417 HG2 PRO 50 HG2 PRO 50 -3.181 -13.036 -30.504 418 HG3 PRO 50 HG3 PRO 50 -4.639 -14.025 -30.699 419 HD2 PRO 50 HD2 PRO 50 -2.695 -14.633 -28.916 420 HD3 PRO 50 HD3 PRO 50 -3.665 -15.876 -29.731 421 H LYS 51 H LYS 51 -1.141 -13.792 -34.123 422 HA LYS 51 HA LYS 51 1.039 -12.261 -32.861 423 HB2 LYS 51 HB2 LYS 51 0.906 -13.791 -35.366 424 HB3 LYS 51 HB3 LYS 51 1.599 -12.185 -35.542 425 HG2 LYS 51 HG2 LYS 51 3.526 -12.931 -34.761 426 HG3 LYS 51 HG3 LYS 51 2.747 -13.370 -33.239 427 HD2 LYS 51 HD2 LYS 51 2.824 -15.111 -35.703 428 HD3 LYS 51 HD3 LYS 51 3.913 -15.269 -34.322 429 HE2 LYS 51 HE2 LYS 51 1.188 -15.200 -33.423 430 HE3 LYS 51 HE3 LYS 51 1.377 -16.435 -34.667 431 HZ1 LYS 51 HZ1 LYS 51 1.865 -16.941 -32.155 432 HZ2 LYS 51 HZ2 LYS 51 3.385 -16.305 -32.541 433 HZ3 LYS 51 HZ3 LYS 51 2.790 -17.646 -33.383 434 H PHE 52 H PHE 52 1.445 -10.126 -33.744 435 HA PHE 52 HA PHE 52 -0.836 -8.926 -35.145 436 HD1 PHE 52 HD1 PHE 52 -0.370 -10.143 -31.695 437 HD2 PHE 52 HD2 PHE 52 -2.997 -7.155 -33.206 438 HE1 PHE 52 HE1 PHE 52 -2.237 -11.168 -30.464 439 HE2 PHE 52 HE2 PHE 52 -4.869 -8.174 -31.977 440 HZ PHE 52 HZ PHE 52 -4.490 -10.183 -30.604 441 HB2 PHE 52 HB2 PHE 52 0.419 -7.867 -32.605 442 HB3 PHE 52 HB3 PHE 52 -0.723 -6.970 -33.600 443 H TYR 53 H TYR 53 -0.328 -7.310 -36.557 444 HA TYR 53 HA TYR 53 2.471 -7.032 -37.234 445 HD1 TYR 53 HD1 TYR 53 3.259 -5.137 -39.336 446 HD2 TYR 53 HD2 TYR 53 0.808 -8.488 -40.271 447 HE1 TYR 53 HE1 TYR 53 4.834 -5.787 -41.110 448 HE2 TYR 53 HE2 TYR 53 2.377 -9.147 -42.046 449 HH TYR 53 HH TYR 53 4.132 -8.442 -43.308 450 HB2 TYR 53 HB2 TYR 53 0.078 -6.985 -38.677 451 HB3 TYR 53 HB3 TYR 53 0.678 -5.332 -38.753 452 H VAL 54 H VAL 54 3.749 -5.408 -36.653 453 HA VAL 54 HA VAL 54 2.568 -3.121 -35.260 454 HB VAL 54 HB VAL 54 4.939 -2.623 -34.603 455 HG11 VAL 54 HG11 VAL 54 3.317 -3.917 -33.205 456 HG12 VAL 54 HG12 VAL 54 4.045 -5.396 -33.836 457 HG13 VAL 54 HG13 VAL 54 5.013 -4.272 -32.881 458 HG21 VAL 54 HG21 VAL 54 6.700 -4.042 -35.099 459 HG22 VAL 54 HG22 VAL 54 5.635 -5.388 -35.504 460 HG23 VAL 54 HG23 VAL 54 5.797 -4.027 -36.613 461 H HIS 55 H HIS 55 2.954 -0.998 -35.844 462 HA HIS 55 HA HIS 55 4.240 -0.587 -38.462 463 HD1 HIS 55 HD1 HIS 55 0.754 2.669 -38.554 464 HD2 HIS 55 HD2 HIS 55 4.418 1.452 -40.089 465 HE1 HIS 55 HE1 HIS 55 1.496 4.528 -40.076 466 HB2 HIS 55 HB2 HIS 55 1.894 -0.364 -38.843 467 HB3 HIS 55 HB3 HIS 55 1.686 0.617 -37.396 468 H TYR 56 H TYR 56 5.773 0.933 -38.531 469 HA TYR 56 HA TYR 56 6.208 2.545 -36.122 470 HD1 TYR 56 HD1 TYR 56 7.475 1.039 -34.897 471 HD2 TYR 56 HD2 TYR 56 10.151 3.522 -37.083 472 HE1 TYR 56 HE1 TYR 56 8.840 1.341 -32.873 473 HE2 TYR 56 HE2 TYR 56 11.524 3.829 -35.066 474 HH TYR 56 HH TYR 56 11.342 3.682 -32.676 475 HB2 TYR 56 HB2 TYR 56 7.948 1.036 -37.671 476 HB3 TYR 56 HB3 TYR 56 8.291 2.692 -38.155 477 H VAL 57 H VAL 57 6.130 4.721 -36.127 478 HA VAL 57 HA VAL 57 4.730 6.118 -38.082 479 HB VAL 57 HB VAL 57 5.638 8.189 -36.997 480 HG11 VAL 57 HG11 VAL 57 3.976 6.142 -35.893 481 HG12 VAL 57 HG12 VAL 57 4.845 6.956 -34.591 482 HG13 VAL 57 HG13 VAL 57 3.854 7.892 -35.710 483 HG21 VAL 57 HG21 VAL 57 7.847 7.253 -36.410 484 HG22 VAL 57 HG22 VAL 57 7.029 7.983 -35.028 485 HG23 VAL 57 HG23 VAL 57 7.069 6.228 -35.204 486 H ASN 58 H ASN 58 8.095 5.323 -37.889 487 HA ASN 58 HA ASN 58 9.176 7.306 -39.549 488 HB2 ASN 58 HB2 ASN 58 10.223 5.244 -38.140 489 HB3 ASN 58 HB3 ASN 58 10.334 4.592 -39.772 490 HD21 ASN 58 HD21 ASN 58 12.324 4.837 -40.473 491 HD22 ASN 58 HD22 ASN 58 13.289 6.262 -40.321 492 H TYR 59 H TYR 59 10.427 6.114 -41.651 493 HA TYR 59 HA TYR 59 8.604 6.279 -43.714 494 HD1 TYR 59 HD1 TYR 59 9.294 7.577 -45.255 495 HD2 TYR 59 HD2 TYR 59 13.056 6.389 -43.663 496 HE1 TYR 59 HE1 TYR 59 10.210 9.798 -45.781 497 HE2 TYR 59 HE2 TYR 59 13.983 8.607 -44.183 498 HH TYR 59 HH TYR 59 12.032 11.255 -45.063 499 HB2 TYR 59 HB2 TYR 59 11.285 4.920 -43.534 500 HB3 TYR 59 HB3 TYR 59 10.363 4.949 -45.033 501 H ASN 60 H ASN 60 9.413 3.548 -41.710 502 HA ASN 60 HA ASN 60 8.494 1.479 -41.493 503 HB2 ASN 60 HB2 ASN 60 6.368 2.877 -41.641 504 HB3 ASN 60 HB3 ASN 60 6.286 2.395 -43.333 505 HD21 ASN 60 HD21 ASN 60 7.136 0.664 -40.357 506 HD22 ASN 60 HD22 ASN 60 5.979 -0.603 -40.562 507 H LYS 61 H LYS 61 10.322 2.137 -43.706 508 HA LYS 61 HA LYS 61 9.582 0.802 -46.070 509 HB2 LYS 61 HB2 LYS 61 11.476 2.376 -45.920 510 HB3 LYS 61 HB3 LYS 61 12.350 1.219 -44.924 511 HG2 LYS 61 HG2 LYS 61 12.471 -0.340 -46.749 512 HG3 LYS 61 HG3 LYS 61 11.452 0.697 -47.750 513 HD2 LYS 61 HD2 LYS 61 14.006 1.757 -46.610 514 HD3 LYS 61 HD3 LYS 61 14.037 0.744 -48.054 515 HE2 LYS 61 HE2 LYS 61 12.176 3.078 -47.902 516 HE3 LYS 61 HE3 LYS 61 13.878 3.334 -48.283 517 HZ1 LYS 61 HZ1 LYS 61 13.131 1.273 -49.905 518 HZ2 LYS 61 HZ2 LYS 61 13.310 2.890 -50.370 519 HZ3 LYS 61 HZ3 LYS 61 11.787 2.299 -49.933 520 H ARG 62 H ARG 62 12.045 -0.336 -43.760 521 HA ARG 62 HA ARG 62 11.235 -3.090 -44.393 522 HE ARG 62 HE ARG 62 14.796 -2.619 -40.947 523 HB2 ARG 62 HB2 ARG 62 13.497 -3.674 -43.412 524 HB3 ARG 62 HB3 ARG 62 13.522 -2.780 -44.926 525 HG2 ARG 62 HG2 ARG 62 14.297 -0.852 -43.933 526 HG3 ARG 62 HG3 ARG 62 13.688 -1.304 -42.339 527 HD2 ARG 62 HD2 ARG 62 15.796 -2.987 -43.601 528 HD3 ARG 62 HD3 ARG 62 16.256 -1.431 -42.911 529 HH11 ARG 62 HH11 ARG 62 17.583 -3.547 -42.815 530 HH12 ARG 62 HH12 ARG 62 18.261 -4.528 -41.558 531 HH21 ARG 62 HH21 ARG 62 15.679 -3.906 -39.284 532 HH22 ARG 62 HH22 ARG 62 17.177 -4.732 -39.551 533 H LEU 63 H LEU 63 11.435 -0.752 -41.872 534 HA LEU 63 HA LEU 63 11.533 -2.384 -39.608 535 HG LEU 63 HG LEU 63 11.305 0.706 -37.674 536 HB2 LEU 63 HB2 LEU 63 11.364 0.296 -40.072 537 HB3 LEU 63 HB3 LEU 63 9.770 -0.048 -39.405 538 HD11 LEU 63 HD11 LEU 63 11.010 -2.193 -37.092 539 HD12 LEU 63 HD12 LEU 63 9.557 -1.249 -37.418 540 HD13 LEU 63 HD13 LEU 63 10.626 -0.791 -36.092 541 HD21 LEU 63 HD21 LEU 63 13.212 -0.717 -39.057 542 HD22 LEU 63 HD22 LEU 63 12.953 -1.691 -37.610 543 HD23 LEU 63 HD23 LEU 63 13.413 0.005 -37.460 544 H ASP 64 H ASP 64 8.931 -1.681 -41.805 545 HA ASP 64 HA ASP 64 6.730 -2.372 -40.234 546 HB2 ASP 64 HB2 ASP 64 6.863 -1.401 -42.654 547 HB3 ASP 64 HB3 ASP 64 6.852 -3.093 -43.144 548 H GLU 65 H GLU 65 6.917 -4.161 -38.975 549 HA GLU 65 HA GLU 65 6.962 -6.730 -40.378 550 HB2 GLU 65 HB2 GLU 65 8.476 -7.700 -38.712 551 HB3 GLU 65 HB3 GLU 65 9.247 -6.383 -39.585 552 HG2 GLU 65 HG2 GLU 65 8.360 -4.975 -37.538 553 HG3 GLU 65 HG3 GLU 65 8.413 -6.548 -36.743 554 H TRP 66 H TRP 66 6.573 -8.519 -38.545 555 HA TRP 66 HA TRP 66 4.346 -7.545 -36.878 556 HD1 TRP 66 HD1 TRP 66 5.268 -9.243 -40.548 557 HE1 TRP 66 HE1 TRP 66 6.282 -11.482 -41.313 558 HE3 TRP 66 HE3 TRP 66 3.983 -12.131 -36.530 559 HZ2 TRP 66 HZ2 TRP 66 6.506 -14.123 -40.342 560 HZ3 TRP 66 HZ3 TRP 66 4.634 -14.504 -36.527 561 HH2 TRP 66 HH2 TRP 66 5.869 -15.478 -38.394 562 HB2 TRP 66 HB2 TRP 66 3.352 -9.862 -37.248 563 HB3 TRP 66 HB3 TRP 66 3.325 -8.770 -38.630 564 H ILE 67 H ILE 67 4.249 -8.244 -34.800 565 HA ILE 67 HA ILE 67 6.190 -10.278 -33.940 566 HB ILE 67 HB ILE 67 6.502 -8.909 -31.830 567 HG12 ILE 67 HG12 ILE 67 5.677 -6.551 -33.496 568 HG13 ILE 67 HG13 ILE 67 4.486 -7.411 -32.526 569 HG21 ILE 67 HG21 ILE 67 8.058 -7.245 -33.083 570 HG22 ILE 67 HG22 ILE 67 8.369 -8.978 -33.185 571 HG23 ILE 67 HG23 ILE 67 7.563 -8.147 -34.516 572 HD11 ILE 67 HD11 ILE 67 5.875 -6.991 -30.529 573 HD12 ILE 67 HD12 ILE 67 6.967 -6.035 -31.530 574 HD13 ILE 67 HD13 ILE 67 5.296 -5.517 -31.304 575 H THR 68 H THR 68 5.706 -10.658 -31.417 576 HA THR 68 HA THR 68 2.862 -11.376 -31.317 577 HB THR 68 HB THR 68 3.473 -12.995 -29.595 578 HG1 THR 68 HG1 THR 68 5.851 -13.259 -29.285 579 HG21 THR 68 HG21 THR 68 4.654 -12.993 -32.277 580 HG22 THR 68 HG22 THR 68 3.703 -14.232 -31.459 581 HG23 THR 68 HG23 THR 68 5.434 -14.100 -31.147 582 H THR 69 H THR 69 2.308 -11.679 -28.745 583 HA THR 69 HA THR 69 2.096 -8.982 -27.796 584 HB THR 69 HB THR 69 0.226 -10.495 -27.473 585 HG1 THR 69 HG1 THR 69 1.177 -10.168 -24.851 586 HG21 THR 69 HG21 THR 69 1.142 -12.115 -25.323 587 HG22 THR 69 HG22 THR 69 2.252 -12.323 -26.677 588 HG23 THR 69 HG23 THR 69 0.528 -12.624 -26.896 589 H ASP 70 H ASP 70 4.310 -11.536 -27.327 590 HA ASP 70 HA ASP 70 5.176 -11.221 -24.724 591 HB2 ASP 70 HB2 ASP 70 5.969 -12.839 -26.623 592 HB3 ASP 70 HB3 ASP 70 7.176 -11.592 -26.927 593 H ARG 71 H ARG 71 5.679 -9.149 -27.479 594 HA ARG 71 HA ARG 71 7.470 -7.441 -25.892 595 HE ARG 71 HE ARG 71 9.080 -6.529 -29.931 596 HB2 ARG 71 HB2 ARG 71 6.934 -7.441 -28.869 597 HB3 ARG 71 HB3 ARG 71 8.055 -6.373 -28.036 598 HG2 ARG 71 HG2 ARG 71 9.593 -8.038 -27.674 599 HG3 ARG 71 HG3 ARG 71 8.382 -9.320 -27.755 600 HD2 ARG 71 HD2 ARG 71 9.891 -9.286 -29.713 601 HD3 ARG 71 HD3 ARG 71 8.196 -9.059 -30.142 602 HH11 ARG 71 HH11 ARG 71 10.318 -9.315 -31.613 603 HH12 ARG 71 HH12 ARG 71 11.046 -8.387 -32.883 604 HH21 ARG 71 HH21 ARG 71 10.034 -5.297 -31.596 605 HH22 ARG 71 HH22 ARG 71 10.885 -6.102 -32.871 606 H ILE 72 H ILE 72 4.345 -7.627 -27.349 607 HA ILE 72 HA ILE 72 3.873 -4.765 -26.927 608 HB ILE 72 HB ILE 72 2.129 -6.825 -28.283 609 HG12 ILE 72 HG12 ILE 72 3.566 -4.525 -29.592 610 HG13 ILE 72 HG13 ILE 72 4.341 -6.091 -29.384 611 HG21 ILE 72 HG21 ILE 72 0.470 -5.361 -28.147 612 HG22 ILE 72 HG22 ILE 72 1.502 -4.266 -27.230 613 HG23 ILE 72 HG23 ILE 72 1.453 -4.164 -28.989 614 HD11 ILE 72 HD11 ILE 72 3.319 -5.753 -31.611 615 HD12 ILE 72 HD12 ILE 72 2.690 -7.155 -30.746 616 HD13 ILE 72 HD13 ILE 72 1.740 -5.671 -30.831 617 H ASN 73 H ASN 73 3.059 -4.158 -25.043 618 HA ASN 73 HA ASN 73 1.493 -6.082 -23.475 619 HB2 ASN 73 HB2 ASN 73 3.592 -4.727 -22.616 620 HB3 ASN 73 HB3 ASN 73 2.399 -3.456 -22.366 621 HD21 ASN 73 HD21 ASN 73 3.165 -3.820 -20.118 622 HD22 ASN 73 HD22 ASN 73 2.337 -5.009 -19.176 623 H LEU 74 H LEU 74 -0.562 -5.647 -22.775 624 HA LEU 74 HA LEU 74 -2.183 -3.981 -24.342 625 HG LEU 74 HG LEU 74 -4.332 -6.657 -22.961 626 HB2 LEU 74 HB2 LEU 74 -2.571 -5.468 -21.781 627 HB3 LEU 74 HB3 LEU 74 -3.819 -4.357 -22.342 628 HD11 LEU 74 HD11 LEU 74 -4.819 -4.615 -24.452 629 HD12 LEU 74 HD12 LEU 74 -4.992 -6.227 -25.145 630 HD13 LEU 74 HD13 LEU 74 -3.555 -5.266 -25.496 631 HD21 LEU 74 HD21 LEU 74 -2.942 -7.857 -24.572 632 HD22 LEU 74 HD22 LEU 74 -2.053 -7.521 -23.085 633 HD23 LEU 74 HD23 LEU 74 -1.756 -6.551 -24.528 634 H ASP 75 H ASP 75 -3.806 -2.433 -23.075 635 HA ASP 75 HA ASP 75 -2.109 -0.445 -21.721 636 HB2 ASP 75 HB2 ASP 75 -3.283 0.060 -23.984 637 HB3 ASP 75 HB3 ASP 75 -4.743 0.203 -23.010 638 H LYS 76 H LYS 76 -3.429 -2.685 -20.412 639 HA LYS 76 HA LYS 76 -5.251 -1.179 -18.651 640 HB2 LYS 76 HB2 LYS 76 -5.511 -3.863 -19.870 641 HB3 LYS 76 HB3 LYS 76 -5.982 -3.740 -18.181 642 HG2 LYS 76 HG2 LYS 76 -7.890 -3.428 -19.650 643 HG3 LYS 76 HG3 LYS 76 -7.549 -1.957 -18.737 644 HD2 LYS 76 HD2 LYS 76 -6.970 -0.787 -20.587 645 HD3 LYS 76 HD3 LYS 76 -6.226 -2.185 -21.366 646 HE2 LYS 76 HE2 LYS 76 -8.291 -2.987 -22.142 647 HE3 LYS 76 HE3 LYS 76 -9.202 -1.958 -21.038 648 HZ1 LYS 76 HZ1 LYS 76 -7.624 -0.318 -22.664 649 HZ2 LYS 76 HZ2 LYS 76 -9.311 -0.430 -22.614 650 HZ3 LYS 76 HZ3 LYS 76 -8.430 -1.413 -23.671 651 H GLU 77 H GLU 77 -5.394 -2.212 -16.421 652 HA GLU 77 HA GLU 77 -2.779 -2.299 -15.307 653 HB2 GLU 77 HB2 GLU 77 -3.963 -2.756 -13.170 654 HB3 GLU 77 HB3 GLU 77 -4.584 -1.351 -14.024 655 HG2 GLU 77 HG2 GLU 77 -6.470 -2.638 -14.831 656 HG3 GLU 77 HG3 GLU 77 -5.834 -4.088 -14.057 657 H VAL 78 H VAL 78 -1.583 -3.986 -14.555 658 HA VAL 78 HA VAL 78 -2.603 -6.686 -15.155 659 HB VAL 78 HB VAL 78 -0.307 -7.401 -15.502 660 HG11 VAL 78 HG11 VAL 78 -0.635 -4.888 -17.108 661 HG12 VAL 78 HG12 VAL 78 0.025 -6.445 -17.610 662 HG13 VAL 78 HG13 VAL 78 -1.707 -6.270 -17.328 663 HG21 VAL 78 HG21 VAL 78 1.547 -5.818 -15.492 664 HG22 VAL 78 HG22 VAL 78 0.455 -4.527 -14.992 665 HG23 VAL 78 HG23 VAL 78 0.772 -5.882 -13.909 666 H LEU 79 H LEU 79 -1.681 -8.431 -13.800 667 HA LEU 79 HA LEU 79 -1.353 -7.509 -11.022 668 HG LEU 79 HG LEU 79 -4.091 -8.006 -11.846 669 HB2 LEU 79 HB2 LEU 79 -2.597 -9.993 -12.168 670 HB3 LEU 79 HB3 LEU 79 -2.154 -9.859 -10.467 671 HD11 LEU 79 HD11 LEU 79 -4.542 -10.571 -10.353 672 HD12 LEU 79 HD12 LEU 79 -5.148 -10.097 -11.939 673 HD13 LEU 79 HD13 LEU 79 -5.786 -9.328 -10.486 674 HD21 LEU 79 HD21 LEU 79 -3.986 -6.833 -9.968 675 HD22 LEU 79 HD22 LEU 79 -2.772 -7.942 -9.330 676 HD23 LEU 79 HD23 LEU 79 -4.486 -8.254 -9.049 677 H TYR 80 H TYR 80 0.876 -7.359 -10.987 678 HA TYR 80 HA TYR 80 2.358 -9.856 -11.475 679 HD1 TYR 80 HD1 TYR 80 1.479 -7.768 -13.772 680 HD2 TYR 80 HD2 TYR 80 5.485 -9.074 -13.182 681 HE1 TYR 80 HE1 TYR 80 1.629 -8.367 -16.153 682 HE2 TYR 80 HE2 TYR 80 5.646 -9.676 -15.561 683 HH TYR 80 HH TYR 80 4.550 -9.044 -17.698 684 HB2 TYR 80 HB2 TYR 80 3.087 -6.973 -11.784 685 HB3 TYR 80 HB3 TYR 80 4.355 -8.134 -11.407 686 HA PRO 81 HA PRO 81 2.400 -9.422 -6.906 687 HB2 PRO 81 HB2 PRO 81 2.444 -12.098 -6.448 688 HB3 PRO 81 HB3 PRO 81 0.950 -11.197 -6.736 689 HG2 PRO 81 HG2 PRO 81 2.556 -12.860 -8.638 690 HG3 PRO 81 HG3 PRO 81 0.797 -12.786 -8.426 691 HD2 PRO 81 HD2 PRO 81 2.078 -11.491 -10.429 692 HD3 PRO 81 HD3 PRO 81 0.600 -10.859 -9.675 693 H LYS 82 H LYS 82 4.496 -8.592 -6.823 694 HA LYS 82 HA LYS 82 6.602 -10.625 -6.578 695 HB2 LYS 82 HB2 LYS 82 6.847 -9.498 -8.760 696 HB3 LYS 82 HB3 LYS 82 6.929 -7.945 -7.940 697 HG2 LYS 82 HG2 LYS 82 9.141 -8.720 -8.575 698 HG3 LYS 82 HG3 LYS 82 8.982 -8.635 -6.819 699 HD2 LYS 82 HD2 LYS 82 8.695 -11.013 -6.671 700 HD3 LYS 82 HD3 LYS 82 8.622 -11.160 -8.428 701 HE2 LYS 82 HE2 LYS 82 11.029 -9.946 -7.143 702 HE3 LYS 82 HE3 LYS 82 10.836 -11.698 -7.144 703 HZ1 LYS 82 HZ1 LYS 82 10.732 -10.020 -9.590 704 HZ2 LYS 82 HZ2 LYS 82 10.760 -11.710 -9.512 705 HZ3 LYS 82 HZ3 LYS 82 12.122 -10.819 -9.051 706 H LEU 83 H LEU 83 7.719 -10.482 -4.738 707 HA LEU 83 HA LEU 83 7.273 -8.141 -3.035 708 HG LEU 83 HG LEU 83 6.063 -9.129 -1.180 709 HB2 LEU 83 HB2 LEU 83 8.007 -10.987 -2.538 710 HB3 LEU 83 HB3 LEU 83 8.476 -9.766 -1.357 711 HD11 LEU 83 HD11 LEU 83 4.794 -9.837 -2.885 712 HD12 LEU 83 HD12 LEU 83 4.700 -11.342 -1.971 713 HD13 LEU 83 HD13 LEU 83 5.878 -11.173 -3.271 714 HD21 LEU 83 HD21 LEU 83 6.353 -12.032 -0.529 715 HD22 LEU 83 HD22 LEU 83 5.623 -10.736 0.419 716 HD23 LEU 83 HD23 LEU 83 7.377 -10.839 0.270 717 H LYS 84 H LYS 84 9.229 -7.715 -1.507 718 HA LYS 84 HA LYS 84 11.298 -6.623 -3.017 719 HB2 LYS 84 HB2 LYS 84 12.473 -6.318 -0.869 720 HB3 LYS 84 HB3 LYS 84 10.786 -5.832 -0.778 721 HG2 LYS 84 HG2 LYS 84 10.372 -8.195 0.146 722 HG3 LYS 84 HG3 LYS 84 12.117 -8.235 0.408 723 HD2 LYS 84 HD2 LYS 84 12.049 -6.510 1.965 724 HD3 LYS 84 HD3 LYS 84 10.486 -5.923 1.391 725 HE2 LYS 84 HE2 LYS 84 9.829 -6.965 3.315 726 HE3 LYS 84 HE3 LYS 84 9.691 -8.311 2.184 727 HZ1 LYS 84 HZ1 LYS 84 11.121 -9.429 3.424 728 HZ2 LYS 84 HZ2 LYS 84 11.297 -8.117 4.477 729 HZ3 LYS 84 HZ3 LYS 84 12.312 -8.264 3.133 730 H ALA 85 H ALA 85 13.302 -7.294 -3.620 731 HA ALA 85 HA ALA 85 13.948 -10.122 -3.102 732 HB1 ALA 85 HB1 ALA 85 15.413 -9.707 -5.245 733 HB2 ALA 85 HB2 ALA 85 13.693 -10.076 -5.377 734 HB3 ALA 85 HB3 ALA 85 14.250 -8.409 -5.518 735 H THR 86 H THR 86 16.206 -10.680 -2.909 736 HA THR 86 HA THR 86 17.760 -8.514 -1.668 737 HB THR 86 HB THR 86 18.426 -11.424 -1.354 738 HG1 THR 86 HG1 THR 86 17.028 -11.450 0.461 739 HG21 THR 86 HG21 THR 86 18.938 -8.887 0.161 740 HG22 THR 86 HG22 THR 86 20.092 -10.086 -0.421 741 HG23 THR 86 HG23 THR 86 19.058 -10.454 0.960 742 H ASP 87 H ASP 87 19.810 -8.044 -2.324 743 HA ASP 87 HA ASP 87 20.782 -9.479 -4.707 744 HB2 ASP 87 HB2 ASP 87 21.786 -7.426 -5.468 745 HB3 ASP 87 HB3 ASP 87 20.097 -7.103 -5.082 746 H GLU 88 H GLU 88 23.288 -8.858 -4.965 747 HA GLU 88 HA GLU 88 24.674 -10.351 -3.091 748 HB2 GLU 88 HB2 GLU 88 25.573 -8.276 -5.073 749 HB3 GLU 88 HB3 GLU 88 26.723 -9.091 -4.023 750 HG2 GLU 88 HG2 GLU 88 25.752 -11.265 -4.926 751 HG3 GLU 88 HG3 GLU 88 24.995 -10.270 -6.168 752 H ASP 89 H ASP 89 26.273 -9.735 -1.515 753 HA ASP 89 HA ASP 89 25.476 -7.321 -0.053 754 HB2 ASP 89 HB2 ASP 89 26.257 -8.350 1.917 755 HB3 ASP 89 HB3 ASP 89 25.475 -9.651 1.022 Start of MODEL 12 1 HA MET -4 HA MET -4 13.686 -15.505 -51.128 2 H1 MET -4 H1 MET -4 14.165 -18.412 -51.212 3 HB2 MET -4 HB2 MET -4 12.027 -17.756 -52.219 4 HB3 MET -4 HB3 MET -4 11.265 -16.258 -51.703 5 HG2 MET -4 HG2 MET -4 13.499 -16.364 -53.708 6 HG3 MET -4 HG3 MET -4 11.794 -16.433 -54.147 7 HE1 MET -4 HE1 MET -4 11.951 -13.640 -55.627 8 HE2 MET -4 HE2 MET -4 13.514 -13.024 -55.089 9 HE3 MET -4 HE3 MET -4 13.341 -14.723 -55.526 10 H GLY -3 H GLY -3 11.372 -15.187 -49.982 11 HA2 GLY -3 HA2 GLY -3 11.738 -16.369 -47.317 12 HA3 GLY -3 HA3 GLY -3 10.871 -14.881 -47.670 13 H SER -2 H SER -2 8.857 -15.215 -46.966 14 HA SER -2 HA SER -2 6.738 -16.038 -46.857 15 HG SER -2 HG SER -2 5.103 -17.248 -48.026 16 HB2 SER -2 HB2 SER -2 7.353 -16.318 -49.448 17 HB3 SER -2 HB3 SER -2 7.177 -18.023 -49.031 18 H SER -1 H SER -1 9.281 -17.518 -45.824 19 HA SER -1 HA SER -1 8.335 -20.230 -45.529 20 HG SER -1 HG SER -1 11.273 -21.175 -44.065 21 HB2 SER -1 HB2 SER -1 10.718 -19.909 -45.708 22 HB3 SER -1 HB3 SER -1 10.713 -18.769 -44.362 23 H HIS 0 H HIS 0 8.141 -21.230 -43.363 24 HA HIS 0 HA HIS 0 7.384 -19.446 -41.196 25 HD1 HIS 0 HD1 HIS 0 5.272 -17.867 -41.005 26 HD2 HIS 0 HD2 HIS 0 4.349 -19.927 -44.493 27 HE1 HIS 0 HE1 HIS 0 4.142 -16.188 -42.498 28 HB2 HIS 0 HB2 HIS 0 5.444 -21.368 -42.489 29 HB3 HIS 0 HB3 HIS 0 5.190 -20.645 -40.904 30 H HIS 1 H HIS 1 6.741 -20.764 -39.216 31 HA HIS 1 HA HIS 1 8.625 -22.991 -38.988 32 HD1 HIS 1 HD1 HIS 1 9.092 -19.449 -38.124 33 HD2 HIS 1 HD2 HIS 1 10.724 -22.725 -36.158 34 HE1 HIS 1 HE1 HIS 1 11.515 -18.880 -37.766 35 HB2 HIS 1 HB2 HIS 1 7.343 -21.126 -37.019 36 HB3 HIS 1 HB3 HIS 1 7.999 -22.666 -36.471 37 H HIS 2 H HIS 2 6.893 -24.166 -40.330 38 HA HIS 2 HA HIS 2 4.546 -25.024 -38.900 39 HD1 HIS 2 HD1 HIS 2 5.112 -23.510 -42.650 40 HD2 HIS 2 HD2 HIS 2 1.976 -25.251 -40.554 41 HE1 HIS 2 HE1 HIS 2 3.079 -22.150 -43.231 42 HB2 HIS 2 HB2 HIS 2 5.758 -25.682 -41.566 43 HB3 HIS 2 HB3 HIS 2 4.460 -26.677 -40.914 44 H HIS 3 H HIS 3 5.992 -25.734 -37.046 45 HA HIS 3 HA HIS 3 6.943 -28.487 -37.482 46 HD1 HIS 3 HD1 HIS 3 9.755 -25.209 -36.489 47 HD2 HIS 3 HD2 HIS 3 9.435 -29.109 -37.885 48 HE1 HIS 3 HE1 HIS 3 11.680 -25.514 -38.078 49 HB2 HIS 3 HB2 HIS 3 7.798 -26.355 -35.537 50 HB3 HIS 3 HB3 HIS 3 8.165 -28.054 -35.252 51 H HIS 4 H HIS 4 6.935 -29.634 -35.139 52 HA HIS 4 HA HIS 4 4.230 -29.281 -34.030 53 HD1 HIS 4 HD1 HIS 4 2.254 -30.337 -33.653 54 HD2 HIS 4 HD2 HIS 4 4.293 -33.923 -33.162 55 HE1 HIS 4 HE1 HIS 4 0.742 -31.784 -32.258 56 HB2 HIS 4 HB2 HIS 4 4.410 -31.272 -35.543 57 HB3 HIS 4 HB3 HIS 4 5.613 -31.938 -34.443 58 H HIS 5 H HIS 5 4.159 -29.029 -31.894 59 HA HIS 5 HA HIS 5 6.206 -30.220 -30.201 60 HD1 HIS 5 HD1 HIS 5 7.319 -26.323 -31.993 61 HD2 HIS 5 HD2 HIS 5 8.843 -29.663 -30.047 62 HE1 HIS 5 HE1 HIS 5 9.644 -26.629 -32.902 63 HB2 HIS 5 HB2 HIS 5 5.707 -27.249 -30.384 64 HB3 HIS 5 HB3 HIS 5 6.497 -28.001 -29.001 65 H SER 6 H SER 6 5.376 -30.946 -28.340 66 HA SER 6 HA SER 6 2.582 -30.302 -27.756 67 HG SER 6 HG SER 6 3.785 -33.232 -28.637 68 HB2 SER 6 HB2 SER 6 4.366 -32.518 -26.718 69 HB3 SER 6 HB3 SER 6 2.674 -32.295 -26.271 70 H SER 7 H SER 7 3.219 -28.177 -26.926 71 HA SER 7 HA SER 7 3.748 -28.330 -24.066 72 HG SER 7 HG SER 7 6.430 -28.722 -25.145 73 HB2 SER 7 HB2 SER 7 5.519 -26.956 -26.050 74 HB3 SER 7 HB3 SER 7 5.305 -26.235 -24.455 75 H GLY 8 H GLY 8 2.140 -27.267 -23.131 76 HA2 GLY 8 HA2 GLY 8 0.904 -25.021 -24.584 77 HA3 GLY 8 HA3 GLY 8 0.108 -25.990 -23.352 78 H LEU 9 H LEU 9 2.147 -23.280 -23.989 79 HA LEU 9 HA LEU 9 2.011 -22.560 -21.141 80 HG LEU 9 HG LEU 9 3.980 -24.396 -21.466 81 HB2 LEU 9 HB2 LEU 9 4.360 -22.268 -23.002 82 HB3 LEU 9 HB3 LEU 9 4.235 -21.433 -21.455 83 HD11 LEU 9 HD11 LEU 9 6.644 -23.000 -21.630 84 HD12 LEU 9 HD12 LEU 9 5.901 -23.889 -22.959 85 HD13 LEU 9 HD13 LEU 9 6.352 -24.733 -21.478 86 HD21 LEU 9 HD21 LEU 9 4.913 -22.241 -19.620 87 HD22 LEU 9 HD22 LEU 9 5.470 -23.898 -19.388 88 HD23 LEU 9 HD23 LEU 9 3.745 -23.534 -19.341 89 H VAL 10 H VAL 10 0.378 -21.844 -23.509 90 HA VAL 10 HA VAL 10 0.974 -19.232 -24.379 91 HB VAL 10 HB VAL 10 -1.491 -19.112 -24.923 92 HG11 VAL 10 HG11 VAL 10 -1.205 -20.338 -26.842 93 HG12 VAL 10 HG12 VAL 10 0.469 -20.174 -26.309 94 HG13 VAL 10 HG13 VAL 10 -0.411 -21.671 -26.003 95 HG21 VAL 10 HG21 VAL 10 -2.955 -20.769 -24.379 96 HG22 VAL 10 HG22 VAL 10 -1.708 -22.016 -24.359 97 HG23 VAL 10 HG23 VAL 10 -1.869 -20.908 -22.996 98 HA PRO 11 HA PRO 11 -0.164 -16.642 -21.021 99 HB2 PRO 11 HB2 PRO 11 -1.189 -14.497 -22.332 100 HB3 PRO 11 HB3 PRO 11 0.538 -14.871 -22.305 101 HG2 PRO 11 HG2 PRO 11 -1.490 -15.439 -24.432 102 HG3 PRO 11 HG3 PRO 11 0.168 -14.831 -24.600 103 HD2 PRO 11 HD2 PRO 11 -0.484 -17.423 -25.032 104 HD3 PRO 11 HD3 PRO 11 1.094 -16.931 -24.384 105 H ARG 12 H ARG 12 -1.879 -18.246 -20.426 106 HA ARG 12 HA ARG 12 -4.546 -17.050 -20.792 107 HE ARG 12 HE ARG 12 -8.280 -19.758 -22.094 108 HB2 ARG 12 HB2 ARG 12 -4.078 -19.304 -21.970 109 HB3 ARG 12 HB3 ARG 12 -4.137 -19.995 -20.353 110 HG2 ARG 12 HG2 ARG 12 -6.301 -20.288 -21.006 111 HG3 ARG 12 HG3 ARG 12 -6.420 -18.706 -20.232 112 HD2 ARG 12 HD2 ARG 12 -6.437 -17.583 -22.304 113 HD3 ARG 12 HD3 ARG 12 -5.892 -19.016 -23.174 114 HH11 ARG 12 HH11 ARG 12 -7.222 -17.142 -24.133 115 HH12 ARG 12 HH12 ARG 12 -8.742 -16.992 -24.951 116 HH21 ARG 12 HH21 ARG 12 -10.286 -19.570 -23.162 117 HH22 ARG 12 HH22 ARG 12 -10.485 -18.373 -24.397 118 H GLY 13 H GLY 13 -5.975 -17.176 -19.012 119 HA2 GLY 13 HA2 GLY 13 -6.435 -17.959 -16.752 120 HA3 GLY 13 HA3 GLY 13 -4.703 -17.936 -16.459 121 H SER 14 H SER 14 -7.128 -15.618 -17.676 122 HA SER 14 HA SER 14 -7.482 -13.419 -17.201 123 HG SER 14 HG SER 14 -9.135 -13.263 -15.515 124 HB2 SER 14 HB2 SER 14 -6.847 -14.620 -14.530 125 HB3 SER 14 HB3 SER 14 -7.073 -12.876 -14.663 126 H HIS 15 H HIS 15 -4.850 -14.190 -18.168 127 HA HIS 15 HA HIS 15 -3.047 -12.333 -16.815 128 HD1 HIS 15 HD1 HIS 15 0.164 -14.141 -19.553 129 HD2 HIS 15 HD2 HIS 15 -0.906 -12.154 -16.064 130 HE1 HIS 15 HE1 HIS 15 2.292 -13.128 -18.677 131 HB2 HIS 15 HB2 HIS 15 -2.404 -14.704 -17.630 132 HB3 HIS 15 HB3 HIS 15 -2.342 -13.978 -19.233 133 H MET 16 H MET 16 -3.707 -13.029 -20.251 134 HA MET 16 HA MET 16 -3.847 -10.128 -20.721 135 HB2 MET 16 HB2 MET 16 -2.575 -12.052 -22.660 136 HB3 MET 16 HB3 MET 16 -2.520 -10.295 -22.685 137 HG2 MET 16 HG2 MET 16 -1.228 -12.045 -20.606 138 HG3 MET 16 HG3 MET 16 -0.403 -11.299 -21.973 139 HE1 MET 16 HE1 MET 16 1.296 -9.943 -21.030 140 HE2 MET 16 HE2 MET 16 0.429 -8.726 -21.968 141 HE3 MET 16 HE3 MET 16 1.000 -8.345 -20.343 142 H SER 17 H SER 17 -4.983 -9.537 -22.716 143 HA SER 17 HA SER 17 -6.819 -11.585 -23.726 144 HG SER 17 HG SER 17 -8.854 -11.549 -22.332 145 HB2 SER 17 HB2 SER 17 -7.584 -9.022 -22.355 146 HB3 SER 17 HB3 SER 17 -8.639 -9.726 -23.580 147 H VAL 18 H VAL 18 -7.072 -11.490 -25.866 148 HA VAL 18 HA VAL 18 -5.758 -9.362 -27.334 149 HB VAL 18 HB VAL 18 -5.511 -11.763 -27.982 150 HG11 VAL 18 HG11 VAL 18 -8.139 -12.012 -27.610 151 HG12 VAL 18 HG12 VAL 18 -8.139 -11.704 -29.347 152 HG13 VAL 18 HG13 VAL 18 -7.229 -13.066 -28.692 153 HG21 VAL 18 HG21 VAL 18 -5.334 -9.667 -29.526 154 HG22 VAL 18 HG22 VAL 18 -5.306 -11.284 -30.229 155 HG23 VAL 18 HG23 VAL 18 -6.789 -10.330 -30.271 156 H ASP 19 H ASP 19 -8.816 -9.881 -26.118 157 HA ASP 19 HA ASP 19 -10.401 -8.862 -28.260 158 HB2 ASP 19 HB2 ASP 19 -11.075 -10.235 -26.109 159 HB3 ASP 19 HB3 ASP 19 -11.271 -8.631 -25.408 160 H ASP 20 H ASP 20 -8.193 -7.409 -26.218 161 HA ASP 20 HA ASP 20 -9.542 -4.808 -26.271 162 HB2 ASP 20 HB2 ASP 20 -8.455 -5.770 -24.153 163 HB3 ASP 20 HB3 ASP 20 -6.914 -5.404 -24.925 164 H ILE 21 H ILE 21 -8.234 -6.215 -28.591 165 HA ILE 21 HA ILE 21 -6.476 -3.989 -29.372 166 HB ILE 21 HB ILE 21 -6.025 -6.904 -30.022 167 HG12 ILE 21 HG12 ILE 21 -4.423 -4.959 -28.346 168 HG13 ILE 21 HG13 ILE 21 -5.365 -6.315 -27.737 169 HG21 ILE 21 HG21 ILE 21 -4.478 -4.456 -30.862 170 HG22 ILE 21 HG22 ILE 21 -3.995 -6.124 -31.160 171 HG23 ILE 21 HG23 ILE 21 -5.457 -5.483 -31.908 172 HD11 ILE 21 HD11 ILE 21 -3.018 -6.864 -27.771 173 HD12 ILE 21 HD12 ILE 21 -3.886 -7.856 -28.942 174 HD13 ILE 21 HD13 ILE 21 -2.926 -6.481 -29.490 175 H ILE 22 H ILE 22 -6.821 -3.151 -31.360 176 HA ILE 22 HA ILE 22 -8.623 -4.587 -33.184 177 HB ILE 22 HB ILE 22 -9.860 -2.581 -33.692 178 HG12 ILE 22 HG12 ILE 22 -8.125 -1.229 -31.613 179 HG13 ILE 22 HG13 ILE 22 -8.057 -0.950 -33.349 180 HG21 ILE 22 HG21 ILE 22 -10.603 -3.989 -31.804 181 HG22 ILE 22 HG22 ILE 22 -9.720 -2.934 -30.701 182 HG23 ILE 22 HG23 ILE 22 -11.081 -2.301 -31.627 183 HD11 ILE 22 HD11 ILE 22 -10.727 -0.540 -32.557 184 HD12 ILE 22 HD12 ILE 22 -9.702 0.298 -31.392 185 HD13 ILE 22 HD13 ILE 22 -9.554 0.654 -33.114 186 H ILE 23 H ILE 23 -8.762 -2.935 -35.269 187 HA ILE 23 HA ILE 23 -6.052 -2.982 -36.293 188 HB ILE 23 HB ILE 23 -8.541 -2.103 -37.752 189 HG12 ILE 23 HG12 ILE 23 -8.883 -4.355 -36.853 190 HG13 ILE 23 HG13 ILE 23 -8.682 -4.409 -38.601 191 HG21 ILE 23 HG21 ILE 23 -7.143 -1.705 -39.428 192 HG22 ILE 23 HG22 ILE 23 -5.779 -2.234 -38.444 193 HG23 ILE 23 HG23 ILE 23 -6.669 -3.404 -39.418 194 HD11 ILE 23 HD11 ILE 23 -6.271 -4.994 -38.185 195 HD12 ILE 23 HD12 ILE 23 -6.703 -5.198 -36.488 196 HD13 ILE 23 HD13 ILE 23 -7.455 -6.215 -37.718 197 H LYS 24 H LYS 24 -4.873 -1.236 -36.997 198 HA LYS 24 HA LYS 24 -4.116 0.908 -37.081 199 HB2 LYS 24 HB2 LYS 24 -7.015 1.749 -37.003 200 HB3 LYS 24 HB3 LYS 24 -5.654 2.661 -37.644 201 HG2 LYS 24 HG2 LYS 24 -5.378 0.774 -39.323 202 HG3 LYS 24 HG3 LYS 24 -6.968 0.221 -38.793 203 HD2 LYS 24 HD2 LYS 24 -7.985 2.276 -39.478 204 HD3 LYS 24 HD3 LYS 24 -6.411 3.008 -39.799 205 HE2 LYS 24 HE2 LYS 24 -6.031 1.356 -41.582 206 HE3 LYS 24 HE3 LYS 24 -7.626 0.672 -41.274 207 HZ1 LYS 24 HZ1 LYS 24 -8.673 2.454 -42.204 208 HZ2 LYS 24 HZ2 LYS 24 -7.261 2.449 -43.136 209 HZ3 LYS 24 HZ3 LYS 24 -7.423 3.538 -41.852 210 H CYS 25 H CYS 25 -4.495 -0.390 -34.533 211 HA CYS 25 HA CYS 25 -5.291 1.788 -32.754 212 HG CYS 25 HG CYS 25 -5.018 -0.210 -29.440 213 HB2 CYS 25 HB2 CYS 25 -5.941 -0.729 -32.488 214 HB3 CYS 25 HB3 CYS 25 -4.326 -0.890 -31.807 215 H GLN 26 H GLN 26 -3.898 2.339 -30.919 216 HA GLN 26 HA GLN 26 -1.116 2.520 -31.786 217 HB2 GLN 26 HB2 GLN 26 -0.891 4.260 -30.094 218 HB3 GLN 26 HB3 GLN 26 -2.270 4.589 -31.133 219 HG2 GLN 26 HG2 GLN 26 -3.565 3.300 -29.230 220 HG3 GLN 26 HG3 GLN 26 -2.188 3.835 -28.266 221 HE21 GLN 26 HE21 GLN 26 -3.411 5.228 -27.025 222 HE22 GLN 26 HE22 GLN 26 -4.061 6.703 -27.646 223 H CYS 27 H CYS 27 0.449 1.329 -30.925 224 HA CYS 27 HA CYS 27 -0.021 0.076 -28.302 225 HG CYS 27 HG CYS 27 -0.560 -2.846 -28.308 226 HB2 CYS 27 HB2 CYS 27 0.851 -1.135 -30.876 227 HB3 CYS 27 HB3 CYS 27 1.609 -1.733 -29.405 228 H TRP 28 H TRP 28 1.451 0.590 -26.832 229 HA TRP 28 HA TRP 28 3.941 1.848 -27.705 230 HD1 TRP 28 HD1 TRP 28 0.842 3.807 -26.221 231 HE1 TRP 28 HE1 TRP 28 1.322 6.251 -26.870 232 HE3 TRP 28 HE3 TRP 28 5.951 3.701 -26.063 233 HZ2 TRP 28 HZ2 TRP 28 3.569 7.914 -27.264 234 HZ3 TRP 28 HZ3 TRP 28 7.190 5.760 -26.590 235 HH2 TRP 28 HH2 TRP 28 6.022 7.822 -27.178 236 HB2 TRP 28 HB2 TRP 28 2.324 1.889 -25.199 237 HB3 TRP 28 HB3 TRP 28 4.058 2.171 -25.069 238 H VAL 29 H VAL 29 5.853 0.862 -27.588 239 HA VAL 29 HA VAL 29 5.974 -1.778 -26.318 240 HB VAL 29 HB VAL 29 7.877 -0.489 -28.280 241 HG11 VAL 29 HG11 VAL 29 7.920 -3.082 -26.804 242 HG12 VAL 29 HG12 VAL 29 8.599 -2.997 -28.431 243 HG13 VAL 29 HG13 VAL 29 9.238 -1.964 -27.151 244 HG21 VAL 29 HG21 VAL 29 6.982 -2.301 -29.796 245 HG22 VAL 29 HG22 VAL 29 5.704 -2.545 -28.605 246 HG23 VAL 29 HG23 VAL 29 5.862 -0.990 -29.422 247 H GLN 30 H GLN 30 6.721 -1.804 -24.306 248 HA GLN 30 HA GLN 30 8.462 0.295 -23.332 249 HB2 GLN 30 HB2 GLN 30 6.956 -1.971 -22.098 250 HB3 GLN 30 HB3 GLN 30 8.309 -1.277 -21.214 251 HG2 GLN 30 HG2 GLN 30 7.258 0.734 -20.901 252 HG3 GLN 30 HG3 GLN 30 6.230 0.541 -22.321 253 HE21 GLN 30 HE21 GLN 30 6.657 -0.203 -18.965 254 HE22 GLN 30 HE22 GLN 30 5.069 -0.823 -18.685 255 H LYS 31 H LYS 31 10.506 0.114 -24.057 256 HA LYS 31 HA LYS 31 11.818 -2.429 -24.339 257 HB2 LYS 31 HB2 LYS 31 12.166 -0.023 -25.534 258 HB3 LYS 31 HB3 LYS 31 13.449 0.038 -24.332 259 HG2 LYS 31 HG2 LYS 31 14.352 -0.829 -26.364 260 HG3 LYS 31 HG3 LYS 31 14.277 -2.141 -25.186 261 HD2 LYS 31 HD2 LYS 31 11.885 -2.463 -26.351 262 HD3 LYS 31 HD3 LYS 31 12.770 -1.753 -27.704 263 HE2 LYS 31 HE2 LYS 31 14.512 -3.479 -27.427 264 HE3 LYS 31 HE3 LYS 31 13.560 -4.205 -26.133 265 HZ1 LYS 31 HZ1 LYS 31 13.313 -5.234 -28.396 266 HZ2 LYS 31 HZ2 LYS 31 12.502 -3.828 -28.874 267 HZ3 LYS 31 HZ3 LYS 31 11.867 -4.792 -27.638 268 H ASN 32 H ASN 32 13.982 -2.809 -23.323 269 HA ASN 32 HA ASN 32 13.805 -3.033 -20.581 270 HB2 ASN 32 HB2 ASN 32 16.190 -2.982 -22.422 271 HB3 ASN 32 HB3 ASN 32 16.366 -3.243 -20.689 272 HD21 ASN 32 HD21 ASN 32 17.216 -5.308 -21.125 273 HD22 ASN 32 HD22 ASN 32 16.186 -6.627 -21.553 274 H ASP 33 H ASP 33 15.947 -0.733 -22.274 275 HA ASP 33 HA ASP 33 15.586 1.113 -20.005 276 HB2 ASP 33 HB2 ASP 33 17.875 0.003 -20.206 277 HB3 ASP 33 HB3 ASP 33 18.091 0.949 -21.676 278 H GLU 34 H GLU 34 14.318 0.800 -22.761 279 HA GLU 34 HA GLU 34 14.558 3.625 -23.488 280 HB2 GLU 34 HB2 GLU 34 14.703 1.344 -25.466 281 HB3 GLU 34 HB3 GLU 34 14.580 3.045 -25.892 282 HG2 GLU 34 HG2 GLU 34 16.729 3.475 -24.825 283 HG3 GLU 34 HG3 GLU 34 16.853 1.774 -24.383 284 H GLU 35 H GLU 35 12.828 3.989 -25.388 285 HA GLU 35 HA GLU 35 10.375 2.513 -24.772 286 HB2 GLU 35 HB2 GLU 35 10.739 4.784 -23.460 287 HB3 GLU 35 HB3 GLU 35 10.190 5.485 -24.976 288 HG2 GLU 35 HG2 GLU 35 8.092 4.454 -24.824 289 HG3 GLU 35 HG3 GLU 35 8.639 3.337 -23.575 290 H ARG 36 H ARG 36 9.372 1.937 -26.577 291 HA ARG 36 HA ARG 36 9.785 3.567 -28.997 292 HE ARG 36 HE ARG 36 11.666 3.249 -32.952 293 HB2 ARG 36 HB2 ARG 36 10.880 1.178 -28.788 294 HB3 ARG 36 HB3 ARG 36 9.258 0.632 -29.191 295 HG2 ARG 36 HG2 ARG 36 10.570 0.759 -31.193 296 HG3 ARG 36 HG3 ARG 36 9.339 2.022 -31.232 297 HD2 ARG 36 HD2 ARG 36 10.885 3.714 -30.846 298 HD3 ARG 36 HD3 ARG 36 12.079 2.602 -30.178 299 HH11 ARG 36 HH11 ARG 36 12.931 0.913 -30.702 300 HH12 ARG 36 HH12 ARG 36 14.040 0.223 -31.840 301 HH21 ARG 36 HH21 ARG 36 13.121 2.348 -34.460 302 HH22 ARG 36 HH22 ARG 36 14.148 1.041 -33.978 303 H LEU 37 H LEU 37 8.051 3.513 -30.556 304 HA LEU 37 HA LEU 37 5.456 2.681 -29.455 305 HG LEU 37 HG LEU 37 3.725 5.912 -29.940 306 HB2 LEU 37 HB2 LEU 37 5.714 5.077 -29.093 307 HB3 LEU 37 HB3 LEU 37 6.067 5.308 -30.804 308 HD11 LEU 37 HD11 LEU 37 3.010 5.771 -32.068 309 HD12 LEU 37 HD12 LEU 37 3.385 4.052 -32.194 310 HD13 LEU 37 HD13 LEU 37 4.666 5.249 -32.380 311 HD21 LEU 37 HD21 LEU 37 2.963 3.099 -30.428 312 HD22 LEU 37 HD22 LEU 37 2.247 4.302 -29.356 313 HD23 LEU 37 HD23 LEU 37 3.717 3.454 -28.873 314 H ALA 38 H ALA 38 4.173 1.629 -30.849 315 HA ALA 38 HA ALA 38 4.652 1.895 -33.726 316 HB1 ALA 38 HB1 ALA 38 4.136 -0.866 -33.041 317 HB2 ALA 38 HB2 ALA 38 5.420 -0.170 -34.031 318 HB3 ALA 38 HB3 ALA 38 5.614 -0.274 -32.281 319 H GLU 39 H GLU 39 2.902 0.840 -35.016 320 HA GLU 39 HA GLU 39 0.333 1.050 -33.589 321 HB2 GLU 39 HB2 GLU 39 1.032 2.714 -35.501 322 HB3 GLU 39 HB3 GLU 39 0.549 1.391 -36.553 323 HG2 GLU 39 HG2 GLU 39 -1.673 1.400 -35.597 324 HG3 GLU 39 HG3 GLU 39 -1.202 2.662 -34.461 325 H ILE 40 H ILE 40 -1.423 -0.291 -34.406 326 HA ILE 40 HA ILE 40 -0.421 -2.918 -35.238 327 HB ILE 40 HB ILE 40 -3.088 -2.164 -34.038 328 HG12 ILE 40 HG12 ILE 40 -1.255 -1.937 -32.440 329 HG13 ILE 40 HG13 ILE 40 -2.247 -3.333 -32.035 330 HG21 ILE 40 HG21 ILE 40 -2.578 -4.914 -33.766 331 HG22 ILE 40 HG22 ILE 40 -3.814 -4.135 -34.751 332 HG23 ILE 40 HG23 ILE 40 -2.237 -4.505 -35.447 333 HD11 ILE 40 HD11 ILE 40 -0.066 -4.074 -31.747 334 HD12 ILE 40 HD12 ILE 40 -0.515 -4.693 -33.337 335 HD13 ILE 40 HD13 ILE 40 0.504 -3.260 -33.203 336 H LEU 41 H LEU 41 -0.810 -3.692 -37.205 337 HA LEU 41 HA LEU 41 -2.667 -2.229 -38.939 338 HG LEU 41 HG LEU 41 0.491 -2.395 -38.622 339 HB2 LEU 41 HB2 LEU 41 -0.690 -4.319 -39.801 340 HB3 LEU 41 HB3 LEU 41 -1.478 -3.090 -40.787 341 HD11 LEU 41 HD11 LEU 41 1.245 -3.957 -40.645 342 HD12 LEU 41 HD12 LEU 41 2.273 -2.683 -39.990 343 HD13 LEU 41 HD13 LEU 41 1.337 -2.394 -41.457 344 HD21 LEU 41 HD21 LEU 41 0.515 -0.604 -40.791 345 HD22 LEU 41 HD22 LEU 41 -0.094 -0.325 -39.160 346 HD23 LEU 41 HD23 LEU 41 -1.179 -0.920 -40.416 347 H SER 42 H SER 42 -1.689 -5.604 -38.318 348 HA SER 42 HA SER 42 -4.492 -6.406 -38.523 349 HG SER 42 HG SER 42 -5.114 -7.423 -40.743 350 HB2 SER 42 HB2 SER 42 -3.058 -6.665 -40.747 351 HB3 SER 42 HB3 SER 42 -2.507 -8.131 -39.935 352 H ILE 43 H ILE 43 -4.574 -8.919 -38.083 353 HA ILE 43 HA ILE 43 -2.618 -9.635 -36.017 354 HB ILE 43 HB ILE 43 -5.594 -9.940 -35.620 355 HG12 ILE 43 HG12 ILE 43 -3.685 -7.926 -34.413 356 HG13 ILE 43 HG13 ILE 43 -4.973 -7.571 -35.560 357 HG21 ILE 43 HG21 ILE 43 -3.459 -10.173 -33.530 358 HG22 ILE 43 HG22 ILE 43 -5.114 -10.780 -33.499 359 HG23 ILE 43 HG23 ILE 43 -3.912 -11.549 -34.536 360 HD11 ILE 43 HD11 ILE 43 -6.287 -7.182 -33.827 361 HD12 ILE 43 HD12 ILE 43 -6.220 -8.905 -33.459 362 HD13 ILE 43 HD13 ILE 43 -5.077 -7.795 -32.700 363 H ASN 44 H ASN 44 -1.945 -11.680 -36.163 364 HA ASN 44 HA ASN 44 -3.341 -13.456 -38.031 365 HB2 ASN 44 HB2 ASN 44 -0.569 -12.923 -37.451 366 HB3 ASN 44 HB3 ASN 44 -0.911 -14.636 -37.224 367 HD21 ASN 44 HD21 ASN 44 0.549 -12.989 -39.307 368 HD22 ASN 44 HD22 ASN 44 -0.080 -13.568 -40.809 369 H THR 45 H THR 45 -4.641 -14.943 -37.210 370 HA THR 45 HA THR 45 -4.192 -15.867 -34.456 371 HB THR 45 HB THR 45 -6.564 -16.771 -34.689 372 HG1 THR 45 HG1 THR 45 -7.696 -15.365 -36.373 373 HG21 THR 45 HG21 THR 45 -5.884 -13.848 -34.686 374 HG22 THR 45 HG22 THR 45 -6.337 -14.881 -33.332 375 HG23 THR 45 HG23 THR 45 -7.551 -14.395 -34.515 376 H ARG 46 H ARG 46 -2.586 -16.905 -36.552 377 HA ARG 46 HA ARG 46 -3.668 -19.523 -37.199 378 HE ARG 46 HE ARG 46 -2.230 -18.265 -40.700 379 HB2 ARG 46 HB2 ARG 46 -2.213 -18.030 -38.738 380 HB3 ARG 46 HB3 ARG 46 -0.862 -18.622 -37.781 381 HG2 ARG 46 HG2 ARG 46 -0.854 -20.118 -39.506 382 HG3 ARG 46 HG3 ARG 46 -1.883 -20.965 -38.348 383 HD2 ARG 46 HD2 ARG 46 -2.837 -21.026 -40.595 384 HD3 ARG 46 HD3 ARG 46 -3.869 -20.126 -39.485 385 HH11 ARG 46 HH11 ARG 46 -4.632 -20.584 -41.686 386 HH12 ARG 46 HH12 ARG 46 -5.145 -19.663 -43.061 387 HH21 ARG 46 HH21 ARG 46 -2.897 -17.043 -42.508 388 HH22 ARG 46 HH22 ARG 46 -4.157 -17.650 -43.528 389 H LYS 47 H LYS 47 -1.474 -18.053 -34.948 390 HA LYS 47 HA LYS 47 -0.790 -20.721 -33.898 391 HB2 LYS 47 HB2 LYS 47 0.799 -18.201 -34.129 392 HB3 LYS 47 HB3 LYS 47 1.124 -19.280 -32.779 393 HG2 LYS 47 HG2 LYS 47 1.033 -20.400 -35.537 394 HG3 LYS 47 HG3 LYS 47 2.456 -19.496 -35.014 395 HD2 LYS 47 HD2 LYS 47 3.073 -21.603 -34.372 396 HD3 LYS 47 HD3 LYS 47 2.248 -21.072 -32.904 397 HE2 LYS 47 HE2 LYS 47 0.329 -22.319 -33.397 398 HE3 LYS 47 HE3 LYS 47 0.782 -22.513 -35.090 399 HZ1 LYS 47 HZ1 LYS 47 2.293 -24.151 -34.592 400 HZ2 LYS 47 HZ2 LYS 47 1.089 -24.468 -33.446 401 HZ3 LYS 47 HZ3 LYS 47 2.497 -23.650 -32.989 402 H ALA 48 H ALA 48 -0.036 -20.394 -31.453 403 HA ALA 48 HA ALA 48 -1.902 -18.611 -30.066 404 HB1 ALA 48 HB1 ALA 48 -3.201 -20.546 -30.051 405 HB2 ALA 48 HB2 ALA 48 -1.804 -21.596 -29.809 406 HB3 ALA 48 HB3 ALA 48 -2.382 -20.580 -28.489 407 HA PRO 49 HA PRO 49 -2.025 -17.306 -28.653 408 HB2 PRO 49 HB2 PRO 49 -0.731 -14.958 -28.225 409 HB3 PRO 49 HB3 PRO 49 -1.272 -16.010 -26.912 410 HG2 PRO 49 HG2 PRO 49 1.453 -15.738 -28.121 411 HG3 PRO 49 HG3 PRO 49 0.995 -15.872 -26.413 412 HD2 PRO 49 HD2 PRO 49 1.936 -17.973 -27.838 413 HD3 PRO 49 HD3 PRO 49 0.753 -18.161 -26.527 414 HA PRO 50 HA PRO 50 -1.590 -15.852 -32.780 415 HB2 PRO 50 HB2 PRO 50 -2.991 -13.527 -32.751 416 HB3 PRO 50 HB3 PRO 50 -3.763 -15.115 -32.659 417 HG2 PRO 50 HG2 PRO 50 -3.125 -13.189 -30.458 418 HG3 PRO 50 HG3 PRO 50 -4.595 -14.147 -30.715 419 HD2 PRO 50 HD2 PRO 50 -2.673 -14.872 -28.951 420 HD3 PRO 50 HD3 PRO 50 -3.654 -16.058 -29.836 421 H LYS 51 H LYS 51 -1.163 -13.677 -34.050 422 HA LYS 51 HA LYS 51 1.090 -12.314 -32.725 423 HB2 LYS 51 HB2 LYS 51 0.787 -12.937 -35.669 424 HB3 LYS 51 HB3 LYS 51 2.152 -12.118 -34.921 425 HG2 LYS 51 HG2 LYS 51 3.036 -14.036 -34.107 426 HG3 LYS 51 HG3 LYS 51 1.460 -14.791 -33.864 427 HD2 LYS 51 HD2 LYS 51 2.284 -14.273 -36.661 428 HD3 LYS 51 HD3 LYS 51 3.151 -15.544 -35.795 429 HE2 LYS 51 HE2 LYS 51 1.237 -16.826 -35.510 430 HE3 LYS 51 HE3 LYS 51 0.160 -15.451 -35.751 431 HZ1 LYS 51 HZ1 LYS 51 1.413 -15.574 -38.112 432 HZ2 LYS 51 HZ2 LYS 51 -0.068 -16.324 -37.786 433 HZ3 LYS 51 HZ3 LYS 51 1.368 -17.214 -37.700 434 H PHE 52 H PHE 52 1.625 -10.185 -33.936 435 HA PHE 52 HA PHE 52 -0.767 -8.818 -34.897 436 HD1 PHE 52 HD1 PHE 52 0.871 -9.674 -31.252 437 HD2 PHE 52 HD2 PHE 52 -2.733 -7.863 -32.611 438 HE1 PHE 52 HE1 PHE 52 -0.394 -10.927 -29.554 439 HE2 PHE 52 HE2 PHE 52 -4.004 -9.112 -30.914 440 HZ PHE 52 HZ PHE 52 -2.835 -10.648 -29.384 441 HB2 PHE 52 HB2 PHE 52 0.880 -7.650 -32.652 442 HB3 PHE 52 HB3 PHE 52 -0.624 -7.024 -33.317 443 H TYR 53 H TYR 53 -0.335 -7.387 -36.469 444 HA TYR 53 HA TYR 53 2.386 -7.137 -37.385 445 HD1 TYR 53 HD1 TYR 53 2.980 -5.680 -39.956 446 HD2 TYR 53 HD2 TYR 53 0.136 -8.838 -39.757 447 HE1 TYR 53 HE1 TYR 53 4.147 -6.838 -41.785 448 HE2 TYR 53 HE2 TYR 53 1.296 -10.006 -41.585 449 HH TYR 53 HH TYR 53 3.621 -8.522 -43.529 450 HB2 TYR 53 HB2 TYR 53 -0.232 -6.878 -38.525 451 HB3 TYR 53 HB3 TYR 53 0.689 -5.418 -38.866 452 H VAL 54 H VAL 54 3.746 -5.607 -36.768 453 HA VAL 54 HA VAL 54 2.695 -3.184 -35.498 454 HB VAL 54 HB VAL 54 5.024 -2.822 -34.730 455 HG11 VAL 54 HG11 VAL 54 5.028 -4.566 -33.057 456 HG12 VAL 54 HG12 VAL 54 3.370 -4.042 -33.358 457 HG13 VAL 54 HG13 VAL 54 3.956 -5.558 -34.045 458 HG21 VAL 54 HG21 VAL 54 6.699 -4.536 -35.016 459 HG22 VAL 54 HG22 VAL 54 5.563 -5.543 -35.914 460 HG23 VAL 54 HG23 VAL 54 6.123 -4.018 -36.600 461 H HIS 55 H HIS 55 3.146 -1.144 -36.226 462 HA HIS 55 HA HIS 55 4.668 -0.923 -38.736 463 HD1 HIS 55 HD1 HIS 55 4.358 0.192 -41.074 464 HD2 HIS 55 HD2 HIS 55 1.876 2.871 -39.091 465 HE1 HIS 55 HE1 HIS 55 4.482 2.329 -42.395 466 HB2 HIS 55 HB2 HIS 55 2.331 -0.793 -39.327 467 HB3 HIS 55 HB3 HIS 55 2.030 0.390 -38.058 468 H TYR 56 H TYR 56 5.822 0.991 -39.050 469 HA TYR 56 HA TYR 56 6.273 2.531 -36.589 470 HD1 TYR 56 HD1 TYR 56 7.803 -0.411 -38.192 471 HD2 TYR 56 HD2 TYR 56 9.487 2.678 -35.799 472 HE1 TYR 56 HE1 TYR 56 8.893 -2.106 -36.782 473 HE2 TYR 56 HE2 TYR 56 10.583 0.992 -34.383 474 HH TYR 56 HH TYR 56 9.784 -2.293 -34.485 475 HB2 TYR 56 HB2 TYR 56 8.010 1.988 -38.993 476 HB3 TYR 56 HB3 TYR 56 8.405 3.232 -37.812 477 H VAL 57 H VAL 57 6.449 4.801 -36.661 478 HA VAL 57 HA VAL 57 4.877 6.015 -38.814 479 HB VAL 57 HB VAL 57 4.746 7.988 -37.284 480 HG11 VAL 57 HG11 VAL 57 3.012 7.101 -35.987 481 HG12 VAL 57 HG12 VAL 57 3.084 6.044 -37.399 482 HG13 VAL 57 HG13 VAL 57 3.788 5.523 -35.867 483 HG21 VAL 57 HG21 VAL 57 5.637 6.320 -35.004 484 HG22 VAL 57 HG22 VAL 57 6.890 7.009 -36.037 485 HG23 VAL 57 HG23 VAL 57 5.727 8.066 -35.236 486 H ASN 58 H ASN 58 7.701 5.283 -39.139 487 HA ASN 58 HA ASN 58 8.893 7.953 -39.475 488 HB2 ASN 58 HB2 ASN 58 10.236 5.246 -39.301 489 HB3 ASN 58 HB3 ASN 58 11.073 6.772 -39.575 490 HD21 ASN 58 HD21 ASN 58 11.301 4.822 -37.397 491 HD22 ASN 58 HD22 ASN 58 11.004 5.707 -35.943 492 H TYR 59 H TYR 59 6.964 6.573 -41.264 493 HA TYR 59 HA TYR 59 6.630 6.144 -43.477 494 HD1 TYR 59 HD1 TYR 59 5.424 8.395 -44.570 495 HD2 TYR 59 HD2 TYR 59 9.108 7.335 -46.415 496 HE1 TYR 59 HE1 TYR 59 4.369 8.602 -46.782 497 HE2 TYR 59 HE2 TYR 59 8.064 7.540 -48.632 498 HH TYR 59 HH TYR 59 4.955 8.941 -49.076 499 HB2 TYR 59 HB2 TYR 59 7.649 8.551 -43.370 500 HB3 TYR 59 HB3 TYR 59 9.056 7.791 -44.107 501 H ASN 60 H ASN 60 8.214 4.228 -42.108 502 HA ASN 60 HA ASN 60 10.075 3.370 -44.223 503 HB2 ASN 60 HB2 ASN 60 10.101 3.024 -41.250 504 HB3 ASN 60 HB3 ASN 60 10.877 1.808 -42.261 505 HD21 ASN 60 HD21 ASN 60 12.652 2.759 -40.807 506 HD22 ASN 60 HD22 ASN 60 13.581 4.036 -41.509 507 H LYS 61 H LYS 61 9.314 1.813 -45.477 508 HA LYS 61 HA LYS 61 7.113 0.143 -44.569 509 HB2 LYS 61 HB2 LYS 61 7.391 1.280 -46.906 510 HB3 LYS 61 HB3 LYS 61 8.416 -0.105 -47.258 511 HG2 LYS 61 HG2 LYS 61 6.365 -1.467 -46.373 512 HG3 LYS 61 HG3 LYS 61 5.482 0.008 -46.771 513 HD2 LYS 61 HD2 LYS 61 6.027 -0.143 -49.044 514 HD3 LYS 61 HD3 LYS 61 7.344 -1.281 -48.743 515 HE2 LYS 61 HE2 LYS 61 5.590 -2.557 -49.668 516 HE3 LYS 61 HE3 LYS 61 5.573 -2.904 -47.940 517 HZ1 LYS 61 HZ1 LYS 61 3.873 -0.740 -48.950 518 HZ2 LYS 61 HZ2 LYS 61 3.629 -1.778 -47.637 519 HZ3 LYS 61 HZ3 LYS 61 3.382 -2.337 -49.214 520 H ARG 62 H ARG 62 10.519 -0.095 -45.296 521 HA ARG 62 HA ARG 62 10.669 -2.923 -45.434 522 HE ARG 62 HE ARG 62 15.071 0.233 -43.013 523 HB2 ARG 62 HB2 ARG 62 13.036 -2.653 -45.341 524 HB3 ARG 62 HB3 ARG 62 12.404 -1.305 -46.276 525 HG2 ARG 62 HG2 ARG 62 12.527 0.087 -44.208 526 HG3 ARG 62 HG3 ARG 62 13.352 -1.261 -43.423 527 HD2 ARG 62 HD2 ARG 62 14.988 -1.154 -45.392 528 HD3 ARG 62 HD3 ARG 62 14.279 0.425 -45.727 529 HH11 ARG 62 HH11 ARG 62 16.337 0.636 -46.231 530 HH12 ARG 62 HH12 ARG 62 17.745 1.501 -45.709 531 HH21 ARG 62 HH21 ARG 62 16.921 1.371 -42.314 532 HH22 ARG 62 HH22 ARG 62 18.076 1.918 -43.481 533 H LEU 63 H LEU 63 10.565 -0.655 -42.811 534 HA LEU 63 HA LEU 63 11.536 -2.520 -40.836 535 HG LEU 63 HG LEU 63 11.125 -1.344 -38.298 536 HB2 LEU 63 HB2 LEU 63 11.562 0.127 -40.894 537 HB3 LEU 63 HB3 LEU 63 10.010 -0.082 -40.085 538 HD11 LEU 63 HD11 LEU 63 13.749 -0.907 -38.386 539 HD12 LEU 63 HD12 LEU 63 13.440 -1.038 -40.117 540 HD13 LEU 63 HD13 LEU 63 13.007 -2.366 -39.041 541 HD21 LEU 63 HD21 LEU 63 12.732 1.142 -38.511 542 HD22 LEU 63 HD22 LEU 63 11.777 0.519 -37.165 543 HD23 LEU 63 HD23 LEU 63 10.974 1.293 -38.531 544 H ASP 64 H ASP 64 8.447 -1.414 -42.051 545 HA ASP 64 HA ASP 64 6.732 -2.247 -40.048 546 HB2 ASP 64 HB2 ASP 64 5.933 -0.999 -41.969 547 HB3 ASP 64 HB3 ASP 64 6.328 -2.338 -43.044 548 H GLU 65 H GLU 65 6.926 -4.151 -39.035 549 HA GLU 65 HA GLU 65 6.751 -6.582 -40.675 550 HB2 GLU 65 HB2 GLU 65 8.337 -7.727 -39.215 551 HB3 GLU 65 HB3 GLU 65 9.085 -6.326 -39.968 552 HG2 GLU 65 HG2 GLU 65 8.522 -5.075 -37.826 553 HG3 GLU 65 HG3 GLU 65 8.190 -6.659 -37.126 554 H TRP 66 H TRP 66 6.480 -8.516 -38.925 555 HA TRP 66 HA TRP 66 4.294 -7.668 -37.138 556 HD1 TRP 66 HD1 TRP 66 5.270 -9.316 -40.843 557 HE1 TRP 66 HE1 TRP 66 6.291 -11.548 -41.617 558 HE3 TRP 66 HE3 TRP 66 3.935 -12.240 -36.868 559 HZ2 TRP 66 HZ2 TRP 66 6.501 -14.198 -40.668 560 HZ3 TRP 66 HZ3 TRP 66 4.584 -14.613 -36.879 561 HH2 TRP 66 HH2 TRP 66 5.840 -15.570 -38.741 562 HB2 TRP 66 HB2 TRP 66 3.324 -9.963 -37.564 563 HB3 TRP 66 HB3 TRP 66 3.294 -8.867 -38.942 564 H ILE 67 H ILE 67 4.302 -8.413 -35.080 565 HA ILE 67 HA ILE 67 6.291 -10.450 -34.350 566 HB ILE 67 HB ILE 67 6.844 -9.177 -32.305 567 HG12 ILE 67 HG12 ILE 67 5.514 -6.799 -33.590 568 HG13 ILE 67 HG13 ILE 67 4.662 -7.825 -32.441 569 HG21 ILE 67 HG21 ILE 67 8.136 -9.041 -34.494 570 HG22 ILE 67 HG22 ILE 67 7.382 -7.462 -34.711 571 HG23 ILE 67 HG23 ILE 67 8.421 -7.760 -33.317 572 HD11 ILE 67 HD11 ILE 67 7.288 -6.539 -31.783 573 HD12 ILE 67 HD12 ILE 67 5.746 -5.718 -31.543 574 HD13 ILE 67 HD13 ILE 67 6.088 -7.221 -30.686 575 H THR 68 H THR 68 5.922 -10.814 -31.780 576 HA THR 68 HA THR 68 3.096 -11.578 -31.574 577 HB THR 68 HB THR 68 3.822 -13.152 -29.823 578 HG1 THR 68 HG1 THR 68 5.962 -13.323 -29.276 579 HG21 THR 68 HG21 THR 68 3.781 -14.266 -31.831 580 HG22 THR 68 HG22 THR 68 5.479 -14.467 -31.401 581 HG23 THR 68 HG23 THR 68 5.004 -13.225 -32.559 582 H THR 69 H THR 69 2.611 -11.864 -29.001 583 HA THR 69 HA THR 69 2.491 -9.152 -28.038 584 HB THR 69 HB THR 69 0.571 -10.715 -27.809 585 HG1 THR 69 HG1 THR 69 0.013 -9.875 -25.856 586 HG21 THR 69 HG21 THR 69 1.692 -12.012 -25.426 587 HG22 THR 69 HG22 THR 69 2.407 -12.535 -26.950 588 HG23 THR 69 HG23 THR 69 0.667 -12.673 -26.699 589 H ASP 70 H ASP 70 4.617 -11.761 -27.654 590 HA ASP 70 HA ASP 70 5.451 -11.565 -25.013 591 HB2 ASP 70 HB2 ASP 70 6.922 -12.293 -27.539 592 HB3 ASP 70 HB3 ASP 70 7.717 -12.318 -25.967 593 H ARG 71 H ARG 71 5.983 -9.418 -27.679 594 HA ARG 71 HA ARG 71 7.934 -7.879 -26.112 595 HE ARG 71 HE ARG 71 8.416 -10.111 -30.653 596 HB2 ARG 71 HB2 ARG 71 7.212 -7.666 -29.041 597 HB3 ARG 71 HB3 ARG 71 8.447 -6.720 -28.220 598 HG2 ARG 71 HG2 ARG 71 9.736 -8.725 -27.787 599 HG3 ARG 71 HG3 ARG 71 8.476 -9.716 -28.525 600 HD2 ARG 71 HD2 ARG 71 9.298 -7.589 -30.294 601 HD3 ARG 71 HD3 ARG 71 10.680 -8.560 -29.789 602 HH11 ARG 71 HH11 ARG 71 11.306 -8.445 -31.652 603 HH12 ARG 71 HH12 ARG 71 11.500 -9.378 -33.099 604 HH21 ARG 71 HH21 ARG 71 8.661 -11.345 -32.556 605 HH22 ARG 71 HH22 ARG 71 9.995 -11.026 -33.613 606 H ILE 72 H ILE 72 4.728 -7.823 -27.419 607 HA ILE 72 HA ILE 72 4.420 -4.983 -26.758 608 HB ILE 72 HB ILE 72 2.531 -6.843 -28.205 609 HG12 ILE 72 HG12 ILE 72 3.961 -4.491 -29.407 610 HG13 ILE 72 HG13 ILE 72 4.758 -6.057 -29.300 611 HG21 ILE 72 HG21 ILE 72 0.946 -5.334 -27.850 612 HG22 ILE 72 HG22 ILE 72 2.073 -4.341 -26.927 613 HG23 ILE 72 HG23 ILE 72 1.928 -4.122 -28.671 614 HD11 ILE 72 HD11 ILE 72 3.442 -5.359 -31.443 615 HD12 ILE 72 HD12 ILE 72 3.374 -7.016 -30.845 616 HD13 ILE 72 HD13 ILE 72 2.047 -5.903 -30.511 617 H ASN 73 H ASN 73 3.710 -4.492 -24.799 618 HA ASN 73 HA ASN 73 2.613 -6.401 -23.013 619 HB2 ASN 73 HB2 ASN 73 3.787 -4.641 -21.989 620 HB3 ASN 73 HB3 ASN 73 2.944 -3.412 -22.927 621 HD21 ASN 73 HD21 ASN 73 1.328 -2.391 -21.983 622 HD22 ASN 73 HD22 ASN 73 0.501 -2.906 -20.556 623 H LEU 74 H LEU 74 0.524 -6.639 -22.230 624 HA LEU 74 HA LEU 74 -1.568 -5.618 -24.015 625 HG LEU 74 HG LEU 74 -3.462 -8.763 -23.668 626 HB2 LEU 74 HB2 LEU 74 -1.139 -8.134 -23.420 627 HB3 LEU 74 HB3 LEU 74 -2.043 -7.731 -21.962 628 HD11 LEU 74 HD11 LEU 74 -5.236 -7.468 -23.163 629 HD12 LEU 74 HD12 LEU 74 -4.446 -5.985 -23.696 630 HD13 LEU 74 HD13 LEU 74 -4.073 -6.661 -22.111 631 HD21 LEU 74 HD21 LEU 74 -3.366 -6.374 -25.405 632 HD22 LEU 74 HD22 LEU 74 -3.630 -8.069 -25.815 633 HD23 LEU 74 HD23 LEU 74 -1.996 -7.481 -25.506 634 H ASP 75 H ASP 75 -1.265 -6.422 -20.550 635 HA ASP 75 HA ASP 75 -2.910 -4.047 -19.964 636 HB2 ASP 75 HB2 ASP 75 -4.122 -6.095 -19.437 637 HB3 ASP 75 HB3 ASP 75 -2.773 -6.669 -18.461 638 H LYS 76 H LYS 76 -0.927 -6.220 -17.967 639 HA LYS 76 HA LYS 76 0.692 -3.892 -17.174 640 HB2 LYS 76 HB2 LYS 76 -1.130 -5.062 -15.524 641 HB3 LYS 76 HB3 LYS 76 0.312 -5.991 -15.136 642 HG2 LYS 76 HG2 LYS 76 0.597 -4.327 -13.641 643 HG3 LYS 76 HG3 LYS 76 1.357 -3.538 -15.025 644 HD2 LYS 76 HD2 LYS 76 -0.110 -1.929 -14.147 645 HD3 LYS 76 HD3 LYS 76 -0.960 -2.597 -15.542 646 HE2 LYS 76 HE2 LYS 76 -2.117 -4.160 -13.939 647 HE3 LYS 76 HE3 LYS 76 -1.417 -3.211 -12.629 648 HZ1 LYS 76 HZ1 LYS 76 -3.571 -2.534 -14.465 649 HZ2 LYS 76 HZ2 LYS 76 -2.512 -1.278 -14.059 650 HZ3 LYS 76 HZ3 LYS 76 -3.353 -2.102 -12.844 651 H GLU 77 H GLU 77 2.579 -4.955 -15.650 652 HA GLU 77 HA GLU 77 4.274 -6.278 -17.475 653 HB2 GLU 77 HB2 GLU 77 5.904 -6.281 -15.750 654 HB3 GLU 77 HB3 GLU 77 4.976 -4.802 -15.547 655 HG2 GLU 77 HG2 GLU 77 3.600 -6.091 -13.839 656 HG3 GLU 77 HG3 GLU 77 4.878 -7.304 -13.900 657 H VAL 78 H VAL 78 5.065 -8.387 -17.512 658 HA VAL 78 HA VAL 78 3.385 -10.356 -16.101 659 HB VAL 78 HB VAL 78 3.757 -11.901 -17.922 660 HG11 VAL 78 HG11 VAL 78 1.906 -10.266 -18.092 661 HG12 VAL 78 HG12 VAL 78 2.960 -9.218 -19.044 662 HG13 VAL 78 HG13 VAL 78 2.501 -10.805 -19.662 663 HG21 VAL 78 HG21 VAL 78 5.517 -9.730 -19.045 664 HG22 VAL 78 HG22 VAL 78 5.976 -11.374 -18.601 665 HG23 VAL 78 HG23 VAL 78 4.930 -11.096 -19.994 666 H LEU 79 H LEU 79 4.454 -12.458 -15.671 667 HA LEU 79 HA LEU 79 7.261 -12.033 -14.891 668 HG LEU 79 HG LEU 79 5.489 -11.349 -12.702 669 HB2 LEU 79 HB2 LEU 79 5.012 -13.557 -13.650 670 HB3 LEU 79 HB3 LEU 79 6.676 -14.049 -13.341 671 HD11 LEU 79 HD11 LEU 79 6.461 -12.796 -10.445 672 HD12 LEU 79 HD12 LEU 79 5.313 -13.803 -11.326 673 HD13 LEU 79 HD13 LEU 79 4.832 -12.202 -10.767 674 HD21 LEU 79 HD21 LEU 79 7.678 -10.794 -12.945 675 HD22 LEU 79 HD22 LEU 79 8.244 -12.439 -12.656 676 HD23 LEU 79 HD23 LEU 79 7.750 -11.427 -11.299 677 H TYR 80 H TYR 80 8.192 -12.741 -16.815 678 HA TYR 80 HA TYR 80 7.918 -15.631 -17.317 679 HD1 TYR 80 HD1 TYR 80 6.555 -16.670 -18.516 680 HD2 TYR 80 HD2 TYR 80 6.109 -12.827 -20.288 681 HE1 TYR 80 HE1 TYR 80 4.195 -17.171 -18.996 682 HE2 TYR 80 HE2 TYR 80 3.748 -13.317 -20.771 683 HH TYR 80 HH TYR 80 2.405 -15.731 -21.119 684 HB2 TYR 80 HB2 TYR 80 8.120 -13.365 -19.288 685 HB3 TYR 80 HB3 TYR 80 8.557 -15.011 -19.731 686 HA PRO 81 HA PRO 81 12.296 -14.829 -16.195 687 HB2 PRO 81 HB2 PRO 81 12.638 -17.232 -14.979 688 HB3 PRO 81 HB3 PRO 81 11.945 -15.829 -14.157 689 HG2 PRO 81 HG2 PRO 81 10.558 -18.173 -15.398 690 HG3 PRO 81 HG3 PRO 81 10.226 -17.365 -13.854 691 HD2 PRO 81 HD2 PRO 81 8.762 -16.902 -16.085 692 HD3 PRO 81 HD3 PRO 81 9.055 -15.652 -14.858 693 H LYS 82 H LYS 82 13.203 -14.939 -18.219 694 HA LYS 82 HA LYS 82 14.066 -17.582 -19.084 695 HB2 LYS 82 HB2 LYS 82 11.880 -16.790 -20.284 696 HB3 LYS 82 HB3 LYS 82 12.969 -15.736 -21.176 697 HG2 LYS 82 HG2 LYS 82 13.957 -17.462 -22.290 698 HG3 LYS 82 HG3 LYS 82 13.654 -18.619 -20.993 699 HD2 LYS 82 HD2 LYS 82 11.422 -18.926 -21.634 700 HD3 LYS 82 HD3 LYS 82 11.407 -17.454 -22.608 701 HE2 LYS 82 HE2 LYS 82 11.482 -19.306 -24.106 702 HE3 LYS 82 HE3 LYS 82 13.072 -18.545 -24.124 703 HZ1 LYS 82 HZ1 LYS 82 13.971 -20.264 -22.822 704 HZ2 LYS 82 HZ2 LYS 82 13.033 -21.044 -23.995 705 HZ3 LYS 82 HZ3 LYS 82 12.449 -20.882 -22.416 706 H LEU 83 H LEU 83 15.726 -17.418 -20.847 707 HA LEU 83 HA LEU 83 17.402 -15.053 -20.365 708 HG LEU 83 HG LEU 83 20.079 -17.391 -19.584 709 HB2 LEU 83 HB2 LEU 83 17.925 -17.893 -20.603 710 HB3 LEU 83 HB3 LEU 83 18.942 -16.947 -21.687 711 HD11 LEU 83 HD11 LEU 83 19.356 -14.491 -19.492 712 HD12 LEU 83 HD12 LEU 83 20.227 -15.153 -20.874 713 HD13 LEU 83 HD13 LEU 83 20.925 -15.262 -19.258 714 HD21 LEU 83 HD21 LEU 83 17.755 -17.350 -18.348 715 HD22 LEU 83 HD22 LEU 83 18.179 -15.658 -18.087 716 HD23 LEU 83 HD23 LEU 83 19.246 -16.935 -17.503 717 H LYS 84 H LYS 84 18.674 -14.224 -22.161 718 HA LYS 84 HA LYS 84 18.034 -14.934 -24.852 719 HB2 LYS 84 HB2 LYS 84 16.017 -13.580 -23.988 720 HB3 LYS 84 HB3 LYS 84 17.096 -12.192 -24.039 721 HG2 LYS 84 HG2 LYS 84 16.038 -12.067 -26.079 722 HG3 LYS 84 HG3 LYS 84 17.523 -12.929 -26.487 723 HD2 LYS 84 HD2 LYS 84 16.150 -15.065 -26.083 724 HD3 LYS 84 HD3 LYS 84 14.739 -14.010 -26.189 725 HE2 LYS 84 HE2 LYS 84 15.153 -14.962 -28.354 726 HE3 LYS 84 HE3 LYS 84 15.546 -13.244 -28.408 727 HZ1 LYS 84 HZ1 LYS 84 17.157 -15.178 -29.300 728 HZ2 LYS 84 HZ2 LYS 84 17.752 -14.992 -27.727 729 HZ3 LYS 84 HZ3 LYS 84 17.704 -13.666 -28.776 730 H ALA 85 H ALA 85 19.884 -14.636 -25.887 731 HA ALA 85 HA ALA 85 21.910 -12.873 -24.845 732 HB1 ALA 85 HB1 ALA 85 23.229 -14.375 -25.801 733 HB2 ALA 85 HB2 ALA 85 21.834 -15.155 -26.547 734 HB3 ALA 85 HB3 ALA 85 22.667 -13.847 -27.387 735 H THR 86 H THR 86 22.821 -11.089 -25.891 736 HA THR 86 HA THR 86 20.969 -9.491 -27.374 737 HB THR 86 HB THR 86 22.963 -7.891 -27.518 738 HG1 THR 86 HG1 THR 86 24.102 -9.494 -25.496 739 HG21 THR 86 HG21 THR 86 22.753 -7.238 -25.170 740 HG22 THR 86 HG22 THR 86 22.040 -8.805 -24.790 741 HG23 THR 86 HG23 THR 86 21.184 -7.678 -25.843 742 H ASP 87 H ASP 87 20.730 -10.977 -29.207 743 HA ASP 87 HA ASP 87 22.988 -11.084 -31.051 744 HB2 ASP 87 HB2 ASP 87 21.247 -12.998 -30.485 745 HB3 ASP 87 HB3 ASP 87 20.304 -12.197 -31.739 746 H GLU 88 H GLU 88 22.571 -10.601 -33.373 747 HA GLU 88 HA GLU 88 20.448 -8.780 -34.026 748 HB2 GLU 88 HB2 GLU 88 21.961 -6.889 -34.613 749 HB3 GLU 88 HB3 GLU 88 21.854 -7.197 -32.885 750 HG2 GLU 88 HG2 GLU 88 24.111 -6.837 -33.220 751 HG3 GLU 88 HG3 GLU 88 23.984 -8.595 -33.214 752 H ASP 89 H ASP 89 20.400 -8.227 -36.273 753 HA ASP 89 HA ASP 89 22.275 -9.726 -37.966 754 HB2 ASP 89 HB2 ASP 89 20.329 -10.367 -39.422 755 HB3 ASP 89 HB3 ASP 89 20.348 -11.147 -37.843 Start of MODEL 13 1 HA MET -4 HA MET -4 -17.008 -18.961 7.394 2 H1 MET -4 H1 MET -4 -19.004 -20.905 8.353 3 HB2 MET -4 HB2 MET -4 -17.478 -19.982 10.199 4 HB3 MET -4 HB3 MET -4 -16.131 -18.955 9.725 5 HG2 MET -4 HG2 MET -4 -17.542 -17.366 10.503 6 HG3 MET -4 HG3 MET -4 -18.083 -17.422 8.827 7 HE1 MET -4 HE1 MET -4 -20.424 -16.359 9.303 8 HE2 MET -4 HE2 MET -4 -21.469 -16.850 10.637 9 HE3 MET -4 HE3 MET -4 -19.901 -16.112 10.970 10 H GLY -3 H GLY -3 -17.379 -21.690 6.450 11 HA2 GLY -3 HA2 GLY -3 -14.703 -22.707 7.140 12 HA3 GLY -3 HA3 GLY -3 -16.082 -23.796 7.171 13 H SER -2 H SER -2 -15.391 -21.219 4.845 14 HA SER -2 HA SER -2 -14.720 -23.185 2.802 15 HG SER -2 HG SER -2 -17.534 -21.205 3.669 16 HB2 SER -2 HB2 SER -2 -16.410 -22.131 1.233 17 HB3 SER -2 HB3 SER -2 -17.093 -23.121 2.524 18 H SER -1 H SER -1 -13.064 -22.458 1.654 19 HA SER -1 HA SER -1 -12.487 -19.580 1.686 20 HG SER -1 HG SER -1 -10.855 -22.561 2.609 21 HB2 SER -1 HB2 SER -1 -10.537 -21.635 0.705 22 HB3 SER -1 HB3 SER -1 -10.227 -20.086 1.488 23 H HIS 0 H HIS 0 -11.784 -18.525 -0.243 24 HA HIS 0 HA HIS 0 -12.953 -19.715 -2.665 25 HD1 HIS 0 HD1 HIS 0 -14.370 -15.657 -0.943 26 HD2 HIS 0 HD2 HIS 0 -15.406 -19.358 -2.520 27 HE1 HIS 0 HE1 HIS 0 -16.765 -16.027 -0.273 28 HB2 HIS 0 HB2 HIS 0 -12.423 -16.822 -1.958 29 HB3 HIS 0 HB3 HIS 0 -13.043 -17.370 -3.513 30 H HIS 1 H HIS 1 -11.248 -20.877 -3.476 31 HA HIS 1 HA HIS 1 -9.184 -19.354 -4.786 32 HD1 HIS 1 HD1 HIS 1 -8.556 -19.210 -0.786 33 HD2 HIS 1 HD2 HIS 1 -6.350 -18.390 -4.209 34 HE1 HIS 1 HE1 HIS 1 -7.345 -17.060 -0.305 35 HB2 HIS 1 HB2 HIS 1 -8.595 -21.099 -2.431 36 HB3 HIS 1 HB3 HIS 1 -7.434 -21.038 -3.754 37 H HIS 2 H HIS 2 -8.219 -20.461 -6.492 38 HA HIS 2 HA HIS 2 -8.433 -23.239 -6.925 39 HD1 HIS 2 HD1 HIS 2 -10.101 -21.395 -10.584 40 HD2 HIS 2 HD2 HIS 2 -11.653 -20.138 -6.941 41 HE1 HIS 2 HE1 HIS 2 -11.204 -19.184 -11.051 42 HB2 HIS 2 HB2 HIS 2 -10.078 -23.207 -8.787 43 HB3 HIS 2 HB3 HIS 2 -10.801 -22.822 -7.228 44 H HIS 3 H HIS 3 -6.873 -23.770 -8.310 45 HA HIS 3 HA HIS 3 -6.167 -21.924 -10.469 46 HD1 HIS 3 HD1 HIS 3 -4.612 -20.829 -6.795 47 HD2 HIS 3 HD2 HIS 3 -4.138 -19.812 -10.795 48 HE1 HIS 3 HE1 HIS 3 -4.402 -18.323 -6.831 49 HB2 HIS 3 HB2 HIS 3 -4.373 -22.830 -8.251 50 HB3 HIS 3 HB3 HIS 3 -3.691 -22.557 -9.851 51 H HIS 4 H HIS 4 -5.003 -22.904 -12.206 52 HA HIS 4 HA HIS 4 -4.302 -25.635 -12.276 53 HD1 HIS 4 HD1 HIS 4 -6.110 -27.984 -11.548 54 HD2 HIS 4 HD2 HIS 4 -6.014 -27.200 -15.627 55 HE1 HIS 4 HE1 HIS 4 -5.836 -30.224 -12.657 56 HB2 HIS 4 HB2 HIS 4 -6.921 -25.593 -12.224 57 HB3 HIS 4 HB3 HIS 4 -6.760 -25.145 -13.919 58 H HIS 5 H HIS 5 -2.958 -25.969 -13.946 59 HA HIS 5 HA HIS 5 -3.094 -24.122 -16.233 60 HD1 HIS 5 HD1 HIS 5 -0.891 -25.001 -12.660 61 HD2 HIS 5 HD2 HIS 5 1.008 -26.208 -16.152 62 HE1 HIS 5 HE1 HIS 5 0.796 -26.724 -11.947 63 HB2 HIS 5 HB2 HIS 5 -0.653 -24.002 -16.279 64 HB3 HIS 5 HB3 HIS 5 -1.270 -23.429 -14.732 65 H SER 6 H SER 6 -1.449 -25.005 -17.992 66 HA SER 6 HA SER 6 -1.567 -27.921 -18.151 67 HG SER 6 HG SER 6 -4.429 -27.007 -18.819 68 HB2 SER 6 HB2 SER 6 -2.956 -26.015 -20.009 69 HB3 SER 6 HB3 SER 6 -2.370 -27.566 -20.610 70 H SER 7 H SER 7 -0.520 -28.580 -20.383 71 HA SER 7 HA SER 7 2.161 -27.701 -20.289 72 HG SER 7 HG SER 7 -0.105 -28.757 -22.728 73 HB2 SER 7 HB2 SER 7 2.324 -29.027 -22.487 74 HB3 SER 7 HB3 SER 7 1.829 -29.912 -21.044 75 H GLY 8 H GLY 8 3.178 -27.258 -22.674 76 HA2 GLY 8 HA2 GLY 8 2.984 -25.932 -24.660 77 HA3 GLY 8 HA3 GLY 8 1.643 -25.075 -23.914 78 H LEU 9 H LEU 9 3.442 -23.513 -25.045 79 HA LEU 9 HA LEU 9 4.947 -22.412 -22.769 80 HG LEU 9 HG LEU 9 8.194 -22.694 -24.354 81 HB2 LEU 9 HB2 LEU 9 5.975 -23.386 -25.243 82 HB3 LEU 9 HB3 LEU 9 6.222 -21.642 -25.176 83 HD11 LEU 9 HD11 LEU 9 6.864 -21.938 -21.798 84 HD12 LEU 9 HD12 LEU 9 7.037 -20.730 -23.070 85 HD13 LEU 9 HD13 LEU 9 8.467 -21.519 -22.404 86 HD21 LEU 9 HD21 LEU 9 6.498 -24.711 -23.511 87 HD22 LEU 9 HD22 LEU 9 7.104 -24.009 -22.011 88 HD23 LEU 9 HD23 LEU 9 8.236 -24.612 -23.223 89 H VAL 10 H VAL 10 3.453 -20.839 -22.292 90 HA VAL 10 HA VAL 10 3.293 -18.645 -24.221 91 HB VAL 10 HB VAL 10 0.853 -18.328 -23.503 92 HG11 VAL 10 HG11 VAL 10 0.672 -20.708 -25.103 93 HG12 VAL 10 HG12 VAL 10 0.427 -19.024 -25.570 94 HG13 VAL 10 HG13 VAL 10 2.044 -19.727 -25.616 95 HG21 VAL 10 HG21 VAL 10 1.012 -20.037 -21.671 96 HG22 VAL 10 HG22 VAL 10 -0.364 -20.235 -22.756 97 HG23 VAL 10 HG23 VAL 10 1.048 -21.278 -22.924 98 HA PRO 11 HA PRO 11 4.002 -16.062 -20.743 99 HB2 PRO 11 HB2 PRO 11 2.633 -13.825 -21.442 100 HB3 PRO 11 HB3 PRO 11 4.145 -14.307 -22.219 101 HG2 PRO 11 HG2 PRO 11 1.328 -14.693 -23.155 102 HG3 PRO 11 HG3 PRO 11 2.754 -14.187 -24.079 103 HD2 PRO 11 HD2 PRO 11 1.803 -16.722 -24.139 104 HD3 PRO 11 HD3 PRO 11 3.531 -16.346 -24.303 105 H ARG 12 H ARG 12 2.966 -14.898 -18.969 106 HA ARG 12 HA ARG 12 0.166 -15.706 -18.541 107 HE ARG 12 HE ARG 12 1.850 -16.954 -14.207 108 HB2 ARG 12 HB2 ARG 12 2.215 -16.839 -17.210 109 HB3 ARG 12 HB3 ARG 12 1.927 -15.449 -16.172 110 HG2 ARG 12 HG2 ARG 12 -0.106 -16.204 -15.483 111 HG3 ARG 12 HG3 ARG 12 -0.416 -17.073 -16.988 112 HD2 ARG 12 HD2 ARG 12 -0.077 -18.684 -15.251 113 HD3 ARG 12 HD3 ARG 12 1.327 -18.720 -16.318 114 HH11 ARG 12 HH11 ARG 12 1.389 -20.357 -14.781 115 HH12 ARG 12 HH12 ARG 12 2.394 -20.849 -13.459 116 HH21 ARG 12 HH21 ARG 12 3.176 -17.590 -12.463 117 HH22 ARG 12 HH22 ARG 12 3.409 -19.275 -12.140 118 H GLY 13 H GLY 13 -0.638 -14.459 -16.431 119 HA2 GLY 13 HA2 GLY 13 0.154 -12.070 -15.521 120 HA3 GLY 13 HA3 GLY 13 -0.407 -11.648 -17.133 121 H SER 14 H SER 14 -2.647 -12.968 -17.542 122 HA SER 14 HA SER 14 -4.877 -13.026 -17.098 123 HG SER 14 HG SER 14 -5.907 -14.759 -14.415 124 HB2 SER 14 HB2 SER 14 -3.840 -14.306 -15.025 125 HB3 SER 14 HB3 SER 14 -4.416 -12.889 -14.147 126 H HIS 15 H HIS 15 -3.455 -10.494 -17.342 127 HA HIS 15 HA HIS 15 -5.468 -8.784 -16.067 128 HD1 HIS 15 HD1 HIS 15 -1.714 -10.027 -16.752 129 HD2 HIS 15 HD2 HIS 15 -1.581 -5.904 -16.257 130 HE1 HIS 15 HE1 HIS 15 0.495 -9.305 -17.713 131 HB2 HIS 15 HB2 HIS 15 -3.823 -7.139 -15.425 132 HB3 HIS 15 HB3 HIS 15 -3.361 -8.692 -14.734 133 H MET 16 H MET 16 -4.493 -9.897 -18.844 134 HA MET 16 HA MET 16 -5.060 -7.396 -20.255 135 HB2 MET 16 HB2 MET 16 -2.780 -9.258 -20.944 136 HB3 MET 16 HB3 MET 16 -3.308 -7.901 -21.929 137 HG2 MET 16 HG2 MET 16 -2.742 -6.367 -20.109 138 HG3 MET 16 HG3 MET 16 -2.195 -7.733 -19.139 139 HE1 MET 16 HE1 MET 16 0.824 -9.020 -20.420 140 HE2 MET 16 HE2 MET 16 -0.863 -9.524 -20.318 141 HE3 MET 16 HE3 MET 16 -0.103 -9.305 -21.894 142 H SER 17 H SER 17 -5.805 -7.722 -22.461 143 HA SER 17 HA SER 17 -6.701 -10.440 -23.083 144 HG SER 17 HG SER 17 -9.798 -9.950 -21.921 145 HB2 SER 17 HB2 SER 17 -8.449 -8.056 -22.606 146 HB3 SER 17 HB3 SER 17 -8.936 -9.251 -23.807 147 H VAL 18 H VAL 18 -6.433 -10.938 -25.164 148 HA VAL 18 HA VAL 18 -5.461 -8.893 -26.977 149 HB VAL 18 HB VAL 18 -5.863 -11.820 -27.584 150 HG11 VAL 18 HG11 VAL 18 -5.510 -10.286 -29.495 151 HG12 VAL 18 HG12 VAL 18 -3.974 -9.795 -28.779 152 HG13 VAL 18 HG13 VAL 18 -4.211 -11.463 -29.303 153 HG21 VAL 18 HG21 VAL 18 -3.415 -10.474 -26.442 154 HG22 VAL 18 HG22 VAL 18 -4.479 -11.584 -25.579 155 HG23 VAL 18 HG23 VAL 18 -3.531 -12.159 -26.950 156 H ASP 19 H ASP 19 -8.324 -10.819 -26.479 157 HA ASP 19 HA ASP 19 -9.498 -10.457 -29.026 158 HB2 ASP 19 HB2 ASP 19 -10.213 -12.176 -27.369 159 HB3 ASP 19 HB3 ASP 19 -10.904 -10.889 -26.384 160 H ASP 20 H ASP 20 -8.904 -8.280 -26.528 161 HA ASP 20 HA ASP 20 -11.116 -6.515 -27.287 162 HB2 ASP 20 HB2 ASP 20 -10.553 -6.985 -24.852 163 HB3 ASP 20 HB3 ASP 20 -9.086 -6.042 -25.103 164 H ILE 21 H ILE 21 -8.694 -7.096 -28.945 165 HA ILE 21 HA ILE 21 -7.571 -4.379 -29.096 166 HB ILE 21 HB ILE 21 -6.451 -6.974 -30.161 167 HG12 ILE 21 HG12 ILE 21 -5.536 -5.149 -27.926 168 HG13 ILE 21 HG13 ILE 21 -6.238 -6.753 -27.735 169 HG21 ILE 21 HG21 ILE 21 -4.481 -5.643 -30.781 170 HG22 ILE 21 HG22 ILE 21 -5.925 -5.140 -31.659 171 HG23 ILE 21 HG23 ILE 21 -5.336 -4.176 -30.305 172 HD11 ILE 21 HD11 ILE 21 -4.313 -7.716 -28.903 173 HD12 ILE 21 HD12 ILE 21 -3.608 -6.107 -29.045 174 HD13 ILE 21 HD13 ILE 21 -3.841 -6.830 -27.454 175 H ILE 22 H ILE 22 -8.063 -3.143 -30.786 176 HA ILE 22 HA ILE 22 -9.513 -4.366 -33.027 177 HB ILE 22 HB ILE 22 -10.363 -2.168 -33.540 178 HG12 ILE 22 HG12 ILE 22 -8.625 -1.188 -31.265 179 HG13 ILE 22 HG13 ILE 22 -8.361 -0.865 -32.975 180 HG21 ILE 22 HG21 ILE 22 -10.552 -2.610 -30.565 181 HG22 ILE 22 HG22 ILE 22 -11.715 -1.774 -31.591 182 HG23 ILE 22 HG23 ILE 22 -11.469 -3.510 -31.772 183 HD11 ILE 22 HD11 ILE 22 -9.444 1.038 -32.538 184 HD12 ILE 22 HD12 ILE 22 -10.893 0.039 -32.660 185 HD13 ILE 22 HD13 ILE 22 -10.197 0.394 -31.078 186 H ILE 23 H ILE 23 -9.199 -2.646 -35.037 187 HA ILE 23 HA ILE 23 -6.365 -2.945 -35.707 188 HB ILE 23 HB ILE 23 -8.605 -2.203 -37.583 189 HG12 ILE 23 HG12 ILE 23 -9.143 -4.351 -36.567 190 HG13 ILE 23 HG13 ILE 23 -8.633 -4.591 -38.235 191 HG21 ILE 23 HG21 ILE 23 -6.724 -3.560 -39.012 192 HG22 ILE 23 HG22 ILE 23 -6.832 -1.804 -38.893 193 HG23 ILE 23 HG23 ILE 23 -5.731 -2.693 -37.841 194 HD11 ILE 23 HD11 ILE 23 -6.328 -5.087 -37.279 195 HD12 ILE 23 HD12 ILE 23 -7.135 -5.206 -35.716 196 HD13 ILE 23 HD13 ILE 23 -7.591 -6.292 -37.029 197 H LYS 24 H LYS 24 -5.166 -1.252 -36.657 198 HA LYS 24 HA LYS 24 -4.412 0.883 -36.878 199 HB2 LYS 24 HB2 LYS 24 -7.290 1.779 -36.822 200 HB3 LYS 24 HB3 LYS 24 -5.925 2.575 -37.593 201 HG2 LYS 24 HG2 LYS 24 -5.812 0.359 -38.984 202 HG3 LYS 24 HG3 LYS 24 -7.501 0.215 -38.490 203 HD2 LYS 24 HD2 LYS 24 -7.719 2.647 -39.319 204 HD3 LYS 24 HD3 LYS 24 -6.193 2.343 -40.153 205 HE2 LYS 24 HE2 LYS 24 -7.147 0.584 -41.432 206 HE3 LYS 24 HE3 LYS 24 -8.604 0.563 -40.440 207 HZ1 LYS 24 HZ1 LYS 24 -8.577 3.094 -41.326 208 HZ2 LYS 24 HZ2 LYS 24 -9.426 1.834 -42.070 209 HZ3 LYS 24 HZ3 LYS 24 -7.903 2.287 -42.650 210 H CYS 25 H CYS 25 -4.873 -0.278 -34.243 211 HA CYS 25 HA CYS 25 -5.550 2.072 -32.630 212 HG CYS 25 HG CYS 25 -6.124 0.095 -29.233 213 HB2 CYS 25 HB2 CYS 25 -6.389 -0.422 -32.265 214 HB3 CYS 25 HB3 CYS 25 -4.867 -0.556 -31.393 215 H GLN 26 H GLN 26 -4.164 2.638 -30.811 216 HA GLN 26 HA GLN 26 -1.360 2.504 -31.582 217 HB2 GLN 26 HB2 GLN 26 -1.017 4.280 -29.955 218 HB3 GLN 26 HB3 GLN 26 -2.352 4.687 -31.025 219 HG2 GLN 26 HG2 GLN 26 -3.772 3.580 -29.097 220 HG3 GLN 26 HG3 GLN 26 -2.366 4.027 -28.133 221 HE21 GLN 26 HE21 GLN 26 -2.726 5.841 -27.093 222 HE22 GLN 26 HE22 GLN 26 -3.532 7.236 -27.717 223 H CYS 27 H CYS 27 0.199 1.453 -30.482 224 HA CYS 27 HA CYS 27 -0.428 0.329 -27.852 225 HG CYS 27 HG CYS 27 -1.194 -3.332 -28.713 226 HB2 CYS 27 HB2 CYS 27 0.177 -1.191 -30.338 227 HB3 CYS 27 HB3 CYS 27 0.899 -1.770 -28.842 228 H TRP 28 H TRP 28 1.174 0.653 -26.459 229 HA TRP 28 HA TRP 28 3.620 1.867 -27.314 230 HD1 TRP 28 HD1 TRP 28 0.749 3.154 -24.984 231 HE1 TRP 28 HE1 TRP 28 1.092 5.704 -24.914 232 HE3 TRP 28 HE3 TRP 28 5.844 3.299 -25.374 233 HZ2 TRP 28 HZ2 TRP 28 3.238 7.535 -25.012 234 HZ3 TRP 28 HZ3 TRP 28 6.965 5.489 -25.379 235 HH2 TRP 28 HH2 TRP 28 5.687 7.562 -25.202 236 HB2 TRP 28 HB2 TRP 28 2.416 1.111 -24.684 237 HB3 TRP 28 HB3 TRP 28 4.144 1.446 -24.757 238 H VAL 29 H VAL 29 5.599 0.991 -27.567 239 HA VAL 29 HA VAL 29 5.804 -1.925 -27.334 240 HB VAL 29 HB VAL 29 7.659 -0.019 -28.766 241 HG11 VAL 29 HG11 VAL 29 7.657 -2.926 -28.283 242 HG12 VAL 29 HG12 VAL 29 8.026 -2.419 -29.932 243 HG13 VAL 29 HG13 VAL 29 9.000 -1.825 -28.587 244 HG21 VAL 29 HG21 VAL 29 6.574 -1.072 -30.818 245 HG22 VAL 29 HG22 VAL 29 5.298 -1.609 -29.726 246 HG23 VAL 29 HG23 VAL 29 5.618 0.113 -29.928 247 H GLN 30 H GLN 30 6.665 -2.644 -25.504 248 HA GLN 30 HA GLN 30 8.540 -0.990 -24.012 249 HB2 GLN 30 HB2 GLN 30 6.767 -2.026 -22.738 250 HB3 GLN 30 HB3 GLN 30 7.198 -3.616 -23.355 251 HG2 GLN 30 HG2 GLN 30 9.326 -3.510 -22.184 252 HG3 GLN 30 HG3 GLN 30 8.927 -1.899 -21.588 253 HE21 GLN 30 HE21 GLN 30 9.227 -2.759 -19.468 254 HE22 GLN 30 HE22 GLN 30 7.969 -3.669 -18.710 255 H LYS 31 H LYS 31 10.583 -1.089 -24.691 256 HA LYS 31 HA LYS 31 11.674 -3.528 -25.813 257 HB2 LYS 31 HB2 LYS 31 12.483 -0.688 -25.664 258 HB3 LYS 31 HB3 LYS 31 13.798 -1.856 -25.670 259 HG2 LYS 31 HG2 LYS 31 11.677 -2.220 -27.698 260 HG3 LYS 31 HG3 LYS 31 12.757 -0.838 -27.896 261 HD2 LYS 31 HD2 LYS 31 13.973 -2.406 -29.017 262 HD3 LYS 31 HD3 LYS 31 14.593 -2.690 -27.389 263 HE2 LYS 31 HE2 LYS 31 14.049 -4.800 -28.426 264 HE3 LYS 31 HE3 LYS 31 12.927 -4.488 -27.103 265 HZ1 LYS 31 HZ1 LYS 31 11.190 -4.306 -28.501 266 HZ2 LYS 31 HZ2 LYS 31 12.156 -5.242 -29.528 267 HZ3 LYS 31 HZ3 LYS 31 12.090 -3.563 -29.726 268 H ASN 32 H ASN 32 13.846 -4.288 -25.065 269 HA ASN 32 HA ASN 32 13.771 -5.213 -22.467 270 HB2 ASN 32 HB2 ASN 32 15.206 -6.225 -24.147 271 HB3 ASN 32 HB3 ASN 32 16.186 -4.765 -24.233 272 HD21 ASN 32 HD21 ASN 32 15.055 -7.190 -21.913 273 HD22 ASN 32 HD22 ASN 32 16.518 -7.245 -20.995 274 H ASP 33 H ASP 33 15.693 -2.488 -23.719 275 HA ASP 33 HA ASP 33 15.677 -1.345 -21.012 276 HB2 ASP 33 HB2 ASP 33 17.983 -0.796 -21.087 277 HB3 ASP 33 HB3 ASP 33 17.881 -2.481 -21.589 278 H GLU 34 H GLU 34 14.182 -0.849 -23.556 279 HA GLU 34 HA GLU 34 14.680 2.034 -23.659 280 HB2 GLU 34 HB2 GLU 34 14.693 0.140 -25.977 281 HB3 GLU 34 HB3 GLU 34 14.102 1.779 -26.207 282 HG2 GLU 34 HG2 GLU 34 16.827 1.030 -25.172 283 HG3 GLU 34 HG3 GLU 34 16.456 1.559 -26.812 284 H GLU 35 H GLU 35 12.827 3.070 -25.058 285 HA GLU 35 HA GLU 35 10.288 1.686 -24.599 286 HB2 GLU 35 HB2 GLU 35 11.180 4.229 -23.336 287 HB3 GLU 35 HB3 GLU 35 9.506 4.129 -23.863 288 HG2 GLU 35 HG2 GLU 35 9.346 1.990 -22.535 289 HG3 GLU 35 HG3 GLU 35 10.915 2.407 -21.849 290 H ARG 36 H ARG 36 9.240 1.662 -26.465 291 HA ARG 36 HA ARG 36 9.336 4.056 -28.172 292 HE ARG 36 HE ARG 36 13.380 3.832 -29.870 293 HB2 ARG 36 HB2 ARG 36 9.979 1.240 -28.858 294 HB3 ARG 36 HB3 ARG 36 9.045 2.149 -30.039 295 HG2 ARG 36 HG2 ARG 36 11.057 2.764 -30.802 296 HG3 ARG 36 HG3 ARG 36 11.006 3.924 -29.473 297 HD2 ARG 36 HD2 ARG 36 12.144 2.224 -28.045 298 HD3 ARG 36 HD3 ARG 36 12.320 1.212 -29.477 299 HH11 ARG 36 HH11 ARG 36 14.048 0.709 -28.487 300 HH12 ARG 36 HH12 ARG 36 15.768 0.877 -28.609 301 HH21 ARG 36 HH21 ARG 36 15.643 4.067 -30.037 302 HH22 ARG 36 HH22 ARG 36 16.674 2.788 -29.490 303 H LEU 37 H LEU 37 7.575 3.744 -29.995 304 HA LEU 37 HA LEU 37 5.156 2.524 -28.885 305 HG LEU 37 HG LEU 37 3.496 4.718 -30.792 306 HB2 LEU 37 HB2 LEU 37 4.879 4.713 -28.112 307 HB3 LEU 37 HB3 LEU 37 5.540 5.412 -29.588 308 HD11 LEU 37 HD11 LEU 37 2.501 2.953 -29.764 309 HD12 LEU 37 HD12 LEU 37 1.554 4.254 -29.043 310 HD13 LEU 37 HD13 LEU 37 2.888 3.532 -28.144 311 HD21 LEU 37 HD21 LEU 37 1.974 6.350 -29.660 312 HD22 LEU 37 HD22 LEU 37 3.592 6.965 -29.997 313 HD23 LEU 37 HD23 LEU 37 3.161 6.466 -28.361 314 H ALA 38 H ALA 38 3.893 1.580 -30.381 315 HA ALA 38 HA ALA 38 4.280 2.283 -33.205 316 HB1 ALA 38 HB1 ALA 38 4.538 -0.444 -31.982 317 HB2 ALA 38 HB2 ALA 38 4.112 -0.229 -33.680 318 HB3 ALA 38 HB3 ALA 38 5.645 0.393 -33.071 319 H GLU 39 H GLU 39 2.570 1.031 -34.568 320 HA GLU 39 HA GLU 39 0.000 1.179 -33.133 321 HB2 GLU 39 HB2 GLU 39 0.771 2.808 -35.164 322 HB3 GLU 39 HB3 GLU 39 -0.019 1.522 -36.065 323 HG2 GLU 39 HG2 GLU 39 -2.066 1.857 -34.884 324 HG3 GLU 39 HG3 GLU 39 -1.298 2.991 -33.775 325 H ILE 40 H ILE 40 -1.740 -0.160 -34.059 326 HA ILE 40 HA ILE 40 -0.668 -2.762 -34.880 327 HB ILE 40 HB ILE 40 -3.389 -2.053 -33.776 328 HG12 ILE 40 HG12 ILE 40 -1.528 -1.856 -32.149 329 HG13 ILE 40 HG13 ILE 40 -2.644 -3.155 -31.741 330 HG21 ILE 40 HG21 ILE 40 -2.303 -4.487 -35.004 331 HG22 ILE 40 HG22 ILE 40 -3.126 -4.734 -33.465 332 HG23 ILE 40 HG23 ILE 40 -3.975 -3.963 -34.805 333 HD11 ILE 40 HD11 ILE 40 -1.106 -4.801 -32.567 334 HD12 ILE 40 HD12 ILE 40 -0.019 -3.545 -33.156 335 HD13 ILE 40 HD13 ILE 40 -0.273 -3.749 -31.423 336 H LEU 41 H LEU 41 -0.820 -3.351 -36.932 337 HA LEU 41 HA LEU 41 -2.772 -2.007 -38.660 338 HG LEU 41 HG LEU 41 0.123 -1.158 -38.726 339 HB2 LEU 41 HB2 LEU 41 -0.240 -3.524 -39.227 340 HB3 LEU 41 HB3 LEU 41 -1.381 -3.085 -40.496 341 HD11 LEU 41 HD11 LEU 41 1.093 -0.548 -41.034 342 HD12 LEU 41 HD12 LEU 41 0.539 -2.149 -41.520 343 HD13 LEU 41 HD13 LEU 41 1.707 -1.982 -40.210 344 HD21 LEU 41 HD21 LEU 41 -2.268 -0.837 -40.238 345 HD22 LEU 41 HD22 LEU 41 -0.976 0.067 -41.027 346 HD23 LEU 41 HD23 LEU 41 -1.359 0.375 -39.334 347 H SER 42 H SER 42 -1.307 -5.257 -38.638 348 HA SER 42 HA SER 42 -4.009 -6.370 -39.022 349 HG SER 42 HG SER 42 -3.463 -7.983 -41.784 350 HB2 SER 42 HB2 SER 42 -2.261 -6.410 -40.996 351 HB3 SER 42 HB3 SER 42 -1.598 -7.779 -40.104 352 H ILE 43 H ILE 43 -4.250 -8.623 -38.310 353 HA ILE 43 HA ILE 43 -2.414 -9.316 -36.113 354 HB ILE 43 HB ILE 43 -5.386 -9.792 -36.000 355 HG12 ILE 43 HG12 ILE 43 -5.102 -7.399 -36.061 356 HG13 ILE 43 HG13 ILE 43 -5.439 -7.870 -34.398 357 HG21 ILE 43 HG21 ILE 43 -4.624 -11.172 -34.393 358 HG22 ILE 43 HG22 ILE 43 -3.078 -10.334 -34.261 359 HG23 ILE 43 HG23 ILE 43 -4.504 -9.687 -33.449 360 HD11 ILE 43 HD11 ILE 43 -3.227 -6.416 -35.442 361 HD12 ILE 43 HD12 ILE 43 -3.626 -6.784 -33.764 362 HD13 ILE 43 HD13 ILE 43 -2.643 -7.908 -34.704 363 H ASN 44 H ASN 44 -2.238 -11.554 -35.617 364 HA ASN 44 HA ASN 44 -3.327 -13.385 -37.640 365 HB2 ASN 44 HB2 ASN 44 -0.475 -12.877 -36.962 366 HB3 ASN 44 HB3 ASN 44 -0.947 -14.548 -37.255 367 HD21 ASN 44 HD21 ASN 44 -0.798 -11.335 -38.634 368 HD22 ASN 44 HD22 ASN 44 -0.856 -11.836 -40.287 369 H THR 45 H THR 45 -4.258 -15.124 -36.783 370 HA THR 45 HA THR 45 -3.613 -15.814 -33.990 371 HB THR 45 HB THR 45 -5.945 -16.809 -33.932 372 HG1 THR 45 HG1 THR 45 -7.379 -15.827 -35.530 373 HG21 THR 45 HG21 THR 45 -5.983 -14.907 -32.703 374 HG22 THR 45 HG22 THR 45 -6.948 -14.307 -34.052 375 HG23 THR 45 HG23 THR 45 -5.223 -13.947 -33.971 376 H ARG 46 H ARG 46 -2.070 -16.888 -36.007 377 HA ARG 46 HA ARG 46 -3.107 -19.605 -36.404 378 HE ARG 46 HE ARG 46 -2.091 -21.550 -40.600 379 HB2 ARG 46 HB2 ARG 46 -2.140 -18.130 -38.309 380 HB3 ARG 46 HB3 ARG 46 -0.575 -18.547 -37.624 381 HG2 ARG 46 HG2 ARG 46 -0.941 -20.091 -39.349 382 HG3 ARG 46 HG3 ARG 46 -1.276 -20.970 -37.856 383 HD2 ARG 46 HD2 ARG 46 -3.505 -21.122 -38.285 384 HD3 ARG 46 HD3 ARG 46 -3.552 -19.589 -39.154 385 HH11 ARG 46 HH11 ARG 46 -5.320 -20.544 -39.778 386 HH12 ARG 46 HH12 ARG 46 -6.035 -21.223 -41.202 387 HH21 ARG 46 HH21 ARG 46 -3.020 -22.449 -42.480 388 HH22 ARG 46 HH22 ARG 46 -4.725 -22.307 -42.738 389 H LYS 47 H LYS 47 -1.693 -18.207 -33.992 390 HA LYS 47 HA LYS 47 -0.208 -20.564 -33.217 391 HB2 LYS 47 HB2 LYS 47 1.107 -17.970 -33.851 392 HB3 LYS 47 HB3 LYS 47 1.684 -18.850 -32.442 393 HG2 LYS 47 HG2 LYS 47 1.928 -20.856 -33.970 394 HG3 LYS 47 HG3 LYS 47 1.677 -19.735 -35.310 395 HD2 LYS 47 HD2 LYS 47 3.712 -18.772 -35.059 396 HD3 LYS 47 HD3 LYS 47 3.691 -18.937 -33.302 397 HE2 LYS 47 HE2 LYS 47 4.420 -21.159 -33.390 398 HE3 LYS 47 HE3 LYS 47 3.999 -21.324 -35.094 399 HZ1 LYS 47 HZ1 LYS 47 6.383 -21.135 -34.800 400 HZ2 LYS 47 HZ2 LYS 47 6.200 -19.652 -34.005 401 HZ3 LYS 47 HZ3 LYS 47 5.791 -19.791 -35.640 402 H ALA 48 H ALA 48 0.803 -20.082 -30.919 403 HA ALA 48 HA ALA 48 -0.970 -18.337 -29.371 404 HB1 ALA 48 HB1 ALA 48 -2.149 -20.311 -29.074 405 HB2 ALA 48 HB2 ALA 48 -0.687 -21.298 -29.043 406 HB3 ALA 48 HB3 ALA 48 -1.089 -20.275 -27.665 407 HA PRO 49 HA PRO 49 -0.975 -16.955 -28.034 408 HB2 PRO 49 HB2 PRO 49 0.238 -14.531 -27.898 409 HB3 PRO 49 HB3 PRO 49 -0.076 -15.529 -26.474 410 HG2 PRO 49 HG2 PRO 49 2.456 -15.203 -28.038 411 HG3 PRO 49 HG3 PRO 49 2.226 -15.259 -26.280 412 HD2 PRO 49 HD2 PRO 49 3.086 -17.394 -27.705 413 HD3 PRO 49 HD3 PRO 49 2.091 -17.560 -26.245 414 HA PRO 50 HA PRO 50 -1.143 -15.724 -32.252 415 HB2 PRO 50 HB2 PRO 50 -2.652 -13.470 -32.161 416 HB3 PRO 50 HB3 PRO 50 -3.319 -15.084 -31.890 417 HG2 PRO 50 HG2 PRO 50 -2.513 -13.006 -29.891 418 HG3 PRO 50 HG3 PRO 50 -3.950 -14.045 -29.907 419 HD2 PRO 50 HD2 PRO 50 -1.785 -14.577 -28.370 420 HD3 PRO 50 HD3 PRO 50 -2.804 -15.857 -29.059 421 H LYS 51 H LYS 51 -0.510 -14.116 -33.820 422 HA LYS 51 HA LYS 51 1.637 -12.394 -32.810 423 HB2 LYS 51 HB2 LYS 51 1.040 -13.363 -35.612 424 HB3 LYS 51 HB3 LYS 51 2.398 -12.336 -35.171 425 HG2 LYS 51 HG2 LYS 51 3.595 -14.047 -34.357 426 HG3 LYS 51 HG3 LYS 51 2.186 -14.821 -33.627 427 HD2 LYS 51 HD2 LYS 51 2.657 -14.818 -36.597 428 HD3 LYS 51 HD3 LYS 51 3.331 -16.060 -35.539 429 HE2 LYS 51 HE2 LYS 51 0.825 -16.182 -34.696 430 HE3 LYS 51 HE3 LYS 51 0.505 -15.531 -36.303 431 HZ1 LYS 51 HZ1 LYS 51 0.594 -18.078 -35.941 432 HZ2 LYS 51 HZ2 LYS 51 2.271 -17.864 -36.010 433 HZ3 LYS 51 HZ3 LYS 51 1.305 -17.410 -37.323 434 H PHE 52 H PHE 52 1.960 -10.299 -33.963 435 HA PHE 52 HA PHE 52 -0.479 -9.096 -35.015 436 HD1 PHE 52 HD1 PHE 52 -2.518 -8.766 -32.909 437 HD2 PHE 52 HD2 PHE 52 1.287 -9.343 -31.090 438 HE1 PHE 52 HE1 PHE 52 -3.569 -10.127 -31.149 439 HE2 PHE 52 HE2 PHE 52 0.243 -10.706 -29.328 440 HZ PHE 52 HZ PHE 52 -2.189 -11.098 -29.355 441 HB2 PHE 52 HB2 PHE 52 1.004 -7.711 -32.789 442 HB3 PHE 52 HB3 PHE 52 -0.585 -7.332 -33.446 443 H TYR 53 H TYR 53 -0.117 -7.056 -36.080 444 HA TYR 53 HA TYR 53 2.634 -6.831 -37.082 445 HD1 TYR 53 HD1 TYR 53 3.368 -5.039 -38.961 446 HD2 TYR 53 HD2 TYR 53 0.799 -8.153 -40.306 447 HE1 TYR 53 HE1 TYR 53 4.921 -5.516 -40.807 448 HE2 TYR 53 HE2 TYR 53 2.346 -8.639 -42.155 449 HH TYR 53 HH TYR 53 4.485 -6.718 -43.316 450 HB2 TYR 53 HB2 TYR 53 0.206 -6.971 -38.427 451 HB3 TYR 53 HB3 TYR 53 0.635 -5.266 -38.509 452 H VAL 54 H VAL 54 3.812 -5.290 -36.174 453 HA VAL 54 HA VAL 54 2.505 -2.937 -35.033 454 HB VAL 54 HB VAL 54 4.770 -2.446 -34.086 455 HG11 VAL 54 HG11 VAL 54 3.198 -4.894 -33.470 456 HG12 VAL 54 HG12 VAL 54 4.727 -4.644 -32.626 457 HG13 VAL 54 HG13 VAL 54 3.446 -3.437 -32.508 458 HG21 VAL 54 HG21 VAL 54 5.461 -5.187 -35.140 459 HG22 VAL 54 HG22 VAL 54 6.059 -3.667 -35.805 460 HG23 VAL 54 HG23 VAL 54 6.492 -4.142 -34.162 461 H HIS 55 H HIS 55 2.751 -0.909 -35.800 462 HA HIS 55 HA HIS 55 4.473 -0.564 -38.167 463 HD1 HIS 55 HD1 HIS 55 3.901 -0.141 -40.652 464 HD2 HIS 55 HD2 HIS 55 2.103 3.224 -39.007 465 HE1 HIS 55 HE1 HIS 55 4.219 1.689 -42.348 466 HB2 HIS 55 HB2 HIS 55 2.000 -0.484 -38.611 467 HB3 HIS 55 HB3 HIS 55 1.918 0.942 -37.582 468 H TYR 56 H TYR 56 5.312 1.615 -38.503 469 HA TYR 56 HA TYR 56 5.993 2.865 -35.941 470 HD1 TYR 56 HD1 TYR 56 7.287 1.285 -39.645 471 HD2 TYR 56 HD2 TYR 56 7.489 5.458 -38.840 472 HE1 TYR 56 HE1 TYR 56 7.348 1.742 -42.061 473 HE2 TYR 56 HE2 TYR 56 7.549 5.927 -41.253 474 HH TYR 56 HH TYR 56 8.151 3.567 -43.569 475 HB2 TYR 56 HB2 TYR 56 7.892 3.838 -37.086 476 HB3 TYR 56 HB3 TYR 56 7.843 2.110 -37.418 477 H VAL 57 H VAL 57 6.725 5.363 -36.666 478 HA VAL 57 HA VAL 57 4.575 6.621 -38.157 479 HB VAL 57 HB VAL 57 4.138 8.219 -36.225 480 HG11 VAL 57 HG11 VAL 57 3.231 5.403 -35.689 481 HG12 VAL 57 HG12 VAL 57 2.360 6.909 -35.395 482 HG13 VAL 57 HG13 VAL 57 2.630 6.353 -37.047 483 HG21 VAL 57 HG21 VAL 57 4.692 6.205 -34.217 484 HG22 VAL 57 HG22 VAL 57 6.163 6.759 -35.017 485 HG23 VAL 57 HG23 VAL 57 5.094 7.922 -34.233 486 H ASN 58 H ASN 58 5.841 7.727 -39.528 487 HA ASN 58 HA ASN 58 7.341 9.239 -40.326 488 HB2 ASN 58 HB2 ASN 58 6.725 10.317 -37.598 489 HB3 ASN 58 HB3 ASN 58 7.980 11.080 -38.570 490 HD21 ASN 58 HD21 ASN 58 5.238 11.911 -37.659 491 HD22 ASN 58 HD22 ASN 58 4.453 12.449 -39.101 492 H TYR 59 H TYR 59 8.560 6.962 -39.840 493 HA TYR 59 HA TYR 59 11.214 7.778 -39.046 494 HD1 TYR 59 HD1 TYR 59 11.427 8.799 -36.910 495 HD2 TYR 59 HD2 TYR 59 12.378 4.669 -36.537 496 HE1 TYR 59 HE1 TYR 59 13.428 9.384 -35.606 497 HE2 TYR 59 HE2 TYR 59 14.382 5.242 -35.230 498 HH TYR 59 HH TYR 59 15.085 8.586 -34.318 499 HB2 TYR 59 HB2 TYR 59 9.667 6.676 -37.068 500 HB3 TYR 59 HB3 TYR 59 10.494 5.262 -37.711 501 H ASN 60 H ASN 60 12.479 5.371 -38.933 502 HA ASN 60 HA ASN 60 12.823 4.666 -41.587 503 HB2 ASN 60 HB2 ASN 60 13.436 3.160 -39.045 504 HB3 ASN 60 HB3 ASN 60 13.901 2.559 -40.634 505 HD21 ASN 60 HD21 ASN 60 15.942 2.936 -41.049 506 HD22 ASN 60 HD22 ASN 60 16.835 4.347 -40.603 507 H LYS 61 H LYS 61 12.587 2.288 -42.364 508 HA LYS 61 HA LYS 61 9.750 1.606 -42.097 509 HB2 LYS 61 HB2 LYS 61 10.678 2.046 -44.365 510 HB3 LYS 61 HB3 LYS 61 11.750 0.667 -44.161 511 HG2 LYS 61 HG2 LYS 61 9.829 -0.820 -43.994 512 HG3 LYS 61 HG3 LYS 61 8.740 0.559 -44.166 513 HD2 LYS 61 HD2 LYS 61 8.901 -0.470 -46.304 514 HD3 LYS 61 HD3 LYS 61 9.843 1.021 -46.379 515 HE2 LYS 61 HE2 LYS 61 11.892 -0.166 -46.205 516 HE3 LYS 61 HE3 LYS 61 11.065 -1.663 -45.777 517 HZ1 LYS 61 HZ1 LYS 61 11.850 -0.914 -48.281 518 HZ2 LYS 61 HZ2 LYS 61 10.183 -0.623 -48.287 519 HZ3 LYS 61 HZ3 LYS 61 10.771 -2.163 -47.908 520 H ARG 62 H ARG 62 12.872 0.506 -41.244 521 HA ARG 62 HA ARG 62 12.553 -2.259 -41.184 522 HE ARG 62 HE ARG 62 14.100 -1.344 -36.818 523 HB2 ARG 62 HB2 ARG 62 14.280 -2.229 -39.395 524 HB3 ARG 62 HB3 ARG 62 14.711 -1.256 -40.795 525 HG2 ARG 62 HG2 ARG 62 14.475 0.731 -39.660 526 HG3 ARG 62 HG3 ARG 62 13.376 0.039 -38.465 527 HD2 ARG 62 HD2 ARG 62 16.201 -0.922 -38.628 528 HD3 ARG 62 HD3 ARG 62 15.838 0.598 -37.811 529 HH11 ARG 62 HH11 ARG 62 17.507 -0.628 -36.841 530 HH12 ARG 62 HH12 ARG 62 17.813 -1.399 -35.320 531 HH21 ARG 62 HH21 ARG 62 14.490 -2.362 -34.814 532 HH22 ARG 62 HH22 ARG 62 16.096 -2.386 -34.168 533 H LEU 63 H LEU 63 11.201 0.196 -39.154 534 HA LEU 63 HA LEU 63 10.540 -1.516 -36.959 535 HG LEU 63 HG LEU 63 11.857 0.980 -36.417 536 HB2 LEU 63 HB2 LEU 63 9.839 1.263 -37.782 537 HB3 LEU 63 HB3 LEU 63 8.884 0.471 -36.531 538 HD11 LEU 63 HD11 LEU 63 10.442 3.009 -36.242 539 HD12 LEU 63 HD12 LEU 63 11.347 2.651 -34.771 540 HD13 LEU 63 HD13 LEU 63 9.626 2.276 -34.860 541 HD21 LEU 63 HD21 LEU 63 9.988 -0.594 -34.756 542 HD22 LEU 63 HD22 LEU 63 11.139 0.428 -33.896 543 HD23 LEU 63 HD23 LEU 63 11.720 -0.797 -35.025 544 H ASP 64 H ASP 64 9.133 -0.812 -40.019 545 HA ASP 64 HA ASP 64 6.449 -1.547 -39.367 546 HB2 ASP 64 HB2 ASP 64 7.188 -0.111 -41.332 547 HB3 ASP 64 HB3 ASP 64 7.699 -1.606 -42.113 548 H GLU 65 H GLU 65 6.989 -3.537 -38.195 549 HA GLU 65 HA GLU 65 6.997 -5.820 -40.028 550 HB2 GLU 65 HB2 GLU 65 8.529 -7.042 -38.464 551 HB3 GLU 65 HB3 GLU 65 9.285 -5.721 -39.343 552 HG2 GLU 65 HG2 GLU 65 10.111 -5.413 -37.226 553 HG3 GLU 65 HG3 GLU 65 8.720 -4.330 -37.229 554 H TRP 66 H TRP 66 6.778 -7.898 -38.410 555 HA TRP 66 HA TRP 66 4.523 -7.261 -36.622 556 HD1 TRP 66 HD1 TRP 66 5.822 -8.701 -40.320 557 HE1 TRP 66 HE1 TRP 66 6.829 -10.919 -41.148 558 HE3 TRP 66 HE3 TRP 66 3.979 -11.824 -36.716 559 HZ2 TRP 66 HZ2 TRP 66 6.841 -13.635 -40.377 560 HZ3 TRP 66 HZ3 TRP 66 4.535 -14.218 -36.835 561 HH2 TRP 66 HH2 TRP 66 5.935 -15.103 -38.628 562 HB2 TRP 66 HB2 TRP 66 3.571 -9.482 -37.261 563 HB3 TRP 66 HB3 TRP 66 3.638 -8.329 -38.591 564 H ILE 67 H ILE 67 4.486 -8.215 -34.644 565 HA ILE 67 HA ILE 67 6.488 -10.274 -34.047 566 HB ILE 67 HB ILE 67 6.902 -9.090 -31.835 567 HG12 ILE 67 HG12 ILE 67 5.997 -6.635 -33.331 568 HG13 ILE 67 HG13 ILE 67 4.923 -7.508 -32.244 569 HG21 ILE 67 HG21 ILE 67 8.074 -8.762 -34.397 570 HG22 ILE 67 HG22 ILE 67 8.149 -7.212 -33.561 571 HG23 ILE 67 HG23 ILE 67 8.843 -8.652 -32.815 572 HD11 ILE 67 HD11 ILE 67 6.434 -7.104 -30.394 573 HD12 ILE 67 HD12 ILE 67 7.560 -6.282 -31.474 574 HD13 ILE 67 HD13 ILE 67 5.969 -5.587 -31.163 575 H THR 68 H THR 68 6.121 -10.848 -31.533 576 HA THR 68 HA THR 68 3.289 -11.588 -31.370 577 HB THR 68 HB THR 68 3.947 -13.329 -29.830 578 HG1 THR 68 HG1 THR 68 6.164 -13.552 -29.246 579 HG21 THR 68 HG21 THR 68 4.715 -13.216 -32.496 580 HG22 THR 68 HG22 THR 68 4.608 -14.664 -31.496 581 HG23 THR 68 HG23 THR 68 6.146 -13.816 -31.658 582 H THR 69 H THR 69 2.755 -12.016 -28.844 583 HA THR 69 HA THR 69 2.569 -9.395 -27.717 584 HB THR 69 HB THR 69 0.713 -10.890 -27.401 585 HG1 THR 69 HG1 THR 69 1.863 -10.828 -24.827 586 HG21 THR 69 HG21 THR 69 2.735 -12.704 -26.097 587 HG22 THR 69 HG22 THR 69 1.723 -13.040 -27.501 588 HG23 THR 69 HG23 THR 69 0.994 -12.904 -25.901 589 H ASP 70 H ASP 70 4.788 -11.992 -27.418 590 HA ASP 70 HA ASP 70 5.725 -11.673 -24.812 591 HB2 ASP 70 HB2 ASP 70 6.388 -13.539 -26.268 592 HB3 ASP 70 HB3 ASP 70 7.301 -12.426 -27.283 593 H ARG 71 H ARG 71 6.097 -9.655 -27.581 594 HA ARG 71 HA ARG 71 8.065 -8.012 -26.128 595 HE ARG 71 HE ARG 71 9.333 -9.710 -25.876 596 HB2 ARG 71 HB2 ARG 71 7.576 -8.118 -29.110 597 HB3 ARG 71 HB3 ARG 71 8.794 -7.147 -28.293 598 HG2 ARG 71 HG2 ARG 71 8.747 -10.135 -28.052 599 HG3 ARG 71 HG3 ARG 71 9.543 -9.319 -29.399 600 HD2 ARG 71 HD2 ARG 71 11.269 -9.591 -27.876 601 HD3 ARG 71 HD3 ARG 71 10.725 -7.944 -27.556 602 HH11 ARG 71 HH11 ARG 71 12.535 -8.431 -26.355 603 HH12 ARG 71 HH12 ARG 71 12.984 -8.577 -24.688 604 HH21 ARG 71 HH21 ARG 71 9.912 -9.908 -23.679 605 HH22 ARG 71 HH22 ARG 71 11.492 -9.418 -23.167 606 H ILE 72 H ILE 72 4.894 -8.183 -27.288 607 HA ILE 72 HA ILE 72 4.582 -5.269 -27.357 608 HB ILE 72 HB ILE 72 2.614 -7.436 -28.106 609 HG12 ILE 72 HG12 ILE 72 4.146 -5.524 -29.880 610 HG13 ILE 72 HG13 ILE 72 4.597 -7.204 -29.611 611 HG21 ILE 72 HG21 ILE 72 1.127 -5.794 -27.740 612 HG22 ILE 72 HG22 ILE 72 2.362 -4.536 -27.752 613 HG23 ILE 72 HG23 ILE 72 1.719 -5.154 -29.274 614 HD11 ILE 72 HD11 ILE 72 3.117 -6.384 -31.676 615 HD12 ILE 72 HD12 ILE 72 2.980 -7.991 -30.964 616 HD13 ILE 72 HD13 ILE 72 1.834 -6.727 -30.516 617 H ASN 73 H ASN 73 3.207 -4.172 -25.987 618 HA ASN 73 HA ASN 73 2.166 -5.718 -23.704 619 HB2 ASN 73 HB2 ASN 73 4.145 -4.242 -23.193 620 HB3 ASN 73 HB3 ASN 73 3.137 -2.857 -23.605 621 HD21 ASN 73 HD21 ASN 73 3.065 -1.930 -21.625 622 HD22 ASN 73 HD22 ASN 73 2.314 -2.655 -20.247 623 H LEU 74 H LEU 74 0.042 -5.617 -23.419 624 HA LEU 74 HA LEU 74 -1.697 -4.255 -25.109 625 HG LEU 74 HG LEU 74 -3.930 -4.678 -24.814 626 HB2 LEU 74 HB2 LEU 74 -1.973 -6.172 -23.227 627 HB3 LEU 74 HB3 LEU 74 -2.681 -4.796 -22.385 628 HD11 LEU 74 HD11 LEU 74 -4.517 -6.797 -25.576 629 HD12 LEU 74 HD12 LEU 74 -3.947 -7.590 -24.108 630 HD13 LEU 74 HD13 LEU 74 -2.787 -6.934 -25.264 631 HD21 LEU 74 HD21 LEU 74 -4.624 -5.794 -22.142 632 HD22 LEU 74 HD22 LEU 74 -5.759 -6.008 -23.474 633 HD23 LEU 74 HD23 LEU 74 -5.274 -4.385 -22.982 634 H ASP 75 H ASP 75 -3.527 -2.803 -24.026 635 HA ASP 75 HA ASP 75 -2.110 -0.461 -22.978 636 HB2 ASP 75 HB2 ASP 75 -3.602 -0.421 -25.094 637 HB3 ASP 75 HB3 ASP 75 -4.951 -0.455 -23.962 638 H LYS 76 H LYS 76 -4.362 -2.886 -22.089 639 HA LYS 76 HA LYS 76 -5.891 -1.619 -20.143 640 HB2 LYS 76 HB2 LYS 76 -4.967 -4.432 -20.558 641 HB3 LYS 76 HB3 LYS 76 -5.761 -4.014 -19.046 642 HG2 LYS 76 HG2 LYS 76 -7.673 -3.129 -20.382 643 HG3 LYS 76 HG3 LYS 76 -6.890 -3.779 -21.824 644 HD2 LYS 76 HD2 LYS 76 -8.337 -5.488 -21.253 645 HD3 LYS 76 HD3 LYS 76 -6.842 -6.001 -20.468 646 HE2 LYS 76 HE2 LYS 76 -8.613 -6.296 -18.902 647 HE3 LYS 76 HE3 LYS 76 -7.667 -4.906 -18.375 648 HZ1 LYS 76 HZ1 LYS 76 -9.364 -3.499 -18.747 649 HZ2 LYS 76 HZ2 LYS 76 -10.315 -4.887 -18.577 650 HZ3 LYS 76 HZ3 LYS 76 -9.913 -4.322 -20.119 651 H GLU 77 H GLU 77 -5.648 -2.386 -17.707 652 HA GLU 77 HA GLU 77 -3.633 -0.900 -16.550 653 HB2 GLU 77 HB2 GLU 77 -4.267 -1.833 -14.470 654 HB3 GLU 77 HB3 GLU 77 -5.727 -1.816 -15.450 655 HG2 GLU 77 HG2 GLU 77 -5.292 -4.210 -16.001 656 HG3 GLU 77 HG3 GLU 77 -3.976 -4.179 -14.828 657 H VAL 78 H VAL 78 -1.562 -1.232 -15.963 658 HA VAL 78 HA VAL 78 -0.442 -3.934 -16.298 659 HB VAL 78 HB VAL 78 0.697 -1.343 -17.335 660 HG11 VAL 78 HG11 VAL 78 2.505 -3.262 -18.043 661 HG12 VAL 78 HG12 VAL 78 2.700 -2.128 -16.705 662 HG13 VAL 78 HG13 VAL 78 2.075 -3.750 -16.404 663 HG21 VAL 78 HG21 VAL 78 -0.819 -3.388 -18.516 664 HG22 VAL 78 HG22 VAL 78 0.006 -2.055 -19.324 665 HG23 VAL 78 HG23 VAL 78 0.829 -3.599 -19.106 666 H LEU 79 H LEU 79 0.472 -4.618 -14.486 667 HA LEU 79 HA LEU 79 1.836 -2.674 -12.756 668 HG LEU 79 HG LEU 79 -0.833 -2.207 -12.181 669 HB2 LEU 79 HB2 LEU 79 -0.271 -4.660 -12.018 670 HB3 LEU 79 HB3 LEU 79 0.968 -4.218 -10.845 671 HD11 LEU 79 HD11 LEU 79 -1.181 -3.632 -9.549 672 HD12 LEU 79 HD12 LEU 79 -2.246 -3.716 -10.951 673 HD13 LEU 79 HD13 LEU 79 -2.091 -2.207 -10.052 674 HD21 LEU 79 HD21 LEU 79 0.585 -1.913 -9.562 675 HD22 LEU 79 HD22 LEU 79 -0.004 -0.666 -10.662 676 HD23 LEU 79 HD23 LEU 79 1.430 -1.604 -11.080 677 H TYR 80 H TYR 80 3.835 -3.377 -13.525 678 HA TYR 80 HA TYR 80 4.547 -6.157 -12.862 679 HD1 TYR 80 HD1 TYR 80 4.920 -7.909 -14.593 680 HD2 TYR 80 HD2 TYR 80 4.248 -4.293 -16.732 681 HE1 TYR 80 HE1 TYR 80 3.550 -9.137 -16.227 682 HE2 TYR 80 HE2 TYR 80 2.876 -5.511 -18.371 683 HH TYR 80 HH TYR 80 2.930 -8.449 -18.995 684 HB2 TYR 80 HB2 TYR 80 5.682 -4.267 -14.922 685 HB3 TYR 80 HB3 TYR 80 6.476 -5.769 -14.463 686 HA PRO 81 HA PRO 81 6.769 -3.645 -9.729 687 HB2 PRO 81 HB2 PRO 81 6.641 -5.558 -7.806 688 HB3 PRO 81 HB3 PRO 81 5.330 -4.412 -8.110 689 HG2 PRO 81 HG2 PRO 81 5.613 -7.250 -9.018 690 HG3 PRO 81 HG3 PRO 81 4.185 -6.418 -8.376 691 HD2 PRO 81 HD2 PRO 81 4.556 -6.842 -11.024 692 HD3 PRO 81 HD3 PRO 81 3.705 -5.416 -10.396 693 H LYS 82 H LYS 82 8.918 -3.683 -9.372 694 HA LYS 82 HA LYS 82 10.481 -5.791 -10.565 695 HB2 LYS 82 HB2 LYS 82 10.915 -3.173 -10.415 696 HB3 LYS 82 HB3 LYS 82 11.739 -3.636 -8.932 697 HG2 LYS 82 HG2 LYS 82 13.496 -3.819 -10.330 698 HG3 LYS 82 HG3 LYS 82 12.819 -5.427 -10.595 699 HD2 LYS 82 HD2 LYS 82 12.030 -3.067 -12.280 700 HD3 LYS 82 HD3 LYS 82 13.439 -4.059 -12.661 701 HE2 LYS 82 HE2 LYS 82 11.890 -5.177 -13.892 702 HE3 LYS 82 HE3 LYS 82 11.657 -6.008 -12.355 703 HZ1 LYS 82 HZ1 LYS 82 9.868 -4.269 -13.788 704 HZ2 LYS 82 HZ2 LYS 82 10.001 -3.886 -12.145 705 HZ3 LYS 82 HZ3 LYS 82 9.530 -5.441 -12.616 706 H LEU 83 H LEU 83 12.060 -7.053 -9.492 707 HA LEU 83 HA LEU 83 11.229 -8.197 -7.073 708 HG LEU 83 HG LEU 83 11.783 -9.559 -9.473 709 HB2 LEU 83 HB2 LEU 83 13.820 -8.308 -8.588 710 HB3 LEU 83 HB3 LEU 83 13.576 -9.197 -7.085 711 HD11 LEU 83 HD11 LEU 83 13.826 -11.600 -8.948 712 HD12 LEU 83 HD12 LEU 83 14.437 -10.080 -9.600 713 HD13 LEU 83 HD13 LEU 83 13.200 -10.981 -10.476 714 HD21 LEU 83 HD21 LEU 83 11.947 -10.636 -6.791 715 HD22 LEU 83 HD22 LEU 83 12.014 -11.905 -8.013 716 HD23 LEU 83 HD23 LEU 83 10.659 -10.777 -7.988 717 H LYS 84 H LYS 84 12.758 -8.420 -5.140 718 HA LYS 84 HA LYS 84 13.032 -5.890 -3.919 719 HB2 LYS 84 HB2 LYS 84 12.745 -8.295 -2.896 720 HB3 LYS 84 HB3 LYS 84 14.504 -8.288 -2.898 721 HG2 LYS 84 HG2 LYS 84 13.047 -5.981 -1.704 722 HG3 LYS 84 HG3 LYS 84 13.168 -7.493 -0.802 723 HD2 LYS 84 HD2 LYS 84 15.627 -6.325 -2.022 724 HD3 LYS 84 HD3 LYS 84 14.989 -5.623 -0.534 725 HE2 LYS 84 HE2 LYS 84 14.958 -8.022 0.360 726 HE3 LYS 84 HE3 LYS 84 15.983 -8.416 -1.019 727 HZ1 LYS 84 HZ1 LYS 84 17.744 -7.412 -0.099 728 HZ2 LYS 84 HZ2 LYS 84 16.898 -7.585 1.356 729 HZ3 LYS 84 HZ3 LYS 84 16.841 -6.119 0.513 730 H ALA 85 H ALA 85 14.555 -4.425 -4.258 731 HA ALA 85 HA ALA 85 17.312 -5.330 -4.729 732 HB1 ALA 85 HB1 ALA 85 17.071 -4.671 -6.857 733 HB2 ALA 85 HB2 ALA 85 15.622 -3.728 -6.505 734 HB3 ALA 85 HB3 ALA 85 17.217 -3.041 -6.200 735 H THR 86 H THR 86 18.623 -4.514 -3.245 736 HA THR 86 HA THR 86 17.796 -2.441 -1.465 737 HB THR 86 HB THR 86 20.582 -3.571 -1.766 738 HG1 THR 86 HG1 THR 86 19.764 -4.938 0.049 739 HG21 THR 86 HG21 THR 86 19.144 -2.190 0.499 740 HG22 THR 86 HG22 THR 86 20.548 -1.602 -0.391 741 HG23 THR 86 HG23 THR 86 20.699 -3.005 0.666 742 H ASP 87 H ASP 87 17.403 -0.770 -3.089 743 HA ASP 87 HA ASP 87 19.871 0.535 -4.021 744 HB2 ASP 87 HB2 ASP 87 18.657 1.494 -5.799 745 HB3 ASP 87 HB3 ASP 87 18.061 -0.161 -5.699 746 H GLU 88 H GLU 88 19.747 2.959 -4.098 747 HA GLU 88 HA GLU 88 18.138 4.066 -1.906 748 HB2 GLU 88 HB2 GLU 88 20.011 5.233 -0.973 749 HB3 GLU 88 HB3 GLU 88 20.446 3.534 -1.103 750 HG2 GLU 88 HG2 GLU 88 21.731 3.994 -3.110 751 HG3 GLU 88 HG3 GLU 88 21.260 5.691 -3.039 752 H ASP 89 H ASP 89 17.349 6.080 -2.253 753 HA ASP 89 HA ASP 89 18.283 7.524 -4.641 754 HB2 ASP 89 HB2 ASP 89 15.424 7.000 -3.810 755 HB3 ASP 89 HB3 ASP 89 15.883 8.195 -5.021 Start of MODEL 14 1 HA MET -4 HA MET -4 28.608 -13.140 -25.253 2 H1 MET -4 H1 MET -4 27.993 -13.706 -27.837 3 HB2 MET -4 HB2 MET -4 30.329 -13.448 -26.925 4 HB3 MET -4 HB3 MET -4 29.861 -11.960 -27.737 5 HG2 MET -4 HG2 MET -4 30.830 -10.622 -26.146 6 HG3 MET -4 HG3 MET -4 30.710 -11.849 -24.887 7 HE1 MET -4 HE1 MET -4 33.005 -10.567 -27.971 8 HE2 MET -4 HE2 MET -4 32.923 -9.801 -26.384 9 HE3 MET -4 HE3 MET -4 34.382 -10.662 -26.872 10 H GLY -3 H GLY -3 27.438 -11.801 -23.999 11 HA2 GLY -3 HA2 GLY -3 27.341 -8.969 -24.812 12 HA3 GLY -3 HA3 GLY -3 25.897 -9.762 -24.199 13 H SER -2 H SER -2 25.485 -9.400 -22.134 14 HA SER -2 HA SER -2 27.430 -9.640 -20.085 15 HG SER -2 HG SER -2 28.016 -6.445 -18.899 16 HB2 SER -2 HB2 SER -2 27.841 -7.304 -21.190 17 HB3 SER -2 HB3 SER -2 26.399 -6.829 -20.293 18 H SER -1 H SER -1 26.510 -9.040 -17.924 19 HA SER -1 HA SER -1 23.626 -9.596 -17.929 20 HG SER -1 HG SER -1 26.280 -10.749 -15.079 21 HB2 SER -1 HB2 SER -1 24.073 -10.230 -15.495 22 HB3 SER -1 HB3 SER -1 24.776 -11.283 -16.721 23 H HIS 0 H HIS 0 22.878 -7.485 -18.198 24 HA HIS 0 HA HIS 0 23.503 -5.610 -16.017 25 HD1 HIS 0 HD1 HIS 0 21.321 -2.581 -18.385 26 HD2 HIS 0 HD2 HIS 0 24.674 -3.230 -16.019 27 HE1 HIS 0 HE1 HIS 0 21.754 -0.395 -17.219 28 HB2 HIS 0 HB2 HIS 0 23.913 -4.946 -18.459 29 HB3 HIS 0 HB3 HIS 0 22.160 -4.882 -18.616 30 H HIS 1 H HIS 1 21.983 -6.942 -14.720 31 HA HIS 1 HA HIS 1 19.979 -7.244 -13.687 32 HD1 HIS 1 HD1 HIS 1 21.188 -3.248 -13.602 33 HD2 HIS 1 HD2 HIS 1 18.910 -5.881 -11.336 34 HE1 HIS 1 HE1 HIS 1 21.744 -2.727 -11.206 35 HB2 HIS 1 HB2 HIS 1 19.623 -4.573 -15.002 36 HB3 HIS 1 HB3 HIS 1 18.271 -5.322 -14.158 37 H HIS 2 H HIS 2 20.074 -8.998 -15.536 38 HA HIS 2 HA HIS 2 17.496 -8.841 -16.948 39 HD1 HIS 2 HD1 HIS 2 20.537 -8.715 -20.416 40 HD2 HIS 2 HD2 HIS 2 17.265 -7.221 -18.337 41 HE1 HIS 2 HE1 HIS 2 19.867 -6.618 -21.633 42 HB2 HIS 2 HB2 HIS 2 20.172 -9.709 -17.981 43 HB3 HIS 2 HB3 HIS 2 18.707 -10.423 -18.647 44 H HIS 3 H HIS 3 16.152 -10.494 -16.592 45 HA HIS 3 HA HIS 3 17.230 -12.865 -15.214 46 HD1 HIS 3 HD1 HIS 3 17.588 -12.377 -12.974 47 HD2 HIS 3 HD2 HIS 3 14.318 -9.814 -13.040 48 HE1 HIS 3 HE1 HIS 3 17.955 -10.769 -11.076 49 HB2 HIS 3 HB2 HIS 3 14.472 -11.636 -15.030 50 HB3 HIS 3 HB3 HIS 3 14.966 -13.127 -14.232 51 H HIS 4 H HIS 4 14.517 -11.880 -17.311 52 HA HIS 4 HA HIS 4 13.400 -12.973 -18.966 53 HD1 HIS 4 HD1 HIS 4 15.560 -11.007 -19.236 54 HD2 HIS 4 HD2 HIS 4 15.282 -13.322 -22.675 55 HE1 HIS 4 HE1 HIS 4 15.738 -9.389 -21.152 56 HB2 HIS 4 HB2 HIS 4 16.216 -13.952 -19.293 57 HB3 HIS 4 HB3 HIS 4 14.937 -14.602 -20.314 58 H HIS 5 H HIS 5 13.384 -14.124 -16.276 59 HA HIS 5 HA HIS 5 13.618 -16.894 -16.236 60 HD1 HIS 5 HD1 HIS 5 9.601 -16.060 -14.819 61 HD2 HIS 5 HD2 HIS 5 12.325 -12.960 -14.338 62 HE1 HIS 5 HE1 HIS 5 8.212 -13.984 -14.526 63 HB2 HIS 5 HB2 HIS 5 12.030 -16.835 -14.349 64 HB3 HIS 5 HB3 HIS 5 13.263 -15.586 -14.207 65 H SER 6 H SER 6 11.140 -14.862 -17.597 66 HA SER 6 HA SER 6 9.242 -17.006 -17.936 67 HG SER 6 HG SER 6 7.493 -16.013 -19.699 68 HB2 SER 6 HB2 SER 6 8.745 -14.472 -17.670 69 HB3 SER 6 HB3 SER 6 9.118 -14.376 -19.391 70 H SER 7 H SER 7 10.089 -18.593 -19.209 71 HA SER 7 HA SER 7 10.549 -17.873 -22.017 72 HG SER 7 HG SER 7 13.017 -17.368 -20.573 73 HB2 SER 7 HB2 SER 7 12.375 -19.459 -20.231 74 HB3 SER 7 HB3 SER 7 12.359 -19.735 -21.972 75 H GLY 8 H GLY 8 10.172 -19.595 -23.522 76 HA2 GLY 8 HA2 GLY 8 9.546 -22.155 -23.303 77 HA3 GLY 8 HA3 GLY 8 8.128 -21.441 -22.550 78 H LEU 9 H LEU 9 6.700 -22.172 -24.113 79 HA LEU 9 HA LEU 9 7.123 -21.239 -26.860 80 HG LEU 9 HG LEU 9 7.045 -23.303 -28.194 81 HB2 LEU 9 HB2 LEU 9 5.508 -23.393 -25.600 82 HB3 LEU 9 HB3 LEU 9 4.914 -22.682 -27.099 83 HD11 LEU 9 HD11 LEU 9 8.447 -25.009 -26.989 84 HD12 LEU 9 HD12 LEU 9 7.606 -24.543 -25.511 85 HD13 LEU 9 HD13 LEU 9 8.574 -23.356 -26.385 86 HD21 LEU 9 HD21 LEU 9 6.619 -25.782 -28.150 87 HD22 LEU 9 HD22 LEU 9 5.213 -24.779 -28.507 88 HD23 LEU 9 HD23 LEU 9 5.413 -25.477 -26.900 89 H VAL 10 H VAL 10 4.430 -21.450 -24.526 90 HA VAL 10 HA VAL 10 3.350 -18.971 -25.700 91 HB VAL 10 HB VAL 10 1.837 -20.846 -26.026 92 HG11 VAL 10 HG11 VAL 10 1.513 -22.452 -24.521 93 HG12 VAL 10 HG12 VAL 10 2.753 -21.680 -23.530 94 HG13 VAL 10 HG13 VAL 10 1.051 -21.283 -23.284 95 HG21 VAL 10 HG21 VAL 10 0.917 -18.878 -23.936 96 HG22 VAL 10 HG22 VAL 10 0.799 -18.711 -25.688 97 HG23 VAL 10 HG23 VAL 10 -0.161 -19.931 -24.851 98 HA PRO 11 HA PRO 11 4.178 -17.064 -21.796 99 HB2 PRO 11 HB2 PRO 11 2.709 -14.815 -22.189 100 HB3 PRO 11 HB3 PRO 11 4.273 -15.089 -22.966 101 HG2 PRO 11 HG2 PRO 11 1.517 -15.460 -24.073 102 HG3 PRO 11 HG3 PRO 11 2.944 -14.741 -24.842 103 HD2 PRO 11 HD2 PRO 11 2.142 -17.277 -25.346 104 HD3 PRO 11 HD3 PRO 11 3.850 -16.793 -25.372 105 H ARG 12 H ARG 12 3.242 -17.052 -19.819 106 HA ARG 12 HA ARG 12 0.337 -17.536 -19.696 107 HE ARG 12 HE ARG 12 -0.214 -20.673 -17.588 108 HB2 ARG 12 HB2 ARG 12 2.489 -18.519 -17.812 109 HB3 ARG 12 HB3 ARG 12 0.763 -18.789 -17.613 110 HG2 ARG 12 HG2 ARG 12 0.794 -19.978 -19.822 111 HG3 ARG 12 HG3 ARG 12 2.555 -19.872 -19.769 112 HD2 ARG 12 HD2 ARG 12 1.948 -22.011 -18.921 113 HD3 ARG 12 HD3 ARG 12 2.467 -21.031 -17.551 114 HH11 ARG 12 HH11 ARG 12 1.827 -23.494 -17.598 115 HH12 ARG 12 HH12 ARG 12 0.683 -24.485 -16.755 116 HH21 ARG 12 HH21 ARG 12 -1.728 -21.968 -16.477 117 HH22 ARG 12 HH22 ARG 12 -1.339 -23.616 -16.119 118 H GLY 13 H GLY 13 -0.512 -17.002 -17.386 119 HA2 GLY 13 HA2 GLY 13 -1.032 -15.352 -15.878 120 HA3 GLY 13 HA3 GLY 13 0.699 -15.060 -15.785 121 H SER 14 H SER 14 -2.004 -14.464 -18.036 122 HA SER 14 HA SER 14 -0.806 -11.844 -18.632 123 HG SER 14 HG SER 14 -3.116 -14.008 -21.184 124 HB2 SER 14 HB2 SER 14 -2.435 -11.937 -20.620 125 HB3 SER 14 HB3 SER 14 -1.050 -13.028 -20.659 126 H HIS 15 H HIS 15 -2.011 -9.972 -18.489 127 HA HIS 15 HA HIS 15 -4.297 -10.111 -16.705 128 HD1 HIS 15 HD1 HIS 15 -1.736 -6.487 -15.488 129 HD2 HIS 15 HD2 HIS 15 -3.375 -10.242 -14.797 130 HE1 HIS 15 HE1 HIS 15 -1.062 -7.094 -13.142 131 HB2 HIS 15 HB2 HIS 15 -2.485 -7.938 -17.674 132 HB3 HIS 15 HB3 HIS 15 -4.067 -7.504 -17.032 133 H MET 16 H MET 16 -3.585 -8.546 -19.833 134 HA MET 16 HA MET 16 -6.471 -8.577 -20.404 135 HB2 MET 16 HB2 MET 16 -4.245 -6.756 -21.246 136 HB3 MET 16 HB3 MET 16 -5.678 -6.904 -22.254 137 HG2 MET 16 HG2 MET 16 -6.990 -6.391 -20.109 138 HG3 MET 16 HG3 MET 16 -5.443 -5.842 -19.468 139 HE1 MET 16 HE1 MET 16 -8.267 -3.638 -22.190 140 HE2 MET 16 HE2 MET 16 -8.269 -5.387 -21.965 141 HE3 MET 16 HE3 MET 16 -8.555 -4.321 -20.589 142 H SER 17 H SER 17 -6.773 -8.526 -22.960 143 HA SER 17 HA SER 17 -5.020 -10.509 -24.214 144 HG SER 17 HG SER 17 -6.674 -12.803 -23.062 145 HB2 SER 17 HB2 SER 17 -8.035 -10.772 -24.200 146 HB3 SER 17 HB3 SER 17 -6.880 -11.886 -24.930 147 H VAL 18 H VAL 18 -6.269 -10.913 -26.561 148 HA VAL 18 HA VAL 18 -5.771 -8.507 -27.972 149 HB VAL 18 HB VAL 18 -5.437 -10.758 -28.952 150 HG11 VAL 18 HG11 VAL 18 -8.235 -11.081 -29.739 151 HG12 VAL 18 HG12 VAL 18 -7.065 -12.280 -29.187 152 HG13 VAL 18 HG13 VAL 18 -7.946 -11.301 -28.014 153 HG21 VAL 18 HG21 VAL 18 -6.039 -10.156 -31.150 154 HG22 VAL 18 HG22 VAL 18 -7.425 -9.216 -30.597 155 HG23 VAL 18 HG23 VAL 18 -5.788 -8.632 -30.299 156 H ASP 19 H ASP 19 -8.487 -9.601 -26.297 157 HA ASP 19 HA ASP 19 -10.620 -8.674 -27.839 158 HB2 ASP 19 HB2 ASP 19 -10.633 -10.019 -25.630 159 HB3 ASP 19 HB3 ASP 19 -10.583 -8.445 -24.840 160 H ASP 20 H ASP 20 -8.243 -6.952 -26.013 161 HA ASP 20 HA ASP 20 -9.770 -4.458 -26.208 162 HB2 ASP 20 HB2 ASP 20 -8.504 -3.621 -24.480 163 HB3 ASP 20 HB3 ASP 20 -8.444 -5.339 -24.094 164 H ILE 21 H ILE 21 -8.192 -6.020 -28.361 165 HA ILE 21 HA ILE 21 -6.584 -3.729 -29.289 166 HB ILE 21 HB ILE 21 -6.178 -6.652 -29.936 167 HG12 ILE 21 HG12 ILE 21 -4.525 -4.730 -28.284 168 HG13 ILE 21 HG13 ILE 21 -5.470 -6.079 -27.662 169 HG21 ILE 21 HG21 ILE 21 -5.630 -5.231 -31.828 170 HG22 ILE 21 HG22 ILE 21 -4.618 -4.220 -30.797 171 HG23 ILE 21 HG23 ILE 21 -4.161 -5.894 -31.111 172 HD11 ILE 21 HD11 ILE 21 -3.142 -6.670 -27.733 173 HD12 ILE 21 HD12 ILE 21 -4.028 -7.626 -28.921 174 HD13 ILE 21 HD13 ILE 21 -3.053 -6.252 -29.444 175 H ILE 22 H ILE 22 -6.834 -3.027 -31.381 176 HA ILE 22 HA ILE 22 -8.801 -4.413 -33.062 177 HB ILE 22 HB ILE 22 -9.927 -2.360 -33.635 178 HG12 ILE 22 HG12 ILE 22 -8.046 -1.020 -31.679 179 HG13 ILE 22 HG13 ILE 22 -8.016 -0.832 -33.429 180 HG21 ILE 22 HG21 ILE 22 -10.795 -3.564 -31.723 181 HG22 ILE 22 HG22 ILE 22 -9.693 -2.703 -30.650 182 HG23 ILE 22 HG23 ILE 22 -10.983 -1.829 -31.475 183 HD11 ILE 22 HD11 ILE 22 -10.250 0.174 -33.339 184 HD12 ILE 22 HD12 ILE 22 -10.231 0.025 -31.582 185 HD13 ILE 22 HD13 ILE 22 -9.067 1.075 -32.391 186 H ILE 23 H ILE 23 -8.901 -2.859 -35.224 187 HA ILE 23 HA ILE 23 -6.236 -3.134 -36.323 188 HB ILE 23 HB ILE 23 -8.692 -2.136 -37.758 189 HG12 ILE 23 HG12 ILE 23 -9.230 -4.286 -36.748 190 HG13 ILE 23 HG13 ILE 23 -9.025 -4.479 -38.485 191 HG21 ILE 23 HG21 ILE 23 -6.339 -1.892 -38.732 192 HG22 ILE 23 HG22 ILE 23 -6.371 -3.645 -38.911 193 HG23 ILE 23 HG23 ILE 23 -7.567 -2.652 -39.743 194 HD11 ILE 23 HD11 ILE 23 -8.012 -6.294 -37.163 195 HD12 ILE 23 HD12 ILE 23 -6.846 -5.434 -38.169 196 HD13 ILE 23 HD13 ILE 23 -6.919 -5.117 -36.436 197 H LYS 24 H LYS 24 -4.896 -1.524 -36.952 198 HA LYS 24 HA LYS 24 -3.985 0.553 -37.133 199 HB2 LYS 24 HB2 LYS 24 -6.804 1.619 -37.270 200 HB3 LYS 24 HB3 LYS 24 -5.344 2.355 -37.917 201 HG2 LYS 24 HG2 LYS 24 -5.210 0.200 -39.360 202 HG3 LYS 24 HG3 LYS 24 -6.923 0.048 -38.962 203 HD2 LYS 24 HD2 LYS 24 -7.037 1.264 -40.909 204 HD3 LYS 24 HD3 LYS 24 -7.001 2.561 -39.711 205 HE2 LYS 24 HE2 LYS 24 -4.432 1.540 -40.830 206 HE3 LYS 24 HE3 LYS 24 -5.425 2.617 -41.811 207 HZ1 LYS 24 HZ1 LYS 24 -5.331 3.785 -39.329 208 HZ2 LYS 24 HZ2 LYS 24 -4.483 4.277 -40.708 209 HZ3 LYS 24 HZ3 LYS 24 -3.753 3.235 -39.593 210 H CYS 25 H CYS 25 -4.589 -0.541 -34.537 211 HA CYS 25 HA CYS 25 -5.369 1.769 -32.936 212 HG CYS 25 HG CYS 25 -6.878 -0.387 -30.056 213 HB2 CYS 25 HB2 CYS 25 -6.067 -0.728 -32.546 214 HB3 CYS 25 HB3 CYS 25 -4.493 -0.849 -31.769 215 H GLN 26 H GLN 26 -4.042 2.467 -31.130 216 HA GLN 26 HA GLN 26 -1.230 2.542 -31.882 217 HB2 GLN 26 HB2 GLN 26 -1.055 4.336 -30.203 218 HB3 GLN 26 HB3 GLN 26 -2.313 4.663 -31.387 219 HG2 GLN 26 HG2 GLN 26 -3.714 3.380 -29.440 220 HG3 GLN 26 HG3 GLN 26 -2.503 4.252 -28.500 221 HE21 GLN 26 HE21 GLN 26 -5.472 4.444 -30.015 222 HE22 GLN 26 HE22 GLN 26 -5.665 6.160 -30.004 223 H CYS 27 H CYS 27 0.208 1.228 -30.996 224 HA CYS 27 HA CYS 27 -0.283 0.232 -28.269 225 HG CYS 27 HG CYS 27 -1.098 -3.360 -29.409 226 HB2 CYS 27 HB2 CYS 27 0.654 -1.266 -30.706 227 HB3 CYS 27 HB3 CYS 27 1.007 -1.847 -29.083 228 H TRP 28 H TRP 28 1.255 0.788 -26.887 229 HA TRP 28 HA TRP 28 3.780 1.828 -27.891 230 HD1 TRP 28 HD1 TRP 28 0.895 3.907 -26.537 231 HE1 TRP 28 HE1 TRP 28 1.492 6.341 -27.124 232 HE3 TRP 28 HE3 TRP 28 5.972 3.651 -25.993 233 HZ2 TRP 28 HZ2 TRP 28 3.809 7.940 -27.331 234 HZ3 TRP 28 HZ3 TRP 28 7.306 5.677 -26.405 235 HH2 TRP 28 HH2 TRP 28 6.244 7.776 -27.061 236 HB2 TRP 28 HB2 TRP 28 2.292 1.973 -25.313 237 HB3 TRP 28 HB3 TRP 28 4.044 2.150 -25.260 238 H VAL 29 H VAL 29 5.700 0.828 -27.742 239 HA VAL 29 HA VAL 29 5.734 -1.860 -26.571 240 HB VAL 29 HB VAL 29 7.686 -0.552 -28.471 241 HG11 VAL 29 HG11 VAL 29 9.011 -2.096 -27.405 242 HG12 VAL 29 HG12 VAL 29 7.664 -3.186 -27.073 243 HG13 VAL 29 HG13 VAL 29 8.334 -3.081 -28.701 244 HG21 VAL 29 HG21 VAL 29 6.215 -1.096 -30.049 245 HG22 VAL 29 HG22 VAL 29 6.502 -2.789 -29.651 246 HG23 VAL 29 HG23 VAL 29 5.179 -1.914 -28.880 247 H GLN 30 H GLN 30 6.440 -1.961 -24.546 248 HA GLN 30 HA GLN 30 8.227 0.043 -23.475 249 HB2 GLN 30 HB2 GLN 30 6.233 -1.191 -22.298 250 HB3 GLN 30 HB3 GLN 30 7.441 -2.429 -21.982 251 HG2 GLN 30 HG2 GLN 30 8.775 -0.931 -20.721 252 HG3 GLN 30 HG3 GLN 30 7.814 0.455 -21.233 253 HE21 GLN 30 HE21 GLN 30 7.387 -2.686 -19.637 254 HE22 GLN 30 HE22 GLN 30 6.278 -2.120 -18.440 255 H LYS 31 H LYS 31 10.269 -0.147 -24.214 256 HA LYS 31 HA LYS 31 11.536 -2.707 -24.568 257 HB2 LYS 31 HB2 LYS 31 11.915 -0.293 -25.725 258 HB3 LYS 31 HB3 LYS 31 13.194 -0.256 -24.519 259 HG2 LYS 31 HG2 LYS 31 13.129 -2.783 -25.921 260 HG3 LYS 31 HG3 LYS 31 13.307 -1.420 -27.028 261 HD2 LYS 31 HD2 LYS 31 15.381 -0.934 -26.293 262 HD3 LYS 31 HD3 LYS 31 14.972 -1.278 -24.610 263 HE2 LYS 31 HE2 LYS 31 16.274 -3.084 -24.889 264 HE3 LYS 31 HE3 LYS 31 14.868 -3.763 -25.708 265 HZ1 LYS 31 HZ1 LYS 31 16.431 -4.083 -27.302 266 HZ2 LYS 31 HZ2 LYS 31 17.368 -2.754 -26.834 267 HZ3 LYS 31 HZ3 LYS 31 15.959 -2.518 -27.739 268 H ASN 32 H ASN 32 13.702 -3.138 -23.572 269 HA ASN 32 HA ASN 32 13.536 -3.424 -20.838 270 HB2 ASN 32 HB2 ASN 32 15.916 -3.346 -22.685 271 HB3 ASN 32 HB3 ASN 32 16.094 -3.655 -20.961 272 HD21 ASN 32 HD21 ASN 32 15.917 -5.673 -20.287 273 HD22 ASN 32 HD22 ASN 32 15.264 -6.987 -21.199 274 H ASP 33 H ASP 33 15.655 -1.081 -22.502 275 HA ASP 33 HA ASP 33 15.330 0.705 -20.181 276 HB2 ASP 33 HB2 ASP 33 17.828 0.423 -21.863 277 HB3 ASP 33 HB3 ASP 33 17.629 1.428 -20.429 278 H GLU 34 H GLU 34 14.035 0.473 -22.923 279 HA GLU 34 HA GLU 34 14.308 3.309 -23.595 280 HB2 GLU 34 HB2 GLU 34 14.490 1.032 -25.570 281 HB3 GLU 34 HB3 GLU 34 14.214 2.705 -26.035 282 HG2 GLU 34 HG2 GLU 34 16.346 3.369 -25.231 283 HG3 GLU 34 HG3 GLU 34 16.607 1.808 -24.454 284 H GLU 35 H GLU 35 12.554 3.797 -25.402 285 HA GLU 35 HA GLU 35 10.095 2.307 -24.851 286 HB2 GLU 35 HB2 GLU 35 10.603 5.192 -24.249 287 HB3 GLU 35 HB3 GLU 35 8.998 4.701 -24.771 288 HG2 GLU 35 HG2 GLU 35 8.663 3.364 -22.892 289 HG3 GLU 35 HG3 GLU 35 10.382 3.318 -22.506 290 H ARG 36 H ARG 36 8.962 1.935 -26.643 291 HA ARG 36 HA ARG 36 9.368 3.707 -28.959 292 HE ARG 36 HE ARG 36 11.049 4.854 -29.985 293 HB2 ARG 36 HB2 ARG 36 10.441 1.245 -28.881 294 HB3 ARG 36 HB3 ARG 36 8.838 0.833 -29.476 295 HG2 ARG 36 HG2 ARG 36 10.218 1.130 -31.369 296 HG3 ARG 36 HG3 ARG 36 9.176 2.551 -31.275 297 HD2 ARG 36 HD2 ARG 36 11.789 2.705 -29.893 298 HD3 ARG 36 HD3 ARG 36 11.820 2.700 -31.656 299 HH11 ARG 36 HH11 ARG 36 10.266 3.294 -32.997 300 HH12 ARG 36 HH12 ARG 36 9.626 4.730 -33.725 301 HH21 ARG 36 HH21 ARG 36 10.210 6.752 -30.933 302 HH22 ARG 36 HH22 ARG 36 9.596 6.697 -32.550 303 H LEU 37 H LEU 37 7.618 3.523 -30.591 304 HA LEU 37 HA LEU 37 5.059 2.609 -29.500 305 HG LEU 37 HG LEU 37 3.672 4.814 -31.585 306 HB2 LEU 37 HB2 LEU 37 4.972 4.857 -28.865 307 HB3 LEU 37 HB3 LEU 37 5.742 5.399 -30.355 308 HD11 LEU 37 HD11 LEU 37 1.985 4.744 -29.221 309 HD12 LEU 37 HD12 LEU 37 3.056 3.348 -29.337 310 HD13 LEU 37 HD13 LEU 37 1.959 3.730 -30.663 311 HD21 LEU 37 HD21 LEU 37 4.041 6.946 -29.669 312 HD22 LEU 37 HD22 LEU 37 2.332 6.590 -29.921 313 HD23 LEU 37 HD23 LEU 37 3.359 6.996 -31.295 314 H ALA 38 H ALA 38 3.907 1.537 -30.967 315 HA ALA 38 HA ALA 38 4.240 2.170 -33.808 316 HB1 ALA 38 HB1 ALA 38 5.323 -0.141 -32.554 317 HB2 ALA 38 HB2 ALA 38 4.013 -0.647 -33.621 318 HB3 ALA 38 HB3 ALA 38 5.352 0.306 -34.260 319 H GLU 39 H GLU 39 2.519 1.312 -35.161 320 HA GLU 39 HA GLU 39 -0.004 1.162 -33.676 321 HB2 GLU 39 HB2 GLU 39 0.515 2.851 -35.602 322 HB3 GLU 39 HB3 GLU 39 0.172 1.482 -36.651 323 HG2 GLU 39 HG2 GLU 39 -2.050 1.291 -35.776 324 HG3 GLU 39 HG3 GLU 39 -1.722 2.523 -34.559 325 H ILE 40 H ILE 40 -1.716 -0.253 -34.619 326 HA ILE 40 HA ILE 40 -0.551 -2.864 -35.262 327 HB ILE 40 HB ILE 40 -3.336 -2.175 -34.316 328 HG12 ILE 40 HG12 ILE 40 -1.677 -1.804 -32.575 329 HG13 ILE 40 HG13 ILE 40 -2.609 -3.251 -32.206 330 HG21 ILE 40 HG21 ILE 40 -3.519 -4.151 -35.583 331 HG22 ILE 40 HG22 ILE 40 -2.005 -4.793 -34.948 332 HG23 ILE 40 HG23 ILE 40 -3.421 -4.679 -33.903 333 HD11 ILE 40 HD11 ILE 40 -0.469 -3.923 -31.730 334 HD12 ILE 40 HD12 ILE 40 -0.653 -4.481 -33.393 335 HD13 ILE 40 HD13 ILE 40 0.234 -2.994 -33.054 336 H LEU 41 H LEU 41 -0.902 -3.876 -37.149 337 HA LEU 41 HA LEU 41 -2.588 -2.501 -39.124 338 HG LEU 41 HG LEU 41 0.698 -2.566 -40.830 339 HB2 LEU 41 HB2 LEU 41 -0.122 -4.156 -39.299 340 HB3 LEU 41 HB3 LEU 41 -1.239 -4.169 -40.662 341 HD11 LEU 41 HD11 LEU 41 -1.025 -0.593 -41.348 342 HD12 LEU 41 HD12 LEU 41 -2.165 -1.931 -41.205 343 HD13 LEU 41 HD13 LEU 41 -0.853 -2.012 -42.381 344 HD21 LEU 41 HD21 LEU 41 -0.872 -1.096 -38.715 345 HD22 LEU 41 HD22 LEU 41 0.499 -0.450 -39.617 346 HD23 LEU 41 HD23 LEU 41 0.729 -1.809 -38.516 347 H SER 42 H SER 42 -1.517 -5.869 -38.655 348 HA SER 42 HA SER 42 -4.326 -6.716 -38.830 349 HG SER 42 HG SER 42 -3.283 -7.239 -42.134 350 HB2 SER 42 HB2 SER 42 -1.999 -7.749 -40.447 351 HB3 SER 42 HB3 SER 42 -3.458 -8.706 -40.197 352 H ILE 43 H ILE 43 -4.491 -9.136 -38.260 353 HA ILE 43 HA ILE 43 -2.539 -9.878 -36.198 354 HB ILE 43 HB ILE 43 -5.515 -10.075 -35.750 355 HG12 ILE 43 HG12 ILE 43 -3.559 -8.043 -34.652 356 HG13 ILE 43 HG13 ILE 43 -4.827 -7.715 -35.827 357 HG21 ILE 43 HG21 ILE 43 -3.391 -11.386 -34.547 358 HG22 ILE 43 HG22 ILE 43 -3.789 -10.085 -33.426 359 HG23 ILE 43 HG23 ILE 43 -5.030 -11.239 -33.915 360 HD11 ILE 43 HD11 ILE 43 -6.139 -7.199 -34.125 361 HD12 ILE 43 HD12 ILE 43 -6.131 -8.905 -33.680 362 HD13 ILE 43 HD13 ILE 43 -4.961 -7.799 -32.959 363 H ASN 44 H ASN 44 -2.062 -12.004 -36.124 364 HA ASN 44 HA ASN 44 -3.431 -13.738 -38.050 365 HB2 ASN 44 HB2 ASN 44 -0.730 -13.326 -37.501 366 HB3 ASN 44 HB3 ASN 44 -1.085 -14.889 -36.772 367 HD21 ASN 44 HD21 ASN 44 0.546 -14.218 -39.099 368 HD22 ASN 44 HD22 ASN 44 -0.113 -15.120 -40.417 369 H THR 45 H THR 45 -4.518 -15.536 -37.464 370 HA THR 45 HA THR 45 -4.505 -16.274 -34.611 371 HB THR 45 HB THR 45 -6.890 -16.779 -34.736 372 HG1 THR 45 HG1 THR 45 -6.884 -15.590 -37.320 373 HG21 THR 45 HG21 THR 45 -6.864 -14.043 -35.857 374 HG22 THR 45 HG22 THR 45 -5.824 -14.326 -34.462 375 HG23 THR 45 HG23 THR 45 -7.555 -14.644 -34.350 376 H ARG 46 H ARG 46 -3.103 -17.371 -37.017 377 HA ARG 46 HA ARG 46 -4.339 -19.877 -37.629 378 HE ARG 46 HE ARG 46 -1.509 -19.052 -40.791 379 HB2 ARG 46 HB2 ARG 46 -2.819 -18.788 -39.209 380 HB3 ARG 46 HB3 ARG 46 -1.499 -18.933 -38.057 381 HG2 ARG 46 HG2 ARG 46 -1.964 -21.463 -38.175 382 HG3 ARG 46 HG3 ARG 46 -2.850 -21.072 -39.650 383 HD2 ARG 46 HD2 ARG 46 0.060 -20.567 -39.062 384 HD3 ARG 46 HD3 ARG 46 -0.618 -21.663 -40.265 385 HH11 ARG 46 HH11 ARG 46 1.393 -20.971 -40.894 386 HH12 ARG 46 HH12 ARG 46 2.109 -20.056 -42.180 387 HH21 ARG 46 HH21 ARG 46 -0.578 -17.840 -42.484 388 HH22 ARG 46 HH22 ARG 46 0.987 -18.275 -43.083 389 H LYS 47 H LYS 47 -1.593 -18.894 -35.598 390 HA LYS 47 HA LYS 47 -1.963 -21.354 -34.040 391 HB2 LYS 47 HB2 LYS 47 0.687 -20.289 -35.032 392 HB3 LYS 47 HB3 LYS 47 0.507 -21.586 -33.858 393 HG2 LYS 47 HG2 LYS 47 -0.459 -23.030 -35.462 394 HG3 LYS 47 HG3 LYS 47 -0.664 -21.716 -36.623 395 HD2 LYS 47 HD2 LYS 47 1.759 -21.507 -36.828 396 HD3 LYS 47 HD3 LYS 47 1.980 -22.792 -35.638 397 HE2 LYS 47 HE2 LYS 47 1.391 -24.435 -37.101 398 HE3 LYS 47 HE3 LYS 47 0.283 -23.393 -37.994 399 HZ1 LYS 47 HZ1 LYS 47 2.933 -22.462 -38.290 400 HZ2 LYS 47 HZ2 LYS 47 1.854 -22.992 -39.481 401 HZ3 LYS 47 HZ3 LYS 47 2.865 -24.102 -38.700 402 H ALA 48 H ALA 48 -1.202 -21.230 -31.859 403 HA ALA 48 HA ALA 48 -1.191 -18.476 -30.844 404 HB1 ALA 48 HB1 ALA 48 -2.885 -19.532 -29.723 405 HB2 ALA 48 HB2 ALA 48 -2.061 -21.092 -29.719 406 HB3 ALA 48 HB3 ALA 48 -1.545 -19.818 -28.613 407 HA PRO 49 HA PRO 49 -0.842 -17.623 -28.728 408 HB2 PRO 49 HB2 PRO 49 0.811 -15.498 -28.377 409 HB3 PRO 49 HB3 PRO 49 0.637 -16.787 -27.181 410 HG2 PRO 49 HG2 PRO 49 2.772 -16.391 -29.241 411 HG3 PRO 49 HG3 PRO 49 2.932 -16.878 -27.543 412 HD2 PRO 49 HD2 PRO 49 3.031 -18.655 -29.585 413 HD3 PRO 49 HD3 PRO 49 2.372 -19.069 -27.989 414 HA PRO 50 HA PRO 50 -1.704 -15.342 -32.387 415 HB2 PRO 50 HB2 PRO 50 -2.773 -13.047 -31.407 416 HB3 PRO 50 HB3 PRO 50 -3.620 -14.598 -31.360 417 HG2 PRO 50 HG2 PRO 50 -2.080 -13.214 -29.198 418 HG3 PRO 50 HG3 PRO 50 -3.636 -14.059 -29.098 419 HD2 PRO 50 HD2 PRO 50 -1.308 -15.196 -28.310 420 HD3 PRO 50 HD3 PRO 50 -2.645 -16.137 -29.003 421 H LYS 51 H LYS 51 -0.913 -13.757 -33.757 422 HA LYS 51 HA LYS 51 1.382 -12.234 -32.722 423 HB2 LYS 51 HB2 LYS 51 0.856 -12.874 -35.619 424 HB3 LYS 51 HB3 LYS 51 2.363 -12.347 -34.880 425 HG2 LYS 51 HG2 LYS 51 1.037 -14.994 -34.336 426 HG3 LYS 51 HG3 LYS 51 2.336 -14.741 -35.505 427 HD2 LYS 51 HD2 LYS 51 3.711 -13.820 -33.602 428 HD3 LYS 51 HD3 LYS 51 2.445 -14.394 -32.514 429 HE2 LYS 51 HE2 LYS 51 2.851 -16.634 -33.914 430 HE3 LYS 51 HE3 LYS 51 4.452 -15.913 -34.075 431 HZ1 LYS 51 HZ1 LYS 51 4.923 -16.314 -31.943 432 HZ2 LYS 51 HZ2 LYS 51 3.626 -17.401 -31.984 433 HZ3 LYS 51 HZ3 LYS 51 3.396 -15.832 -31.396 434 H PHE 52 H PHE 52 1.816 -10.156 -33.899 435 HA PHE 52 HA PHE 52 -0.554 -8.842 -34.967 436 HD1 PHE 52 HD1 PHE 52 0.985 -9.570 -31.221 437 HD2 PHE 52 HD2 PHE 52 -2.652 -7.993 -32.769 438 HE1 PHE 52 HE1 PHE 52 -0.281 -10.855 -29.547 439 HE2 PHE 52 HE2 PHE 52 -3.924 -9.274 -31.098 440 HZ PHE 52 HZ PHE 52 -2.738 -10.707 -29.483 441 HB2 PHE 52 HB2 PHE 52 0.949 -7.590 -32.669 442 HB3 PHE 52 HB3 PHE 52 -0.559 -7.046 -33.399 443 H TYR 53 H TYR 53 -0.022 -7.601 -36.639 444 HA TYR 53 HA TYR 53 2.760 -7.179 -37.276 445 HD1 TYR 53 HD1 TYR 53 3.833 -7.545 -38.923 446 HD2 TYR 53 HD2 TYR 53 0.907 -5.152 -40.876 447 HE1 TYR 53 HE1 TYR 53 5.489 -6.926 -40.633 448 HE2 TYR 53 HE2 TYR 53 2.554 -4.527 -42.592 449 HH TYR 53 HH TYR 53 5.862 -5.823 -42.521 450 HB2 TYR 53 HB2 TYR 53 0.905 -7.778 -38.935 451 HB3 TYR 53 HB3 TYR 53 0.400 -6.097 -38.810 452 H VAL 54 H VAL 54 3.803 -5.591 -36.262 453 HA VAL 54 HA VAL 54 2.410 -3.108 -35.609 454 HB VAL 54 HB VAL 54 4.475 -2.530 -34.362 455 HG11 VAL 54 HG11 VAL 54 3.623 -5.273 -33.512 456 HG12 VAL 54 HG12 VAL 54 3.981 -3.858 -32.520 457 HG13 VAL 54 HG13 VAL 54 2.493 -3.921 -33.465 458 HG21 VAL 54 HG21 VAL 54 6.206 -4.212 -34.037 459 HG22 VAL 54 HG22 VAL 54 5.371 -5.303 -35.143 460 HG23 VAL 54 HG23 VAL 54 6.060 -3.795 -35.745 461 H HIS 55 H HIS 55 2.833 -1.172 -36.533 462 HA HIS 55 HA HIS 55 4.949 -1.077 -38.581 463 HD1 HIS 55 HD1 HIS 55 1.760 1.738 -40.641 464 HD2 HIS 55 HD2 HIS 55 5.645 0.266 -40.577 465 HE1 HIS 55 HE1 HIS 55 3.023 3.099 -42.337 466 HB2 HIS 55 HB2 HIS 55 2.779 -1.205 -39.681 467 HB3 HIS 55 HB3 HIS 55 2.185 0.146 -38.720 468 H TYR 56 H TYR 56 6.204 0.730 -38.653 469 HA TYR 56 HA TYR 56 5.848 2.629 -36.450 470 HD1 TYR 56 HD1 TYR 56 7.823 -0.383 -37.669 471 HD2 TYR 56 HD2 TYR 56 8.675 2.513 -34.670 472 HE1 TYR 56 HE1 TYR 56 8.459 -2.184 -36.120 473 HE2 TYR 56 HE2 TYR 56 9.315 0.720 -33.113 474 HH TYR 56 HH TYR 56 8.703 -2.600 -33.781 475 HB2 TYR 56 HB2 TYR 56 8.260 2.082 -38.191 476 HB3 TYR 56 HB3 TYR 56 8.212 3.224 -36.852 477 H VAL 57 H VAL 57 5.375 4.713 -36.781 478 HA VAL 57 HA VAL 57 4.805 5.593 -39.480 479 HB VAL 57 HB VAL 57 3.966 7.662 -38.367 480 HG11 VAL 57 HG11 VAL 57 2.653 5.457 -36.895 481 HG12 VAL 57 HG12 VAL 57 1.957 6.704 -37.932 482 HG13 VAL 57 HG13 VAL 57 2.748 5.299 -38.649 483 HG21 VAL 57 HG21 VAL 57 3.798 6.678 -35.701 484 HG22 VAL 57 HG22 VAL 57 5.489 6.661 -36.201 485 HG23 VAL 57 HG23 VAL 57 4.559 8.157 -36.285 486 H ASN 58 H ASN 58 7.412 5.232 -39.513 487 HA ASN 58 HA ASN 58 8.615 7.889 -39.103 488 HB2 ASN 58 HB2 ASN 58 9.540 5.661 -38.000 489 HB3 ASN 58 HB3 ASN 58 10.302 5.471 -39.577 490 HD21 ASN 58 HD21 ASN 58 9.726 8.114 -37.273 491 HD22 ASN 58 HD22 ASN 58 11.345 8.717 -37.305 492 H TYR 59 H TYR 59 10.614 8.108 -40.691 493 HA TYR 59 HA TYR 59 9.566 8.466 -43.259 494 HD1 TYR 59 HD1 TYR 59 13.262 7.149 -44.338 495 HD2 TYR 59 HD2 TYR 59 11.135 10.822 -44.627 496 HE1 TYR 59 HE1 TYR 59 14.064 7.424 -46.646 497 HE2 TYR 59 HE2 TYR 59 11.930 11.107 -46.937 498 HH TYR 59 HH TYR 59 14.024 10.237 -48.282 499 HB2 TYR 59 HB2 TYR 59 11.451 9.774 -42.497 500 HB3 TYR 59 HB3 TYR 59 12.440 8.328 -42.329 501 H ASN 60 H ASN 60 11.078 5.725 -41.777 502 HA ASN 60 HA ASN 60 11.373 4.371 -44.356 503 HB2 ASN 60 HB2 ASN 60 12.196 3.422 -41.603 504 HB3 ASN 60 HB3 ASN 60 12.623 2.675 -43.140 505 HD21 ASN 60 HD21 ASN 60 13.760 4.555 -40.744 506 HD22 ASN 60 HD22 ASN 60 14.979 5.432 -41.597 507 H LYS 61 H LYS 61 9.923 2.953 -45.062 508 HA LYS 61 HA LYS 61 7.665 2.268 -43.373 509 HB2 LYS 61 HB2 LYS 61 8.122 1.383 -46.218 510 HB3 LYS 61 HB3 LYS 61 6.595 1.506 -45.355 511 HG2 LYS 61 HG2 LYS 61 7.127 4.022 -45.215 512 HG3 LYS 61 HG3 LYS 61 8.294 3.687 -46.496 513 HD2 LYS 61 HD2 LYS 61 6.385 4.290 -47.675 514 HD3 LYS 61 HD3 LYS 61 6.308 2.527 -47.679 515 HE2 LYS 61 HE2 LYS 61 4.628 2.484 -46.051 516 HE3 LYS 61 HE3 LYS 61 4.944 4.145 -45.553 517 HZ1 LYS 61 HZ1 LYS 61 3.254 3.155 -47.655 518 HZ2 LYS 61 HZ2 LYS 61 4.278 4.402 -48.163 519 HZ3 LYS 61 HZ3 LYS 61 3.228 4.648 -46.860 520 H ARG 62 H ARG 62 10.562 0.809 -44.563 521 HA ARG 62 HA ARG 62 9.895 -1.897 -44.468 522 HE ARG 62 HE ARG 62 12.737 0.769 -45.821 523 HB2 ARG 62 HB2 ARG 62 12.275 -2.327 -44.246 524 HB3 ARG 62 HB3 ARG 62 12.007 -1.023 -45.396 525 HG2 ARG 62 HG2 ARG 62 12.366 0.471 -43.250 526 HG3 ARG 62 HG3 ARG 62 13.248 -0.956 -42.702 527 HD2 ARG 62 HD2 ARG 62 14.736 0.631 -43.807 528 HD3 ARG 62 HD3 ARG 62 14.632 -0.880 -44.709 529 HH11 ARG 62 HH11 ARG 62 16.180 0.877 -45.318 530 HH12 ARG 62 HH12 ARG 62 16.486 1.848 -46.720 531 HH21 ARG 62 HH21 ARG 62 13.127 2.047 -47.670 532 HH22 ARG 62 HH22 ARG 62 14.748 2.513 -48.056 533 H LEU 63 H LEU 63 10.353 0.384 -41.926 534 HA LEU 63 HA LEU 63 11.132 -1.207 -39.799 535 HG LEU 63 HG LEU 63 11.262 1.795 -40.750 536 HB2 LEU 63 HB2 LEU 63 9.133 1.047 -39.727 537 HB3 LEU 63 HB3 LEU 63 10.045 0.421 -38.356 538 HD11 LEU 63 HD11 LEU 63 11.392 3.761 -39.517 539 HD12 LEU 63 HD12 LEU 63 11.055 2.943 -37.992 540 HD13 LEU 63 HD13 LEU 63 9.766 3.169 -39.174 541 HD21 LEU 63 HD21 LEU 63 13.157 1.974 -38.959 542 HD22 LEU 63 HD22 LEU 63 12.968 0.501 -39.910 543 HD23 LEU 63 HD23 LEU 63 12.354 0.568 -38.258 544 H ASP 64 H ASP 64 8.075 -1.042 -41.439 545 HA ASP 64 HA ASP 64 6.371 -2.122 -39.522 546 HB2 ASP 64 HB2 ASP 64 5.889 -1.219 -41.923 547 HB3 ASP 64 HB3 ASP 64 6.131 -2.894 -42.411 548 H GLU 65 H GLU 65 6.688 -3.915 -38.387 549 HA GLU 65 HA GLU 65 7.398 -6.371 -39.820 550 HB2 GLU 65 HB2 GLU 65 8.986 -7.029 -38.112 551 HB3 GLU 65 HB3 GLU 65 9.461 -5.479 -38.793 552 HG2 GLU 65 HG2 GLU 65 8.136 -4.502 -36.776 553 HG3 GLU 65 HG3 GLU 65 8.380 -6.107 -36.089 554 H TRP 66 H TRP 66 7.046 -8.331 -38.390 555 HA TRP 66 HA TRP 66 4.564 -7.928 -36.867 556 HD1 TRP 66 HD1 TRP 66 7.309 -9.987 -39.378 557 HE1 TRP 66 HE1 TRP 66 8.444 -12.290 -39.198 558 HE3 TRP 66 HE3 TRP 66 3.900 -12.341 -36.381 559 HZ2 TRP 66 HZ2 TRP 66 7.959 -14.776 -37.952 560 HZ3 TRP 66 HZ3 TRP 66 4.310 -14.682 -35.742 561 HH2 TRP 66 HH2 TRP 66 6.298 -15.872 -36.512 562 HB2 TRP 66 HB2 TRP 66 3.951 -10.167 -37.424 563 HB3 TRP 66 HB3 TRP 66 4.532 -9.416 -38.908 564 H ILE 67 H ILE 67 4.405 -8.541 -34.778 565 HA ILE 67 HA ILE 67 6.627 -10.059 -33.598 566 HB ILE 67 HB ILE 67 6.399 -8.579 -31.553 567 HG12 ILE 67 HG12 ILE 67 5.248 -6.567 -33.476 568 HG13 ILE 67 HG13 ILE 67 4.213 -7.572 -32.467 569 HG21 ILE 67 HG21 ILE 67 8.103 -7.195 -32.268 570 HG22 ILE 67 HG22 ILE 67 8.177 -8.503 -33.447 571 HG23 ILE 67 HG23 ILE 67 7.398 -6.979 -33.869 572 HD11 ILE 67 HD11 ILE 67 6.286 -6.326 -30.904 573 HD12 ILE 67 HD12 ILE 67 5.349 -5.131 -31.801 574 HD13 ILE 67 HD13 ILE 67 4.534 -6.258 -30.716 575 H THR 68 H THR 68 6.014 -10.629 -31.220 576 HA THR 68 HA THR 68 3.331 -11.806 -31.325 577 HB THR 68 HB THR 68 4.061 -13.393 -29.684 578 HG1 THR 68 HG1 THR 68 6.149 -13.218 -28.743 579 HG21 THR 68 HG21 THR 68 5.392 -14.625 -31.046 580 HG22 THR 68 HG22 THR 68 6.551 -13.316 -31.277 581 HG23 THR 68 HG23 THR 68 5.041 -13.330 -32.190 582 H THR 69 H THR 69 2.738 -12.273 -28.749 583 HA THR 69 HA THR 69 1.837 -9.732 -27.836 584 HB THR 69 HB THR 69 0.595 -11.888 -27.501 585 HG1 THR 69 HG1 THR 69 -0.371 -10.730 -26.028 586 HG21 THR 69 HG21 THR 69 2.565 -12.311 -25.253 587 HG22 THR 69 HG22 THR 69 2.578 -13.209 -26.770 588 HG23 THR 69 HG23 THR 69 1.200 -13.343 -25.678 589 H ASP 70 H ASP 70 4.562 -11.756 -27.089 590 HA ASP 70 HA ASP 70 5.245 -10.780 -24.561 591 HB2 ASP 70 HB2 ASP 70 6.278 -12.754 -25.733 592 HB3 ASP 70 HB3 ASP 70 7.195 -11.614 -26.715 593 H ARG 71 H ARG 71 6.245 -9.651 -27.781 594 HA ARG 71 HA ARG 71 7.872 -7.538 -26.859 595 HE ARG 71 HE ARG 71 9.136 -9.543 -27.098 596 HB2 ARG 71 HB2 ARG 71 6.407 -7.743 -29.495 597 HB3 ARG 71 HB3 ARG 71 7.785 -6.708 -29.147 598 HG2 ARG 71 HG2 ARG 71 7.906 -9.704 -28.958 599 HG3 ARG 71 HG3 ARG 71 8.274 -8.812 -30.436 600 HD2 ARG 71 HD2 ARG 71 10.370 -9.007 -29.525 601 HD3 ARG 71 HD3 ARG 71 9.864 -7.459 -28.849 602 HH11 ARG 71 HH11 ARG 71 11.939 -7.838 -28.261 603 HH12 ARG 71 HH12 ARG 71 12.860 -8.102 -26.817 604 HH21 ARG 71 HH21 ARG 71 10.338 -9.898 -25.193 605 HH22 ARG 71 HH22 ARG 71 11.949 -9.275 -25.073 606 H ILE 72 H ILE 72 4.487 -7.908 -26.988 607 HA ILE 72 HA ILE 72 4.025 -5.015 -26.880 608 HB ILE 72 HB ILE 72 2.032 -7.277 -27.073 609 HG12 ILE 72 HG12 ILE 72 2.752 -5.251 -29.190 610 HG13 ILE 72 HG13 ILE 72 3.540 -6.821 -29.076 611 HG21 ILE 72 HG21 ILE 72 0.463 -5.807 -26.531 612 HG22 ILE 72 HG22 ILE 72 1.698 -4.572 -26.286 613 HG23 ILE 72 HG23 ILE 72 0.958 -4.777 -27.874 614 HD11 ILE 72 HD11 ILE 72 0.708 -6.180 -29.778 615 HD12 ILE 72 HD12 ILE 72 1.887 -7.150 -30.660 616 HD13 ILE 72 HD13 ILE 72 1.157 -7.778 -29.182 617 H ASN 73 H ASN 73 3.978 -4.086 -24.952 618 HA ASN 73 HA ASN 73 3.756 -5.598 -22.532 619 HB2 ASN 73 HB2 ASN 73 5.184 -3.637 -22.593 620 HB3 ASN 73 HB3 ASN 73 3.817 -2.614 -23.024 621 HD21 ASN 73 HD21 ASN 73 2.949 -1.526 -21.425 622 HD22 ASN 73 HD22 ASN 73 3.001 -1.953 -19.751 623 H LEU 74 H LEU 74 1.637 -6.549 -23.017 624 HA LEU 74 HA LEU 74 -0.665 -4.794 -22.892 625 HG LEU 74 HG LEU 74 -2.867 -6.113 -22.871 626 HB2 LEU 74 HB2 LEU 74 -0.372 -7.018 -24.224 627 HB3 LEU 74 HB3 LEU 74 -0.822 -7.771 -22.695 628 HD11 LEU 74 HD11 LEU 74 -1.911 -5.069 -24.947 629 HD12 LEU 74 HD12 LEU 74 -3.573 -5.644 -25.085 630 HD13 LEU 74 HD13 LEU 74 -2.254 -6.587 -25.778 631 HD21 LEU 74 HD21 LEU 74 -2.779 -8.568 -24.610 632 HD22 LEU 74 HD22 LEU 74 -4.162 -7.893 -23.748 633 HD23 LEU 74 HD23 LEU 74 -2.837 -8.631 -22.848 634 H ASP 75 H ASP 75 0.270 -4.065 -20.703 635 HA ASP 75 HA ASP 75 -0.783 -5.803 -18.569 636 HB2 ASP 75 HB2 ASP 75 1.737 -5.075 -18.668 637 HB3 ASP 75 HB3 ASP 75 1.121 -3.556 -18.021 638 H LYS 76 H LYS 76 -2.232 -3.839 -20.259 639 HA LYS 76 HA LYS 76 -2.809 -1.573 -18.601 640 HB2 LYS 76 HB2 LYS 76 -4.018 -2.701 -21.112 641 HB3 LYS 76 HB3 LYS 76 -4.786 -1.370 -20.258 642 HG2 LYS 76 HG2 LYS 76 -1.911 -1.240 -21.092 643 HG3 LYS 76 HG3 LYS 76 -3.220 -0.812 -22.197 644 HD2 LYS 76 HD2 LYS 76 -4.015 0.684 -20.204 645 HD3 LYS 76 HD3 LYS 76 -2.336 0.538 -19.682 646 HE2 LYS 76 HE2 LYS 76 -3.122 1.412 -22.452 647 HE3 LYS 76 HE3 LYS 76 -2.892 2.544 -21.120 648 HZ1 LYS 76 HZ1 LYS 76 -0.949 1.760 -22.786 649 HZ2 LYS 76 HZ2 LYS 76 -0.725 0.671 -21.511 650 HZ3 LYS 76 HZ3 LYS 76 -0.678 2.336 -21.218 651 H GLU 77 H GLU 77 -5.094 -1.099 -17.915 652 HA GLU 77 HA GLU 77 -6.247 -3.507 -16.677 653 HB2 GLU 77 HB2 GLU 77 -7.169 -2.007 -14.967 654 HB3 GLU 77 HB3 GLU 77 -5.419 -1.876 -15.064 655 HG2 GLU 77 HG2 GLU 77 -7.104 0.025 -16.617 656 HG3 GLU 77 HG3 GLU 77 -6.915 0.255 -14.879 657 H VAL 78 H VAL 78 -8.450 -3.877 -16.757 658 HA VAL 78 HA VAL 78 -9.830 -2.586 -18.965 659 HB VAL 78 HB VAL 78 -9.877 -5.048 -18.753 660 HG11 VAL 78 HG11 VAL 78 -11.600 -4.578 -16.325 661 HG12 VAL 78 HG12 VAL 78 -11.137 -6.134 -17.016 662 HG13 VAL 78 HG13 VAL 78 -9.917 -5.100 -16.271 663 HG21 VAL 78 HG21 VAL 78 -11.671 -3.810 -19.922 664 HG22 VAL 78 HG22 VAL 78 -12.230 -5.328 -19.220 665 HG23 VAL 78 HG23 VAL 78 -12.603 -3.798 -18.425 666 H LEU 79 H LEU 79 -11.555 -1.259 -18.799 667 HA LEU 79 HA LEU 79 -12.268 -0.340 -16.119 668 HG LEU 79 HG LEU 79 -10.549 1.432 -17.469 669 HB2 LEU 79 HB2 LEU 79 -12.505 0.795 -18.869 670 HB3 LEU 79 HB3 LEU 79 -13.563 1.392 -17.592 671 HD11 LEU 79 HD11 LEU 79 -12.227 3.871 -17.809 672 HD12 LEU 79 HD12 LEU 79 -11.818 2.901 -19.223 673 HD13 LEU 79 HD13 LEU 79 -10.536 3.595 -18.231 674 HD21 LEU 79 HD21 LEU 79 -11.451 3.309 -15.739 675 HD22 LEU 79 HD22 LEU 79 -11.034 1.657 -15.284 676 HD23 LEU 79 HD23 LEU 79 -12.716 2.088 -15.593 677 H TYR 80 H TYR 80 -13.900 -1.389 -15.193 678 HA TYR 80 HA TYR 80 -16.235 -2.079 -16.854 679 HD1 TYR 80 HD1 TYR 80 -17.265 -3.977 -17.505 680 HD2 TYR 80 HD2 TYR 80 -13.682 -5.313 -15.640 681 HE1 TYR 80 HE1 TYR 80 -16.967 -5.645 -19.288 682 HE2 TYR 80 HE2 TYR 80 -13.373 -6.984 -17.419 683 HH TYR 80 HH TYR 80 -15.543 -8.108 -19.283 684 HB2 TYR 80 HB2 TYR 80 -14.839 -3.573 -14.683 685 HB3 TYR 80 HB3 TYR 80 -16.585 -3.749 -14.815 686 HA PRO 81 HA PRO 81 -17.713 1.086 -13.877 687 HB2 PRO 81 HB2 PRO 81 -19.546 2.131 -15.585 688 HB3 PRO 81 HB3 PRO 81 -17.846 2.615 -15.586 689 HG2 PRO 81 HG2 PRO 81 -19.267 0.684 -17.378 690 HG3 PRO 81 HG3 PRO 81 -18.074 1.927 -17.796 691 HD2 PRO 81 HD2 PRO 81 -17.428 -0.692 -17.558 692 HD3 PRO 81 HD3 PRO 81 -16.293 0.612 -17.153 693 H LYS 82 H LYS 82 -19.243 0.629 -12.429 694 HA LYS 82 HA LYS 82 -20.930 -1.586 -12.596 695 HB2 LYS 82 HB2 LYS 82 -20.196 -0.372 -10.504 696 HB3 LYS 82 HB3 LYS 82 -21.413 0.843 -10.869 697 HG2 LYS 82 HG2 LYS 82 -23.155 -0.538 -10.345 698 HG3 LYS 82 HG3 LYS 82 -22.255 -2.005 -10.740 699 HD2 LYS 82 HD2 LYS 82 -20.909 -1.727 -8.718 700 HD3 LYS 82 HD3 LYS 82 -21.792 -0.249 -8.327 701 HE2 LYS 82 HE2 LYS 82 -22.810 -1.899 -7.018 702 HE3 LYS 82 HE3 LYS 82 -23.893 -1.706 -8.395 703 HZ1 LYS 82 HZ1 LYS 82 -22.577 -3.633 -9.396 704 HZ2 LYS 82 HZ2 LYS 82 -23.676 -3.990 -8.159 705 HZ3 LYS 82 HZ3 LYS 82 -22.020 -3.914 -7.823 706 H LEU 83 H LEU 83 -23.084 -1.860 -13.074 707 HA LEU 83 HA LEU 83 -24.757 0.371 -13.794 708 HG LEU 83 HG LEU 83 -25.230 1.263 -15.767 709 HB2 LEU 83 HB2 LEU 83 -23.185 -0.475 -15.794 710 HB3 LEU 83 HB3 LEU 83 -24.526 -1.603 -15.983 711 HD11 LEU 83 HD11 LEU 83 -24.414 0.372 -18.464 712 HD12 LEU 83 HD12 LEU 83 -23.123 0.806 -17.344 713 HD13 LEU 83 HD13 LEU 83 -24.380 1.979 -17.737 714 HD21 LEU 83 HD21 LEU 83 -26.422 0.037 -17.971 715 HD22 LEU 83 HD22 LEU 83 -27.146 0.325 -16.388 716 HD23 LEU 83 HD23 LEU 83 -26.352 -1.213 -16.727 717 H LYS 84 H LYS 84 -26.956 -0.336 -14.409 718 HA LYS 84 HA LYS 84 -27.643 -3.090 -13.790 719 HB2 LYS 84 HB2 LYS 84 -29.278 -2.461 -12.065 720 HB3 LYS 84 HB3 LYS 84 -27.636 -2.054 -11.583 721 HG2 LYS 84 HG2 LYS 84 -28.006 0.199 -11.714 722 HG3 LYS 84 HG3 LYS 84 -29.285 0.030 -12.918 723 HD2 LYS 84 HD2 LYS 84 -30.431 0.644 -10.983 724 HD3 LYS 84 HD3 LYS 84 -30.618 -1.110 -11.034 725 HE2 LYS 84 HE2 LYS 84 -29.998 -0.833 -8.849 726 HE3 LYS 84 HE3 LYS 84 -28.415 -1.049 -9.593 727 HZ1 LYS 84 HZ1 LYS 84 -27.913 0.856 -8.578 728 HZ2 LYS 84 HZ2 LYS 84 -29.531 1.263 -8.297 729 HZ3 LYS 84 HZ3 LYS 84 -28.817 1.616 -9.789 730 H ALA 85 H ALA 85 -29.803 -3.650 -14.392 731 HA ALA 85 HA ALA 85 -30.747 -2.131 -16.651 732 HB1 ALA 85 HB1 ALA 85 -30.907 -4.383 -17.079 733 HB2 ALA 85 HB2 ALA 85 -31.427 -4.769 -15.438 734 HB3 ALA 85 HB3 ALA 85 -32.555 -4.018 -16.566 735 H THR 86 H THR 86 -32.415 -0.757 -16.724 736 HA THR 86 HA THR 86 -34.120 -0.533 -14.328 737 HB THR 86 HB THR 86 -34.420 1.895 -15.089 738 HG1 THR 86 HG1 THR 86 -31.965 1.364 -16.432 739 HG21 THR 86 HG21 THR 86 -31.609 1.254 -14.235 740 HG22 THR 86 HG22 THR 86 -32.985 1.007 -13.160 741 HG23 THR 86 HG23 THR 86 -32.618 2.622 -13.766 742 H ASP 87 H ASP 87 -36.296 0.311 -14.715 743 HA ASP 87 HA ASP 87 -37.322 0.141 -17.423 744 HB2 ASP 87 HB2 ASP 87 -37.321 -2.211 -16.480 745 HB3 ASP 87 HB3 ASP 87 -38.497 -1.651 -15.294 746 H GLU 88 H GLU 88 -38.643 1.808 -17.658 747 HA GLU 88 HA GLU 88 -40.089 2.803 -15.294 748 HB2 GLU 88 HB2 GLU 88 -38.380 4.302 -16.468 749 HB3 GLU 88 HB3 GLU 88 -39.528 4.384 -17.797 750 HG2 GLU 88 HG2 GLU 88 -41.136 5.487 -16.476 751 HG3 GLU 88 HG3 GLU 88 -40.269 5.124 -14.985 752 H ASP 89 H ASP 89 -42.261 3.424 -15.498 753 HA ASP 89 HA ASP 89 -43.639 2.196 -17.790 754 HB2 ASP 89 HB2 ASP 89 -45.641 2.195 -16.227 755 HB3 ASP 89 HB3 ASP 89 -44.323 1.111 -15.790 Start of MODEL 15 1 HA MET -4 HA MET -4 -15.201 5.293 -1.473 2 H1 MET -4 H1 MET -4 -16.516 7.519 -1.859 3 HB2 MET -4 HB2 MET -4 -16.762 5.907 -3.983 4 HB3 MET -4 HB3 MET -4 -16.247 4.286 -3.537 5 HG2 MET -4 HG2 MET -4 -17.709 4.157 -1.770 6 HG3 MET -4 HG3 MET -4 -17.816 5.907 -1.594 7 HE1 MET -4 HE1 MET -4 -21.235 5.913 -2.184 8 HE2 MET -4 HE2 MET -4 -19.760 6.573 -1.475 9 HE3 MET -4 HE3 MET -4 -20.360 7.205 -3.009 10 H GLY -3 H GLY -3 -13.268 7.314 -2.316 11 HA2 GLY -3 HA2 GLY -3 -12.009 6.006 -4.631 12 HA3 GLY -3 HA3 GLY -3 -11.617 7.608 -4.026 13 H SER -2 H SER -2 -9.578 5.922 -4.564 14 HA SER -2 HA SER -2 -8.665 5.100 -1.885 15 HG SER -2 HG SER -2 -9.954 3.633 -4.254 16 HB2 SER -2 HB2 SER -2 -7.592 3.851 -4.399 17 HB3 SER -2 HB3 SER -2 -7.587 3.214 -2.754 18 H SER -1 H SER -1 -6.411 5.358 -1.446 19 HA SER -1 HA SER -1 -5.029 7.248 -3.230 20 HG SER -1 HG SER -1 -5.764 7.895 0.658 21 HB2 SER -1 HB2 SER -1 -4.164 8.416 -1.209 22 HB3 SER -1 HB3 SER -1 -5.916 8.537 -1.371 23 H HIS 0 H HIS 0 -4.111 5.100 -3.896 24 HA HIS 0 HA HIS 0 -1.514 4.804 -2.808 25 HD1 HIS 0 HD1 HIS 0 -1.877 0.469 -2.566 26 HD2 HIS 0 HD2 HIS 0 0.068 3.632 -0.703 27 HE1 HIS 0 HE1 HIS 0 0.373 -0.429 -1.890 28 HB2 HIS 0 HB2 HIS 0 -2.877 3.594 -1.076 29 HB3 HIS 0 HB3 HIS 0 -3.347 2.448 -2.328 30 H HIS 1 H HIS 1 -0.207 4.055 -4.360 31 HA HIS 1 HA HIS 1 -1.263 3.386 -6.915 32 HD1 HIS 1 HD1 HIS 1 3.239 2.181 -7.276 33 HD2 HIS 1 HD2 HIS 1 1.423 3.223 -3.688 34 HE1 HIS 1 HE1 HIS 1 4.789 1.358 -5.474 35 HB2 HIS 1 HB2 HIS 1 1.023 3.209 -7.634 36 HB3 HIS 1 HB3 HIS 1 0.912 4.571 -6.523 37 H HIS 2 H HIS 2 -0.586 1.412 -8.128 38 HA HIS 2 HA HIS 2 -0.464 -0.967 -6.404 39 HD1 HIS 2 HD1 HIS 2 -4.529 0.014 -8.646 40 HD2 HIS 2 HD2 HIS 2 -2.587 -0.308 -4.988 41 HE1 HIS 2 HE1 HIS 2 -6.095 1.031 -6.961 42 HB2 HIS 2 HB2 HIS 2 -2.179 -0.796 -8.884 43 HB3 HIS 2 HB3 HIS 2 -2.135 -2.095 -7.696 44 H HIS 3 H HIS 3 -0.251 -2.969 -8.091 45 HA HIS 3 HA HIS 3 1.725 -2.280 -10.137 46 HD1 HIS 3 HD1 HIS 3 5.249 -3.037 -9.179 47 HD2 HIS 3 HD2 HIS 3 2.351 -1.300 -6.762 48 HE1 HIS 3 HE1 HIS 3 6.390 -1.105 -8.044 49 HB2 HIS 3 HB2 HIS 3 2.174 -4.147 -7.813 50 HB3 HIS 3 HB3 HIS 3 3.115 -4.261 -9.297 51 H HIS 4 H HIS 4 2.460 -4.624 -11.099 52 HA HIS 4 HA HIS 4 0.158 -6.378 -11.377 53 HD1 HIS 4 HD1 HIS 4 1.094 -5.886 -15.956 54 HD2 HIS 4 HD2 HIS 4 3.033 -3.792 -12.937 55 HE1 HIS 4 HE1 HIS 4 3.166 -4.938 -17.019 56 HB2 HIS 4 HB2 HIS 4 -0.015 -6.182 -13.757 57 HB3 HIS 4 HB3 HIS 4 -0.099 -4.553 -13.093 58 H HIS 5 H HIS 5 0.676 -8.344 -12.616 59 HA HIS 5 HA HIS 5 3.518 -8.906 -12.950 60 HD1 HIS 5 HD1 HIS 5 1.350 -8.405 -9.687 61 HD2 HIS 5 HD2 HIS 5 5.262 -9.780 -9.949 62 HE1 HIS 5 HE1 HIS 5 2.580 -7.300 -7.791 63 HB2 HIS 5 HB2 HIS 5 1.735 -10.595 -11.183 64 HB3 HIS 5 HB3 HIS 5 3.413 -10.942 -11.593 65 H SER 6 H SER 6 3.926 -10.902 -14.118 66 HA SER 6 HA SER 6 1.915 -12.517 -15.220 67 HG SER 6 HG SER 6 2.747 -9.177 -16.445 68 HB2 SER 6 HB2 SER 6 2.061 -11.645 -17.601 69 HB3 SER 6 HB3 SER 6 1.142 -10.643 -16.478 70 H SER 7 H SER 7 2.752 -14.188 -16.460 71 HA SER 7 HA SER 7 5.296 -14.193 -17.666 72 HG SER 7 HG SER 7 7.339 -15.193 -16.812 73 HB2 SER 7 HB2 SER 7 6.041 -14.083 -15.291 74 HB3 SER 7 HB3 SER 7 5.201 -15.604 -14.988 75 H GLY 8 H GLY 8 5.908 -16.320 -18.479 76 HA2 GLY 8 HA2 GLY 8 5.168 -18.743 -18.437 77 HA3 GLY 8 HA3 GLY 8 3.553 -18.091 -18.673 78 H LEU 9 H LEU 9 3.199 -19.117 -20.626 79 HA LEU 9 HA LEU 9 5.027 -18.484 -22.830 80 HG LEU 9 HG LEU 9 5.261 -21.098 -21.776 81 HB2 LEU 9 HB2 LEU 9 2.891 -20.553 -22.445 82 HB3 LEU 9 HB3 LEU 9 3.515 -20.168 -24.048 83 HD11 LEU 9 HD11 LEU 9 4.695 -23.216 -22.132 84 HD12 LEU 9 HD12 LEU 9 4.814 -23.027 -23.881 85 HD13 LEU 9 HD13 LEU 9 3.314 -22.614 -23.050 86 HD21 LEU 9 HD21 LEU 9 6.774 -20.286 -23.239 87 HD22 LEU 9 HD22 LEU 9 5.658 -20.362 -24.603 88 HD23 LEU 9 HD23 LEU 9 6.488 -21.821 -24.061 89 H VAL 10 H VAL 10 1.509 -18.997 -22.742 90 HA VAL 10 HA VAL 10 1.164 -16.795 -24.615 91 HB VAL 10 HB VAL 10 -1.123 -17.549 -24.856 92 HG11 VAL 10 HG11 VAL 10 -0.247 -20.207 -25.044 93 HG12 VAL 10 HG12 VAL 10 -0.272 -18.987 -26.319 94 HG13 VAL 10 HG13 VAL 10 1.174 -19.203 -25.332 95 HG21 VAL 10 HG21 VAL 10 -1.911 -19.555 -23.603 96 HG22 VAL 10 HG22 VAL 10 -0.473 -19.427 -22.589 97 HG23 VAL 10 HG23 VAL 10 -1.668 -18.130 -22.593 98 HA PRO 11 HA PRO 11 -0.228 -13.829 -21.691 99 HB2 PRO 11 HB2 PRO 11 -2.022 -12.444 -23.186 100 HB3 PRO 11 HB3 PRO 11 -0.276 -12.326 -23.428 101 HG2 PRO 11 HG2 PRO 11 -2.292 -13.939 -24.942 102 HG3 PRO 11 HG3 PRO 11 -0.937 -12.977 -25.560 103 HD2 PRO 11 HD2 PRO 11 -0.815 -15.670 -25.305 104 HD3 PRO 11 HD3 PRO 11 0.607 -14.626 -25.102 105 H ARG 12 H ARG 12 -2.369 -16.125 -23.065 106 HA ARG 12 HA ARG 12 -4.845 -15.428 -22.069 107 HE ARG 12 HE ARG 12 -6.984 -18.029 -23.850 108 HB2 ARG 12 HB2 ARG 12 -3.663 -18.209 -22.200 109 HB3 ARG 12 HB3 ARG 12 -5.375 -17.825 -22.085 110 HG2 ARG 12 HG2 ARG 12 -5.125 -16.587 -24.265 111 HG3 ARG 12 HG3 ARG 12 -3.516 -17.302 -24.386 112 HD2 ARG 12 HD2 ARG 12 -4.994 -18.688 -25.628 113 HD3 ARG 12 HD3 ARG 12 -4.603 -19.549 -24.140 114 HH11 ARG 12 HH11 ARG 12 -5.719 -20.958 -25.244 115 HH12 ARG 12 HH12 ARG 12 -7.234 -21.797 -25.181 116 HH21 ARG 12 HH21 ARG 12 -8.984 -19.122 -23.762 117 HH22 ARG 12 HH22 ARG 12 -9.091 -20.751 -24.339 118 H GLY 13 H GLY 13 -5.112 -14.635 -20.061 119 HA2 GLY 13 HA2 GLY 13 -5.528 -15.980 -17.821 120 HA3 GLY 13 HA3 GLY 13 -3.772 -15.916 -17.805 121 H SER 14 H SER 14 -3.234 -13.402 -18.693 122 HA SER 14 HA SER 14 -3.442 -11.831 -16.441 123 HG SER 14 HG SER 14 -3.596 -11.841 -19.847 124 HB2 SER 14 HB2 SER 14 -2.922 -9.897 -17.974 125 HB3 SER 14 HB3 SER 14 -1.833 -11.275 -18.132 126 H HIS 15 H HIS 15 -4.529 -9.631 -16.333 127 HA HIS 15 HA HIS 15 -7.266 -9.904 -16.121 128 HD1 HIS 15 HD1 HIS 15 -3.726 -7.853 -15.164 129 HD2 HIS 15 HD2 HIS 15 -5.878 -5.969 -18.177 130 HE1 HIS 15 HE1 HIS 15 -2.074 -6.367 -16.342 131 HB2 HIS 15 HB2 HIS 15 -7.280 -7.344 -16.170 132 HB3 HIS 15 HB3 HIS 15 -6.277 -8.115 -14.945 133 H MET 16 H MET 16 -5.411 -8.473 -18.790 134 HA MET 16 HA MET 16 -7.814 -8.738 -20.474 135 HB2 MET 16 HB2 MET 16 -5.754 -6.534 -20.449 136 HB3 MET 16 HB3 MET 16 -6.879 -6.775 -21.778 137 HG2 MET 16 HG2 MET 16 -7.702 -6.294 -18.925 138 HG3 MET 16 HG3 MET 16 -7.574 -5.038 -20.155 139 HE1 MET 16 HE1 MET 16 -9.626 -4.207 -21.306 140 HE2 MET 16 HE2 MET 16 -11.200 -4.864 -20.856 141 HE3 MET 16 HE3 MET 16 -10.072 -4.344 -19.604 142 H SER 17 H SER 17 -7.371 -9.045 -22.775 143 HA SER 17 HA SER 17 -4.711 -10.107 -23.385 144 HG SER 17 HG SER 17 -6.410 -13.100 -22.426 145 HB2 SER 17 HB2 SER 17 -7.251 -11.625 -24.019 146 HB3 SER 17 HB3 SER 17 -5.595 -12.153 -24.319 147 H VAL 18 H VAL 18 -5.077 -11.029 -25.889 148 HA VAL 18 HA VAL 18 -5.106 -8.732 -27.465 149 HB VAL 18 HB VAL 18 -4.023 -10.794 -28.195 150 HG11 VAL 18 HG11 VAL 18 -5.051 -12.784 -28.484 151 HG12 VAL 18 HG12 VAL 18 -6.224 -12.097 -27.359 152 HG13 VAL 18 HG13 VAL 18 -6.534 -12.052 -29.095 153 HG21 VAL 18 HG21 VAL 18 -4.651 -9.130 -29.874 154 HG22 VAL 18 HG22 VAL 18 -4.728 -10.764 -30.532 155 HG23 VAL 18 HG23 VAL 18 -6.212 -9.924 -30.082 156 H ASP 19 H ASP 19 -7.710 -10.671 -26.318 157 HA ASP 19 HA ASP 19 -9.659 -10.196 -28.261 158 HB2 ASP 19 HB2 ASP 19 -9.694 -11.698 -26.117 159 HB3 ASP 19 HB3 ASP 19 -10.370 -10.265 -25.349 160 H ASP 20 H ASP 20 -8.230 -8.074 -25.976 161 HA ASP 20 HA ASP 20 -10.377 -6.102 -26.291 162 HB2 ASP 20 HB2 ASP 20 -8.175 -6.500 -24.318 163 HB3 ASP 20 HB3 ASP 20 -8.745 -4.858 -24.604 164 H ILE 21 H ILE 21 -8.374 -6.874 -28.377 165 HA ILE 21 HA ILE 21 -7.211 -4.199 -28.811 166 HB ILE 21 HB ILE 21 -6.120 -6.853 -29.756 167 HG12 ILE 21 HG12 ILE 21 -5.072 -4.869 -27.725 168 HG13 ILE 21 HG13 ILE 21 -5.732 -6.462 -27.371 169 HG21 ILE 21 HG21 ILE 21 -5.756 -5.103 -31.402 170 HG22 ILE 21 HG22 ILE 21 -5.071 -4.056 -30.161 171 HG23 ILE 21 HG23 ILE 21 -4.237 -5.540 -30.620 172 HD11 ILE 21 HD11 ILE 21 -3.224 -5.888 -28.932 173 HD12 ILE 21 HD12 ILE 21 -3.313 -6.479 -27.273 174 HD13 ILE 21 HD13 ILE 21 -3.887 -7.488 -28.602 175 H ILE 22 H ILE 22 -7.414 -3.277 -30.827 176 HA ILE 22 HA ILE 22 -9.089 -4.734 -32.765 177 HB ILE 22 HB ILE 22 -10.208 -2.682 -33.364 178 HG12 ILE 22 HG12 ILE 22 -8.508 -1.373 -31.230 179 HG13 ILE 22 HG13 ILE 22 -8.348 -1.129 -32.966 180 HG21 ILE 22 HG21 ILE 22 -11.536 -2.348 -31.401 181 HG22 ILE 22 HG22 ILE 22 -11.052 -4.043 -31.454 182 HG23 ILE 22 HG23 ILE 22 -10.234 -2.926 -30.362 183 HD11 ILE 22 HD11 ILE 22 -9.797 0.529 -32.851 184 HD12 ILE 22 HD12 ILE 22 -11.033 -0.588 -32.272 185 HD13 ILE 22 HD13 ILE 22 -9.994 0.252 -31.120 186 H ILE 23 H ILE 23 -9.065 -3.112 -34.883 187 HA ILE 23 HA ILE 23 -6.287 -3.241 -35.744 188 HB ILE 23 HB ILE 23 -8.695 -2.517 -37.411 189 HG12 ILE 23 HG12 ILE 23 -9.067 -4.711 -36.424 190 HG13 ILE 23 HG13 ILE 23 -8.687 -4.885 -38.134 191 HG21 ILE 23 HG21 ILE 23 -5.840 -2.855 -37.921 192 HG22 ILE 23 HG22 ILE 23 -6.871 -3.774 -39.017 193 HG23 ILE 23 HG23 ILE 23 -7.073 -2.029 -38.873 194 HD11 ILE 23 HD11 ILE 23 -6.244 -5.038 -36.768 195 HD12 ILE 23 HD12 ILE 23 -7.387 -6.030 -35.864 196 HD13 ILE 23 HD13 ILE 23 -7.118 -6.336 -37.580 197 H LYS 24 H LYS 24 -5.156 -1.511 -36.658 198 HA LYS 24 HA LYS 24 -4.448 0.640 -36.872 199 HB2 LYS 24 HB2 LYS 24 -7.339 1.482 -36.723 200 HB3 LYS 24 HB3 LYS 24 -6.011 2.310 -37.524 201 HG2 LYS 24 HG2 LYS 24 -5.903 0.104 -38.937 202 HG3 LYS 24 HG3 LYS 24 -7.578 -0.060 -38.404 203 HD2 LYS 24 HD2 LYS 24 -7.882 1.128 -40.339 204 HD3 LYS 24 HD3 LYS 24 -7.720 2.452 -39.184 205 HE2 LYS 24 HE2 LYS 24 -5.268 1.387 -40.499 206 HE3 LYS 24 HE3 LYS 24 -6.349 2.419 -41.434 207 HZ1 LYS 24 HZ1 LYS 24 -6.115 3.798 -39.147 208 HZ2 LYS 24 HZ2 LYS 24 -5.160 4.061 -40.518 209 HZ3 LYS 24 HZ3 LYS 24 -4.579 3.099 -39.255 210 H CYS 25 H CYS 25 -4.558 -0.482 -34.287 211 HA CYS 25 HA CYS 25 -5.339 1.794 -32.599 212 HG CYS 25 HG CYS 25 -6.282 1.775 -30.387 213 HB2 CYS 25 HB2 CYS 25 -6.101 -0.688 -32.196 214 HB3 CYS 25 HB3 CYS 25 -4.501 -0.856 -31.484 215 H GLN 26 H GLN 26 -3.893 2.536 -30.960 216 HA GLN 26 HA GLN 26 -1.112 2.403 -31.811 217 HB2 GLN 26 HB2 GLN 26 -0.763 4.292 -30.301 218 HB3 GLN 26 HB3 GLN 26 -2.107 4.603 -31.391 219 HG2 GLN 26 HG2 GLN 26 -3.489 3.602 -29.363 220 HG3 GLN 26 HG3 GLN 26 -2.093 4.189 -28.460 221 HE21 GLN 26 HE21 GLN 26 -2.917 5.917 -27.452 222 HE22 GLN 26 HE22 GLN 26 -3.624 7.279 -28.245 223 H CYS 27 H CYS 27 0.390 1.230 -30.819 224 HA CYS 27 HA CYS 27 -0.105 0.345 -28.058 225 HG CYS 27 HG CYS 27 1.014 -0.738 -31.826 226 HB2 CYS 27 HB2 CYS 27 0.822 -1.856 -28.600 227 HB3 CYS 27 HB3 CYS 27 -0.594 -1.514 -29.587 228 H TRP 28 H TRP 28 1.593 0.485 -26.696 229 HA TRP 28 HA TRP 28 4.078 1.585 -27.795 230 HD1 TRP 28 HD1 TRP 28 1.318 3.781 -26.342 231 HE1 TRP 28 HE1 TRP 28 1.990 6.186 -26.965 232 HE3 TRP 28 HE3 TRP 28 6.398 3.320 -25.998 233 HZ2 TRP 28 HZ2 TRP 28 4.359 7.689 -27.271 234 HZ3 TRP 28 HZ3 TRP 28 7.796 5.289 -26.473 235 HH2 TRP 28 HH2 TRP 28 6.796 7.427 -27.097 236 HB2 TRP 28 HB2 TRP 28 2.677 1.793 -25.174 237 HB3 TRP 28 HB3 TRP 28 4.435 1.903 -25.172 238 H VAL 29 H VAL 29 5.938 0.483 -27.763 239 HA VAL 29 HA VAL 29 5.931 -2.175 -26.525 240 HB VAL 29 HB VAL 29 7.814 -1.003 -28.577 241 HG11 VAL 29 HG11 VAL 29 8.442 -3.479 -28.808 242 HG12 VAL 29 HG12 VAL 29 9.078 -2.593 -27.420 243 HG13 VAL 29 HG13 VAL 29 7.700 -3.676 -27.221 244 HG21 VAL 29 HG21 VAL 29 6.567 -3.096 -29.775 245 HG22 VAL 29 HG22 VAL 29 5.273 -2.463 -28.757 246 HG23 VAL 29 HG23 VAL 29 6.065 -1.413 -29.932 247 H GLN 30 H GLN 30 6.763 -2.260 -24.547 248 HA GLN 30 HA GLN 30 8.634 -0.297 -23.593 249 HB2 GLN 30 HB2 GLN 30 6.842 -1.334 -22.178 250 HB3 GLN 30 HB3 GLN 30 7.742 -2.844 -22.237 251 HG2 GLN 30 HG2 GLN 30 9.517 -1.964 -20.985 252 HG3 GLN 30 HG3 GLN 30 8.971 -0.305 -21.224 253 HE21 GLN 30 HE21 GLN 30 9.409 -0.604 -18.779 254 HE22 GLN 30 HE22 GLN 30 8.017 -0.981 -17.828 255 H LYS 31 H LYS 31 10.639 -0.410 -24.409 256 HA LYS 31 HA LYS 31 11.915 -2.923 -24.997 257 HB2 LYS 31 HB2 LYS 31 12.198 -0.448 -26.030 258 HB3 LYS 31 HB3 LYS 31 13.532 -0.442 -24.884 259 HG2 LYS 31 HG2 LYS 31 14.322 -1.153 -27.038 260 HG3 LYS 31 HG3 LYS 31 14.389 -2.511 -25.913 261 HD2 LYS 31 HD2 LYS 31 12.619 -3.605 -26.928 262 HD3 LYS 31 HD3 LYS 31 11.976 -2.122 -27.637 263 HE2 LYS 31 HE2 LYS 31 13.521 -2.128 -29.363 264 HE3 LYS 31 HE3 LYS 31 14.658 -3.143 -28.478 265 HZ1 LYS 31 HZ1 LYS 31 13.703 -4.479 -30.152 266 HZ2 LYS 31 HZ2 LYS 31 12.131 -3.972 -29.785 267 HZ3 LYS 31 HZ3 LYS 31 12.973 -4.964 -28.705 268 H ASN 32 H ASN 32 14.138 -3.383 -24.153 269 HA ASN 32 HA ASN 32 14.132 -3.841 -21.437 270 HB2 ASN 32 HB2 ASN 32 16.390 -3.628 -23.418 271 HB3 ASN 32 HB3 ASN 32 16.687 -4.014 -21.725 272 HD21 ASN 32 HD21 ASN 32 17.147 -6.093 -21.636 273 HD22 ASN 32 HD22 ASN 32 16.235 -7.363 -22.372 274 H ASP 33 H ASP 33 16.171 -1.395 -23.049 275 HA ASP 33 HA ASP 33 15.948 0.248 -20.613 276 HB2 ASP 33 HB2 ASP 33 18.327 -0.480 -22.258 277 HB3 ASP 33 HB3 ASP 33 18.276 1.128 -21.541 278 H GLU 34 H GLU 34 14.544 0.155 -23.335 279 HA GLU 34 HA GLU 34 14.713 3.039 -23.806 280 HB2 GLU 34 HB2 GLU 34 14.935 0.904 -25.928 281 HB3 GLU 34 HB3 GLU 34 14.529 2.576 -26.289 282 HG2 GLU 34 HG2 GLU 34 16.672 3.254 -25.215 283 HG3 GLU 34 HG3 GLU 34 17.081 1.544 -25.079 284 H GLU 35 H GLU 35 12.902 3.486 -25.657 285 HA GLU 35 HA GLU 35 10.495 1.950 -25.011 286 HB2 GLU 35 HB2 GLU 35 10.979 4.831 -24.421 287 HB3 GLU 35 HB3 GLU 35 9.377 4.361 -24.971 288 HG2 GLU 35 HG2 GLU 35 9.599 2.546 -23.101 289 HG3 GLU 35 HG3 GLU 35 10.796 3.664 -22.452 290 H ARG 36 H ARG 36 9.363 1.489 -26.778 291 HA ARG 36 HA ARG 36 9.730 3.191 -29.156 292 HE ARG 36 HE ARG 36 12.454 0.426 -30.815 293 HB2 ARG 36 HB2 ARG 36 10.672 0.703 -29.035 294 HB3 ARG 36 HB3 ARG 36 9.013 0.318 -29.472 295 HG2 ARG 36 HG2 ARG 36 10.227 0.435 -31.487 296 HG3 ARG 36 HG3 ARG 36 9.268 1.914 -31.401 297 HD2 ARG 36 HD2 ARG 36 11.390 2.623 -32.097 298 HD3 ARG 36 HD3 ARG 36 11.339 2.993 -30.374 299 HH11 ARG 36 HH11 ARG 36 13.180 3.822 -31.069 300 HH12 ARG 36 HH12 ARG 36 14.887 3.605 -30.866 301 HH21 ARG 36 HH21 ARG 36 14.699 0.128 -30.546 302 HH22 ARG 36 HH22 ARG 36 15.750 1.504 -30.569 303 H LEU 37 H LEU 37 7.925 3.253 -30.644 304 HA LEU 37 HA LEU 37 5.344 2.473 -29.487 305 HG LEU 37 HG LEU 37 3.720 5.790 -29.598 306 HB2 LEU 37 HB2 LEU 37 5.688 4.801 -28.896 307 HB3 LEU 37 HB3 LEU 37 6.029 5.198 -30.580 308 HD11 LEU 37 HD11 LEU 37 3.256 4.261 -32.058 309 HD12 LEU 37 HD12 LEU 37 4.620 5.376 -32.122 310 HD13 LEU 37 HD13 LEU 37 3.011 5.974 -31.718 311 HD21 LEU 37 HD21 LEU 37 2.863 3.082 -30.427 312 HD22 LEU 37 HD22 LEU 37 2.177 4.173 -29.223 313 HD23 LEU 37 HD23 LEU 37 3.618 3.231 -28.839 314 H ALA 38 H ALA 38 4.080 1.476 -30.911 315 HA ALA 38 HA ALA 38 4.342 2.095 -33.761 316 HB1 ALA 38 HB1 ALA 38 3.967 -0.693 -33.616 317 HB2 ALA 38 HB2 ALA 38 5.366 0.186 -34.235 318 HB3 ALA 38 HB3 ALA 38 5.308 -0.300 -32.540 319 H GLU 39 H GLU 39 2.559 0.996 -35.040 320 HA GLU 39 HA GLU 39 0.081 1.035 -33.448 321 HB2 GLU 39 HB2 GLU 39 0.639 2.768 -35.385 322 HB3 GLU 39 HB3 GLU 39 0.029 1.466 -36.397 323 HG2 GLU 39 HG2 GLU 39 -2.093 1.530 -35.368 324 HG3 GLU 39 HG3 GLU 39 -1.508 2.557 -34.061 325 H ILE 40 H ILE 40 -1.722 -0.265 -34.405 326 HA ILE 40 HA ILE 40 -0.674 -2.876 -35.229 327 HB ILE 40 HB ILE 40 -3.393 -2.148 -34.131 328 HG12 ILE 40 HG12 ILE 40 -1.645 -1.932 -32.447 329 HG13 ILE 40 HG13 ILE 40 -2.622 -3.357 -32.113 330 HG21 ILE 40 HG21 ILE 40 -3.977 -4.058 -35.162 331 HG22 ILE 40 HG22 ILE 40 -2.307 -4.595 -35.337 332 HG23 ILE 40 HG23 ILE 40 -3.151 -4.826 -33.806 333 HD11 ILE 40 HD11 ILE 40 -0.697 -4.495 -33.565 334 HD12 ILE 40 HD12 ILE 40 0.211 -3.137 -32.901 335 HD13 ILE 40 HD13 ILE 40 -0.587 -4.278 -31.818 336 H LEU 41 H LEU 41 -0.856 -3.493 -37.271 337 HA LEU 41 HA LEU 41 -2.776 -2.113 -39.006 338 HG LEU 41 HG LEU 41 0.443 -1.870 -38.730 339 HB2 LEU 41 HB2 LEU 41 -0.468 -3.884 -39.788 340 HB3 LEU 41 HB3 LEU 41 -1.441 -2.880 -40.860 341 HD11 LEU 41 HD11 LEU 41 2.066 -1.863 -40.248 342 HD12 LEU 41 HD12 LEU 41 1.018 -1.135 -41.465 343 HD13 LEU 41 HD13 LEU 41 1.031 -2.885 -41.246 344 HD21 LEU 41 HD21 LEU 41 -1.681 -0.606 -40.271 345 HD22 LEU 41 HD22 LEU 41 -0.118 0.187 -40.465 346 HD23 LEU 41 HD23 LEU 41 -0.805 -0.023 -38.854 347 H SER 42 H SER 42 -1.381 -5.393 -38.972 348 HA SER 42 HA SER 42 -4.100 -6.443 -39.412 349 HG SER 42 HG SER 42 -2.995 -8.928 -41.625 350 HB2 SER 42 HB2 SER 42 -2.436 -6.624 -41.348 351 HB3 SER 42 HB3 SER 42 -1.573 -7.798 -40.354 352 H ILE 43 H ILE 43 -4.289 -8.801 -38.768 353 HA ILE 43 HA ILE 43 -2.610 -9.485 -36.468 354 HB ILE 43 HB ILE 43 -5.629 -9.436 -36.380 355 HG12 ILE 43 HG12 ILE 43 -3.570 -7.830 -34.849 356 HG13 ILE 43 HG13 ILE 43 -4.606 -7.214 -36.131 357 HG21 ILE 43 HG21 ILE 43 -5.507 -10.956 -34.771 358 HG22 ILE 43 HG22 ILE 43 -3.756 -11.034 -34.960 359 HG23 ILE 43 HG23 ILE 43 -4.471 -9.879 -33.835 360 HD11 ILE 43 HD11 ILE 43 -6.425 -8.268 -34.403 361 HD12 ILE 43 HD12 ILE 43 -5.177 -7.674 -33.308 362 HD13 ILE 43 HD13 ILE 43 -5.935 -6.575 -34.462 363 H ASN 44 H ASN 44 -1.894 -11.486 -36.723 364 HA ASN 44 HA ASN 44 -3.409 -13.339 -38.415 365 HB2 ASN 44 HB2 ASN 44 -1.213 -13.237 -39.210 366 HB3 ASN 44 HB3 ASN 44 -0.527 -13.163 -37.589 367 HD21 ASN 44 HD21 ASN 44 -0.304 -15.054 -36.394 368 HD22 ASN 44 HD22 ASN 44 -0.377 -16.615 -37.131 369 H THR 45 H THR 45 -4.408 -15.070 -37.607 370 HA THR 45 HA THR 45 -3.929 -15.741 -34.777 371 HB THR 45 HB THR 45 -6.253 -16.735 -34.852 372 HG1 THR 45 HG1 THR 45 -6.136 -16.523 -37.335 373 HG21 THR 45 HG21 THR 45 -6.933 -14.007 -35.408 374 HG22 THR 45 HG22 THR 45 -5.412 -14.065 -34.519 375 HG23 THR 45 HG23 THR 45 -6.852 -14.836 -33.854 376 H ARG 46 H ARG 46 -2.257 -16.835 -36.700 377 HA ARG 46 HA ARG 46 -3.225 -19.463 -37.415 378 HE ARG 46 HE ARG 46 -0.182 -21.903 -40.392 379 HB2 ARG 46 HB2 ARG 46 -1.587 -18.028 -38.769 380 HB3 ARG 46 HB3 ARG 46 -0.373 -18.515 -37.593 381 HG2 ARG 46 HG2 ARG 46 -0.499 -20.769 -38.230 382 HG3 ARG 46 HG3 ARG 46 -2.011 -20.520 -39.105 383 HD2 ARG 46 HD2 ARG 46 -0.877 -19.213 -40.784 384 HD3 ARG 46 HD3 ARG 46 0.631 -19.287 -39.872 385 HH11 ARG 46 HH11 ARG 46 0.887 -19.088 -42.140 386 HH12 ARG 46 HH12 ARG 46 1.593 -19.998 -43.434 387 HH21 ARG 46 HH21 ARG 46 0.744 -23.113 -42.090 388 HH22 ARG 46 HH22 ARG 46 1.510 -22.288 -43.405 389 H LYS 47 H LYS 47 -0.628 -18.192 -35.331 390 HA LYS 47 HA LYS 47 -0.536 -20.784 -33.955 391 HB2 LYS 47 HB2 LYS 47 1.621 -20.092 -33.093 392 HB3 LYS 47 HB3 LYS 47 1.593 -19.889 -34.840 393 HG2 LYS 47 HG2 LYS 47 1.910 -17.684 -34.706 394 HG3 LYS 47 HG3 LYS 47 0.773 -17.504 -33.369 395 HD2 LYS 47 HD2 LYS 47 2.412 -17.516 -31.848 396 HD3 LYS 47 HD3 LYS 47 3.199 -18.909 -32.592 397 HE2 LYS 47 HE2 LYS 47 3.406 -16.335 -34.034 398 HE3 LYS 47 HE3 LYS 47 4.296 -16.464 -32.518 399 HZ1 LYS 47 HZ1 LYS 47 5.863 -17.441 -33.736 400 HZ2 LYS 47 HZ2 LYS 47 4.834 -17.681 -35.057 401 HZ3 LYS 47 HZ3 LYS 47 4.855 -18.798 -33.788 402 H ALA 48 H ALA 48 0.356 -20.240 -31.519 403 HA ALA 48 HA ALA 48 -1.426 -18.227 -30.343 404 HB1 ALA 48 HB1 ALA 48 -1.931 -19.942 -28.520 405 HB2 ALA 48 HB2 ALA 48 -2.742 -20.145 -30.073 406 HB3 ALA 48 HB3 ALA 48 -1.351 -21.150 -29.667 407 HA PRO 49 HA PRO 49 -1.617 -16.877 -28.922 408 HB2 PRO 49 HB2 PRO 49 -0.420 -14.453 -28.674 409 HB3 PRO 49 HB3 PRO 49 -0.865 -15.451 -27.285 410 HG2 PRO 49 HG2 PRO 49 1.800 -15.127 -28.608 411 HG3 PRO 49 HG3 PRO 49 1.409 -15.183 -26.880 412 HD2 PRO 49 HD2 PRO 49 2.396 -17.319 -28.220 413 HD3 PRO 49 HD3 PRO 49 1.271 -17.484 -26.857 414 HA PRO 50 HA PRO 50 -1.396 -15.637 -33.135 415 HB2 PRO 50 HB2 PRO 50 -2.891 -13.371 -33.179 416 HB3 PRO 50 HB3 PRO 50 -3.592 -14.981 -32.970 417 HG2 PRO 50 HG2 PRO 50 -2.954 -12.910 -30.904 418 HG3 PRO 50 HG3 PRO 50 -4.391 -13.938 -31.051 419 HD2 PRO 50 HD2 PRO 50 -2.378 -14.486 -29.326 420 HD3 PRO 50 HD3 PRO 50 -3.340 -15.758 -30.105 421 H LYS 51 H LYS 51 -0.670 -13.977 -34.640 422 HA LYS 51 HA LYS 51 1.435 -12.318 -33.451 423 HB2 LYS 51 HB2 LYS 51 1.043 -12.992 -36.368 424 HB3 LYS 51 HB3 LYS 51 2.477 -12.308 -35.615 425 HG2 LYS 51 HG2 LYS 51 2.423 -14.523 -34.217 426 HG3 LYS 51 HG3 LYS 51 1.468 -15.107 -35.582 427 HD2 LYS 51 HD2 LYS 51 4.190 -13.825 -35.810 428 HD3 LYS 51 HD3 LYS 51 3.895 -15.565 -35.811 429 HE2 LYS 51 HE2 LYS 51 2.630 -13.671 -37.781 430 HE3 LYS 51 HE3 LYS 51 4.163 -14.490 -38.078 431 HZ1 LYS 51 HZ1 LYS 51 1.717 -15.476 -38.681 432 HZ2 LYS 51 HZ2 LYS 51 2.068 -16.262 -37.225 433 HZ3 LYS 51 HZ3 LYS 51 3.129 -16.396 -38.535 434 H PHE 52 H PHE 52 1.764 -10.149 -34.182 435 HA PHE 52 HA PHE 52 -0.564 -8.889 -35.452 436 HD1 PHE 52 HD1 PHE 52 -2.366 -9.385 -33.908 437 HD2 PHE 52 HD2 PHE 52 0.629 -8.531 -31.007 438 HE1 PHE 52 HE1 PHE 52 -3.554 -10.790 -32.274 439 HE2 PHE 52 HE2 PHE 52 -0.553 -9.935 -29.369 440 HZ PHE 52 HZ PHE 52 -2.647 -11.067 -30.001 441 HB2 PHE 52 HB2 PHE 52 0.829 -7.630 -33.095 442 HB3 PHE 52 HB3 PHE 52 -0.709 -7.177 -33.822 443 H TYR 53 H TYR 53 -0.107 -7.239 -36.832 444 HA TYR 53 HA TYR 53 2.689 -6.876 -37.529 445 HD1 TYR 53 HD1 TYR 53 3.701 -5.362 -38.849 446 HD2 TYR 53 HD2 TYR 53 0.941 -7.403 -41.363 447 HE1 TYR 53 HE1 TYR 53 5.412 -5.493 -40.611 448 HE2 TYR 53 HE2 TYR 53 2.644 -7.541 -43.132 449 HH TYR 53 HH TYR 53 5.822 -7.136 -42.658 450 HB2 TYR 53 HB2 TYR 53 0.448 -7.093 -39.054 451 HB3 TYR 53 HB3 TYR 53 0.639 -5.344 -39.000 452 H VAL 54 H VAL 54 3.863 -5.298 -36.690 453 HA VAL 54 HA VAL 54 2.558 -3.014 -35.438 454 HB VAL 54 HB VAL 54 4.869 -2.438 -34.669 455 HG11 VAL 54 HG11 VAL 54 3.388 -3.680 -33.223 456 HG12 VAL 54 HG12 VAL 54 3.839 -5.195 -34.008 457 HG13 VAL 54 HG13 VAL 54 5.029 -4.305 -33.057 458 HG21 VAL 54 HG21 VAL 54 6.046 -5.013 -35.118 459 HG22 VAL 54 HG22 VAL 54 5.604 -4.280 -36.660 460 HG23 VAL 54 HG23 VAL 54 6.663 -3.417 -35.544 461 H HIS 55 H HIS 55 2.810 -0.903 -36.060 462 HA HIS 55 HA HIS 55 4.141 -0.468 -38.653 463 HD1 HIS 55 HD1 HIS 55 3.557 -0.381 -40.665 464 HD2 HIS 55 HD2 HIS 55 1.263 2.964 -39.770 465 HE1 HIS 55 HE1 HIS 55 3.421 0.933 -42.805 466 HB2 HIS 55 HB2 HIS 55 1.528 -0.224 -38.343 467 HB3 HIS 55 HB3 HIS 55 1.973 1.350 -37.689 468 H TYR 56 H TYR 56 5.416 1.341 -38.923 469 HA TYR 56 HA TYR 56 6.237 2.652 -36.434 470 HD1 TYR 56 HD1 TYR 56 7.977 4.520 -39.823 471 HD2 TYR 56 HD2 TYR 56 7.466 0.300 -39.628 472 HE1 TYR 56 HE1 TYR 56 8.102 4.398 -42.276 473 HE2 TYR 56 HE2 TYR 56 7.591 0.166 -42.081 474 HH TYR 56 HH TYR 56 7.037 2.125 -44.060 475 HB2 TYR 56 HB2 TYR 56 8.255 3.322 -37.724 476 HB3 TYR 56 HB3 TYR 56 8.037 1.578 -37.643 477 H VAL 57 H VAL 57 7.113 4.975 -36.855 478 HA VAL 57 HA VAL 57 5.377 6.456 -38.691 479 HB VAL 57 HB VAL 57 4.978 8.155 -36.852 480 HG11 VAL 57 HG11 VAL 57 3.044 7.071 -37.369 481 HG12 VAL 57 HG12 VAL 57 3.729 5.472 -37.072 482 HG13 VAL 57 HG13 VAL 57 3.249 6.493 -35.716 483 HG21 VAL 57 HG21 VAL 57 6.692 6.470 -35.429 484 HG22 VAL 57 HG22 VAL 57 5.781 7.843 -34.801 485 HG23 VAL 57 HG23 VAL 57 5.097 6.220 -34.718 486 H ASN 58 H ASN 58 8.307 5.780 -38.376 487 HA ASN 58 HA ASN 58 9.279 8.500 -38.810 488 HB2 ASN 58 HB2 ASN 58 10.776 6.564 -37.038 489 HB3 ASN 58 HB3 ASN 58 11.179 8.248 -37.364 490 HD21 ASN 58 HD21 ASN 58 9.696 9.879 -36.581 491 HD22 ASN 58 HD22 ASN 58 8.796 9.579 -35.137 492 H TYR 59 H TYR 59 11.924 8.016 -39.198 493 HA TYR 59 HA TYR 59 11.924 6.749 -41.752 494 HD1 TYR 59 HD1 TYR 59 12.833 7.303 -43.557 495 HD2 TYR 59 HD2 TYR 59 16.377 7.405 -41.206 496 HE1 TYR 59 HE1 TYR 59 14.167 6.784 -45.557 497 HE2 TYR 59 HE2 TYR 59 17.722 6.888 -43.200 498 HH TYR 59 HH TYR 59 16.274 5.936 -46.196 499 HB2 TYR 59 HB2 TYR 59 13.343 8.727 -41.100 500 HB3 TYR 59 HB3 TYR 59 14.331 7.624 -40.150 501 H ASN 60 H ASN 60 11.358 4.588 -41.394 502 HA ASN 60 HA ASN 60 13.468 2.784 -41.089 503 HB2 ASN 60 HB2 ASN 60 12.455 1.702 -38.915 504 HB3 ASN 60 HB3 ASN 60 13.619 3.018 -38.793 505 HD21 ASN 60 HD21 ASN 60 12.934 3.795 -36.854 506 HD22 ASN 60 HD22 ASN 60 11.394 4.539 -36.613 507 H LYS 61 H LYS 61 12.814 1.323 -42.512 508 HA LYS 61 HA LYS 61 9.972 0.684 -42.742 509 HB2 LYS 61 HB2 LYS 61 10.607 -0.444 -44.832 510 HB3 LYS 61 HB3 LYS 61 11.153 1.227 -44.804 511 HG2 LYS 61 HG2 LYS 61 13.407 0.474 -44.208 512 HG3 LYS 61 HG3 LYS 61 12.853 -1.201 -44.266 513 HD2 LYS 61 HD2 LYS 61 12.111 -0.646 -46.669 514 HD3 LYS 61 HD3 LYS 61 13.162 0.764 -46.514 515 HE2 LYS 61 HE2 LYS 61 15.081 -0.533 -46.328 516 HE3 LYS 61 HE3 LYS 61 14.180 -1.971 -45.847 517 HZ1 LYS 61 HZ1 LYS 61 13.234 -1.972 -48.146 518 HZ2 LYS 61 HZ2 LYS 61 14.892 -2.296 -48.063 519 HZ3 LYS 61 HZ3 LYS 61 14.353 -0.770 -48.552 520 H ARG 62 H ARG 62 12.986 -0.698 -41.708 521 HA ARG 62 HA ARG 62 12.205 -3.423 -41.756 522 HE ARG 62 HE ARG 62 16.993 -2.114 -40.470 523 HB2 ARG 62 HB2 ARG 62 14.128 -3.762 -40.223 524 HB3 ARG 62 HB3 ARG 62 14.545 -2.840 -41.661 525 HG2 ARG 62 HG2 ARG 62 13.732 -1.166 -39.419 526 HG3 ARG 62 HG3 ARG 62 15.156 -2.154 -39.084 527 HD2 ARG 62 HD2 ARG 62 14.984 -0.653 -41.657 528 HD3 ARG 62 HD3 ARG 62 15.399 0.213 -40.179 529 HH11 ARG 62 HH11 ARG 62 16.594 1.127 -41.676 530 HH12 ARG 62 HH12 ARG 62 18.260 1.310 -42.113 531 HH21 ARG 62 HH21 ARG 62 19.189 -1.886 -41.041 532 HH22 ARG 62 HH22 ARG 62 19.736 -0.405 -41.752 533 H LEU 63 H LEU 63 11.581 -0.809 -39.588 534 HA LEU 63 HA LEU 63 11.066 -2.213 -37.219 535 HG LEU 63 HG LEU 63 10.005 0.996 -35.746 536 HB2 LEU 63 HB2 LEU 63 11.152 0.359 -37.798 537 HB3 LEU 63 HB3 LEU 63 9.408 0.151 -37.946 538 HD11 LEU 63 HD11 LEU 63 9.235 -1.833 -35.225 539 HD12 LEU 63 HD12 LEU 63 8.179 -0.825 -36.214 540 HD13 LEU 63 HD13 LEU 63 8.568 -0.339 -34.564 541 HD21 LEU 63 HD21 LEU 63 11.292 -1.521 -34.902 542 HD22 LEU 63 HD22 LEU 63 11.609 0.142 -34.407 543 HD23 LEU 63 HD23 LEU 63 12.257 -0.462 -35.932 544 H ASP 64 H ASP 64 8.973 -1.433 -39.962 545 HA ASP 64 HA ASP 64 6.593 -2.475 -38.831 546 HB2 ASP 64 HB2 ASP 64 6.275 -0.995 -40.627 547 HB3 ASP 64 HB3 ASP 64 7.457 -1.824 -41.637 548 H GLU 65 H GLU 65 7.011 -4.509 -37.976 549 HA GLU 65 HA GLU 65 7.157 -6.647 -39.970 550 HB2 GLU 65 HB2 GLU 65 8.799 -7.891 -38.726 551 HB3 GLU 65 HB3 GLU 65 9.443 -6.287 -39.050 552 HG2 GLU 65 HG2 GLU 65 8.747 -5.621 -36.753 553 HG3 GLU 65 HG3 GLU 65 8.312 -7.303 -36.456 554 H TRP 66 H TRP 66 7.051 -8.839 -38.433 555 HA TRP 66 HA TRP 66 4.474 -8.529 -37.077 556 HD1 TRP 66 HD1 TRP 66 6.167 -9.532 -40.402 557 HE1 TRP 66 HE1 TRP 66 4.512 -9.391 -42.368 558 HE3 TRP 66 HE3 TRP 66 1.925 -11.078 -38.004 559 HZ2 TRP 66 HZ2 TRP 66 1.771 -9.871 -42.840 560 HZ3 TRP 66 HZ3 TRP 66 -0.172 -11.209 -39.285 561 HH2 TRP 66 HH2 TRP 66 -0.246 -10.618 -41.652 562 HB2 TRP 66 HB2 TRP 66 5.877 -11.040 -38.017 563 HB3 TRP 66 HB3 TRP 66 4.254 -10.958 -37.338 564 H ILE 67 H ILE 67 4.141 -9.091 -34.972 565 HA ILE 67 HA ILE 67 6.248 -10.393 -33.455 566 HB ILE 67 HB ILE 67 6.310 -8.642 -31.724 567 HG12 ILE 67 HG12 ILE 67 5.195 -6.595 -33.547 568 HG13 ILE 67 HG13 ILE 67 4.026 -7.695 -32.826 569 HG21 ILE 67 HG21 ILE 67 7.713 -7.053 -32.953 570 HG22 ILE 67 HG22 ILE 67 8.051 -8.718 -33.420 571 HG23 ILE 67 HG23 ILE 67 7.088 -7.685 -34.476 572 HD11 ILE 67 HD11 ILE 67 4.729 -7.065 -30.617 573 HD12 ILE 67 HD12 ILE 67 6.024 -6.066 -31.276 574 HD13 ILE 67 HD13 ILE 67 4.339 -5.617 -31.544 575 H THR 68 H THR 68 5.562 -10.840 -31.197 576 HA THR 68 HA THR 68 2.662 -11.325 -31.114 577 HB THR 68 HB THR 68 3.118 -13.126 -29.539 578 HG1 THR 68 HG1 THR 68 5.892 -12.839 -29.944 579 HG21 THR 68 HG21 THR 68 3.280 -14.347 -31.400 580 HG22 THR 68 HG22 THR 68 5.031 -14.191 -31.272 581 HG23 THR 68 HG23 THR 68 4.113 -13.047 -32.250 582 H THR 69 H THR 69 2.111 -11.743 -28.566 583 HA THR 69 HA THR 69 2.036 -9.158 -27.434 584 HB THR 69 HB THR 69 0.287 -10.801 -26.973 585 HG1 THR 69 HG1 THR 69 0.545 -9.200 -25.408 586 HG21 THR 69 HG21 THR 69 2.563 -12.423 -26.170 587 HG22 THR 69 HG22 THR 69 0.927 -12.914 -26.605 588 HG23 THR 69 HG23 THR 69 1.287 -12.408 -24.954 589 H ASP 70 H ASP 70 4.435 -11.549 -27.390 590 HA ASP 70 HA ASP 70 5.583 -11.366 -24.886 591 HB2 ASP 70 HB2 ASP 70 6.662 -11.882 -27.622 592 HB3 ASP 70 HB3 ASP 70 7.804 -11.623 -26.306 593 H ARG 71 H ARG 71 5.596 -9.049 -27.487 594 HA ARG 71 HA ARG 71 7.440 -7.329 -25.978 595 HE ARG 71 HE ARG 71 8.625 -5.767 -29.826 596 HB2 ARG 71 HB2 ARG 71 6.533 -7.164 -28.858 597 HB3 ARG 71 HB3 ARG 71 7.632 -6.033 -28.081 598 HG2 ARG 71 HG2 ARG 71 9.334 -7.632 -27.903 599 HG3 ARG 71 HG3 ARG 71 8.224 -8.968 -28.217 600 HD2 ARG 71 HD2 ARG 71 9.682 -8.429 -30.145 601 HD3 ARG 71 HD3 ARG 71 7.962 -8.280 -30.506 602 HH11 ARG 71 HH11 ARG 71 10.062 -8.058 -32.017 603 HH12 ARG 71 HH12 ARG 71 10.673 -6.845 -33.092 604 HH21 ARG 71 HH21 ARG 71 9.423 -4.160 -31.234 605 HH22 ARG 71 HH22 ARG 71 10.310 -4.627 -32.645 606 H ILE 72 H ILE 72 4.183 -7.623 -27.132 607 HA ILE 72 HA ILE 72 3.565 -4.874 -26.325 608 HB ILE 72 HB ILE 72 1.833 -6.897 -27.750 609 HG12 ILE 72 HG12 ILE 72 2.961 -4.361 -28.913 610 HG13 ILE 72 HG13 ILE 72 3.877 -5.863 -28.948 611 HG21 ILE 72 HG21 ILE 72 1.150 -4.525 -26.347 612 HG22 ILE 72 HG22 ILE 72 0.918 -4.233 -28.070 613 HG23 ILE 72 HG23 ILE 72 0.104 -5.588 -27.288 614 HD11 ILE 72 HD11 ILE 72 1.086 -5.745 -30.013 615 HD12 ILE 72 HD12 ILE 72 2.460 -5.226 -30.989 616 HD13 ILE 72 HD13 ILE 72 2.378 -6.883 -30.392 617 H ASN 73 H ASN 73 2.907 -4.549 -24.315 618 HA ASN 73 HA ASN 73 1.486 -6.721 -22.924 619 HB2 ASN 73 HB2 ASN 73 3.676 -6.027 -21.942 620 HB3 ASN 73 HB3 ASN 73 3.006 -4.419 -21.683 621 HD21 ASN 73 HD21 ASN 73 1.853 -4.039 -19.900 622 HD22 ASN 73 HD22 ASN 73 1.396 -5.237 -18.742 623 H LEU 74 H LEU 74 -0.474 -6.346 -22.012 624 HA LEU 74 HA LEU 74 -2.149 -4.383 -22.984 625 HG LEU 74 HG LEU 74 -4.201 -7.117 -21.562 626 HB2 LEU 74 HB2 LEU 74 -2.230 -6.176 -20.608 627 HB3 LEU 74 HB3 LEU 74 -3.435 -4.898 -20.742 628 HD11 LEU 74 HD11 LEU 74 -4.124 -4.700 -23.315 629 HD12 LEU 74 HD12 LEU 74 -5.470 -5.387 -22.407 630 HD13 LEU 74 HD13 LEU 74 -4.905 -6.177 -23.879 631 HD21 LEU 74 HD21 LEU 74 -2.148 -7.961 -22.497 632 HD22 LEU 74 HD22 LEU 74 -2.095 -6.643 -23.667 633 HD23 LEU 74 HD23 LEU 74 -3.366 -7.862 -23.770 634 H ASP 75 H ASP 75 -3.342 -2.731 -21.612 635 HA ASP 75 HA ASP 75 -1.378 -1.197 -20.040 636 HB2 ASP 75 HB2 ASP 75 -1.967 -0.067 -22.118 637 HB3 ASP 75 HB3 ASP 75 -3.680 -0.196 -21.729 638 H LYS 76 H LYS 76 -4.672 -2.363 -20.222 639 HA LYS 76 HA LYS 76 -5.874 -0.992 -18.150 640 HB2 LYS 76 HB2 LYS 76 -6.216 -3.831 -19.100 641 HB3 LYS 76 HB3 LYS 76 -7.222 -3.141 -17.834 642 HG2 LYS 76 HG2 LYS 76 -6.952 -1.822 -20.511 643 HG3 LYS 76 HG3 LYS 76 -8.117 -3.117 -20.224 644 HD2 LYS 76 HD2 LYS 76 -9.026 -1.774 -18.325 645 HD3 LYS 76 HD3 LYS 76 -7.957 -0.457 -18.810 646 HE2 LYS 76 HE2 LYS 76 -9.096 -0.116 -20.819 647 HE3 LYS 76 HE3 LYS 76 -9.862 -1.703 -20.761 648 HZ1 LYS 76 HZ1 LYS 76 -10.982 0.654 -19.967 649 HZ2 LYS 76 HZ2 LYS 76 -10.549 -0.085 -18.508 650 HZ3 LYS 76 HZ3 LYS 76 -11.557 -0.894 -19.598 651 H GLU 77 H GLU 77 -6.342 -1.659 -15.942 652 HA GLU 77 HA GLU 77 -4.240 -3.319 -14.731 653 HB2 GLU 77 HB2 GLU 77 -3.799 -1.748 -13.026 654 HB3 GLU 77 HB3 GLU 77 -3.802 -0.821 -14.520 655 HG2 GLU 77 HG2 GLU 77 -6.344 -0.482 -13.873 656 HG3 GLU 77 HG3 GLU 77 -5.712 -0.783 -12.255 657 H VAL 78 H VAL 78 -4.791 -4.223 -12.660 658 HA VAL 78 HA VAL 78 -7.571 -4.061 -11.818 659 HB VAL 78 HB VAL 78 -7.955 -6.454 -11.888 660 HG11 VAL 78 HG11 VAL 78 -8.418 -4.950 -13.889 661 HG12 VAL 78 HG12 VAL 78 -6.987 -5.676 -14.624 662 HG13 VAL 78 HG13 VAL 78 -8.366 -6.687 -14.190 663 HG21 VAL 78 HG21 VAL 78 -5.271 -6.666 -13.249 664 HG22 VAL 78 HG22 VAL 78 -5.624 -7.171 -11.597 665 HG23 VAL 78 HG23 VAL 78 -6.399 -7.988 -12.954 666 H LEU 79 H LEU 79 -7.947 -5.308 -9.792 667 HA LEU 79 HA LEU 79 -5.491 -5.385 -8.166 668 HG LEU 79 HG LEU 79 -6.804 -2.715 -8.179 669 HB2 LEU 79 HB2 LEU 79 -8.290 -4.535 -7.507 670 HB3 LEU 79 HB3 LEU 79 -7.153 -5.005 -6.245 671 HD11 LEU 79 HD11 LEU 79 -6.821 -1.648 -5.691 672 HD12 LEU 79 HD12 LEU 79 -7.989 -2.955 -5.504 673 HD13 LEU 79 HD13 LEU 79 -8.229 -1.731 -6.750 674 HD21 LEU 79 HD21 LEU 79 -4.988 -2.267 -6.280 675 HD22 LEU 79 HD22 LEU 79 -4.631 -3.193 -7.738 676 HD23 LEU 79 HD23 LEU 79 -5.003 -4.030 -6.231 677 H TYR 80 H TYR 80 -5.069 -7.572 -8.500 678 HA TYR 80 HA TYR 80 -7.055 -9.422 -7.350 679 HD1 TYR 80 HD1 TYR 80 -7.041 -8.099 -10.426 680 HD2 TYR 80 HD2 TYR 80 -7.597 -12.220 -9.526 681 HE1 TYR 80 HE1 TYR 80 -9.070 -8.122 -11.817 682 HE2 TYR 80 HE2 TYR 80 -9.627 -12.255 -10.915 683 HH TYR 80 HH TYR 80 -10.999 -9.331 -12.238 684 HB2 TYR 80 HB2 TYR 80 -5.121 -9.752 -9.625 685 HB3 TYR 80 HB3 TYR 80 -5.705 -11.157 -8.740 686 HA PRO 81 HA PRO 81 -3.510 -9.476 -4.435 687 HB2 PRO 81 HB2 PRO 81 -5.052 -9.933 -2.248 688 HB3 PRO 81 HB3 PRO 81 -4.768 -8.316 -2.902 689 HG2 PRO 81 HG2 PRO 81 -7.126 -10.122 -3.275 690 HG3 PRO 81 HG3 PRO 81 -7.091 -8.376 -2.965 691 HD2 PRO 81 HD2 PRO 81 -7.483 -9.411 -5.437 692 HD3 PRO 81 HD3 PRO 81 -6.647 -7.867 -5.169 693 H LYS 82 H LYS 82 -3.070 -11.504 -5.675 694 HA LYS 82 HA LYS 82 -3.511 -13.799 -3.936 695 HB2 LYS 82 HB2 LYS 82 -5.344 -13.966 -5.534 696 HB3 LYS 82 HB3 LYS 82 -4.218 -13.810 -6.876 697 HG2 LYS 82 HG2 LYS 82 -4.728 -16.095 -6.737 698 HG3 LYS 82 HG3 LYS 82 -3.120 -15.926 -6.027 699 HD2 LYS 82 HD2 LYS 82 -4.272 -17.343 -4.555 700 HD3 LYS 82 HD3 LYS 82 -4.326 -15.759 -3.778 701 HE2 LYS 82 HE2 LYS 82 -6.581 -15.407 -4.546 702 HE3 LYS 82 HE3 LYS 82 -6.532 -16.894 -5.492 703 HZ1 LYS 82 HZ1 LYS 82 -5.942 -17.821 -3.067 704 HZ2 LYS 82 HZ2 LYS 82 -7.519 -17.736 -3.674 705 HZ3 LYS 82 HZ3 LYS 82 -6.943 -16.524 -2.645 706 H LEU 83 H LEU 83 -1.741 -15.042 -3.773 707 HA LEU 83 HA LEU 83 0.690 -14.230 -4.967 708 HG LEU 83 HG LEU 83 0.472 -17.870 -4.555 709 HB2 LEU 83 HB2 LEU 83 1.712 -15.890 -3.711 710 HB3 LEU 83 HB3 LEU 83 0.298 -15.457 -2.752 711 HD11 LEU 83 HD11 LEU 83 0.393 -18.093 -1.599 712 HD12 LEU 83 HD12 LEU 83 1.926 -17.651 -2.349 713 HD13 LEU 83 HD13 LEU 83 1.126 -19.157 -2.799 714 HD21 LEU 83 HD21 LEU 83 -1.785 -17.408 -4.361 715 HD22 LEU 83 HD22 LEU 83 -1.619 -16.756 -2.731 716 HD23 LEU 83 HD23 LEU 83 -1.511 -18.496 -2.999 717 H LYS 84 H LYS 84 2.139 -16.079 -5.965 718 HA LYS 84 HA LYS 84 0.911 -17.993 -7.646 719 HB2 LYS 84 HB2 LYS 84 0.390 -15.642 -8.699 720 HB3 LYS 84 HB3 LYS 84 2.054 -15.745 -9.258 721 HG2 LYS 84 HG2 LYS 84 0.241 -18.051 -9.750 722 HG3 LYS 84 HG3 LYS 84 0.066 -16.599 -10.738 723 HD2 LYS 84 HD2 LYS 84 2.477 -16.738 -11.291 724 HD3 LYS 84 HD3 LYS 84 2.567 -18.250 -10.385 725 HE2 LYS 84 HE2 LYS 84 2.274 -19.016 -12.538 726 HE3 LYS 84 HE3 LYS 84 0.613 -18.979 -11.948 727 HZ1 LYS 84 HZ1 LYS 84 1.942 -16.985 -13.696 728 HZ2 LYS 84 HZ2 LYS 84 0.429 -16.737 -12.981 729 HZ3 LYS 84 HZ3 LYS 84 0.644 -17.995 -14.091 730 H ALA 85 H ALA 85 2.392 -19.467 -8.233 731 HA ALA 85 HA ALA 85 5.230 -18.723 -7.955 732 HB1 ALA 85 HB1 ALA 85 5.700 -20.966 -7.260 733 HB2 ALA 85 HB2 ALA 85 4.364 -20.353 -6.284 734 HB3 ALA 85 HB3 ALA 85 4.047 -21.472 -7.609 735 H THR 86 H THR 86 6.746 -19.703 -9.394 736 HA THR 86 HA THR 86 5.646 -20.957 -11.798 737 HB THR 86 HB THR 86 7.027 -19.478 -13.252 738 HG1 THR 86 HG1 THR 86 7.539 -17.381 -12.123 739 HG21 THR 86 HG21 THR 86 5.274 -18.098 -13.559 740 HG22 THR 86 HG22 THR 86 5.310 -17.520 -11.894 741 HG23 THR 86 HG23 THR 86 4.517 -19.048 -12.281 742 H ASP 87 H ASP 87 7.369 -21.842 -13.214 743 HA ASP 87 HA ASP 87 9.442 -23.052 -11.569 744 HB2 ASP 87 HB2 ASP 87 8.493 -23.607 -14.384 745 HB3 ASP 87 HB3 ASP 87 9.832 -24.462 -13.622 746 H GLU 88 H GLU 88 11.506 -23.553 -13.131 747 HA GLU 88 HA GLU 88 12.357 -21.310 -14.694 748 HB2 GLU 88 HB2 GLU 88 12.620 -20.399 -12.411 749 HB3 GLU 88 HB3 GLU 88 13.678 -21.744 -12.010 750 HG2 GLU 88 HG2 GLU 88 14.326 -19.965 -14.318 751 HG3 GLU 88 HG3 GLU 88 14.694 -19.458 -12.670 752 H ASP 89 H ASP 89 14.238 -21.722 -15.854 753 HA ASP 89 HA ASP 89 15.208 -24.494 -15.659 754 HB2 ASP 89 HB2 ASP 89 14.983 -22.593 -17.987 755 HB3 ASP 89 HB3 ASP 89 15.991 -24.036 -18.060 Start of MODEL 16 1 HA MET -4 HA MET -4 10.855 -5.359 5.852 2 H1 MET -4 H1 MET -4 8.856 -5.487 3.868 3 HB2 MET -4 HB2 MET -4 8.748 -7.414 5.208 4 HB3 MET -4 HB3 MET -4 9.853 -7.602 6.563 5 HG2 MET -4 HG2 MET -4 8.186 -5.136 6.249 6 HG3 MET -4 HG3 MET -4 7.541 -6.595 6.998 7 HE1 MET -4 HE1 MET -4 8.569 -3.559 9.468 8 HE2 MET -4 HE2 MET -4 9.578 -3.234 8.059 9 HE3 MET -4 HE3 MET -4 7.879 -3.655 7.848 10 H GLY -3 H GLY -3 10.214 -7.902 3.425 11 HA2 GLY -3 HA2 GLY -3 13.026 -8.748 3.737 12 HA3 GLY -3 HA3 GLY -3 11.715 -9.817 3.259 13 H SER -2 H SER -2 12.467 -10.489 1.309 14 HA SER -2 HA SER -2 13.764 -8.881 -0.590 15 HG SER -2 HG SER -2 13.655 -12.441 -0.197 16 HB2 SER -2 HB2 SER -2 12.122 -11.366 -1.131 17 HB3 SER -2 HB3 SER -2 13.398 -10.702 -2.151 18 H SER -1 H SER -1 13.006 -8.084 -2.621 19 HA SER -1 HA SER -1 10.116 -7.529 -2.707 20 HG SER -1 HG SER -1 12.927 -4.722 -3.413 21 HB2 SER -1 HB2 SER -1 10.925 -5.290 -3.813 22 HB3 SER -1 HB3 SER -1 10.900 -5.441 -2.057 23 H HIS 0 H HIS 0 10.926 -9.637 -4.071 24 HA HIS 0 HA HIS 0 10.286 -9.032 -6.745 25 HD1 HIS 0 HD1 HIS 0 14.137 -11.455 -7.040 26 HD2 HIS 0 HD2 HIS 0 13.833 -8.265 -4.396 27 HE1 HIS 0 HE1 HIS 0 15.988 -11.787 -5.371 28 HB2 HIS 0 HB2 HIS 0 12.461 -9.759 -7.783 29 HB3 HIS 0 HB3 HIS 0 12.513 -8.187 -6.991 30 H HIS 1 H HIS 1 9.564 -10.824 -7.770 31 HA HIS 1 HA HIS 1 10.484 -13.459 -7.051 32 HD1 HIS 1 HD1 HIS 1 5.873 -14.180 -6.065 33 HD2 HIS 1 HD2 HIS 1 7.587 -10.568 -7.194 34 HE1 HIS 1 HE1 HIS 1 3.946 -12.681 -6.665 35 HB2 HIS 1 HB2 HIS 1 8.370 -14.316 -6.256 36 HB3 HIS 1 HB3 HIS 1 8.830 -12.936 -5.263 37 H HIS 2 H HIS 2 9.870 -15.051 -8.536 38 HA HIS 2 HA HIS 2 8.216 -14.191 -10.800 39 HD1 HIS 2 HD1 HIS 2 11.429 -15.364 -13.858 40 HD2 HIS 2 HD2 HIS 2 7.850 -13.535 -12.805 41 HE1 HIS 2 HE1 HIS 2 10.333 -14.730 -16.031 42 HB2 HIS 2 HB2 HIS 2 10.832 -13.985 -11.107 43 HB3 HIS 2 HB3 HIS 2 10.719 -15.721 -11.377 44 H HIS 3 H HIS 3 7.550 -16.009 -12.191 45 HA HIS 3 HA HIS 3 7.898 -18.701 -11.408 46 HD1 HIS 3 HD1 HIS 3 7.892 -20.252 -10.048 47 HD2 HIS 3 HD2 HIS 3 3.765 -19.926 -9.702 48 HE1 HIS 3 HE1 HIS 3 7.099 -22.519 -9.305 49 HB2 HIS 3 HB2 HIS 3 6.343 -17.590 -9.590 50 HB3 HIS 3 HB3 HIS 3 5.103 -17.816 -10.820 51 H HIS 4 H HIS 4 6.322 -20.164 -12.562 52 HA HIS 4 HA HIS 4 5.441 -20.879 -14.535 53 HD1 HIS 4 HD1 HIS 4 3.344 -21.454 -13.200 54 HD2 HIS 4 HD2 HIS 4 2.674 -17.380 -12.741 55 HE1 HIS 4 HE1 HIS 4 1.882 -21.239 -11.165 56 HB2 HIS 4 HB2 HIS 4 4.266 -18.110 -14.784 57 HB3 HIS 4 HB3 HIS 4 3.636 -19.612 -15.454 58 H HIS 5 H HIS 5 8.067 -19.605 -14.551 59 HA HIS 5 HA HIS 5 8.132 -18.394 -17.224 60 HD1 HIS 5 HD1 HIS 5 11.988 -19.653 -15.733 61 HD2 HIS 5 HD2 HIS 5 9.501 -17.928 -12.888 62 HE1 HIS 5 HE1 HIS 5 12.891 -20.402 -13.509 63 HB2 HIS 5 HB2 HIS 5 10.451 -17.730 -16.631 64 HB3 HIS 5 HB3 HIS 5 9.250 -17.087 -15.514 65 H SER 6 H SER 6 7.713 -21.237 -16.812 66 HA SER 6 HA SER 6 10.163 -22.612 -17.357 67 HG SER 6 HG SER 6 9.445 -24.980 -18.226 68 HB2 SER 6 HB2 SER 6 8.562 -23.966 -16.317 69 HB3 SER 6 HB3 SER 6 7.259 -23.390 -17.357 70 H SER 7 H SER 7 10.727 -23.693 -19.309 71 HA SER 7 HA SER 7 10.102 -22.127 -21.660 72 HG SER 7 HG SER 7 12.985 -23.258 -23.171 73 HB2 SER 7 HB2 SER 7 12.420 -23.091 -20.947 74 HB3 SER 7 HB3 SER 7 11.835 -24.580 -21.689 75 H GLY 8 H GLY 8 7.822 -22.799 -21.693 76 HA2 GLY 8 HA2 GLY 8 7.362 -25.552 -22.586 77 HA3 GLY 8 HA3 GLY 8 6.124 -24.398 -22.111 78 H LEU 9 H LEU 9 4.873 -23.833 -23.748 79 HA LEU 9 HA LEU 9 6.090 -23.590 -26.421 80 HG LEU 9 HG LEU 9 5.120 -25.151 -28.101 81 HB2 LEU 9 HB2 LEU 9 4.244 -25.389 -25.821 82 HB3 LEU 9 HB3 LEU 9 3.166 -24.023 -26.096 83 HD11 LEU 9 HD11 LEU 9 2.444 -25.317 -28.971 84 HD12 LEU 9 HD12 LEU 9 2.500 -25.983 -27.340 85 HD13 LEU 9 HD13 LEU 9 3.553 -26.635 -28.595 86 HD21 LEU 9 HD21 LEU 9 4.908 -22.889 -28.632 87 HD22 LEU 9 HD22 LEU 9 3.209 -22.841 -28.164 88 HD23 LEU 9 HD23 LEU 9 3.693 -23.675 -29.641 89 H VAL 10 H VAL 10 3.549 -22.333 -24.284 90 HA VAL 10 HA VAL 10 3.688 -19.784 -25.760 91 HB VAL 10 HB VAL 10 1.493 -20.800 -26.012 92 HG11 VAL 10 HG11 VAL 10 1.900 -21.659 -23.377 93 HG12 VAL 10 HG12 VAL 10 0.522 -20.557 -23.318 94 HG13 VAL 10 HG13 VAL 10 0.492 -21.952 -24.398 95 HG21 VAL 10 HG21 VAL 10 1.532 -18.403 -25.920 96 HG22 VAL 10 HG22 VAL 10 0.114 -18.968 -25.037 97 HG23 VAL 10 HG23 VAL 10 1.542 -18.423 -24.157 98 HA PRO 11 HA PRO 11 5.241 -18.065 -21.992 99 HB2 PRO 11 HB2 PRO 11 4.957 -15.449 -22.660 100 HB3 PRO 11 HB3 PRO 11 6.237 -16.475 -23.319 101 HG2 PRO 11 HG2 PRO 11 3.626 -15.678 -24.549 102 HG3 PRO 11 HG3 PRO 11 5.234 -15.761 -25.292 103 HD2 PRO 11 HD2 PRO 11 3.375 -17.701 -25.623 104 HD3 PRO 11 HD3 PRO 11 5.116 -18.043 -25.591 105 H ARG 12 H ARG 12 2.326 -16.539 -23.376 106 HA ARG 12 HA ARG 12 1.155 -16.533 -20.677 107 HE ARG 12 HE ARG 12 0.573 -11.733 -19.794 108 HB2 ARG 12 HB2 ARG 12 0.829 -14.316 -22.706 109 HB3 ARG 12 HB3 ARG 12 0.172 -14.355 -21.075 110 HG2 ARG 12 HG2 ARG 12 2.489 -14.370 -20.195 111 HG3 ARG 12 HG3 ARG 12 3.075 -14.184 -21.849 112 HD2 ARG 12 HD2 ARG 12 3.037 -11.995 -21.173 113 HD3 ARG 12 HD3 ARG 12 1.422 -12.145 -21.865 114 HH11 ARG 12 HH11 ARG 12 3.827 -12.919 -19.434 115 HH12 ARG 12 HH12 ARG 12 3.855 -12.702 -17.715 116 HH21 ARG 12 HH21 ARG 12 0.598 -11.443 -17.531 117 HH22 ARG 12 HH22 ARG 12 2.018 -11.863 -16.634 118 H GLY 13 H GLY 13 -1.016 -17.005 -20.540 119 HA2 GLY 13 HA2 GLY 13 -2.373 -17.641 -23.085 120 HA3 GLY 13 HA3 GLY 13 -2.420 -18.742 -21.717 121 H SER 14 H SER 14 -3.189 -17.596 -19.614 122 HA SER 14 HA SER 14 -5.694 -16.238 -20.304 123 HG SER 14 HG SER 14 -5.213 -19.254 -18.034 124 HB2 SER 14 HB2 SER 14 -5.167 -17.190 -17.532 125 HB3 SER 14 HB3 SER 14 -6.660 -17.224 -18.470 126 H HIS 15 H HIS 15 -3.008 -14.951 -20.107 127 HA HIS 15 HA HIS 15 -3.326 -13.212 -17.783 128 HD1 HIS 15 HD1 HIS 15 -2.033 -14.178 -16.251 129 HD2 HIS 15 HD2 HIS 15 0.828 -15.143 -19.105 130 HE1 HIS 15 HE1 HIS 15 -0.637 -15.996 -15.216 131 HB2 HIS 15 HB2 HIS 15 -1.127 -13.404 -19.851 132 HB3 HIS 15 HB3 HIS 15 -1.124 -12.281 -18.494 133 H MET 16 H MET 16 -2.385 -12.525 -21.150 134 HA MET 16 HA MET 16 -3.983 -10.072 -21.017 135 HB2 MET 16 HB2 MET 16 -1.840 -10.919 -22.975 136 HB3 MET 16 HB3 MET 16 -2.695 -9.382 -23.017 137 HG2 MET 16 HG2 MET 16 -1.658 -8.610 -21.087 138 HG3 MET 16 HG3 MET 16 -1.181 -10.229 -20.582 139 HE1 MET 16 HE1 MET 16 0.969 -9.655 -19.947 140 HE2 MET 16 HE2 MET 16 2.358 -9.391 -21.002 141 HE3 MET 16 HE3 MET 16 1.348 -8.029 -20.517 142 H SER 17 H SER 17 -5.118 -9.415 -23.037 143 HA SER 17 HA SER 17 -6.061 -11.672 -24.648 144 HG SER 17 HG SER 17 -7.661 -11.411 -21.787 145 HB2 SER 17 HB2 SER 17 -7.843 -9.772 -23.111 146 HB3 SER 17 HB3 SER 17 -8.419 -10.851 -24.382 147 H VAL 18 H VAL 18 -6.630 -11.158 -26.726 148 HA VAL 18 HA VAL 18 -5.652 -8.662 -27.743 149 HB VAL 18 HB VAL 18 -5.458 -10.838 -28.967 150 HG11 VAL 18 HG11 VAL 18 -8.373 -10.410 -29.604 151 HG12 VAL 18 HG12 VAL 18 -7.339 -11.725 -30.166 152 HG13 VAL 18 HG13 VAL 18 -7.769 -11.607 -28.459 153 HG21 VAL 18 HG21 VAL 18 -5.597 -9.858 -31.092 154 HG22 VAL 18 HG22 VAL 18 -6.952 -8.831 -30.625 155 HG23 VAL 18 HG23 VAL 18 -5.338 -8.500 -29.997 156 H ASP 19 H ASP 19 -8.527 -9.519 -26.335 157 HA ASP 19 HA ASP 19 -10.468 -8.301 -27.948 158 HB2 ASP 19 HB2 ASP 19 -10.721 -9.769 -25.810 159 HB3 ASP 19 HB3 ASP 19 -10.629 -8.234 -24.951 160 H ASP 20 H ASP 20 -7.957 -6.945 -26.072 161 HA ASP 20 HA ASP 20 -9.247 -4.314 -26.008 162 HB2 ASP 20 HB2 ASP 20 -7.946 -5.458 -24.020 163 HB3 ASP 20 HB3 ASP 20 -6.533 -4.820 -24.856 164 H ILE 21 H ILE 21 -7.427 -6.067 -28.083 165 HA ILE 21 HA ILE 21 -6.172 -3.650 -29.205 166 HB ILE 21 HB ILE 21 -5.037 -6.448 -29.287 167 HG12 ILE 21 HG12 ILE 21 -4.068 -3.966 -27.852 168 HG13 ILE 21 HG13 ILE 21 -4.798 -5.373 -27.087 169 HG21 ILE 21 HG21 ILE 21 -4.658 -4.254 -31.028 170 HG22 ILE 21 HG22 ILE 21 -3.187 -4.431 -30.072 171 HG23 ILE 21 HG23 ILE 21 -3.800 -5.794 -31.008 172 HD11 ILE 21 HD11 ILE 21 -2.385 -5.386 -26.844 173 HD12 ILE 21 HD12 ILE 21 -2.926 -6.747 -27.827 174 HD13 ILE 21 HD13 ILE 21 -2.197 -5.337 -28.597 175 H ILE 22 H ILE 22 -6.880 -3.153 -31.166 176 HA ILE 22 HA ILE 22 -7.935 -5.310 -32.875 177 HB ILE 22 HB ILE 22 -9.652 -3.843 -33.720 178 HG12 ILE 22 HG12 ILE 22 -8.575 -1.782 -31.783 179 HG13 ILE 22 HG13 ILE 22 -8.411 -1.723 -33.535 180 HG21 ILE 22 HG21 ILE 22 -10.417 -3.237 -31.069 181 HG22 ILE 22 HG22 ILE 22 -10.916 -4.603 -32.065 182 HG23 ILE 22 HG23 ILE 22 -9.501 -4.743 -31.022 183 HD11 ILE 22 HD11 ILE 22 -10.920 -1.695 -33.654 184 HD12 ILE 22 HD12 ILE 22 -10.918 -1.460 -31.907 185 HD13 ILE 22 HD13 ILE 22 -10.167 -0.260 -32.959 186 H ILE 23 H ILE 23 -8.379 -4.046 -35.182 187 HA ILE 23 HA ILE 23 -5.726 -3.554 -36.158 188 HB ILE 23 HB ILE 23 -8.318 -3.242 -37.671 189 HG12 ILE 23 HG12 ILE 23 -6.626 -5.689 -37.151 190 HG13 ILE 23 HG13 ILE 23 -8.329 -5.459 -36.768 191 HG21 ILE 23 HG21 ILE 23 -6.978 -3.585 -39.640 192 HG22 ILE 23 HG22 ILE 23 -6.283 -2.269 -38.695 193 HG23 ILE 23 HG23 ILE 23 -5.540 -3.869 -38.659 194 HD11 ILE 23 HD11 ILE 23 -8.136 -6.897 -38.668 195 HD12 ILE 23 HD12 ILE 23 -8.807 -5.353 -39.192 196 HD13 ILE 23 HD13 ILE 23 -7.112 -5.730 -39.503 197 H LYS 24 H LYS 24 -4.859 -1.670 -36.947 198 HA LYS 24 HA LYS 24 -4.493 0.566 -37.154 199 HB2 LYS 24 HB2 LYS 24 -7.503 0.831 -37.196 200 HB3 LYS 24 HB3 LYS 24 -6.332 1.991 -37.809 201 HG2 LYS 24 HG2 LYS 24 -5.609 -0.074 -39.297 202 HG3 LYS 24 HG3 LYS 24 -7.279 -0.559 -38.989 203 HD2 LYS 24 HD2 LYS 24 -6.558 2.189 -39.979 204 HD3 LYS 24 HD3 LYS 24 -6.845 0.836 -41.076 205 HE2 LYS 24 HE2 LYS 24 -8.806 1.814 -39.005 206 HE3 LYS 24 HE3 LYS 24 -8.842 2.265 -40.709 207 HZ1 LYS 24 HZ1 LYS 24 -9.130 -0.073 -41.275 208 HZ2 LYS 24 HZ2 LYS 24 -10.372 0.463 -40.258 209 HZ3 LYS 24 HZ3 LYS 24 -9.121 -0.490 -39.635 210 H CYS 25 H CYS 25 -4.422 -0.464 -34.586 211 HA CYS 25 HA CYS 25 -5.541 1.751 -32.996 212 HG CYS 25 HG CYS 25 -7.058 -0.267 -30.003 213 HB2 CYS 25 HB2 CYS 25 -5.949 -1.010 -32.670 214 HB3 CYS 25 HB3 CYS 25 -4.835 -0.543 -31.391 215 H GLN 26 H GLN 26 -4.270 2.388 -31.116 216 HA GLN 26 HA GLN 26 -1.429 2.369 -31.752 217 HB2 GLN 26 HB2 GLN 26 -1.252 4.150 -30.075 218 HB3 GLN 26 HB3 GLN 26 -2.486 4.518 -31.272 219 HG2 GLN 26 HG2 GLN 26 -3.983 3.292 -29.396 220 HG3 GLN 26 HG3 GLN 26 -2.732 4.017 -28.387 221 HE21 GLN 26 HE21 GLN 26 -3.545 5.786 -27.520 222 HE22 GLN 26 HE22 GLN 26 -4.422 7.017 -28.357 223 H CYS 27 H CYS 27 -0.014 1.095 -30.766 224 HA CYS 27 HA CYS 27 -0.691 0.029 -28.107 225 HG CYS 27 HG CYS 27 -2.262 -2.466 -28.946 226 HB2 CYS 27 HB2 CYS 27 -0.364 -1.433 -30.521 227 HB3 CYS 27 HB3 CYS 27 1.021 -1.793 -29.498 228 H TRP 28 H TRP 28 0.826 0.290 -26.595 229 HA TRP 28 HA TRP 28 3.215 1.736 -27.214 230 HD1 TRP 28 HD1 TRP 28 0.217 2.725 -24.842 231 HE1 TRP 28 HE1 TRP 28 0.485 5.272 -24.583 232 HE3 TRP 28 HE3 TRP 28 5.308 3.045 -25.186 233 HZ2 TRP 28 HZ2 TRP 28 2.577 7.166 -24.531 234 HZ3 TRP 28 HZ3 TRP 28 6.364 5.262 -25.022 235 HH2 TRP 28 HH2 TRP 28 5.025 7.278 -24.702 236 HB2 TRP 28 HB2 TRP 28 1.909 0.714 -24.737 237 HB3 TRP 28 HB3 TRP 28 3.628 1.090 -24.663 238 H VAL 29 H VAL 29 5.217 1.001 -27.563 239 HA VAL 29 HA VAL 29 5.650 -1.897 -27.434 240 HB VAL 29 HB VAL 29 7.285 0.221 -28.838 241 HG11 VAL 29 HG11 VAL 29 8.701 -1.612 -28.277 242 HG12 VAL 29 HG12 VAL 29 7.488 -2.784 -28.794 243 HG13 VAL 29 HG13 VAL 29 8.295 -1.764 -29.986 244 HG21 VAL 29 HG21 VAL 29 5.091 -0.033 -29.853 245 HG22 VAL 29 HG22 VAL 29 6.334 -0.721 -30.898 246 HG23 VAL 29 HG23 VAL 29 5.309 -1.782 -29.931 247 H GLN 30 H GLN 30 6.573 -2.602 -25.628 248 HA GLN 30 HA GLN 30 8.308 -0.860 -24.078 249 HB2 GLN 30 HB2 GLN 30 8.218 -2.605 -22.377 250 HB3 GLN 30 HB3 GLN 30 6.598 -2.193 -22.923 251 HG2 GLN 30 HG2 GLN 30 6.679 -4.180 -24.425 252 HG3 GLN 30 HG3 GLN 30 8.208 -4.620 -23.667 253 HE21 GLN 30 HE21 GLN 30 7.324 -6.561 -22.922 254 HE22 GLN 30 HE22 GLN 30 6.234 -6.609 -21.583 255 H LYS 31 H LYS 31 10.451 -0.897 -24.175 256 HA LYS 31 HA LYS 31 11.745 -3.111 -25.609 257 HB2 LYS 31 HB2 LYS 31 12.184 -0.221 -25.481 258 HB3 LYS 31 HB3 LYS 31 13.662 -1.152 -25.278 259 HG2 LYS 31 HG2 LYS 31 11.854 -1.906 -27.504 260 HG3 LYS 31 HG3 LYS 31 12.778 -0.410 -27.656 261 HD2 LYS 31 HD2 LYS 31 14.303 -1.853 -28.538 262 HD3 LYS 31 HD3 LYS 31 14.745 -2.003 -26.835 263 HE2 LYS 31 HE2 LYS 31 14.576 -4.196 -27.859 264 HE3 LYS 31 HE3 LYS 31 13.309 -3.986 -26.653 265 HZ1 LYS 31 HZ1 LYS 31 12.462 -3.158 -29.250 266 HZ2 LYS 31 HZ2 LYS 31 11.745 -4.261 -28.186 267 HZ3 LYS 31 HZ3 LYS 31 12.960 -4.775 -29.245 268 H ASN 32 H ASN 32 13.971 -3.677 -24.845 269 HA ASN 32 HA ASN 32 13.952 -4.688 -22.281 270 HB2 ASN 32 HB2 ASN 32 16.324 -3.939 -24.002 271 HB3 ASN 32 HB3 ASN 32 16.432 -4.911 -22.538 272 HD21 ASN 32 HD21 ASN 32 15.739 -7.016 -22.559 273 HD22 ASN 32 HD22 ASN 32 15.322 -7.855 -24.011 274 H ASP 33 H ASP 33 15.527 -1.705 -23.412 275 HA ASP 33 HA ASP 33 15.341 -0.656 -20.681 276 HB2 ASP 33 HB2 ASP 33 17.655 0.399 -21.113 277 HB3 ASP 33 HB3 ASP 33 17.593 -1.305 -20.672 278 H GLU 34 H GLU 34 13.951 -0.241 -23.312 279 HA GLU 34 HA GLU 34 14.172 2.678 -23.318 280 HB2 GLU 34 HB2 GLU 34 14.337 0.897 -25.744 281 HB3 GLU 34 HB3 GLU 34 13.894 2.595 -25.850 282 HG2 GLU 34 HG2 GLU 34 16.044 3.188 -24.798 283 HG3 GLU 34 HG3 GLU 34 16.487 1.482 -24.805 284 H GLU 35 H GLU 35 12.320 3.561 -24.832 285 HA GLU 35 HA GLU 35 9.903 1.932 -24.553 286 HB2 GLU 35 HB2 GLU 35 10.508 4.435 -23.115 287 HB3 GLU 35 HB3 GLU 35 8.925 4.379 -23.878 288 HG2 GLU 35 HG2 GLU 35 8.204 3.301 -22.087 289 HG3 GLU 35 HG3 GLU 35 9.166 1.922 -22.616 290 H ARG 36 H ARG 36 8.721 1.975 -26.347 291 HA ARG 36 HA ARG 36 8.784 4.350 -28.060 292 HE ARG 36 HE ARG 36 13.171 3.693 -30.112 293 HB2 ARG 36 HB2 ARG 36 9.569 1.564 -28.832 294 HB3 ARG 36 HB3 ARG 36 8.818 2.617 -30.023 295 HG2 ARG 36 HG2 ARG 36 10.596 4.277 -29.638 296 HG3 ARG 36 HG3 ARG 36 11.364 3.157 -28.511 297 HD2 ARG 36 HD2 ARG 36 11.593 1.514 -30.318 298 HD3 ARG 36 HD3 ARG 36 10.843 2.650 -31.439 299 HH11 ARG 36 HH11 ARG 36 12.002 1.852 -32.825 300 HH12 ARG 36 HH12 ARG 36 13.390 2.176 -33.810 301 HH21 ARG 36 HH21 ARG 36 15.003 4.127 -31.399 302 HH22 ARG 36 HH22 ARG 36 15.097 3.469 -32.998 303 H LEU 37 H LEU 37 7.143 3.938 -29.965 304 HA LEU 37 HA LEU 37 4.791 2.491 -28.982 305 HG LEU 37 HG LEU 37 3.036 4.483 -30.973 306 HB2 LEU 37 HB2 LEU 37 4.292 4.651 -28.237 307 HB3 LEU 37 HB3 LEU 37 4.959 5.400 -29.687 308 HD11 LEU 37 HD11 LEU 37 1.501 3.123 -30.090 309 HD12 LEU 37 HD12 LEU 37 1.400 4.053 -28.596 310 HD13 LEU 37 HD13 LEU 37 2.675 2.852 -28.802 311 HD21 LEU 37 HD21 LEU 37 2.968 6.562 -28.933 312 HD22 LEU 37 HD22 LEU 37 1.368 5.955 -29.361 313 HD23 LEU 37 HD23 LEU 37 2.430 6.601 -30.613 314 H ALA 38 H ALA 38 3.607 1.514 -30.542 315 HA ALA 38 HA ALA 38 4.094 2.222 -33.343 316 HB1 ALA 38 HB1 ALA 38 4.650 0.059 -34.024 317 HB2 ALA 38 HB2 ALA 38 5.585 0.296 -32.547 318 HB3 ALA 38 HB3 ALA 38 4.103 -0.659 -32.509 319 H GLU 39 H GLU 39 2.480 1.341 -34.817 320 HA GLU 39 HA GLU 39 -0.118 1.051 -33.477 321 HB2 GLU 39 HB2 GLU 39 0.559 2.850 -35.349 322 HB3 GLU 39 HB3 GLU 39 0.032 1.543 -36.401 323 HG2 GLU 39 HG2 GLU 39 -2.140 1.525 -35.395 324 HG3 GLU 39 HG3 GLU 39 -1.630 2.686 -34.170 325 H ILE 40 H ILE 40 -1.708 -0.388 -34.487 326 HA ILE 40 HA ILE 40 -0.413 -2.856 -35.397 327 HB ILE 40 HB ILE 40 -3.208 -2.427 -34.334 328 HG12 ILE 40 HG12 ILE 40 -1.536 -2.115 -32.596 329 HG13 ILE 40 HG13 ILE 40 -2.365 -3.648 -32.348 330 HG21 ILE 40 HG21 ILE 40 -2.395 -5.131 -34.186 331 HG22 ILE 40 HG22 ILE 40 -3.701 -4.432 -35.142 332 HG23 ILE 40 HG23 ILE 40 -2.083 -4.572 -35.829 333 HD11 ILE 40 HD11 ILE 40 0.435 -3.109 -32.772 334 HD12 ILE 40 HD12 ILE 40 -0.359 -4.571 -32.189 335 HD13 ILE 40 HD13 ILE 40 -0.180 -4.296 -33.922 336 H LEU 41 H LEU 41 -0.665 -3.606 -37.402 337 HA LEU 41 HA LEU 41 -2.614 -2.256 -39.144 338 HG LEU 41 HG LEU 41 0.295 -1.273 -39.144 339 HB2 LEU 41 HB2 LEU 41 0.006 -3.608 -39.735 340 HB3 LEU 41 HB3 LEU 41 -1.146 -3.171 -40.995 341 HD11 LEU 41 HD11 LEU 41 0.543 -1.784 -42.105 342 HD12 LEU 41 HD12 LEU 41 1.737 -2.175 -40.867 343 HD13 LEU 41 HD13 LEU 41 1.353 -0.490 -41.220 344 HD21 LEU 41 HD21 LEU 41 -2.146 -0.973 -40.636 345 HD22 LEU 41 HD22 LEU 41 -0.902 0.113 -41.257 346 HD23 LEU 41 HD23 LEU 41 -1.346 0.166 -39.551 347 H SER 42 H SER 42 -1.280 -5.404 -38.257 348 HA SER 42 HA SER 42 -3.776 -6.655 -39.102 349 HG SER 42 HG SER 42 -2.516 -9.382 -40.477 350 HB2 SER 42 HB2 SER 42 -2.027 -6.766 -40.984 351 HB3 SER 42 HB3 SER 42 -1.154 -7.886 -39.939 352 H ILE 43 H ILE 43 -4.032 -8.841 -38.251 353 HA ILE 43 HA ILE 43 -2.244 -9.522 -36.033 354 HB ILE 43 HB ILE 43 -5.245 -9.401 -35.718 355 HG12 ILE 43 HG12 ILE 43 -3.110 -7.590 -34.567 356 HG13 ILE 43 HG13 ILE 43 -4.248 -7.150 -35.836 357 HG21 ILE 43 HG21 ILE 43 -3.132 -9.851 -33.621 358 HG22 ILE 43 HG22 ILE 43 -4.880 -9.993 -33.440 359 HG23 ILE 43 HG23 ILE 43 -3.998 -11.155 -34.432 360 HD11 ILE 43 HD11 ILE 43 -4.597 -7.230 -32.950 361 HD12 ILE 43 HD12 ILE 43 -5.490 -6.337 -34.181 362 HD13 ILE 43 HD13 ILE 43 -5.899 -8.019 -33.839 363 H ASN 44 H ASN 44 -1.982 -11.674 -35.709 364 HA ASN 44 HA ASN 44 -3.361 -13.452 -37.588 365 HB2 ASN 44 HB2 ASN 44 -0.740 -13.241 -37.222 366 HB3 ASN 44 HB3 ASN 44 -1.067 -14.381 -35.920 367 HD21 ASN 44 HD21 ASN 44 0.502 -15.452 -37.581 368 HD22 ASN 44 HD22 ASN 44 -0.269 -16.497 -38.721 369 H THR 45 H THR 45 -4.451 -15.279 -36.934 370 HA THR 45 HA THR 45 -4.717 -15.751 -34.049 371 HB THR 45 HB THR 45 -7.190 -16.121 -34.402 372 HG1 THR 45 HG1 THR 45 -8.094 -15.534 -36.275 373 HG21 THR 45 HG21 THR 45 -6.053 -14.016 -33.449 374 HG22 THR 45 HG22 THR 45 -7.734 -13.887 -33.962 375 HG23 THR 45 HG23 THR 45 -6.446 -13.273 -34.999 376 H ARG 46 H ARG 46 -3.390 -17.120 -36.361 377 HA ARG 46 HA ARG 46 -4.916 -19.542 -36.750 378 HE ARG 46 HE ARG 46 -0.778 -20.964 -38.850 379 HB2 ARG 46 HB2 ARG 46 -3.265 -18.410 -38.406 380 HB3 ARG 46 HB3 ARG 46 -2.018 -19.219 -37.466 381 HG2 ARG 46 HG2 ARG 46 -2.914 -21.369 -38.000 382 HG3 ARG 46 HG3 ARG 46 -4.331 -20.642 -38.761 383 HD2 ARG 46 HD2 ARG 46 -2.923 -21.256 -40.539 384 HD3 ARG 46 HD3 ARG 46 -2.703 -19.516 -40.356 385 HH11 ARG 46 HH11 ARG 46 -1.586 -19.957 -42.083 386 HH12 ARG 46 HH12 ARG 46 0.056 -19.972 -42.638 387 HH21 ARG 46 HH21 ARG 46 1.387 -20.988 -39.568 388 HH22 ARG 46 HH22 ARG 46 1.746 -20.560 -41.207 389 H LYS 47 H LYS 47 -1.740 -18.792 -35.306 390 HA LYS 47 HA LYS 47 -2.121 -21.105 -33.519 391 HB2 LYS 47 HB2 LYS 47 0.468 -20.104 -34.719 392 HB3 LYS 47 HB3 LYS 47 0.335 -21.403 -33.541 393 HG2 LYS 47 HG2 LYS 47 -0.945 -22.731 -35.127 394 HG3 LYS 47 HG3 LYS 47 -0.859 -21.422 -36.307 395 HD2 LYS 47 HD2 LYS 47 1.675 -21.620 -36.092 396 HD3 LYS 47 HD3 LYS 47 1.371 -23.146 -35.258 397 HE2 LYS 47 HE2 LYS 47 0.070 -22.644 -37.895 398 HE3 LYS 47 HE3 LYS 47 1.778 -23.080 -37.852 399 HZ1 LYS 47 HZ1 LYS 47 1.312 -25.177 -37.257 400 HZ2 LYS 47 HZ2 LYS 47 -0.222 -24.851 -37.892 401 HZ3 LYS 47 HZ3 LYS 47 0.046 -24.734 -36.226 402 H ALA 48 H ALA 48 -1.183 -20.931 -31.412 403 HA ALA 48 HA ALA 48 -1.009 -18.144 -30.497 404 HB1 ALA 48 HB1 ALA 48 -2.596 -18.930 -29.114 405 HB2 ALA 48 HB2 ALA 48 -2.111 -20.611 -29.344 406 HB3 ALA 48 HB3 ALA 48 -1.227 -19.585 -28.214 407 HA PRO 49 HA PRO 49 -0.526 -17.317 -28.354 408 HB2 PRO 49 HB2 PRO 49 1.225 -15.260 -28.079 409 HB3 PRO 49 HB3 PRO 49 1.065 -16.552 -26.883 410 HG2 PRO 49 HG2 PRO 49 3.101 -16.221 -29.053 411 HG3 PRO 49 HG3 PRO 49 3.332 -16.728 -27.369 412 HD2 PRO 49 HD2 PRO 49 3.252 -18.490 -29.424 413 HD3 PRO 49 HD3 PRO 49 2.664 -18.892 -27.798 414 HA PRO 50 HA PRO 50 -1.494 -15.007 -31.969 415 HB2 PRO 50 HB2 PRO 50 -2.504 -12.715 -30.921 416 HB3 PRO 50 HB3 PRO 50 -3.365 -14.258 -30.865 417 HG2 PRO 50 HG2 PRO 50 -1.736 -12.920 -28.740 418 HG3 PRO 50 HG3 PRO 50 -3.296 -13.750 -28.597 419 HD2 PRO 50 HD2 PRO 50 -0.955 -14.921 -27.907 420 HD3 PRO 50 HD3 PRO 50 -2.324 -15.839 -28.565 421 H LYS 51 H LYS 51 -0.731 -13.417 -33.346 422 HA LYS 51 HA LYS 51 1.594 -11.902 -32.359 423 HB2 LYS 51 HB2 LYS 51 1.034 -12.575 -35.242 424 HB3 LYS 51 HB3 LYS 51 2.548 -12.037 -34.528 425 HG2 LYS 51 HG2 LYS 51 1.233 -14.680 -33.942 426 HG3 LYS 51 HG3 LYS 51 2.522 -14.436 -35.123 427 HD2 LYS 51 HD2 LYS 51 4.072 -13.822 -33.436 428 HD3 LYS 51 HD3 LYS 51 2.799 -13.678 -32.222 429 HE2 LYS 51 HE2 LYS 51 3.725 -15.726 -31.700 430 HE3 LYS 51 HE3 LYS 51 2.384 -16.191 -32.745 431 HZ1 LYS 51 HZ1 LYS 51 3.923 -16.358 -34.595 432 HZ2 LYS 51 HZ2 LYS 51 4.420 -17.360 -33.325 433 HZ3 LYS 51 HZ3 LYS 51 5.212 -15.892 -33.604 434 H PHE 52 H PHE 52 2.019 -9.856 -33.640 435 HA PHE 52 HA PHE 52 -0.391 -8.548 -34.626 436 HD1 PHE 52 HD1 PHE 52 -2.331 -8.172 -32.686 437 HD2 PHE 52 HD2 PHE 52 1.349 -8.621 -30.594 438 HE1 PHE 52 HE1 PHE 52 -3.500 -9.393 -30.898 439 HE2 PHE 52 HE2 PHE 52 0.186 -9.844 -28.803 440 HZ PHE 52 HZ PHE 52 -2.242 -10.230 -28.953 441 HB2 PHE 52 HB2 PHE 52 1.248 -7.234 -32.461 442 HB3 PHE 52 HB3 PHE 52 -0.300 -6.710 -33.115 443 H TYR 53 H TYR 53 0.006 -7.033 -36.162 444 HA TYR 53 HA TYR 53 2.754 -6.804 -37.082 445 HD1 TYR 53 HD1 TYR 53 3.460 -5.007 -38.916 446 HD2 TYR 53 HD2 TYR 53 0.973 -8.123 -40.403 447 HE1 TYR 53 HE1 TYR 53 5.038 -5.377 -40.766 448 HE2 TYR 53 HE2 TYR 53 2.545 -8.502 -42.256 449 HH TYR 53 HH TYR 53 5.561 -6.649 -42.514 450 HB2 TYR 53 HB2 TYR 53 0.396 -7.092 -38.423 451 HB3 TYR 53 HB3 TYR 53 0.652 -5.356 -38.554 452 H VAL 54 H VAL 54 3.922 -5.297 -36.067 453 HA VAL 54 HA VAL 54 2.716 -2.804 -35.194 454 HB VAL 54 HB VAL 54 4.988 -2.297 -34.303 455 HG11 VAL 54 HG11 VAL 54 4.687 -4.868 -33.074 456 HG12 VAL 54 HG12 VAL 54 4.276 -3.273 -32.440 457 HG13 VAL 54 HG13 VAL 54 3.099 -4.172 -33.399 458 HG21 VAL 54 HG21 VAL 54 6.710 -3.981 -34.326 459 HG22 VAL 54 HG22 VAL 54 5.658 -5.099 -35.194 460 HG23 VAL 54 HG23 VAL 54 6.232 -3.632 -35.987 461 H HIS 55 H HIS 55 3.048 -0.822 -36.071 462 HA HIS 55 HA HIS 55 4.892 -0.601 -38.346 463 HD1 HIS 55 HD1 HIS 55 3.784 -0.028 -41.486 464 HD2 HIS 55 HD2 HIS 55 2.699 2.993 -38.849 465 HE1 HIS 55 HE1 HIS 55 4.060 2.116 -42.770 466 HB2 HIS 55 HB2 HIS 55 2.742 -0.906 -39.367 467 HB3 HIS 55 HB3 HIS 55 1.998 0.265 -38.281 468 H TYR 56 H TYR 56 5.764 1.458 -38.699 469 HA TYR 56 HA TYR 56 5.598 3.221 -36.364 470 HD1 TYR 56 HD1 TYR 56 6.999 5.865 -37.060 471 HD2 TYR 56 HD2 TYR 56 9.220 2.505 -35.686 472 HE1 TYR 56 HE1 TYR 56 8.063 7.275 -35.348 473 HE2 TYR 56 HE2 TYR 56 10.289 3.906 -33.970 474 HH TYR 56 HH TYR 56 9.663 7.386 -33.789 475 HB2 TYR 56 HB2 TYR 56 7.800 2.231 -37.473 476 HB3 TYR 56 HB3 TYR 56 7.621 3.638 -38.516 477 H VAL 57 H VAL 57 4.428 5.008 -36.488 478 HA VAL 57 HA VAL 57 3.329 5.920 -38.973 479 HB VAL 57 HB VAL 57 2.282 7.700 -37.628 480 HG11 VAL 57 HG11 VAL 57 1.577 5.631 -35.814 481 HG12 VAL 57 HG12 VAL 57 0.698 6.195 -37.237 482 HG13 VAL 57 HG13 VAL 57 1.887 4.901 -37.389 483 HG21 VAL 57 HG21 VAL 57 3.512 8.391 -35.877 484 HG22 VAL 57 HG22 VAL 57 2.696 7.087 -35.014 485 HG23 VAL 57 HG23 VAL 57 4.305 6.827 -35.687 486 H ASN 58 H ASN 58 4.034 7.490 -40.279 487 HA ASN 58 HA ASN 58 5.324 9.142 -41.163 488 HB2 ASN 58 HB2 ASN 58 5.950 10.025 -38.349 489 HB3 ASN 58 HB3 ASN 58 5.862 11.010 -39.806 490 HD21 ASN 58 HD21 ASN 58 4.471 11.191 -37.200 491 HD22 ASN 58 HD22 ASN 58 2.788 11.229 -37.586 492 H TYR 59 H TYR 59 6.578 6.790 -41.123 493 HA TYR 59 HA TYR 59 9.342 7.545 -40.980 494 HD1 TYR 59 HD1 TYR 59 10.446 8.376 -38.765 495 HD2 TYR 59 HD2 TYR 59 10.905 4.178 -39.288 496 HE1 TYR 59 HE1 TYR 59 12.838 8.577 -38.229 497 HE2 TYR 59 HE2 TYR 59 13.298 4.367 -38.753 498 HH TYR 59 HH TYR 59 14.705 6.281 -37.265 499 HB2 TYR 59 HB2 TYR 59 8.481 6.652 -38.619 500 HB3 TYR 59 HB3 TYR 59 8.777 5.094 -39.383 501 H ASN 60 H ASN 60 10.746 5.519 -41.511 502 HA ASN 60 HA ASN 60 10.061 4.596 -44.024 503 HB2 ASN 60 HB2 ASN 60 12.052 3.767 -41.969 504 HB3 ASN 60 HB3 ASN 60 11.760 2.665 -43.311 505 HD21 ASN 60 HD21 ASN 60 12.121 3.433 -45.456 506 HD22 ASN 60 HD22 ASN 60 13.250 4.709 -45.744 507 H LYS 61 H LYS 61 9.901 2.189 -44.607 508 HA LYS 61 HA LYS 61 7.699 1.052 -43.036 509 HB2 LYS 61 HB2 LYS 61 7.385 1.548 -45.488 510 HB3 LYS 61 HB3 LYS 61 8.566 0.290 -45.827 511 HG2 LYS 61 HG2 LYS 61 7.154 -1.396 -44.931 512 HG3 LYS 61 HG3 LYS 61 6.040 -0.196 -44.271 513 HD2 LYS 61 HD2 LYS 61 6.603 -0.460 -47.217 514 HD3 LYS 61 HD3 LYS 61 5.309 -1.345 -46.406 515 HE2 LYS 61 HE2 LYS 61 4.744 1.102 -45.518 516 HE3 LYS 61 HE3 LYS 61 5.548 1.547 -47.022 517 HZ1 LYS 61 HZ1 LYS 61 3.906 -0.394 -47.850 518 HZ2 LYS 61 HZ2 LYS 61 3.516 1.252 -47.883 519 HZ3 LYS 61 HZ3 LYS 61 2.980 0.282 -46.606 520 H ARG 62 H ARG 62 10.958 0.486 -44.038 521 HA ARG 62 HA ARG 62 11.202 -2.257 -43.872 522 HE ARG 62 HE ARG 62 13.902 1.783 -44.556 523 HB2 ARG 62 HB2 ARG 62 13.548 -1.886 -43.301 524 HB3 ARG 62 HB3 ARG 62 13.029 -0.773 -44.559 525 HG2 ARG 62 HG2 ARG 62 12.730 0.969 -42.811 526 HG3 ARG 62 HG3 ARG 62 13.423 -0.156 -41.641 527 HD2 ARG 62 HD2 ARG 62 15.278 1.061 -42.251 528 HD3 ARG 62 HD3 ARG 62 15.374 -0.300 -43.369 529 HH11 ARG 62 HH11 ARG 62 17.154 0.980 -43.606 530 HH12 ARG 62 HH12 ARG 62 17.892 1.971 -44.820 531 HH21 ARG 62 HH21 ARG 62 14.862 3.092 -46.158 532 HH22 ARG 62 HH22 ARG 62 16.588 3.173 -46.270 533 H LEU 63 H LEU 63 10.811 0.078 -41.310 534 HA LEU 63 HA LEU 63 11.532 -1.715 -39.191 535 HG LEU 63 HG LEU 63 12.798 0.848 -39.237 536 HB2 LEU 63 HB2 LEU 63 10.355 1.015 -39.375 537 HB3 LEU 63 HB3 LEU 63 10.211 0.130 -37.858 538 HD11 LEU 63 HD11 LEU 63 11.306 2.648 -38.065 539 HD12 LEU 63 HD12 LEU 63 13.045 2.599 -37.777 540 HD13 LEU 63 HD13 LEU 63 11.935 1.912 -36.591 541 HD21 LEU 63 HD21 LEU 63 12.116 -0.918 -36.980 542 HD22 LEU 63 HD22 LEU 63 13.456 0.195 -36.706 543 HD23 LEU 63 HD23 LEU 63 13.512 -0.936 -38.059 544 H ASP 64 H ASP 64 8.556 -0.736 -40.775 545 HA ASP 64 HA ASP 64 6.719 -1.794 -38.943 546 HB2 ASP 64 HB2 ASP 64 5.801 -0.392 -40.581 547 HB3 ASP 64 HB3 ASP 64 6.609 -1.243 -41.895 548 H GLU 65 H GLU 65 7.006 -3.812 -38.179 549 HA GLU 65 HA GLU 65 6.839 -6.004 -40.115 550 HB2 GLU 65 HB2 GLU 65 8.578 -7.265 -39.051 551 HB3 GLU 65 HB3 GLU 65 9.226 -5.681 -39.451 552 HG2 GLU 65 HG2 GLU 65 8.737 -5.003 -37.080 553 HG3 GLU 65 HG3 GLU 65 8.391 -6.700 -36.752 554 H TRP 66 H TRP 66 6.717 -8.163 -38.643 555 HA TRP 66 HA TRP 66 4.529 -7.642 -36.743 556 HD1 TRP 66 HD1 TRP 66 6.305 -9.709 -40.100 557 HE1 TRP 66 HE1 TRP 66 7.351 -12.053 -40.282 558 HE3 TRP 66 HE3 TRP 66 3.931 -11.965 -36.174 559 HZ2 TRP 66 HZ2 TRP 66 7.190 -14.531 -38.941 560 HZ3 TRP 66 HZ3 TRP 66 4.433 -14.325 -35.691 561 HH2 TRP 66 HH2 TRP 66 6.029 -15.580 -37.047 562 HB2 TRP 66 HB2 TRP 66 3.635 -9.807 -37.298 563 HB3 TRP 66 HB3 TRP 66 3.958 -8.947 -38.801 564 H ILE 67 H ILE 67 4.607 -8.460 -34.709 565 HA ILE 67 HA ILE 67 6.823 -10.253 -34.011 566 HB ILE 67 HB ILE 67 7.138 -8.924 -31.889 567 HG12 ILE 67 HG12 ILE 67 5.607 -6.840 -33.463 568 HG13 ILE 67 HG13 ILE 67 5.046 -7.639 -31.998 569 HG21 ILE 67 HG21 ILE 67 7.819 -7.518 -34.468 570 HG22 ILE 67 HG22 ILE 67 8.635 -7.313 -32.919 571 HG23 ILE 67 HG23 ILE 67 8.721 -8.859 -33.764 572 HD11 ILE 67 HD11 ILE 67 6.970 -5.441 -32.344 573 HD12 ILE 67 HD12 ILE 67 5.832 -5.766 -31.037 574 HD13 ILE 67 HD13 ILE 67 7.366 -6.635 -31.108 575 H THR 68 H THR 68 6.522 -10.744 -31.477 576 HA THR 68 HA THR 68 3.784 -11.771 -31.254 577 HB THR 68 HB THR 68 4.603 -13.417 -29.740 578 HG1 THR 68 HG1 THR 68 6.620 -13.313 -28.817 579 HG21 THR 68 HG21 THR 68 5.500 -14.632 -31.380 580 HG22 THR 68 HG22 THR 68 6.975 -13.666 -31.357 581 HG23 THR 68 HG23 THR 68 5.604 -13.159 -32.344 582 H THR 69 H THR 69 3.479 -12.201 -28.624 583 HA THR 69 HA THR 69 2.921 -9.575 -27.625 584 HB THR 69 HB THR 69 1.439 -11.554 -27.227 585 HG1 THR 69 HG1 THR 69 2.433 -10.052 -25.025 586 HG21 THR 69 HG21 THR 69 3.553 -12.976 -26.597 587 HG22 THR 69 HG22 THR 69 2.002 -13.292 -25.821 588 HG23 THR 69 HG23 THR 69 3.235 -12.352 -24.979 589 H ASP 70 H ASP 70 5.532 -11.771 -27.335 590 HA ASP 70 HA ASP 70 6.548 -11.280 -24.816 591 HB2 ASP 70 HB2 ASP 70 7.506 -12.917 -26.389 592 HB3 ASP 70 HB3 ASP 70 8.123 -11.598 -27.380 593 H ARG 71 H ARG 71 6.517 -9.210 -27.617 594 HA ARG 71 HA ARG 71 8.154 -7.226 -26.193 595 HE ARG 71 HE ARG 71 10.055 -8.356 -26.153 596 HB2 ARG 71 HB2 ARG 71 7.395 -7.356 -29.117 597 HB3 ARG 71 HB3 ARG 71 8.418 -6.130 -28.381 598 HG2 ARG 71 HG2 ARG 71 9.164 -9.006 -28.135 599 HG3 ARG 71 HG3 ARG 71 9.478 -8.142 -29.641 600 HD2 ARG 71 HD2 ARG 71 11.438 -7.726 -28.551 601 HD3 ARG 71 HD3 ARG 71 10.491 -6.351 -27.985 602 HH11 ARG 71 HH11 ARG 71 12.810 -6.620 -27.385 603 HH12 ARG 71 HH12 ARG 71 13.719 -6.759 -25.916 604 HH21 ARG 71 HH21 ARG 71 11.241 -8.545 -24.214 605 HH22 ARG 71 HH22 ARG 71 12.825 -7.855 -24.114 606 H ILE 72 H ILE 72 4.991 -7.892 -27.422 607 HA ILE 72 HA ILE 72 4.138 -5.127 -26.930 608 HB ILE 72 HB ILE 72 2.658 -7.392 -28.273 609 HG12 ILE 72 HG12 ILE 72 3.608 -4.859 -29.584 610 HG13 ILE 72 HG13 ILE 72 4.683 -6.243 -29.423 611 HG21 ILE 72 HG21 ILE 72 1.522 -4.876 -28.868 612 HG22 ILE 72 HG22 ILE 72 0.803 -6.214 -27.973 613 HG23 ILE 72 HG23 ILE 72 1.708 -4.966 -27.117 614 HD11 ILE 72 HD11 ILE 72 3.131 -7.614 -30.689 615 HD12 ILE 72 HD12 ILE 72 2.019 -6.252 -30.820 616 HD13 ILE 72 HD13 ILE 72 3.598 -6.180 -31.602 617 H ASN 73 H ASN 73 3.336 -4.684 -24.995 618 HA ASN 73 HA ASN 73 2.043 -6.840 -23.468 619 HB2 ASN 73 HB2 ASN 73 4.112 -5.533 -22.578 620 HB3 ASN 73 HB3 ASN 73 2.954 -4.246 -22.258 621 HD21 ASN 73 HD21 ASN 73 1.074 -4.828 -20.933 622 HD22 ASN 73 HD22 ASN 73 1.292 -5.975 -19.659 623 H LEU 74 H LEU 74 -0.073 -6.736 -23.099 624 HA LEU 74 HA LEU 74 -1.773 -4.901 -24.267 625 HG LEU 74 HG LEU 74 -3.857 -7.800 -23.427 626 HB2 LEU 74 HB2 LEU 74 -2.011 -6.967 -22.183 627 HB3 LEU 74 HB3 LEU 74 -3.266 -5.730 -22.169 628 HD11 LEU 74 HD11 LEU 74 -4.761 -6.608 -25.383 629 HD12 LEU 74 HD12 LEU 74 -3.743 -5.224 -24.988 630 HD13 LEU 74 HD13 LEU 74 -5.015 -5.727 -23.876 631 HD21 LEU 74 HD21 LEU 74 -1.490 -8.048 -24.344 632 HD22 LEU 74 HD22 LEU 74 -1.950 -6.830 -25.534 633 HD23 LEU 74 HD23 LEU 74 -2.824 -8.361 -25.456 634 H ASP 75 H ASP 75 -3.404 -3.530 -22.997 635 HA ASP 75 HA ASP 75 -1.867 -1.731 -21.265 636 HB2 ASP 75 HB2 ASP 75 -3.018 -0.873 -23.356 637 HB3 ASP 75 HB3 ASP 75 -4.548 -1.183 -22.541 638 H LYS 76 H LYS 76 -5.083 -3.242 -21.467 639 HA LYS 76 HA LYS 76 -6.001 -2.440 -18.946 640 HB2 LYS 76 HB2 LYS 76 -6.697 -4.811 -20.676 641 HB3 LYS 76 HB3 LYS 76 -7.526 -4.465 -19.164 642 HG2 LYS 76 HG2 LYS 76 -7.391 -2.631 -21.549 643 HG3 LYS 76 HG3 LYS 76 -8.769 -3.635 -21.090 644 HD2 LYS 76 HD2 LYS 76 -8.466 -2.348 -18.793 645 HD3 LYS 76 HD3 LYS 76 -7.728 -1.141 -19.848 646 HE2 LYS 76 HE2 LYS 76 -10.358 -2.324 -20.607 647 HE3 LYS 76 HE3 LYS 76 -10.305 -1.099 -19.341 648 HZ1 LYS 76 HZ1 LYS 76 -8.770 -0.026 -21.292 649 HZ2 LYS 76 HZ2 LYS 76 -10.398 0.343 -21.020 650 HZ3 LYS 76 HZ3 LYS 76 -9.975 -0.811 -22.181 651 H GLU 77 H GLU 77 -6.328 -3.769 -17.027 652 HA GLU 77 HA GLU 77 -3.925 -4.900 -16.093 653 HB2 GLU 77 HB2 GLU 77 -5.206 -5.520 -14.098 654 HB3 GLU 77 HB3 GLU 77 -5.551 -3.868 -14.591 655 HG2 GLU 77 HG2 GLU 77 -7.333 -6.009 -15.604 656 HG3 GLU 77 HG3 GLU 77 -7.456 -5.568 -13.902 657 H VAL 78 H VAL 78 -3.324 -7.016 -15.678 658 HA VAL 78 HA VAL 78 -4.023 -8.962 -17.541 659 HB VAL 78 HB VAL 78 -1.925 -9.084 -16.339 660 HG11 VAL 78 HG11 VAL 78 -1.738 -9.557 -14.018 661 HG12 VAL 78 HG12 VAL 78 -2.876 -8.217 -14.178 662 HG13 VAL 78 HG13 VAL 78 -3.471 -9.849 -13.872 663 HG21 VAL 78 HG21 VAL 78 -2.945 -11.163 -17.234 664 HG22 VAL 78 HG22 VAL 78 -1.869 -11.443 -15.865 665 HG23 VAL 78 HG23 VAL 78 -3.617 -11.480 -15.635 666 H LEU 79 H LEU 79 -5.662 -10.345 -17.711 667 HA LEU 79 HA LEU 79 -7.774 -10.327 -15.771 668 HG LEU 79 HG LEU 79 -8.533 -9.320 -17.949 669 HB2 LEU 79 HB2 LEU 79 -7.311 -11.628 -18.413 670 HB3 LEU 79 HB3 LEU 79 -8.598 -12.237 -17.374 671 HD11 LEU 79 HD11 LEU 79 -9.525 -11.375 -19.920 672 HD12 LEU 79 HD12 LEU 79 -8.114 -10.339 -20.136 673 HD13 LEU 79 HD13 LEU 79 -9.725 -9.626 -20.043 674 HD21 LEU 79 HD21 LEU 79 -10.216 -10.107 -16.455 675 HD22 LEU 79 HD22 LEU 79 -10.669 -11.407 -17.556 676 HD23 LEU 79 HD23 LEU 79 -11.003 -9.730 -17.988 677 H TYR 80 H TYR 80 -7.904 -11.568 -14.032 678 HA TYR 80 HA TYR 80 -6.447 -14.130 -14.020 679 HD1 TYR 80 HD1 TYR 80 -4.787 -15.171 -12.383 680 HD2 TYR 80 HD2 TYR 80 -4.641 -10.922 -12.218 681 HE1 TYR 80 HE1 TYR 80 -2.333 -15.256 -12.519 682 HE2 TYR 80 HE2 TYR 80 -2.186 -10.996 -12.354 683 HH TYR 80 HH TYR 80 -0.411 -12.351 -12.888 684 HB2 TYR 80 HB2 TYR 80 -6.683 -11.975 -11.992 685 HB3 TYR 80 HB3 TYR 80 -6.705 -13.630 -11.393 686 HA PRO 81 HA PRO 81 -10.888 -15.236 -13.669 687 HB2 PRO 81 HB2 PRO 81 -10.616 -17.590 -14.993 688 HB3 PRO 81 HB3 PRO 81 -10.844 -16.044 -15.819 689 HG2 PRO 81 HG2 PRO 81 -8.319 -17.576 -15.332 690 HG3 PRO 81 HG3 PRO 81 -8.853 -16.738 -16.800 691 HD2 PRO 81 HD2 PRO 81 -7.062 -15.662 -15.077 692 HD3 PRO 81 HD3 PRO 81 -8.206 -14.672 -16.007 693 H LYS 82 H LYS 82 -11.772 -16.442 -12.084 694 HA LYS 82 HA LYS 82 -10.019 -18.360 -10.693 695 HB2 LYS 82 HB2 LYS 82 -11.345 -17.858 -8.659 696 HB3 LYS 82 HB3 LYS 82 -10.493 -16.452 -9.285 697 HG2 LYS 82 HG2 LYS 82 -13.289 -16.877 -10.175 698 HG3 LYS 82 HG3 LYS 82 -13.020 -16.344 -8.514 699 HD2 LYS 82 HD2 LYS 82 -11.349 -14.695 -9.900 700 HD3 LYS 82 HD3 LYS 82 -12.679 -14.895 -11.043 701 HE2 LYS 82 HE2 LYS 82 -13.240 -13.018 -9.733 702 HE3 LYS 82 HE3 LYS 82 -14.230 -14.340 -9.117 703 HZ1 LYS 82 HZ1 LYS 82 -12.523 -12.724 -7.672 704 HZ2 LYS 82 HZ2 LYS 82 -11.754 -14.229 -7.745 705 HZ3 LYS 82 HZ3 LYS 82 -13.322 -14.110 -7.124 706 H LEU 83 H LEU 83 -11.144 -19.564 -12.680 707 HA LEU 83 HA LEU 83 -13.748 -20.627 -11.890 708 HG LEU 83 HG LEU 83 -10.938 -20.920 -14.250 709 HB2 LEU 83 HB2 LEU 83 -13.809 -21.651 -14.074 710 HB3 LEU 83 HB3 LEU 83 -13.413 -19.939 -14.216 711 HD11 LEU 83 HD11 LEU 83 -11.333 -22.986 -15.909 712 HD12 LEU 83 HD12 LEU 83 -12.707 -23.211 -14.827 713 HD13 LEU 83 HD13 LEU 83 -11.069 -23.172 -14.175 714 HD21 LEU 83 HD21 LEU 83 -12.164 -21.288 -16.864 715 HD22 LEU 83 HD22 LEU 83 -10.957 -20.117 -16.332 716 HD23 LEU 83 HD23 LEU 83 -12.672 -19.797 -16.068 717 H LYS 84 H LYS 84 -14.134 -22.839 -11.583 718 HA LYS 84 HA LYS 84 -11.797 -24.315 -10.630 719 HB2 LYS 84 HB2 LYS 84 -14.749 -24.872 -10.283 720 HB3 LYS 84 HB3 LYS 84 -13.447 -25.803 -9.554 721 HG2 LYS 84 HG2 LYS 84 -13.537 -22.878 -9.044 722 HG3 LYS 84 HG3 LYS 84 -14.711 -23.913 -8.227 723 HD2 LYS 84 HD2 LYS 84 -11.737 -24.404 -8.190 724 HD3 LYS 84 HD3 LYS 84 -12.594 -23.492 -6.946 725 HE2 LYS 84 HE2 LYS 84 -14.099 -25.572 -6.763 726 HE3 LYS 84 HE3 LYS 84 -12.815 -26.402 -7.640 727 HZ1 LYS 84 HZ1 LYS 84 -12.358 -24.888 -5.132 728 HZ2 LYS 84 HZ2 LYS 84 -11.282 -25.933 -5.914 729 HZ3 LYS 84 HZ3 LYS 84 -12.671 -26.550 -5.171 730 H ALA 85 H ALA 85 -11.010 -24.833 -12.754 731 HA ALA 85 HA ALA 85 -12.436 -26.179 -14.734 732 HB1 ALA 85 HB1 ALA 85 -9.759 -25.416 -14.288 733 HB2 ALA 85 HB2 ALA 85 -9.745 -27.134 -14.687 734 HB3 ALA 85 HB3 ALA 85 -10.496 -25.980 -15.789 735 H THR 86 H THR 86 -12.327 -28.430 -15.378 736 HA THR 86 HA THR 86 -12.855 -30.183 -13.165 737 HB THR 86 HB THR 86 -12.968 -31.899 -15.170 738 HG1 THR 86 HG1 THR 86 -13.757 -30.446 -17.022 739 HG21 THR 86 HG21 THR 86 -15.099 -29.819 -15.269 740 HG22 THR 86 HG22 THR 86 -14.818 -30.664 -13.747 741 HG23 THR 86 HG23 THR 86 -15.240 -31.576 -15.197 742 H ASP 87 H ASP 87 -11.249 -31.063 -12.041 743 HA ASP 87 HA ASP 87 -8.824 -31.918 -13.477 744 HB2 ASP 87 HB2 ASP 87 -9.044 -31.490 -10.500 745 HB3 ASP 87 HB3 ASP 87 -7.583 -31.610 -11.476 746 H GLU 88 H GLU 88 -8.137 -33.998 -13.354 747 HA GLU 88 HA GLU 88 -9.059 -35.851 -11.399 748 HB2 GLU 88 HB2 GLU 88 -10.982 -35.489 -13.178 749 HB3 GLU 88 HB3 GLU 88 -10.003 -36.593 -14.134 750 HG2 GLU 88 HG2 GLU 88 -11.461 -38.022 -13.082 751 HG3 GLU 88 HG3 GLU 88 -10.055 -38.084 -12.021 752 H ASP 89 H ASP 89 -7.699 -37.549 -11.265 753 HA ASP 89 HA ASP 89 -5.679 -37.808 -13.391 754 HB2 ASP 89 HB2 ASP 89 -4.881 -37.118 -11.112 755 HB3 ASP 89 HB3 ASP 89 -5.428 -38.680 -10.507 Start of MODEL 17 1 HA MET -4 HA MET -4 5.520 -32.534 -6.359 2 H1 MET -4 H1 MET -4 4.799 -33.964 -3.885 3 HB2 MET -4 HB2 MET -4 6.929 -34.726 -4.874 4 HB3 MET -4 HB3 MET -4 7.160 -34.545 -6.608 5 HG2 MET -4 HG2 MET -4 7.875 -32.206 -6.217 6 HG3 MET -4 HG3 MET -4 7.761 -32.503 -4.484 7 HE1 MET -4 HE1 MET -4 11.296 -31.919 -5.582 8 HE2 MET -4 HE2 MET -4 9.876 -31.373 -4.689 9 HE3 MET -4 HE3 MET -4 11.038 -32.454 -3.921 10 H GLY -3 H GLY -3 3.470 -32.948 -7.280 11 HA2 GLY -3 HA2 GLY -3 3.152 -35.743 -8.164 12 HA3 GLY -3 HA3 GLY -3 1.771 -34.833 -7.571 13 H SER -2 H SER -2 0.845 -35.343 -9.679 14 HA SER -2 HA SER -2 2.000 -33.960 -11.964 15 HG SER -2 HG SER -2 1.436 -35.540 -13.912 16 HB2 SER -2 HB2 SER -2 0.856 -36.311 -11.962 17 HB3 SER -2 HB3 SER -2 -0.643 -35.384 -12.025 18 H SER -1 H SER -1 0.318 -32.935 -9.435 19 HA SER -1 HA SER -1 -0.851 -30.727 -10.915 20 HG SER -1 HG SER -1 -2.911 -33.013 -8.467 21 HB2 SER -1 HB2 SER -1 -2.953 -31.095 -9.306 22 HB3 SER -1 HB3 SER -1 -2.862 -31.831 -10.906 23 H HIS 0 H HIS 0 -1.462 -28.931 -9.524 24 HA HIS 0 HA HIS 0 -0.341 -29.046 -6.816 25 HD1 HIS 0 HD1 HIS 0 1.746 -29.400 -9.696 26 HD2 HIS 0 HD2 HIS 0 2.944 -27.475 -6.215 27 HE1 HIS 0 HE1 HIS 0 4.051 -30.277 -9.202 28 HB2 HIS 0 HB2 HIS 0 0.407 -27.115 -8.999 29 HB3 HIS 0 HB3 HIS 0 0.587 -26.687 -7.300 30 H HIS 1 H HIS 1 -0.770 -26.682 -5.812 31 HA HIS 1 HA HIS 1 -3.539 -26.507 -5.443 32 HD1 HIS 1 HD1 HIS 1 -4.986 -25.540 -4.203 33 HD2 HIS 1 HD2 HIS 1 -2.456 -22.412 -3.167 34 HE1 HIS 1 HE1 HIS 1 -6.437 -23.870 -3.007 35 HB2 HIS 1 HB2 HIS 1 -1.821 -25.695 -3.830 36 HB3 HIS 1 HB3 HIS 1 -1.495 -24.342 -4.909 37 H HIS 2 H HIS 2 -1.426 -24.979 -7.744 38 HA HIS 2 HA HIS 2 -3.761 -23.800 -9.053 39 HD1 HIS 2 HD1 HIS 2 -0.960 -22.866 -6.209 40 HD2 HIS 2 HD2 HIS 2 0.254 -21.382 -9.895 41 HE1 HIS 2 HE1 HIS 2 1.510 -22.449 -5.986 42 HB2 HIS 2 HB2 HIS 2 -2.423 -21.715 -9.510 43 HB3 HIS 2 HB3 HIS 2 -2.906 -21.930 -7.829 44 H HIS 3 H HIS 3 -2.905 -22.763 -11.244 45 HA HIS 3 HA HIS 3 -2.066 -24.870 -12.861 46 HD1 HIS 3 HD1 HIS 3 -4.487 -21.549 -12.768 47 HD2 HIS 3 HD2 HIS 3 -3.827 -24.611 -15.498 48 HE1 HIS 3 HE1 HIS 3 -6.759 -22.155 -13.661 49 HB2 HIS 3 HB2 HIS 3 -2.030 -21.887 -13.327 50 HB3 HIS 3 HB3 HIS 3 -1.630 -23.059 -14.579 51 H HIS 4 H HIS 4 -0.105 -25.034 -14.170 52 HA HIS 4 HA HIS 4 2.246 -24.676 -12.521 53 HD1 HIS 4 HD1 HIS 4 3.808 -27.711 -12.661 54 HD2 HIS 4 HD2 HIS 4 -0.177 -27.535 -13.825 55 HE1 HIS 4 HE1 HIS 4 2.709 -29.711 -11.603 56 HB2 HIS 4 HB2 HIS 4 1.843 -25.984 -15.217 57 HB3 HIS 4 HB3 HIS 4 3.387 -25.931 -14.370 58 H HIS 5 H HIS 5 4.090 -23.507 -13.078 59 HA HIS 5 HA HIS 5 3.591 -21.307 -14.951 60 HD1 HIS 5 HD1 HIS 5 7.643 -20.236 -13.224 61 HD2 HIS 5 HD2 HIS 5 5.482 -23.417 -11.651 62 HE1 HIS 5 HE1 HIS 5 9.316 -21.627 -11.963 63 HB2 HIS 5 HB2 HIS 5 5.246 -20.059 -13.758 64 HB3 HIS 5 HB3 HIS 5 4.205 -20.818 -12.556 65 H SER 6 H SER 6 5.127 -20.696 -16.504 66 HA SER 6 HA SER 6 6.481 -21.198 -18.277 67 HG SER 6 HG SER 6 8.979 -22.434 -15.374 68 HB2 SER 6 HB2 SER 6 8.772 -22.149 -17.452 69 HB3 SER 6 HB3 SER 6 8.279 -20.530 -16.954 70 H SER 7 H SER 7 4.588 -23.030 -18.293 71 HA SER 7 HA SER 7 6.024 -25.508 -18.942 72 HG SER 7 HG SER 7 4.800 -27.738 -17.716 73 HB2 SER 7 HB2 SER 7 4.938 -25.845 -16.762 74 HB3 SER 7 HB3 SER 7 3.388 -25.366 -17.455 75 H GLY 8 H GLY 8 5.871 -25.522 -21.104 76 HA2 GLY 8 HA2 GLY 8 4.074 -26.386 -22.720 77 HA3 GLY 8 HA3 GLY 8 3.266 -24.877 -22.322 78 H LEU 9 H LEU 9 3.402 -24.629 -24.708 79 HA LEU 9 HA LEU 9 6.043 -23.640 -25.552 80 HG LEU 9 HG LEU 9 6.751 -25.158 -27.516 81 HB2 LEU 9 HB2 LEU 9 3.790 -24.941 -26.999 82 HB3 LEU 9 HB3 LEU 9 4.803 -23.795 -27.874 83 HD11 LEU 9 HD11 LEU 9 6.602 -26.089 -25.415 84 HD12 LEU 9 HD12 LEU 9 6.284 -27.484 -26.447 85 HD13 LEU 9 HD13 LEU 9 4.946 -26.646 -25.661 86 HD21 LEU 9 HD21 LEU 9 5.504 -27.447 -28.375 87 HD22 LEU 9 HD22 LEU 9 6.001 -26.099 -29.398 88 HD23 LEU 9 HD23 LEU 9 4.344 -26.188 -28.800 89 H VAL 10 H VAL 10 3.797 -22.276 -24.031 90 HA VAL 10 HA VAL 10 3.762 -19.863 -25.691 91 HB VAL 10 HB VAL 10 1.370 -19.467 -24.855 92 HG11 VAL 10 HG11 VAL 10 2.407 -20.703 -27.153 93 HG12 VAL 10 HG12 VAL 10 0.959 -21.612 -26.713 94 HG13 VAL 10 HG13 VAL 10 0.862 -19.871 -26.979 95 HG21 VAL 10 HG21 VAL 10 1.475 -22.467 -24.547 96 HG22 VAL 10 HG22 VAL 10 1.354 -21.307 -23.224 97 HG23 VAL 10 HG23 VAL 10 0.043 -21.448 -24.395 98 HA PRO 11 HA PRO 11 4.742 -17.745 -21.973 99 HB2 PRO 11 HB2 PRO 11 3.516 -15.355 -22.372 100 HB3 PRO 11 HB3 PRO 11 4.970 -15.847 -23.249 101 HG2 PRO 11 HG2 PRO 11 2.110 -15.934 -24.126 102 HG3 PRO 11 HG3 PRO 11 3.544 -15.424 -25.036 103 HD2 PRO 11 HD2 PRO 11 2.415 -17.866 -25.345 104 HD3 PRO 11 HD3 PRO 11 4.160 -17.591 -25.524 105 H ARG 12 H ARG 12 3.675 -16.337 -20.208 106 HA ARG 12 HA ARG 12 0.998 -17.420 -19.620 107 HE ARG 12 HE ARG 12 2.412 -17.342 -14.882 108 HB2 ARG 12 HB2 ARG 12 3.094 -18.180 -18.236 109 HB3 ARG 12 HB3 ARG 12 2.897 -16.620 -17.448 110 HG2 ARG 12 HG2 ARG 12 0.515 -18.376 -17.693 111 HG3 ARG 12 HG3 ARG 12 1.756 -18.801 -16.513 112 HD2 ARG 12 HD2 ARG 12 0.714 -16.004 -16.636 113 HD3 ARG 12 HD3 ARG 12 -0.230 -17.255 -15.828 114 HH11 ARG 12 HH11 ARG 12 -0.418 -15.318 -14.756 115 HH12 ARG 12 HH12 ARG 12 -0.032 -14.651 -13.205 116 HH21 ARG 12 HH21 ARG 12 2.931 -16.471 -12.838 117 HH22 ARG 12 HH22 ARG 12 1.874 -15.307 -12.115 118 H GLY 13 H GLY 13 -0.541 -15.932 -19.484 119 HA2 GLY 13 HA2 GLY 13 -0.110 -13.432 -18.124 120 HA3 GLY 13 HA3 GLY 13 -0.292 -13.244 -19.862 121 H SER 14 H SER 14 -1.937 -12.892 -17.145 122 HA SER 14 HA SER 14 -4.488 -13.623 -18.414 123 HG SER 14 HG SER 14 -4.885 -16.129 -16.368 124 HB2 SER 14 HB2 SER 14 -3.660 -14.071 -15.545 125 HB3 SER 14 HB3 SER 14 -5.346 -14.078 -16.060 126 H HIS 15 H HIS 15 -2.964 -11.100 -18.261 127 HA HIS 15 HA HIS 15 -4.926 -9.473 -16.781 128 HD1 HIS 15 HD1 HIS 15 -0.449 -9.993 -16.191 129 HD2 HIS 15 HD2 HIS 15 -3.977 -9.421 -14.072 130 HE1 HIS 15 HE1 HIS 15 -0.060 -11.045 -13.940 131 HB2 HIS 15 HB2 HIS 15 -2.091 -8.695 -17.489 132 HB3 HIS 15 HB3 HIS 15 -3.219 -7.779 -16.494 133 H MET 16 H MET 16 -3.072 -9.825 -19.751 134 HA MET 16 HA MET 16 -4.611 -7.643 -20.970 135 HB2 MET 16 HB2 MET 16 -2.175 -9.083 -22.033 136 HB3 MET 16 HB3 MET 16 -2.948 -7.679 -22.756 137 HG2 MET 16 HG2 MET 16 -2.121 -6.237 -21.186 138 HG3 MET 16 HG3 MET 16 -1.981 -7.488 -19.953 139 HE1 MET 16 HE1 MET 16 -0.451 -8.975 -19.600 140 HE2 MET 16 HE2 MET 16 0.608 -9.659 -20.834 141 HE3 MET 16 HE3 MET 16 1.237 -8.469 -19.695 142 H SER 17 H SER 17 -5.491 -7.958 -23.121 143 HA SER 17 HA SER 17 -5.987 -10.743 -23.877 144 HG SER 17 HG SER 17 -9.204 -8.342 -23.237 145 HB2 SER 17 HB2 SER 17 -8.356 -10.468 -24.002 146 HB3 SER 17 HB3 SER 17 -7.870 -9.879 -22.412 147 H VAL 18 H VAL 18 -5.838 -11.059 -26.005 148 HA VAL 18 HA VAL 18 -5.278 -8.818 -27.729 149 HB VAL 18 HB VAL 18 -5.447 -11.776 -28.313 150 HG11 VAL 18 HG11 VAL 18 -5.955 -10.554 -30.328 151 HG12 VAL 18 HG12 VAL 18 -4.565 -9.496 -30.079 152 HG13 VAL 18 HG13 VAL 18 -4.320 -11.204 -30.442 153 HG21 VAL 18 HG21 VAL 18 -3.606 -11.018 -26.813 154 HG22 VAL 18 HG22 VAL 18 -3.049 -11.734 -28.326 155 HG23 VAL 18 HG23 VAL 18 -3.031 -9.982 -28.119 156 H ASP 19 H ASP 19 -7.943 -10.998 -27.141 157 HA ASP 19 HA ASP 19 -9.415 -10.540 -29.490 158 HB2 ASP 19 HB2 ASP 19 -9.845 -12.339 -27.776 159 HB3 ASP 19 HB3 ASP 19 -10.570 -11.101 -26.755 160 H ASP 20 H ASP 20 -8.730 -8.499 -26.858 161 HA ASP 20 HA ASP 20 -11.024 -6.762 -27.416 162 HB2 ASP 20 HB2 ASP 20 -8.980 -6.739 -25.189 163 HB3 ASP 20 HB3 ASP 20 -10.222 -5.506 -25.392 164 H ILE 21 H ILE 21 -8.642 -7.127 -29.182 165 HA ILE 21 HA ILE 21 -7.646 -4.355 -29.170 166 HB ILE 21 HB ILE 21 -6.380 -6.801 -30.410 167 HG12 ILE 21 HG12 ILE 21 -5.578 -5.143 -28.008 168 HG13 ILE 21 HG13 ILE 21 -6.216 -6.783 -27.965 169 HG21 ILE 21 HG21 ILE 21 -5.397 -3.954 -30.266 170 HG22 ILE 21 HG22 ILE 21 -4.483 -5.327 -30.888 171 HG23 ILE 21 HG23 ILE 21 -5.945 -4.794 -31.716 172 HD11 ILE 21 HD11 ILE 21 -3.517 -5.810 -28.666 173 HD12 ILE 21 HD12 ILE 21 -4.015 -7.259 -27.793 174 HD13 ILE 21 HD13 ILE 21 -4.128 -7.207 -29.552 175 H ILE 22 H ILE 22 -7.793 -3.120 -30.996 176 HA ILE 22 HA ILE 22 -9.383 -4.262 -33.197 177 HB ILE 22 HB ILE 22 -10.201 -2.045 -33.674 178 HG12 ILE 22 HG12 ILE 22 -8.442 -1.125 -31.389 179 HG13 ILE 22 HG13 ILE 22 -8.179 -0.780 -33.095 180 HG21 ILE 22 HG21 ILE 22 -11.742 -1.994 -32.013 181 HG22 ILE 22 HG22 ILE 22 -10.985 -3.530 -31.597 182 HG23 ILE 22 HG23 ILE 22 -10.530 -2.061 -30.735 183 HD11 ILE 22 HD11 ILE 22 -10.448 0.353 -33.054 184 HD12 ILE 22 HD12 ILE 22 -10.343 0.250 -31.297 185 HD13 ILE 22 HD13 ILE 22 -9.131 1.159 -32.202 186 H ILE 23 H ILE 23 -9.045 -2.521 -35.182 187 HA ILE 23 HA ILE 23 -6.221 -2.861 -35.866 188 HB ILE 23 HB ILE 23 -8.450 -2.018 -37.713 189 HG12 ILE 23 HG12 ILE 23 -9.012 -4.185 -36.725 190 HG13 ILE 23 HG13 ILE 23 -8.565 -4.375 -38.417 191 HG21 ILE 23 HG21 ILE 23 -5.602 -2.821 -38.043 192 HG22 ILE 23 HG22 ILE 23 -6.753 -3.218 -39.318 193 HG23 ILE 23 HG23 ILE 23 -6.512 -1.538 -38.840 194 HD11 ILE 23 HD11 ILE 23 -6.973 -5.093 -35.981 195 HD12 ILE 23 HD12 ILE 23 -7.542 -6.148 -37.275 196 HD13 ILE 23 HD13 ILE 23 -6.254 -4.983 -37.587 197 H LYS 24 H LYS 24 -4.991 -1.173 -36.798 198 HA LYS 24 HA LYS 24 -4.153 0.940 -36.888 199 HB2 LYS 24 HB2 LYS 24 -7.079 1.411 -37.372 200 HB3 LYS 24 HB3 LYS 24 -5.964 2.767 -37.268 201 HG2 LYS 24 HG2 LYS 24 -4.891 2.216 -39.219 202 HG3 LYS 24 HG3 LYS 24 -5.328 0.510 -39.104 203 HD2 LYS 24 HD2 LYS 24 -6.686 1.279 -40.825 204 HD3 LYS 24 HD3 LYS 24 -7.753 1.352 -39.421 205 HE2 LYS 24 HE2 LYS 24 -7.315 3.729 -39.186 206 HE3 LYS 24 HE3 LYS 24 -6.175 3.673 -40.529 207 HZ1 LYS 24 HZ1 LYS 24 -8.226 2.746 -41.800 208 HZ2 LYS 24 HZ2 LYS 24 -8.066 4.413 -41.557 209 HZ3 LYS 24 HZ3 LYS 24 -9.107 3.511 -40.576 210 H CYS 25 H CYS 25 -4.316 -0.042 -34.354 211 HA CYS 25 HA CYS 25 -5.247 2.252 -32.758 212 HG CYS 25 HG CYS 25 -5.329 0.728 -29.337 213 HB2 CYS 25 HB2 CYS 25 -6.146 -0.191 -32.391 214 HB3 CYS 25 HB3 CYS 25 -4.625 -0.409 -31.534 215 H GLN 26 H GLN 26 -3.935 2.802 -30.868 216 HA GLN 26 HA GLN 26 -1.104 2.693 -31.541 217 HB2 GLN 26 HB2 GLN 26 -0.841 4.437 -29.840 218 HB3 GLN 26 HB3 GLN 26 -2.083 4.869 -31.008 219 HG2 GLN 26 HG2 GLN 26 -3.623 3.703 -29.166 220 HG3 GLN 26 HG3 GLN 26 -2.311 4.261 -28.129 221 HE21 GLN 26 HE21 GLN 26 -4.530 5.372 -27.493 222 HE22 GLN 26 HE22 GLN 26 -4.703 6.976 -28.111 223 H CYS 27 H CYS 27 0.258 1.325 -30.611 224 HA CYS 27 HA CYS 27 -0.469 0.181 -27.995 225 HG CYS 27 HG CYS 27 -2.153 -1.395 -28.823 226 HB2 CYS 27 HB2 CYS 27 0.482 -1.108 -30.495 227 HB3 CYS 27 HB3 CYS 27 1.146 -1.727 -28.988 228 H TRP 28 H TRP 28 0.902 0.653 -26.420 229 HA TRP 28 HA TRP 28 3.382 1.984 -26.964 230 HD1 TRP 28 HD1 TRP 28 0.241 3.280 -24.646 231 HE1 TRP 28 HE1 TRP 28 0.557 5.832 -24.746 232 HE3 TRP 28 HE3 TRP 28 5.301 3.444 -25.358 233 HZ2 TRP 28 HZ2 TRP 28 2.671 7.672 -25.083 234 HZ3 TRP 28 HZ3 TRP 28 6.393 5.640 -25.560 235 HH2 TRP 28 HH2 TRP 28 5.103 7.709 -25.426 236 HB2 TRP 28 HB2 TRP 28 1.834 1.250 -24.524 237 HB3 TRP 28 HB3 TRP 28 3.552 1.593 -24.338 238 H VAL 29 H VAL 29 5.287 1.064 -27.311 239 HA VAL 29 HA VAL 29 5.634 -1.769 -26.638 240 HB VAL 29 HB VAL 29 7.395 -0.055 -28.393 241 HG11 VAL 29 HG11 VAL 29 7.217 -3.021 -27.906 242 HG12 VAL 29 HG12 VAL 29 8.091 -2.310 -29.264 243 HG13 VAL 29 HG13 VAL 29 8.589 -1.955 -27.610 244 HG21 VAL 29 HG21 VAL 29 4.797 -1.223 -28.907 245 HG22 VAL 29 HG22 VAL 29 5.755 -0.124 -29.899 246 HG23 VAL 29 HG23 VAL 29 6.026 -1.863 -29.998 247 H GLN 30 H GLN 30 6.565 -2.141 -24.738 248 HA GLN 30 HA GLN 30 8.508 -0.227 -23.680 249 HB2 GLN 30 HB2 GLN 30 6.764 -2.328 -22.481 250 HB3 GLN 30 HB3 GLN 30 8.258 -1.915 -21.651 251 HG2 GLN 30 HG2 GLN 30 7.557 0.212 -21.152 252 HG3 GLN 30 HG3 GLN 30 6.416 0.267 -22.494 253 HE21 GLN 30 HE21 GLN 30 5.195 1.167 -20.538 254 HE22 GLN 30 HE22 GLN 30 4.237 0.027 -19.662 255 H LYS 31 H LYS 31 10.495 -0.613 -24.450 256 HA LYS 31 HA LYS 31 11.434 -3.268 -25.025 257 HB2 LYS 31 HB2 LYS 31 13.087 -0.748 -24.884 258 HB3 LYS 31 HB3 LYS 31 13.448 -2.221 -25.774 259 HG2 LYS 31 HG2 LYS 31 11.188 -0.320 -26.364 260 HG3 LYS 31 HG3 LYS 31 12.708 -0.432 -27.253 261 HD2 LYS 31 HD2 LYS 31 12.147 -2.812 -27.762 262 HD3 LYS 31 HD3 LYS 31 10.566 -2.544 -27.022 263 HE2 LYS 31 HE2 LYS 31 10.299 -2.284 -29.372 264 HE3 LYS 31 HE3 LYS 31 10.225 -0.674 -28.658 265 HZ1 LYS 31 HZ1 LYS 31 12.475 -0.265 -29.329 266 HZ2 LYS 31 HZ2 LYS 31 11.599 -0.783 -30.681 267 HZ3 LYS 31 HZ3 LYS 31 12.653 -1.848 -29.899 268 H ASN 32 H ASN 32 13.548 -4.041 -24.132 269 HA ASN 32 HA ASN 32 13.403 -4.517 -21.420 270 HB2 ASN 32 HB2 ASN 32 14.819 -5.730 -23.149 271 HB3 ASN 32 HB3 ASN 32 16.004 -4.442 -22.951 272 HD21 ASN 32 HD21 ASN 32 16.067 -7.351 -22.344 273 HD22 ASN 32 HD22 ASN 32 16.548 -7.451 -20.688 274 H ASP 33 H ASP 33 15.447 -2.128 -23.086 275 HA ASP 33 HA ASP 33 15.551 -0.597 -20.579 276 HB2 ASP 33 HB2 ASP 33 17.689 -1.899 -21.031 277 HB3 ASP 33 HB3 ASP 33 17.918 -0.857 -22.432 278 H GLU 34 H GLU 34 14.060 -0.454 -23.212 279 HA GLU 34 HA GLU 34 14.603 2.382 -23.692 280 HB2 GLU 34 HB2 GLU 34 14.634 0.193 -25.734 281 HB3 GLU 34 HB3 GLU 34 14.068 1.792 -26.194 282 HG2 GLU 34 HG2 GLU 34 16.314 2.560 -25.080 283 HG3 GLU 34 HG3 GLU 34 16.792 0.896 -25.411 284 H GLU 35 H GLU 35 12.796 3.304 -25.162 285 HA GLU 35 HA GLU 35 10.227 1.992 -24.660 286 HB2 GLU 35 HB2 GLU 35 11.178 4.479 -23.428 287 HB3 GLU 35 HB3 GLU 35 9.608 4.630 -24.206 288 HG2 GLU 35 HG2 GLU 35 10.201 2.410 -22.284 289 HG3 GLU 35 HG3 GLU 35 9.667 3.998 -21.736 290 H ARG 36 H ARG 36 9.144 1.886 -26.502 291 HA ARG 36 HA ARG 36 9.241 4.148 -28.359 292 HE ARG 36 HE ARG 36 12.364 3.139 -29.527 293 HB2 ARG 36 HB2 ARG 36 10.826 2.087 -28.901 294 HB3 ARG 36 HB3 ARG 36 9.331 1.407 -29.528 295 HG2 ARG 36 HG2 ARG 36 10.548 2.467 -31.309 296 HG3 ARG 36 HG3 ARG 36 9.075 3.380 -30.981 297 HD2 ARG 36 HD2 ARG 36 11.132 4.770 -31.337 298 HD3 ARG 36 HD3 ARG 36 10.281 5.068 -29.822 299 HH11 ARG 36 HH11 ARG 36 11.702 6.552 -29.722 300 HH12 ARG 36 HH12 ARG 36 13.109 7.009 -28.821 301 HH21 ARG 36 HH21 ARG 36 14.220 3.729 -28.339 302 HH22 ARG 36 HH22 ARG 36 14.541 5.402 -28.036 303 H LEU 37 H LEU 37 7.512 4.030 -30.014 304 HA LEU 37 HA LEU 37 5.143 2.629 -28.958 305 HG LEU 37 HG LEU 37 3.070 3.841 -28.745 306 HB2 LEU 37 HB2 LEU 37 5.245 5.180 -28.816 307 HB3 LEU 37 HB3 LEU 37 5.061 5.162 -30.569 308 HD11 LEU 37 HD11 LEU 37 1.987 5.767 -28.316 309 HD12 LEU 37 HD12 LEU 37 2.422 6.485 -29.866 310 HD13 LEU 37 HD13 LEU 37 3.585 6.478 -28.541 311 HD21 LEU 37 HD21 LEU 37 3.356 4.313 -31.614 312 HD22 LEU 37 HD22 LEU 37 1.785 4.785 -30.966 313 HD23 LEU 37 HD23 LEU 37 2.369 3.135 -30.749 314 H ALA 38 H ALA 38 3.922 1.447 -30.336 315 HA ALA 38 HA ALA 38 4.548 1.571 -33.205 316 HB1 ALA 38 HB1 ALA 38 4.754 -0.765 -33.412 317 HB2 ALA 38 HB2 ALA 38 5.737 -0.330 -32.013 318 HB3 ALA 38 HB3 ALA 38 4.141 -1.045 -31.782 319 H GLU 39 H GLU 39 2.858 1.023 -34.600 320 HA GLU 39 HA GLU 39 0.208 1.105 -33.346 321 HB2 GLU 39 HB2 GLU 39 1.221 2.629 -35.359 322 HB3 GLU 39 HB3 GLU 39 0.411 1.367 -36.276 323 HG2 GLU 39 HG2 GLU 39 -1.113 3.168 -35.998 324 HG3 GLU 39 HG3 GLU 39 -1.656 1.837 -34.978 325 H ILE 40 H ILE 40 -1.490 -0.253 -34.135 326 HA ILE 40 HA ILE 40 -0.492 -2.866 -35.012 327 HB ILE 40 HB ILE 40 -3.162 -2.134 -33.804 328 HG12 ILE 40 HG12 ILE 40 -1.237 -1.929 -32.250 329 HG13 ILE 40 HG13 ILE 40 -2.349 -3.211 -31.786 330 HG21 ILE 40 HG21 ILE 40 -3.340 -4.058 -35.274 331 HG22 ILE 40 HG22 ILE 40 -1.976 -4.826 -34.463 332 HG23 ILE 40 HG23 ILE 40 -3.485 -4.560 -33.590 333 HD11 ILE 40 HD11 ILE 40 -0.765 -4.756 -31.932 334 HD12 ILE 40 HD12 ILE 40 -0.231 -4.174 -33.508 335 HD13 ILE 40 HD13 ILE 40 0.383 -3.421 -32.036 336 H LEU 41 H LEU 41 -0.759 -3.468 -37.049 337 HA LEU 41 HA LEU 41 -2.730 -2.063 -38.702 338 HG LEU 41 HG LEU 41 0.223 -1.353 -38.929 339 HB2 LEU 41 HB2 LEU 41 -0.288 -3.687 -39.353 340 HB3 LEU 41 HB3 LEU 41 -1.467 -3.230 -40.581 341 HD11 LEU 41 HD11 LEU 41 1.341 -2.641 -40.779 342 HD12 LEU 41 HD12 LEU 41 1.401 -0.885 -40.929 343 HD13 LEU 41 HD13 LEU 41 0.260 -1.814 -41.901 344 HD21 LEU 41 HD21 LEU 41 -1.307 0.198 -39.358 345 HD22 LEU 41 HD22 LEU 41 -2.260 -0.937 -40.314 346 HD23 LEU 41 HD23 LEU 41 -0.968 -0.010 -41.077 347 H SER 42 H SER 42 -1.985 -5.156 -37.346 348 HA SER 42 HA SER 42 -4.534 -6.214 -37.848 349 HG SER 42 HG SER 42 -3.927 -8.709 -40.376 350 HB2 SER 42 HB2 SER 42 -3.925 -6.441 -40.152 351 HB3 SER 42 HB3 SER 42 -2.357 -7.131 -39.733 352 H ILE 43 H ILE 43 -4.739 -8.465 -37.136 353 HA ILE 43 HA ILE 43 -2.451 -9.453 -35.589 354 HB ILE 43 HB ILE 43 -5.242 -9.240 -34.458 355 HG12 ILE 43 HG12 ILE 43 -2.755 -7.691 -33.704 356 HG13 ILE 43 HG13 ILE 43 -4.086 -7.045 -34.658 357 HG21 ILE 43 HG21 ILE 43 -3.879 -11.185 -33.714 358 HG22 ILE 43 HG22 ILE 43 -2.678 -10.050 -33.100 359 HG23 ILE 43 HG23 ILE 43 -4.303 -10.070 -32.415 360 HD11 ILE 43 HD11 ILE 43 -5.062 -8.181 -32.207 361 HD12 ILE 43 HD12 ILE 43 -3.800 -6.991 -31.890 362 HD13 ILE 43 HD13 ILE 43 -5.222 -6.539 -32.831 363 H ASN 44 H ASN 44 -2.108 -11.544 -35.932 364 HA ASN 44 HA ASN 44 -4.225 -13.119 -37.210 365 HB2 ASN 44 HB2 ASN 44 -2.111 -13.050 -38.414 366 HB3 ASN 44 HB3 ASN 44 -1.248 -13.613 -36.986 367 HD21 ASN 44 HD21 ASN 44 -4.269 -14.671 -38.505 368 HD22 ASN 44 HD22 ASN 44 -3.779 -16.311 -38.735 369 H THR 45 H THR 45 -5.229 -14.723 -36.181 370 HA THR 45 HA THR 45 -4.172 -15.558 -33.561 371 HB THR 45 HB THR 45 -6.474 -16.164 -32.955 372 HG1 THR 45 HG1 THR 45 -8.147 -15.355 -34.446 373 HG21 THR 45 HG21 THR 45 -7.083 -14.045 -32.363 374 HG22 THR 45 HG22 THR 45 -6.781 -13.389 -33.972 375 HG23 THR 45 HG23 THR 45 -5.431 -13.716 -32.884 376 H ARG 46 H ARG 46 -3.179 -16.757 -35.886 377 HA ARG 46 HA ARG 46 -4.552 -19.337 -36.064 378 HE ARG 46 HE ARG 46 -4.627 -19.537 -39.812 379 HB2 ARG 46 HB2 ARG 46 -4.008 -18.390 -38.197 380 HB3 ARG 46 HB3 ARG 46 -2.347 -18.091 -37.705 381 HG2 ARG 46 HG2 ARG 46 -1.841 -20.416 -37.717 382 HG3 ARG 46 HG3 ARG 46 -3.540 -20.841 -37.930 383 HD2 ARG 46 HD2 ARG 46 -1.831 -19.339 -39.910 384 HD3 ARG 46 HD3 ARG 46 -2.287 -21.038 -40.025 385 HH11 ARG 46 HH11 ARG 46 -1.988 -19.987 -42.037 386 HH12 ARG 46 HH12 ARG 46 -2.935 -19.611 -43.439 387 HH21 ARG 46 HH21 ARG 46 -5.884 -19.041 -41.649 388 HH22 ARG 46 HH22 ARG 46 -5.150 -19.072 -43.217 389 H LYS 47 H LYS 47 -1.676 -17.842 -34.825 390 HA LYS 47 HA LYS 47 -0.605 -20.475 -34.067 391 HB2 LYS 47 HB2 LYS 47 0.755 -17.783 -34.265 392 HB3 LYS 47 HB3 LYS 47 1.528 -19.238 -33.650 393 HG2 LYS 47 HG2 LYS 47 0.456 -18.836 -36.435 394 HG3 LYS 47 HG3 LYS 47 2.155 -18.842 -35.954 395 HD2 LYS 47 HD2 LYS 47 1.860 -21.180 -35.160 396 HD3 LYS 47 HD3 LYS 47 0.218 -21.151 -35.806 397 HE2 LYS 47 HE2 LYS 47 1.601 -22.203 -37.432 398 HE3 LYS 47 HE3 LYS 47 1.207 -20.596 -38.041 399 HZ1 LYS 47 HZ1 LYS 47 3.681 -21.596 -37.953 400 HZ2 LYS 47 HZ2 LYS 47 3.642 -20.761 -36.482 401 HZ3 LYS 47 HZ3 LYS 47 3.335 -19.940 -37.929 402 H ALA 48 H ALA 48 0.681 -20.350 -31.926 403 HA ALA 48 HA ALA 48 -0.696 -18.667 -29.957 404 HB1 ALA 48 HB1 ALA 48 -1.950 -20.589 -29.662 405 HB2 ALA 48 HB2 ALA 48 -0.581 -21.655 -29.983 406 HB3 ALA 48 HB3 ALA 48 -0.676 -20.778 -28.456 407 HA PRO 49 HA PRO 49 -0.366 -17.360 -28.609 408 HB2 PRO 49 HB2 PRO 49 1.066 -15.055 -28.528 409 HB3 PRO 49 HB3 PRO 49 0.872 -16.115 -27.127 410 HG2 PRO 49 HG2 PRO 49 3.172 -15.894 -29.030 411 HG3 PRO 49 HG3 PRO 49 3.192 -16.046 -27.263 412 HD2 PRO 49 HD2 PRO 49 3.645 -18.146 -28.911 413 HD3 PRO 49 HD3 PRO 49 2.859 -18.326 -27.329 414 HA PRO 50 HA PRO 50 -1.026 -15.849 -32.685 415 HB2 PRO 50 HB2 PRO 50 -2.304 -13.493 -32.253 416 HB3 PRO 50 HB3 PRO 50 -3.064 -15.064 -31.972 417 HG2 PRO 50 HG2 PRO 50 -1.802 -13.191 -30.007 418 HG3 PRO 50 HG3 PRO 50 -3.311 -14.110 -29.866 419 HD2 PRO 50 HD2 PRO 50 -1.004 -14.910 -28.696 420 HD3 PRO 50 HD3 PRO 50 -2.219 -16.058 -29.294 421 H LYS 51 H LYS 51 -0.662 -13.985 -34.176 422 HA LYS 51 HA LYS 51 1.874 -12.679 -33.502 423 HB2 LYS 51 HB2 LYS 51 0.516 -13.174 -36.156 424 HB3 LYS 51 HB3 LYS 51 2.009 -12.263 -35.973 425 HG2 LYS 51 HG2 LYS 51 2.130 -14.864 -34.686 426 HG3 LYS 51 HG3 LYS 51 1.794 -14.970 -36.416 427 HD2 LYS 51 HD2 LYS 51 4.048 -13.358 -35.225 428 HD3 LYS 51 HD3 LYS 51 4.223 -15.006 -35.833 429 HE2 LYS 51 HE2 LYS 51 2.977 -12.991 -37.623 430 HE3 LYS 51 HE3 LYS 51 4.714 -12.876 -37.342 431 HZ1 LYS 51 HZ1 LYS 51 5.107 -14.702 -38.549 432 HZ2 LYS 51 HZ2 LYS 51 3.571 -14.434 -39.205 433 HZ3 LYS 51 HZ3 LYS 51 3.769 -15.538 -37.940 434 H PHE 52 H PHE 52 2.197 -10.465 -34.458 435 HA PHE 52 HA PHE 52 -0.234 -8.870 -34.654 436 HD1 PHE 52 HD1 PHE 52 2.223 -10.198 -31.581 437 HD2 PHE 52 HD2 PHE 52 -1.590 -8.333 -31.893 438 HE1 PHE 52 HE1 PHE 52 1.363 -11.667 -29.806 439 HE2 PHE 52 HE2 PHE 52 -2.456 -9.799 -30.117 440 HZ PHE 52 HZ PHE 52 -0.979 -11.470 -29.072 441 HB2 PHE 52 HB2 PHE 52 1.937 -8.060 -32.723 442 HB3 PHE 52 HB3 PHE 52 0.338 -7.350 -32.915 443 H TYR 53 H TYR 53 -0.045 -7.237 -36.074 444 HA TYR 53 HA TYR 53 2.534 -6.895 -37.391 445 HD1 TYR 53 HD1 TYR 53 3.212 -5.329 -38.926 446 HD2 TYR 53 HD2 TYR 53 0.026 -7.501 -40.724 447 HE1 TYR 53 HE1 TYR 53 4.503 -5.483 -41.013 448 HE2 TYR 53 HE2 TYR 53 1.309 -7.662 -42.816 449 HH TYR 53 HH TYR 53 3.990 -7.577 -43.342 450 HB2 TYR 53 HB2 TYR 53 0.004 -7.101 -38.394 451 HB3 TYR 53 HB3 TYR 53 0.228 -5.355 -38.386 452 H VAL 54 H VAL 54 3.845 -5.421 -36.539 453 HA VAL 54 HA VAL 54 2.735 -3.039 -35.261 454 HB VAL 54 HB VAL 54 5.104 -2.611 -34.572 455 HG11 VAL 54 HG11 VAL 54 3.623 -3.678 -33.023 456 HG12 VAL 54 HG12 VAL 54 3.845 -5.242 -33.811 457 HG13 VAL 54 HG13 VAL 54 5.184 -4.494 -32.940 458 HG21 VAL 54 HG21 VAL 54 6.781 -4.290 -34.877 459 HG22 VAL 54 HG22 VAL 54 5.624 -5.380 -35.641 460 HG23 VAL 54 HG23 VAL 54 6.114 -3.898 -36.462 461 H HIS 55 H HIS 55 3.074 -0.977 -35.969 462 HA HIS 55 HA HIS 55 4.634 -0.614 -38.433 463 HD1 HIS 55 HD1 HIS 55 1.167 2.491 -38.973 464 HD2 HIS 55 HD2 HIS 55 4.613 0.916 -40.677 465 HE1 HIS 55 HE1 HIS 55 1.906 4.182 -40.681 466 HB2 HIS 55 HB2 HIS 55 2.357 -0.723 -39.181 467 HB3 HIS 55 HB3 HIS 55 1.826 0.368 -37.904 468 H TYR 56 H TYR 56 5.628 1.385 -38.677 469 HA TYR 56 HA TYR 56 5.680 3.028 -36.236 470 HD1 TYR 56 HD1 TYR 56 7.039 0.302 -36.533 471 HD2 TYR 56 HD2 TYR 56 9.353 3.753 -35.616 472 HE1 TYR 56 HE1 TYR 56 8.069 -0.897 -34.649 473 HE2 TYR 56 HE2 TYR 56 10.390 2.564 -33.730 474 HH TYR 56 HH TYR 56 9.427 -0.748 -32.893 475 HB2 TYR 56 HB2 TYR 56 7.757 2.328 -38.275 476 HB3 TYR 56 HB3 TYR 56 7.898 3.845 -37.393 477 H VAL 57 H VAL 57 4.742 4.946 -36.343 478 HA VAL 57 HA VAL 57 4.026 6.080 -38.921 479 HB VAL 57 HB VAL 57 2.742 7.722 -37.640 480 HG11 VAL 57 HG11 VAL 57 1.123 6.206 -37.679 481 HG12 VAL 57 HG12 VAL 57 2.319 4.909 -37.671 482 HG13 VAL 57 HG13 VAL 57 1.703 5.551 -36.148 483 HG21 VAL 57 HG21 VAL 57 2.587 7.489 -35.174 484 HG22 VAL 57 HG22 VAL 57 3.927 6.343 -35.235 485 HG23 VAL 57 HG23 VAL 57 4.175 8.018 -35.728 486 H ASN 58 H ASN 58 6.180 6.730 -36.234 487 HA ASN 58 HA ASN 58 6.868 9.378 -36.872 488 HB2 ASN 58 HB2 ASN 58 7.437 8.431 -34.714 489 HB3 ASN 58 HB3 ASN 58 8.469 7.224 -35.476 490 HD21 ASN 58 HD21 ASN 58 10.542 7.651 -35.397 491 HD22 ASN 58 HD22 ASN 58 11.261 9.220 -35.317 492 H TYR 59 H TYR 59 8.964 6.535 -37.347 493 HA TYR 59 HA TYR 59 9.548 7.311 -40.066 494 HD1 TYR 59 HD1 TYR 59 10.057 9.533 -40.511 495 HD2 TYR 59 HD2 TYR 59 13.739 7.457 -40.021 496 HE1 TYR 59 HE1 TYR 59 10.946 10.647 -42.516 497 HE2 TYR 59 HE2 TYR 59 14.637 8.566 -42.024 498 HH TYR 59 HH TYR 59 13.399 11.241 -43.357 499 HB2 TYR 59 HB2 TYR 59 11.101 8.493 -38.148 500 HB3 TYR 59 HB3 TYR 59 12.041 7.053 -38.526 501 H ASN 60 H ASN 60 11.766 5.867 -40.589 502 HA ASN 60 HA ASN 60 12.236 3.725 -41.268 503 HB2 ASN 60 HB2 ASN 60 12.943 2.288 -39.438 504 HB3 ASN 60 HB3 ASN 60 13.419 3.949 -39.101 505 HD21 ASN 60 HD21 ASN 60 12.409 5.077 -37.454 506 HD22 ASN 60 HD22 ASN 60 11.442 4.293 -36.255 507 H LYS 61 H LYS 61 9.499 4.259 -41.525 508 HA LYS 61 HA LYS 61 7.752 2.446 -40.357 509 HB2 LYS 61 HB2 LYS 61 6.294 2.833 -42.274 510 HB3 LYS 61 HB3 LYS 61 7.026 4.341 -41.743 511 HG2 LYS 61 HG2 LYS 61 8.597 4.278 -43.565 512 HG3 LYS 61 HG3 LYS 61 8.010 2.688 -44.058 513 HD2 LYS 61 HD2 LYS 61 5.697 3.994 -44.138 514 HD3 LYS 61 HD3 LYS 61 6.774 5.368 -44.401 515 HE2 LYS 61 HE2 LYS 61 6.186 4.526 -46.543 516 HE3 LYS 61 HE3 LYS 61 7.853 4.038 -46.239 517 HZ1 LYS 61 HZ1 LYS 61 6.343 2.287 -47.188 518 HZ2 LYS 61 HZ2 LYS 61 5.547 2.260 -45.695 519 HZ3 LYS 61 HZ3 LYS 61 7.183 1.843 -45.788 520 H ARG 62 H ARG 62 10.150 1.958 -42.810 521 HA ARG 62 HA ARG 62 9.202 -0.337 -44.065 522 HE ARG 62 HE ARG 62 14.449 -0.608 -44.587 523 HB2 ARG 62 HB2 ARG 62 11.471 -0.760 -44.729 524 HB3 ARG 62 HB3 ARG 62 11.212 0.980 -44.746 525 HG2 ARG 62 HG2 ARG 62 12.173 0.781 -42.290 526 HG3 ARG 62 HG3 ARG 62 12.915 -0.670 -42.968 527 HD2 ARG 62 HD2 ARG 62 13.084 1.906 -44.465 528 HD3 ARG 62 HD3 ARG 62 14.148 1.636 -43.086 529 HH11 ARG 62 HH11 ARG 62 14.719 2.801 -45.239 530 HH12 ARG 62 HH12 ARG 62 15.921 2.603 -46.471 531 HH21 ARG 62 HH21 ARG 62 16.031 -0.882 -46.207 532 HH22 ARG 62 HH22 ARG 62 16.666 0.507 -47.021 533 H LEU 63 H LEU 63 10.472 0.103 -40.881 534 HA LEU 63 HA LEU 63 11.246 -2.575 -40.366 535 HG LEU 63 HG LEU 63 12.851 -0.439 -37.804 536 HB2 LEU 63 HB2 LEU 63 10.649 -0.176 -38.704 537 HB3 LEU 63 HB3 LEU 63 10.754 -1.749 -37.917 538 HD11 LEU 63 HD11 LEU 63 12.574 -3.148 -38.879 539 HD12 LEU 63 HD12 LEU 63 13.520 -2.556 -37.514 540 HD13 LEU 63 HD13 LEU 63 14.153 -2.411 -39.153 541 HD21 LEU 63 HD21 LEU 63 14.008 0.285 -39.625 542 HD22 LEU 63 HD22 LEU 63 12.374 0.385 -40.279 543 HD23 LEU 63 HD23 LEU 63 13.395 -1.000 -40.667 544 H ASP 64 H ASP 64 8.221 -1.155 -40.796 545 HA ASP 64 HA ASP 64 6.552 -2.413 -38.994 546 HB2 ASP 64 HB2 ASP 64 5.527 -0.840 -40.392 547 HB3 ASP 64 HB3 ASP 64 6.177 -1.576 -41.854 548 H GLU 65 H GLU 65 6.823 -4.501 -38.451 549 HA GLU 65 HA GLU 65 6.374 -6.495 -40.547 550 HB2 GLU 65 HB2 GLU 65 8.195 -7.870 -39.886 551 HB3 GLU 65 HB3 GLU 65 8.848 -6.252 -40.097 552 HG2 GLU 65 HG2 GLU 65 8.534 -5.978 -37.585 553 HG3 GLU 65 HG3 GLU 65 8.298 -7.724 -37.545 554 H TRP 66 H TRP 66 6.541 -8.782 -39.114 555 HA TRP 66 HA TRP 66 4.281 -8.500 -37.291 556 HD1 TRP 66 HD1 TRP 66 5.373 -9.478 -40.837 557 HE1 TRP 66 HE1 TRP 66 3.390 -9.428 -42.476 558 HE3 TRP 66 HE3 TRP 66 1.698 -11.184 -37.718 559 HZ2 TRP 66 HZ2 TRP 66 0.632 -10.030 -42.451 560 HZ3 TRP 66 HZ3 TRP 66 -0.585 -11.417 -38.604 561 HH2 TRP 66 HH2 TRP 66 -1.106 -10.851 -40.921 562 HB2 TRP 66 HB2 TRP 66 5.572 -10.988 -38.433 563 HB3 TRP 66 HB3 TRP 66 4.096 -10.945 -37.473 564 H ILE 67 H ILE 67 4.257 -9.398 -35.195 565 HA ILE 67 HA ILE 67 6.749 -10.358 -34.056 566 HB ILE 67 HB ILE 67 6.703 -8.717 -32.202 567 HG12 ILE 67 HG12 ILE 67 5.072 -6.818 -33.787 568 HG13 ILE 67 HG13 ILE 67 4.191 -8.123 -33.001 569 HG21 ILE 67 HG21 ILE 67 8.105 -8.497 -34.316 570 HG22 ILE 67 HG22 ILE 67 6.950 -7.265 -34.819 571 HG23 ILE 67 HG23 ILE 67 7.890 -7.042 -33.344 572 HD11 ILE 67 HD11 ILE 67 5.968 -6.091 -31.676 573 HD12 ILE 67 HD12 ILE 67 4.211 -6.199 -31.575 574 HD13 ILE 67 HD13 ILE 67 5.214 -7.457 -30.854 575 H THR 68 H THR 68 6.345 -10.614 -31.536 576 HA THR 68 HA THR 68 3.769 -12.010 -31.292 577 HB THR 68 HB THR 68 4.819 -13.293 -29.462 578 HG1 THR 68 HG1 THR 68 7.092 -13.049 -29.161 579 HG21 THR 68 HG21 THR 68 6.858 -13.726 -31.491 580 HG22 THR 68 HG22 THR 68 5.243 -13.571 -32.181 581 HG23 THR 68 HG23 THR 68 5.563 -14.792 -30.949 582 H THR 69 H THR 69 3.334 -12.262 -28.714 583 HA THR 69 HA THR 69 2.592 -9.617 -27.886 584 HB THR 69 HB THR 69 1.147 -11.616 -27.502 585 HG1 THR 69 HG1 THR 69 1.877 -10.360 -25.055 586 HG21 THR 69 HG21 THR 69 3.162 -13.035 -26.767 587 HG22 THR 69 HG22 THR 69 1.645 -13.242 -25.892 588 HG23 THR 69 HG23 THR 69 2.945 -12.279 -25.189 589 H ASP 70 H ASP 70 5.150 -11.840 -27.149 590 HA ASP 70 HA ASP 70 5.940 -10.954 -24.631 591 HB2 ASP 70 HB2 ASP 70 6.835 -12.921 -26.046 592 HB3 ASP 70 HB3 ASP 70 7.923 -11.731 -26.756 593 H ARG 71 H ARG 71 6.213 -9.432 -27.720 594 HA ARG 71 HA ARG 71 8.114 -7.454 -26.699 595 HE ARG 71 HE ARG 71 9.544 -8.816 -26.664 596 HB2 ARG 71 HB2 ARG 71 6.968 -7.746 -29.482 597 HB3 ARG 71 HB3 ARG 71 8.277 -6.675 -29.000 598 HG2 ARG 71 HG2 ARG 71 8.496 -9.635 -28.619 599 HG3 ARG 71 HG3 ARG 71 8.855 -8.884 -30.175 600 HD2 ARG 71 HD2 ARG 71 10.931 -8.944 -29.146 601 HD3 ARG 71 HD3 ARG 71 10.372 -7.309 -28.797 602 HH11 ARG 71 HH11 ARG 71 12.593 -8.124 -28.195 603 HH12 ARG 71 HH12 ARG 71 13.511 -8.283 -26.734 604 HH21 ARG 71 HH21 ARG 71 10.742 -9.030 -24.735 605 HH22 ARG 71 HH22 ARG 71 12.457 -8.800 -24.767 606 H ILE 72 H ILE 72 4.781 -7.914 -27.142 607 HA ILE 72 HA ILE 72 4.234 -5.034 -27.210 608 HB ILE 72 HB ILE 72 2.326 -7.361 -27.475 609 HG12 ILE 72 HG12 ILE 72 3.285 -5.423 -29.588 610 HG13 ILE 72 HG13 ILE 72 3.947 -7.039 -29.364 611 HG21 ILE 72 HG21 ILE 72 0.846 -5.444 -28.382 612 HG22 ILE 72 HG22 ILE 72 1.018 -5.640 -26.638 613 HG23 ILE 72 HG23 ILE 72 1.939 -4.394 -27.480 614 HD11 ILE 72 HD11 ILE 72 2.420 -7.728 -30.811 615 HD12 ILE 72 HD12 ILE 72 1.222 -7.453 -29.548 616 HD13 ILE 72 HD13 ILE 72 1.553 -6.194 -30.738 617 H ASN 73 H ASN 73 3.092 -3.987 -25.607 618 HA ASN 73 HA ASN 73 2.568 -5.529 -23.153 619 HB2 ASN 73 HB2 ASN 73 4.641 -4.111 -23.012 620 HB3 ASN 73 HB3 ASN 73 3.617 -2.694 -23.229 621 HD21 ASN 73 HD21 ASN 73 2.377 -1.970 -21.556 622 HD22 ASN 73 HD22 ASN 73 2.482 -2.603 -19.952 623 H LEU 74 H LEU 74 0.365 -5.669 -23.779 624 HA LEU 74 HA LEU 74 -1.307 -3.616 -24.548 625 HG LEU 74 HG LEU 74 -3.187 -4.622 -25.354 626 HB2 LEU 74 HB2 LEU 74 -1.596 -6.264 -23.425 627 HB3 LEU 74 HB3 LEU 74 -2.851 -5.177 -22.833 628 HD11 LEU 74 HD11 LEU 74 -1.212 -6.712 -25.461 629 HD12 LEU 74 HD12 LEU 74 -1.867 -5.717 -26.761 630 HD13 LEU 74 HD13 LEU 74 -2.690 -7.204 -26.289 631 HD21 LEU 74 HD21 LEU 74 -5.061 -5.811 -25.127 632 HD22 LEU 74 HD22 LEU 74 -4.428 -6.299 -23.555 633 HD23 LEU 74 HD23 LEU 74 -4.177 -7.330 -24.964 634 H ASP 75 H ASP 75 -2.092 -1.848 -23.606 635 HA ASP 75 HA ASP 75 -1.587 -1.463 -20.742 636 HB2 ASP 75 HB2 ASP 75 -1.903 0.399 -23.067 637 HB3 ASP 75 HB3 ASP 75 -2.244 0.983 -21.440 638 H LYS 76 H LYS 76 -3.845 -3.006 -21.917 639 HA LYS 76 HA LYS 76 -6.210 -1.432 -21.506 640 HB2 LYS 76 HB2 LYS 76 -5.651 -3.813 -22.787 641 HB3 LYS 76 HB3 LYS 76 -6.543 -4.335 -21.363 642 HG2 LYS 76 HG2 LYS 76 -8.240 -4.028 -22.869 643 HG3 LYS 76 HG3 LYS 76 -8.209 -2.455 -22.070 644 HD2 LYS 76 HD2 LYS 76 -6.690 -1.669 -23.919 645 HD3 LYS 76 HD3 LYS 76 -7.036 -3.189 -24.747 646 HE2 LYS 76 HE2 LYS 76 -9.210 -1.331 -23.820 647 HE3 LYS 76 HE3 LYS 76 -8.438 -1.163 -25.397 648 HZ1 LYS 76 HZ1 LYS 76 -10.440 -3.008 -24.558 649 HZ2 LYS 76 HZ2 LYS 76 -9.106 -3.814 -25.215 650 HZ3 LYS 76 HZ3 LYS 76 -9.911 -2.635 -26.121 651 H GLU 77 H GLU 77 -7.944 -2.688 -20.020 652 HA GLU 77 HA GLU 77 -7.196 -2.140 -17.372 653 HB2 GLU 77 HB2 GLU 77 -9.346 -2.935 -16.738 654 HB3 GLU 77 HB3 GLU 77 -9.537 -2.167 -18.308 655 HG2 GLU 77 HG2 GLU 77 -9.135 -4.645 -19.151 656 HG3 GLU 77 HG3 GLU 77 -9.762 -5.021 -17.547 657 H VAL 78 H VAL 78 -6.347 -3.342 -15.775 658 HA VAL 78 HA VAL 78 -6.078 -6.241 -16.186 659 HB VAL 78 HB VAL 78 -3.793 -6.216 -15.372 660 HG11 VAL 78 HG11 VAL 78 -3.203 -4.262 -17.345 661 HG12 VAL 78 HG12 VAL 78 -3.177 -6.020 -17.495 662 HG13 VAL 78 HG13 VAL 78 -4.656 -5.126 -17.846 663 HG21 VAL 78 HG21 VAL 78 -2.583 -4.127 -15.001 664 HG22 VAL 78 HG22 VAL 78 -4.057 -3.211 -15.314 665 HG23 VAL 78 HG23 VAL 78 -3.957 -4.266 -13.904 666 H LEU 79 H LEU 79 -5.627 -7.437 -14.200 667 HA LEU 79 HA LEU 79 -6.780 -6.087 -11.851 668 HG LEU 79 HG LEU 79 -8.693 -7.164 -13.418 669 HB2 LEU 79 HB2 LEU 79 -6.881 -8.952 -12.754 670 HB3 LEU 79 HB3 LEU 79 -7.307 -8.461 -11.116 671 HD11 LEU 79 HD11 LEU 79 -9.460 -9.103 -14.189 672 HD12 LEU 79 HD12 LEU 79 -10.331 -9.269 -12.665 673 HD13 LEU 79 HD13 LEU 79 -8.738 -10.002 -12.854 674 HD21 LEU 79 HD21 LEU 79 -8.859 -6.902 -10.707 675 HD22 LEU 79 HD22 LEU 79 -10.161 -8.043 -11.044 676 HD23 LEU 79 HD23 LEU 79 -10.134 -6.474 -11.848 677 H TYR 80 H TYR 80 -4.889 -5.332 -10.936 678 HA TYR 80 HA TYR 80 -2.899 -7.363 -10.172 679 HD1 TYR 80 HD1 TYR 80 -2.993 -5.850 -13.030 680 HD2 TYR 80 HD2 TYR 80 0.433 -5.949 -10.510 681 HE1 TYR 80 HE1 TYR 80 -1.633 -6.641 -14.921 682 HE2 TYR 80 HE2 TYR 80 1.803 -6.739 -12.394 683 HH TYR 80 HH TYR 80 1.828 -6.851 -14.733 684 HB2 TYR 80 HB2 TYR 80 -2.700 -4.443 -10.779 685 HB3 TYR 80 HB3 TYR 80 -1.552 -5.153 -9.650 686 HA PRO 81 HA PRO 81 -5.064 -6.449 -6.230 687 HB2 PRO 81 HB2 PRO 81 -4.708 -8.944 -5.219 688 HB3 PRO 81 HB3 PRO 81 -6.043 -8.527 -6.299 689 HG2 PRO 81 HG2 PRO 81 -3.446 -9.874 -6.931 690 HG3 PRO 81 HG3 PRO 81 -5.078 -10.268 -7.501 691 HD2 PRO 81 HD2 PRO 81 -3.301 -8.890 -9.010 692 HD3 PRO 81 HD3 PRO 81 -5.052 -8.615 -9.107 693 H LYS 82 H LYS 82 -4.261 -6.924 -3.939 694 HA LYS 82 HA LYS 82 -1.537 -6.032 -3.756 695 HB2 LYS 82 HB2 LYS 82 -3.446 -5.297 -2.253 696 HB3 LYS 82 HB3 LYS 82 -3.328 -6.871 -1.478 697 HG2 LYS 82 HG2 LYS 82 -2.114 -5.356 -0.136 698 HG3 LYS 82 HG3 LYS 82 -0.922 -6.337 -0.992 699 HD2 LYS 82 HD2 LYS 82 -1.052 -4.377 -2.742 700 HD3 LYS 82 HD3 LYS 82 -1.637 -3.463 -1.350 701 HE2 LYS 82 HE2 LYS 82 0.761 -3.211 -1.555 702 HE3 LYS 82 HE3 LYS 82 0.377 -4.128 -0.099 703 HZ1 LYS 82 HZ1 LYS 82 1.122 -6.094 -1.044 704 HZ2 LYS 82 HZ2 LYS 82 2.254 -4.963 -1.595 705 HZ3 LYS 82 HZ3 LYS 82 1.027 -5.505 -2.626 706 H LEU 83 H LEU 83 -0.174 -7.651 -4.429 707 HA LEU 83 HA LEU 83 -0.030 -9.991 -2.657 708 HG LEU 83 HG LEU 83 -0.830 -9.051 -6.071 709 HB2 LEU 83 HB2 LEU 83 0.842 -11.198 -4.777 710 HB3 LEU 83 HB3 LEU 83 -0.893 -11.019 -4.523 711 HD11 LEU 83 HD11 LEU 83 1.300 -8.249 -6.215 712 HD12 LEU 83 HD12 LEU 83 1.274 -9.277 -7.647 713 HD13 LEU 83 HD13 LEU 83 2.030 -9.853 -6.162 714 HD21 LEU 83 HD21 LEU 83 -1.568 -10.563 -7.515 715 HD22 LEU 83 HD22 LEU 83 -0.709 -11.838 -6.652 716 HD23 LEU 83 HD23 LEU 83 0.098 -10.952 -7.946 717 H LYS 84 H LYS 84 2.090 -10.951 -2.496 718 HA LYS 84 HA LYS 84 4.225 -8.987 -2.992 719 HB2 LYS 84 HB2 LYS 84 5.423 -10.007 -1.134 720 HB3 LYS 84 HB3 LYS 84 3.815 -9.511 -0.622 721 HG2 LYS 84 HG2 LYS 84 3.082 -11.888 -0.988 722 HG3 LYS 84 HG3 LYS 84 4.786 -12.295 -1.204 723 HD2 LYS 84 HD2 LYS 84 4.580 -12.703 1.034 724 HD3 LYS 84 HD3 LYS 84 5.013 -10.992 1.090 725 HE2 LYS 84 HE2 LYS 84 2.142 -11.824 0.937 726 HE3 LYS 84 HE3 LYS 84 2.994 -11.856 2.480 727 HZ1 LYS 84 HZ1 LYS 84 2.296 -9.736 2.574 728 HZ2 LYS 84 HZ2 LYS 84 2.112 -9.590 0.898 729 HZ3 LYS 84 HZ3 LYS 84 3.643 -9.430 1.598 730 H ALA 85 H ALA 85 6.473 -10.224 -2.986 731 HA ALA 85 HA ALA 85 6.565 -11.692 -5.395 732 HB1 ALA 85 HB1 ALA 85 8.471 -10.421 -4.849 733 HB2 ALA 85 HB2 ALA 85 8.611 -11.167 -3.257 734 HB3 ALA 85 HB3 ALA 85 8.971 -12.106 -4.706 735 H THR 86 H THR 86 7.474 -13.867 -5.665 736 HA THR 86 HA THR 86 6.225 -15.715 -3.794 737 HB THR 86 HB THR 86 7.687 -16.628 -6.240 738 HG1 THR 86 HG1 THR 86 6.474 -15.051 -7.164 739 HG21 THR 86 HG21 THR 86 5.298 -17.522 -4.653 740 HG22 THR 86 HG22 THR 86 6.784 -18.404 -5.002 741 HG23 THR 86 HG23 THR 86 5.601 -18.127 -6.281 742 H ASP 87 H ASP 87 7.336 -17.558 -2.946 743 HA ASP 87 HA ASP 87 9.814 -16.971 -1.776 744 HB2 ASP 87 HB2 ASP 87 7.977 -18.701 -1.103 745 HB3 ASP 87 HB3 ASP 87 8.880 -19.799 -2.143 746 H GLU 88 H GLU 88 11.828 -18.227 -2.004 747 HA GLU 88 HA GLU 88 12.356 -19.599 -4.462 748 HB2 GLU 88 HB2 GLU 88 12.378 -17.283 -5.274 749 HB3 GLU 88 HB3 GLU 88 13.574 -16.861 -4.056 750 HG2 GLU 88 HG2 GLU 88 15.141 -18.462 -5.094 751 HG3 GLU 88 HG3 GLU 88 13.949 -18.763 -6.357 752 H ASP 89 H ASP 89 14.294 -20.715 -4.426 753 HA ASP 89 HA ASP 89 15.825 -20.502 -1.916 754 HB2 ASP 89 HB2 ASP 89 14.393 -22.619 -2.400 755 HB3 ASP 89 HB3 ASP 89 15.676 -23.028 -3.536 Start of MODEL 18 1 HA MET -4 HA MET -4 -17.879 -26.475 -18.413 2 H1 MET -4 H1 MET -4 -18.031 -27.380 -20.744 3 HB2 MET -4 HB2 MET -4 -20.367 -26.124 -18.117 4 HB3 MET -4 HB3 MET -4 -19.704 -25.617 -19.665 5 HG2 MET -4 HG2 MET -4 -20.524 -27.655 -20.703 6 HG3 MET -4 HG3 MET -4 -21.153 -28.204 -19.151 7 HE1 MET -4 HE1 MET -4 -23.114 -28.338 -21.418 8 HE2 MET -4 HE2 MET -4 -23.983 -26.878 -21.891 9 HE3 MET -4 HE3 MET -4 -22.299 -27.096 -22.370 10 H GLY -3 H GLY -3 -17.448 -29.415 -18.325 11 HA2 GLY -3 HA2 GLY -3 -18.740 -29.858 -15.717 12 HA3 GLY -3 HA3 GLY -3 -18.812 -31.113 -16.944 13 H SER -2 H SER -2 -16.148 -28.969 -15.981 14 HA SER -2 HA SER -2 -14.472 -31.352 -15.637 15 HG SER -2 HG SER -2 -13.978 -29.025 -17.999 16 HB2 SER -2 HB2 SER -2 -13.730 -28.438 -15.993 17 HB3 SER -2 HB3 SER -2 -12.568 -29.744 -15.760 18 H SER -1 H SER -1 -13.596 -31.903 -13.724 19 HA SER -1 HA SER -1 -13.455 -30.025 -11.531 20 HG SER -1 HG SER -1 -14.686 -33.360 -10.690 21 HB2 SER -1 HB2 SER -1 -14.860 -31.275 -10.005 22 HB3 SER -1 HB3 SER -1 -15.804 -30.878 -11.441 23 H HIS 0 H HIS 0 -11.542 -30.370 -10.641 24 HA HIS 0 HA HIS 0 -10.680 -33.063 -9.996 25 HD1 HIS 0 HD1 HIS 0 -10.268 -32.248 -14.100 26 HD2 HIS 0 HD2 HIS 0 -9.342 -35.235 -11.365 27 HE1 HIS 0 HE1 HIS 0 -10.712 -34.416 -15.296 28 HB2 HIS 0 HB2 HIS 0 -9.291 -31.330 -12.015 29 HB3 HIS 0 HB3 HIS 0 -8.366 -32.464 -11.035 30 H HIS 1 H HIS 1 -8.517 -32.976 -8.803 31 HA HIS 1 HA HIS 1 -8.679 -30.791 -6.877 32 HD1 HIS 1 HD1 HIS 1 -9.796 -31.253 -5.053 33 HD2 HIS 1 HD2 HIS 1 -8.830 -35.266 -5.529 34 HE1 HIS 1 HE1 HIS 1 -11.604 -32.527 -3.856 35 HB2 HIS 1 HB2 HIS 1 -7.297 -33.469 -6.863 36 HB3 HIS 1 HB3 HIS 1 -6.976 -32.250 -5.633 37 H HIS 2 H HIS 2 -5.900 -32.581 -8.205 38 HA HIS 2 HA HIS 2 -4.684 -30.165 -9.203 39 HD1 HIS 2 HD1 HIS 2 -1.781 -32.856 -7.230 40 HD2 HIS 2 HD2 HIS 2 -5.075 -31.637 -5.011 41 HE1 HIS 2 HE1 HIS 2 -1.985 -34.523 -5.358 42 HB2 HIS 2 HB2 HIS 2 -2.612 -30.480 -7.796 43 HB3 HIS 2 HB3 HIS 2 -4.022 -29.883 -6.926 44 H HIS 3 H HIS 3 -3.811 -30.744 -11.068 45 HA HIS 3 HA HIS 3 -1.996 -32.942 -11.282 46 HD1 HIS 3 HD1 HIS 3 -1.627 -35.093 -11.268 47 HD2 HIS 3 HD2 HIS 3 -4.010 -35.359 -14.661 48 HE1 HIS 3 HE1 HIS 3 -0.768 -37.086 -12.538 49 HB2 HIS 3 HB2 HIS 3 -4.414 -33.910 -11.443 50 HB3 HIS 3 HB3 HIS 3 -4.401 -33.208 -13.058 51 H HIS 4 H HIS 4 -0.566 -32.572 -12.876 52 HA HIS 4 HA HIS 4 -1.223 -30.457 -14.820 53 HD1 HIS 4 HD1 HIS 4 1.033 -27.754 -14.749 54 HD2 HIS 4 HD2 HIS 4 -0.256 -29.704 -11.314 55 HE1 HIS 4 HE1 HIS 4 0.423 -25.930 -13.129 56 HB2 HIS 4 HB2 HIS 4 1.326 -31.094 -13.362 57 HB3 HIS 4 HB3 HIS 4 1.362 -30.216 -14.888 58 H HIS 5 H HIS 5 -2.050 -32.019 -16.295 59 HA HIS 5 HA HIS 5 0.053 -33.611 -17.609 60 HD1 HIS 5 HD1 HIS 5 -3.031 -36.550 -19.013 61 HD2 HIS 5 HD2 HIS 5 0.840 -35.847 -17.679 62 HE1 HIS 5 HE1 HIS 5 -1.642 -38.416 -19.968 63 HB2 HIS 5 HB2 HIS 5 -1.931 -34.804 -16.360 64 HB3 HIS 5 HB3 HIS 5 -2.832 -34.381 -17.813 65 H SER 6 H SER 6 -0.099 -31.113 -18.451 66 HA SER 6 HA SER 6 -1.096 -31.386 -21.146 67 HG SER 6 HG SER 6 -3.079 -28.787 -18.771 68 HB2 SER 6 HB2 SER 6 -2.418 -29.285 -21.075 69 HB3 SER 6 HB3 SER 6 -3.101 -30.544 -20.047 70 H SER 7 H SER 7 0.429 -30.612 -22.431 71 HA SER 7 HA SER 7 2.092 -28.381 -21.460 72 HG SER 7 HG SER 7 4.515 -28.883 -21.537 73 HB2 SER 7 HB2 SER 7 3.212 -30.685 -21.609 74 HB3 SER 7 HB3 SER 7 3.080 -30.507 -23.358 75 H GLY 8 H GLY 8 1.310 -26.658 -22.529 76 HA2 GLY 8 HA2 GLY 8 0.640 -26.923 -25.371 77 HA3 GLY 8 HA3 GLY 8 0.215 -25.571 -24.331 78 H LEU 9 H LEU 9 1.006 -24.183 -26.016 79 HA LEU 9 HA LEU 9 3.924 -23.871 -25.889 80 HG LEU 9 HG LEU 9 4.816 -22.526 -28.104 81 HB2 LEU 9 HB2 LEU 9 3.007 -24.920 -28.055 82 HB3 LEU 9 HB3 LEU 9 2.387 -23.307 -28.401 83 HD11 LEU 9 HD11 LEU 9 6.132 -24.764 -29.030 84 HD12 LEU 9 HD12 LEU 9 5.092 -25.395 -27.754 85 HD13 LEU 9 HD13 LEU 9 6.230 -24.095 -27.401 86 HD21 LEU 9 HD21 LEU 9 4.666 -24.270 -30.486 87 HD22 LEU 9 HD22 LEU 9 5.027 -22.549 -30.357 88 HD23 LEU 9 HD23 LEU 9 3.357 -23.108 -30.271 89 H VAL 10 H VAL 10 2.084 -22.513 -24.296 90 HA VAL 10 HA VAL 10 2.116 -19.805 -25.461 91 HB VAL 10 HB VAL 10 0.359 -19.319 -23.660 92 HG11 VAL 10 HG11 VAL 10 -0.905 -19.267 -25.483 93 HG12 VAL 10 HG12 VAL 10 0.154 -20.427 -26.287 94 HG13 VAL 10 HG13 VAL 10 -1.196 -20.997 -25.305 95 HG21 VAL 10 HG21 VAL 10 0.703 -21.370 -22.362 96 HG22 VAL 10 HG22 VAL 10 -0.966 -21.223 -22.913 97 HG23 VAL 10 HG23 VAL 10 0.139 -22.328 -23.730 98 HA PRO 11 HA PRO 11 4.833 -18.428 -22.300 99 HB2 PRO 11 HB2 PRO 11 3.942 -15.897 -21.884 100 HB3 PRO 11 HB3 PRO 11 4.822 -16.379 -23.340 101 HG2 PRO 11 HG2 PRO 11 1.875 -16.042 -22.932 102 HG3 PRO 11 HG3 PRO 11 2.881 -15.533 -24.301 103 HD2 PRO 11 HD2 PRO 11 1.356 -17.769 -24.366 104 HD3 PRO 11 HD3 PRO 11 2.899 -17.641 -25.234 105 H ARG 12 H ARG 12 4.594 -19.441 -20.379 106 HA ARG 12 HA ARG 12 2.287 -19.516 -18.808 107 HE ARG 12 HE ARG 12 1.083 -20.242 -17.414 108 HB2 ARG 12 HB2 ARG 12 4.384 -20.979 -18.657 109 HB3 ARG 12 HB3 ARG 12 5.079 -19.686 -17.689 110 HG2 ARG 12 HG2 ARG 12 4.243 -21.172 -16.115 111 HG3 ARG 12 HG3 ARG 12 2.992 -19.931 -16.219 112 HD2 ARG 12 HD2 ARG 12 2.820 -22.343 -17.968 113 HD3 ARG 12 HD3 ARG 12 2.359 -22.470 -16.271 114 HH11 ARG 12 HH11 ARG 12 1.026 -23.721 -17.517 115 HH12 ARG 12 HH12 ARG 12 -0.652 -23.811 -17.939 116 HH21 ARG 12 HH21 ARG 12 -1.127 -20.347 -17.970 117 HH22 ARG 12 HH22 ARG 12 -1.876 -21.892 -18.198 118 H GLY 13 H GLY 13 1.676 -18.418 -16.920 119 HA2 GLY 13 HA2 GLY 13 1.951 -16.737 -15.255 120 HA3 GLY 13 HA3 GLY 13 3.152 -15.962 -16.278 121 H SER 14 H SER 14 2.032 -13.970 -15.935 122 HA SER 14 HA SER 14 -0.629 -13.446 -16.451 123 HG SER 14 HG SER 14 0.437 -9.982 -17.042 124 HB2 SER 14 HB2 SER 14 0.601 -11.686 -15.493 125 HB3 SER 14 HB3 SER 14 1.846 -11.758 -16.741 126 H HIS 15 H HIS 15 -1.860 -13.523 -18.206 127 HA HIS 15 HA HIS 15 -0.540 -13.654 -20.834 128 HD1 HIS 15 HD1 HIS 15 -4.900 -14.130 -21.482 129 HD2 HIS 15 HD2 HIS 15 -3.368 -15.308 -17.805 130 HE1 HIS 15 HE1 HIS 15 -6.872 -14.198 -19.923 131 HB2 HIS 15 HB2 HIS 15 -2.502 -14.872 -21.620 132 HB3 HIS 15 HB3 HIS 15 -1.817 -15.669 -20.206 133 H MET 16 H MET 16 -1.539 -12.587 -22.626 134 HA MET 16 HA MET 16 -2.942 -10.146 -21.812 135 HB2 MET 16 HB2 MET 16 -1.493 -10.816 -24.380 136 HB3 MET 16 HB3 MET 16 -2.267 -9.276 -24.029 137 HG2 MET 16 HG2 MET 16 -0.136 -8.750 -23.474 138 HG3 MET 16 HG3 MET 16 -0.688 -9.367 -21.918 139 HE1 MET 16 HE1 MET 16 2.521 -9.195 -23.190 140 HE2 MET 16 HE2 MET 16 1.951 -9.332 -21.526 141 HE3 MET 16 HE3 MET 16 3.059 -10.538 -22.181 142 H SER 17 H SER 17 -4.460 -9.272 -23.591 143 HA SER 17 HA SER 17 -6.034 -11.446 -24.781 144 HG SER 17 HG SER 17 -8.206 -8.510 -23.567 145 HB2 SER 17 HB2 SER 17 -8.101 -10.562 -23.952 146 HB3 SER 17 HB3 SER 17 -7.016 -10.711 -22.571 147 H VAL 18 H VAL 18 -6.629 -11.063 -26.820 148 HA VAL 18 HA VAL 18 -5.836 -8.607 -28.087 149 HB VAL 18 HB VAL 18 -5.633 -10.844 -29.184 150 HG11 VAL 18 HG11 VAL 18 -7.384 -12.175 -29.630 151 HG12 VAL 18 HG12 VAL 18 -8.208 -11.228 -28.389 152 HG13 VAL 18 HG13 VAL 18 -8.419 -10.824 -30.093 153 HG21 VAL 18 HG21 VAL 18 -6.413 -8.365 -30.289 154 HG22 VAL 18 HG22 VAL 18 -5.497 -9.661 -31.058 155 HG23 VAL 18 HG23 VAL 18 -7.256 -9.624 -31.192 156 H ASP 19 H ASP 19 -8.557 -9.541 -26.409 157 HA ASP 19 HA ASP 19 -10.669 -8.489 -27.917 158 HB2 ASP 19 HB2 ASP 19 -10.978 -9.891 -25.907 159 HB3 ASP 19 HB3 ASP 19 -10.391 -8.565 -24.905 160 H ASP 20 H ASP 20 -8.109 -6.931 -26.266 161 HA ASP 20 HA ASP 20 -9.521 -4.362 -26.243 162 HB2 ASP 20 HB2 ASP 20 -8.416 -4.808 -24.173 163 HB3 ASP 20 HB3 ASP 20 -6.927 -5.268 -24.993 164 H ILE 21 H ILE 21 -7.060 -6.124 -27.908 165 HA ILE 21 HA ILE 21 -6.039 -3.742 -29.244 166 HB ILE 21 HB ILE 21 -5.253 -6.640 -29.573 167 HG12 ILE 21 HG12 ILE 21 -3.872 -4.371 -28.122 168 HG13 ILE 21 HG13 ILE 21 -4.714 -5.713 -27.353 169 HG21 ILE 21 HG21 ILE 21 -3.224 -4.868 -30.429 170 HG22 ILE 21 HG22 ILE 21 -4.149 -6.019 -31.393 171 HG23 ILE 21 HG23 ILE 21 -4.728 -4.364 -31.201 172 HD11 ILE 21 HD11 ILE 21 -3.095 -7.260 -28.412 173 HD12 ILE 21 HD12 ILE 21 -2.213 -5.857 -29.016 174 HD13 ILE 21 HD13 ILE 21 -2.363 -6.124 -27.278 175 H ILE 22 H ILE 22 -6.656 -3.091 -31.206 176 HA ILE 22 HA ILE 22 -8.113 -4.972 -32.932 177 HB ILE 22 HB ILE 22 -9.733 -3.292 -33.542 178 HG12 ILE 22 HG12 ILE 22 -8.332 -1.501 -31.545 179 HG13 ILE 22 HG13 ILE 22 -8.292 -1.313 -33.295 180 HG21 ILE 22 HG21 ILE 22 -10.964 -3.102 -31.442 181 HG22 ILE 22 HG22 ILE 22 -10.243 -4.701 -31.617 182 HG23 ILE 22 HG23 ILE 22 -9.503 -3.514 -30.544 183 HD11 ILE 22 HD11 ILE 22 -11.004 -1.414 -32.517 184 HD12 ILE 22 HD12 ILE 22 -10.175 -0.296 -31.434 185 HD13 ILE 22 HD13 ILE 22 -10.100 -0.053 -33.180 186 H ILE 23 H ILE 23 -8.587 -3.492 -35.103 187 HA ILE 23 HA ILE 23 -5.967 -3.163 -36.229 188 HB ILE 23 HB ILE 23 -8.679 -2.650 -37.455 189 HG12 ILE 23 HG12 ILE 23 -6.824 -5.036 -37.576 190 HG13 ILE 23 HG13 ILE 23 -8.419 -4.979 -36.833 191 HG21 ILE 23 HG21 ILE 23 -7.519 -2.716 -39.600 192 HG22 ILE 23 HG22 ILE 23 -6.901 -1.414 -38.585 193 HG23 ILE 23 HG23 ILE 23 -5.976 -2.904 -38.767 194 HD11 ILE 23 HD11 ILE 23 -7.742 -4.844 -39.754 195 HD12 ILE 23 HD12 ILE 23 -8.646 -6.095 -38.903 196 HD13 ILE 23 HD13 ILE 23 -9.345 -4.489 -39.111 197 H LYS 24 H LYS 24 -4.999 -1.303 -36.974 198 HA LYS 24 HA LYS 24 -4.415 0.896 -36.980 199 HB2 LYS 24 HB2 LYS 24 -7.398 1.047 -37.295 200 HB3 LYS 24 HB3 LYS 24 -6.438 2.516 -37.171 201 HG2 LYS 24 HG2 LYS 24 -5.103 1.752 -39.111 202 HG3 LYS 24 HG3 LYS 24 -6.187 0.368 -39.266 203 HD2 LYS 24 HD2 LYS 24 -7.987 1.690 -39.908 204 HD3 LYS 24 HD3 LYS 24 -7.282 3.155 -39.220 205 HE2 LYS 24 HE2 LYS 24 -6.082 1.703 -41.567 206 HE3 LYS 24 HE3 LYS 24 -7.276 2.988 -41.745 207 HZ1 LYS 24 HZ1 LYS 24 -5.499 4.319 -41.770 208 HZ2 LYS 24 HZ2 LYS 24 -4.475 3.159 -41.087 209 HZ3 LYS 24 HZ3 LYS 24 -5.465 4.103 -40.093 210 H CYS 25 H CYS 25 -4.378 -0.260 -34.492 211 HA CYS 25 HA CYS 25 -5.438 1.852 -32.734 212 HG CYS 25 HG CYS 25 -7.382 0.913 -30.811 213 HB2 CYS 25 HB2 CYS 25 -6.054 -0.724 -32.502 214 HB3 CYS 25 HB3 CYS 25 -4.529 -0.762 -31.625 215 H GLN 26 H GLN 26 -4.096 2.301 -30.790 216 HA GLN 26 HA GLN 26 -1.284 2.468 -31.582 217 HB2 GLN 26 HB2 GLN 26 -2.238 4.586 -31.017 218 HB3 GLN 26 HB3 GLN 26 -2.912 3.953 -29.521 219 HG2 GLN 26 HG2 GLN 26 -0.754 3.769 -28.535 220 HG3 GLN 26 HG3 GLN 26 0.038 4.128 -30.068 221 HE21 GLN 26 HE21 GLN 26 -1.060 6.280 -31.029 222 HE22 GLN 26 HE22 GLN 26 -0.984 7.614 -29.934 223 H CYS 27 H CYS 27 0.176 1.161 -30.717 224 HA CYS 27 HA CYS 27 -0.393 -0.038 -28.087 225 HG CYS 27 HG CYS 27 2.232 -2.197 -31.115 226 HB2 CYS 27 HB2 CYS 27 0.958 -2.012 -28.908 227 HB3 CYS 27 HB3 CYS 27 -0.608 -1.797 -29.680 228 H TRP 28 H TRP 28 1.024 0.495 -26.574 229 HA TRP 28 HA TRP 28 3.444 1.893 -27.247 230 HD1 TRP 28 HD1 TRP 28 0.330 3.205 -25.336 231 HE1 TRP 28 HE1 TRP 28 0.616 5.763 -25.355 232 HE3 TRP 28 HE3 TRP 28 5.432 3.453 -25.116 233 HZ2 TRP 28 HZ2 TRP 28 2.726 7.638 -25.286 234 HZ3 TRP 28 HZ3 TRP 28 6.505 5.667 -25.096 235 HH2 TRP 28 HH2 TRP 28 5.179 7.715 -25.180 236 HB2 TRP 28 HB2 TRP 28 1.984 1.219 -24.738 237 HB3 TRP 28 HB3 TRP 28 3.701 1.592 -24.612 238 H VAL 29 H VAL 29 5.478 1.135 -27.299 239 HA VAL 29 HA VAL 29 5.858 -1.735 -26.832 240 HB VAL 29 HB VAL 29 7.654 0.219 -28.277 241 HG11 VAL 29 HG11 VAL 29 7.859 -2.686 -27.644 242 HG12 VAL 29 HG12 VAL 29 8.512 -2.095 -29.173 243 HG13 VAL 29 HG13 VAL 29 9.108 -1.441 -27.647 244 HG21 VAL 29 HG21 VAL 29 5.445 -1.563 -29.176 245 HG22 VAL 29 HG22 VAL 29 5.895 0.049 -29.733 246 HG23 VAL 29 HG23 VAL 29 6.842 -1.353 -30.231 247 H GLN 30 H GLN 30 6.588 -2.248 -24.879 248 HA GLN 30 HA GLN 30 8.237 -0.368 -23.386 249 HB2 GLN 30 HB2 GLN 30 6.740 -2.870 -22.697 250 HB3 GLN 30 HB3 GLN 30 8.016 -2.296 -21.631 251 HG2 GLN 30 HG2 GLN 30 6.873 -0.211 -21.297 252 HG3 GLN 30 HG3 GLN 30 5.647 -0.651 -22.485 253 HE21 GLN 30 HE21 GLN 30 3.893 -0.628 -21.182 254 HE22 GLN 30 HE22 GLN 30 3.664 -1.700 -19.847 255 H LYS 31 H LYS 31 10.269 -0.421 -24.229 256 HA LYS 31 HA LYS 31 11.583 -2.891 -24.892 257 HB2 LYS 31 HB2 LYS 31 11.916 -0.366 -25.759 258 HB3 LYS 31 HB3 LYS 31 13.173 -0.412 -24.531 259 HG2 LYS 31 HG2 LYS 31 13.196 -2.763 -26.237 260 HG3 LYS 31 HG3 LYS 31 13.409 -1.259 -27.136 261 HD2 LYS 31 HD2 LYS 31 15.418 -0.813 -26.177 262 HD3 LYS 31 HD3 LYS 31 14.965 -1.543 -24.635 263 HE2 LYS 31 HE2 LYS 31 16.643 -2.930 -25.558 264 HE3 LYS 31 HE3 LYS 31 15.117 -3.781 -25.791 265 HZ1 LYS 31 HZ1 LYS 31 15.760 -3.951 -27.903 266 HZ2 LYS 31 HZ2 LYS 31 16.963 -2.773 -27.744 267 HZ3 LYS 31 HZ3 LYS 31 15.365 -2.313 -28.055 268 H ASN 32 H ASN 32 13.757 -3.411 -23.961 269 HA ASN 32 HA ASN 32 13.602 -4.035 -21.280 270 HB2 ASN 32 HB2 ASN 32 16.194 -3.537 -22.751 271 HB3 ASN 32 HB3 ASN 32 15.927 -4.623 -21.391 272 HD21 ASN 32 HD21 ASN 32 16.989 -5.155 -24.061 273 HD22 ASN 32 HD22 ASN 32 15.980 -6.384 -24.736 274 H ASP 33 H ASP 33 15.663 -1.472 -22.667 275 HA ASP 33 HA ASP 33 15.354 0.005 -20.136 276 HB2 ASP 33 HB2 ASP 33 17.817 -0.463 -21.798 277 HB3 ASP 33 HB3 ASP 33 17.695 0.932 -20.730 278 H GLU 34 H GLU 34 14.003 0.104 -22.847 279 HA GLU 34 HA GLU 34 14.253 3.002 -23.182 280 HB2 GLU 34 HB2 GLU 34 14.500 0.944 -25.367 281 HB3 GLU 34 HB3 GLU 34 14.014 2.600 -25.703 282 HG2 GLU 34 HG2 GLU 34 16.530 2.008 -24.198 283 HG3 GLU 34 HG3 GLU 34 16.485 1.960 -25.959 284 H GLU 35 H GLU 35 12.443 3.771 -24.751 285 HA GLU 35 HA GLU 35 10.009 2.176 -24.426 286 HB2 GLU 35 HB2 GLU 35 10.465 4.084 -22.621 287 HB3 GLU 35 HB3 GLU 35 9.789 5.095 -23.890 288 HG2 GLU 35 HG2 GLU 35 7.733 3.950 -23.850 289 HG3 GLU 35 HG3 GLU 35 8.400 2.632 -22.888 290 H ARG 36 H ARG 36 8.983 2.035 -26.301 291 HA ARG 36 HA ARG 36 9.135 4.293 -28.178 292 HE ARG 36 HE ARG 36 13.128 3.318 -31.298 293 HB2 ARG 36 HB2 ARG 36 9.474 1.363 -28.833 294 HB3 ARG 36 HB3 ARG 36 9.232 2.620 -30.039 295 HG2 ARG 36 HG2 ARG 36 11.455 2.958 -28.101 296 HG3 ARG 36 HG3 ARG 36 11.636 1.759 -29.383 297 HD2 ARG 36 HD2 ARG 36 10.883 3.654 -30.958 298 HD3 ARG 36 HD3 ARG 36 11.265 4.725 -29.611 299 HH11 ARG 36 HH11 ARG 36 12.634 4.873 -28.223 300 HH12 ARG 36 HH12 ARG 36 14.316 5.201 -27.971 301 HH21 ARG 36 HH21 ARG 36 15.346 3.744 -30.978 302 HH22 ARG 36 HH22 ARG 36 15.858 4.559 -29.539 303 H LEU 37 H LEU 37 7.485 3.808 -30.066 304 HA LEU 37 HA LEU 37 5.032 2.621 -28.995 305 HG LEU 37 HG LEU 37 2.988 3.819 -28.667 306 HB2 LEU 37 HB2 LEU 37 5.186 5.149 -28.607 307 HB3 LEU 37 HB3 LEU 37 4.986 5.298 -30.351 308 HD11 LEU 37 HD11 LEU 37 2.405 6.606 -29.428 309 HD12 LEU 37 HD12 LEU 37 3.553 6.384 -28.109 310 HD13 LEU 37 HD13 LEU 37 1.934 5.695 -27.994 311 HD21 LEU 37 HD21 LEU 37 1.866 5.226 -30.841 312 HD22 LEU 37 HD22 LEU 37 2.037 3.482 -30.641 313 HD23 LEU 37 HD23 LEU 37 3.309 4.407 -31.440 314 H ALA 38 H ALA 38 3.728 1.680 -30.504 315 HA ALA 38 HA ALA 38 4.369 2.072 -33.339 316 HB1 ALA 38 HB1 ALA 38 5.638 0.116 -32.617 317 HB2 ALA 38 HB2 ALA 38 4.156 -0.632 -32.021 318 HB3 ALA 38 HB3 ALA 38 4.361 -0.334 -33.747 319 H GLU 39 H GLU 39 2.702 0.823 -34.722 320 HA GLU 39 HA GLU 39 0.047 1.119 -33.477 321 HB2 GLU 39 HB2 GLU 39 0.927 2.750 -35.390 322 HB3 GLU 39 HB3 GLU 39 0.366 1.440 -36.420 323 HG2 GLU 39 HG2 GLU 39 -1.853 1.595 -35.367 324 HG3 GLU 39 HG3 GLU 39 -1.278 2.958 -34.408 325 H ILE 40 H ILE 40 -1.671 -0.180 -34.502 326 HA ILE 40 HA ILE 40 -0.619 -2.815 -35.266 327 HB ILE 40 HB ILE 40 -3.344 -2.079 -34.190 328 HG12 ILE 40 HG12 ILE 40 -1.539 -1.875 -32.524 329 HG13 ILE 40 HG13 ILE 40 -2.618 -3.213 -32.148 330 HG21 ILE 40 HG21 ILE 40 -3.637 -3.975 -35.557 331 HG22 ILE 40 HG22 ILE 40 -2.133 -4.706 -35.001 332 HG23 ILE 40 HG23 ILE 40 -3.514 -4.596 -33.911 333 HD11 ILE 40 HD11 ILE 40 0.126 -3.380 -33.363 334 HD12 ILE 40 HD12 ILE 40 -0.368 -3.901 -31.753 335 HD13 ILE 40 HD13 ILE 40 -0.967 -4.752 -33.177 336 H LEU 41 H LEU 41 -0.959 -3.610 -37.239 337 HA LEU 41 HA LEU 41 -2.743 -2.123 -39.038 338 HG LEU 41 HG LEU 41 0.342 -1.701 -39.058 339 HB2 LEU 41 HB2 LEU 41 -0.408 -3.943 -39.581 340 HB3 LEU 41 HB3 LEU 41 -1.472 -3.323 -40.842 341 HD11 LEU 41 HD11 LEU 41 0.419 -2.245 -42.022 342 HD12 LEU 41 HD12 LEU 41 1.506 -2.932 -40.817 343 HD13 LEU 41 HD13 LEU 41 1.521 -1.197 -41.129 344 HD21 LEU 41 HD21 LEU 41 -1.942 -0.965 -40.763 345 HD22 LEU 41 HD22 LEU 41 -0.479 -0.008 -40.993 346 HD23 LEU 41 HD23 LEU 41 -1.220 -0.114 -39.396 347 H SER 42 H SER 42 -2.011 -5.323 -37.796 348 HA SER 42 HA SER 42 -4.650 -6.253 -38.243 349 HG SER 42 HG SER 42 -3.738 -9.080 -39.956 350 HB2 SER 42 HB2 SER 42 -3.904 -6.418 -40.567 351 HB3 SER 42 HB3 SER 42 -2.510 -7.376 -40.068 352 H ILE 43 H ILE 43 -4.846 -8.622 -37.706 353 HA ILE 43 HA ILE 43 -2.681 -9.487 -35.908 354 HB ILE 43 HB ILE 43 -5.603 -9.883 -35.291 355 HG12 ILE 43 HG12 ILE 43 -5.199 -7.497 -35.257 356 HG13 ILE 43 HG13 ILE 43 -5.306 -8.079 -33.599 357 HG21 ILE 43 HG21 ILE 43 -3.838 -11.415 -34.322 358 HG22 ILE 43 HG22 ILE 43 -3.241 -10.012 -33.436 359 HG23 ILE 43 HG23 ILE 43 -4.881 -10.597 -33.159 360 HD11 ILE 43 HD11 ILE 43 -2.601 -8.229 -34.275 361 HD12 ILE 43 HD12 ILE 43 -3.173 -6.686 -34.909 362 HD13 ILE 43 HD13 ILE 43 -3.382 -7.069 -33.200 363 H ASN 44 H ASN 44 -2.154 -11.612 -35.970 364 HA ASN 44 HA ASN 44 -3.656 -13.285 -37.868 365 HB2 ASN 44 HB2 ASN 44 -0.785 -12.926 -37.307 366 HB3 ASN 44 HB3 ASN 44 -1.291 -14.601 -37.507 367 HD21 ASN 44 HD21 ASN 44 -0.487 -11.714 -39.056 368 HD22 ASN 44 HD22 ASN 44 -0.892 -12.179 -40.670 369 H THR 45 H THR 45 -4.621 -15.090 -37.179 370 HA THR 45 HA THR 45 -4.089 -15.961 -34.414 371 HB THR 45 HB THR 45 -6.377 -16.878 -34.390 372 HG1 THR 45 HG1 THR 45 -6.822 -15.499 -36.832 373 HG21 THR 45 HG21 THR 45 -6.875 -14.905 -33.483 374 HG22 THR 45 HG22 THR 45 -7.296 -14.311 -35.088 375 HG23 THR 45 HG23 THR 45 -5.657 -14.100 -34.471 376 H ARG 46 H ARG 46 -2.444 -16.889 -36.455 377 HA ARG 46 HA ARG 46 -3.416 -19.542 -37.176 378 HE ARG 46 HE ARG 46 -1.767 -21.898 -40.698 379 HB2 ARG 46 HB2 ARG 46 -2.117 -17.970 -38.746 380 HB3 ARG 46 HB3 ARG 46 -0.696 -18.427 -37.816 381 HG2 ARG 46 HG2 ARG 46 -0.586 -19.931 -39.529 382 HG3 ARG 46 HG3 ARG 46 -1.510 -20.859 -38.346 383 HD2 ARG 46 HD2 ARG 46 -3.595 -20.048 -39.462 384 HD3 ARG 46 HD3 ARG 46 -2.580 -19.331 -40.713 385 HH11 ARG 46 HH11 ARG 46 -4.916 -20.421 -40.857 386 HH12 ARG 46 HH12 ARG 46 -5.614 -21.704 -41.789 387 HH21 ARG 46 HH21 ARG 46 -2.675 -23.593 -41.924 388 HH22 ARG 46 HH22 ARG 46 -4.339 -23.508 -42.395 389 H LYS 47 H LYS 47 -1.345 -17.996 -34.891 390 HA LYS 47 HA LYS 47 -0.429 -20.634 -33.945 391 HB2 LYS 47 HB2 LYS 47 0.961 -17.974 -34.015 392 HB3 LYS 47 HB3 LYS 47 1.427 -19.189 -32.832 393 HG2 LYS 47 HG2 LYS 47 1.537 -20.721 -34.985 394 HG3 LYS 47 HG3 LYS 47 1.791 -19.163 -35.775 395 HD2 LYS 47 HD2 LYS 47 3.945 -19.971 -35.254 396 HD3 LYS 47 HD3 LYS 47 3.594 -18.742 -34.037 397 HE2 LYS 47 HE2 LYS 47 4.584 -20.653 -32.962 398 HE3 LYS 47 HE3 LYS 47 2.890 -20.541 -32.489 399 HZ1 LYS 47 HZ1 LYS 47 4.247 -22.635 -33.879 400 HZ2 LYS 47 HZ2 LYS 47 2.866 -22.123 -34.712 401 HZ3 LYS 47 HZ3 LYS 47 2.740 -22.654 -33.111 402 H ALA 48 H ALA 48 0.275 -20.406 -31.511 403 HA ALA 48 HA ALA 48 -1.664 -18.768 -30.041 404 HB1 ALA 48 HB1 ALA 48 -1.401 -21.749 -29.925 405 HB2 ALA 48 HB2 ALA 48 -1.993 -20.835 -28.536 406 HB3 ALA 48 HB3 ALA 48 -2.856 -20.762 -30.073 407 HA PRO 49 HA PRO 49 -1.820 -17.485 -28.623 408 HB2 PRO 49 HB2 PRO 49 -0.622 -15.094 -28.156 409 HB3 PRO 49 HB3 PRO 49 -1.113 -16.192 -26.860 410 HG2 PRO 49 HG2 PRO 49 1.593 -15.785 -28.073 411 HG3 PRO 49 HG3 PRO 49 1.148 -15.969 -26.367 412 HD2 PRO 49 HD2 PRO 49 2.168 -18.004 -27.834 413 HD3 PRO 49 HD3 PRO 49 1.000 -18.264 -26.523 414 HA PRO 50 HA PRO 50 -1.461 -15.937 -32.723 415 HB2 PRO 50 HB2 PRO 50 -2.957 -13.672 -32.645 416 HB3 PRO 50 HB3 PRO 50 -3.662 -15.292 -32.581 417 HG2 PRO 50 HG2 PRO 50 -3.095 -13.383 -30.346 418 HG3 PRO 50 HG3 PRO 50 -4.525 -14.395 -30.617 419 HD2 PRO 50 HD2 PRO 50 -2.568 -15.074 -28.872 420 HD3 PRO 50 HD3 PRO 50 -3.503 -16.283 -29.776 421 H LYS 51 H LYS 51 -0.830 -14.028 -34.058 422 HA LYS 51 HA LYS 51 1.342 -12.579 -32.726 423 HB2 LYS 51 HB2 LYS 51 0.834 -13.494 -35.513 424 HB3 LYS 51 HB3 LYS 51 1.783 -12.028 -35.299 425 HG2 LYS 51 HG2 LYS 51 3.352 -13.754 -35.426 426 HG3 LYS 51 HG3 LYS 51 3.228 -13.384 -33.705 427 HD2 LYS 51 HD2 LYS 51 3.198 -15.732 -33.831 428 HD3 LYS 51 HD3 LYS 51 1.513 -15.265 -33.590 429 HE2 LYS 51 HE2 LYS 51 2.458 -15.508 -36.386 430 HE3 LYS 51 HE3 LYS 51 2.291 -17.003 -35.467 431 HZ1 LYS 51 HZ1 LYS 51 0.153 -16.908 -36.020 432 HZ2 LYS 51 HZ2 LYS 51 0.265 -15.311 -36.567 433 HZ3 LYS 51 HZ3 LYS 51 0.001 -15.627 -34.927 434 H PHE 52 H PHE 52 1.781 -10.367 -33.919 435 HA PHE 52 HA PHE 52 -0.702 -8.935 -34.461 436 HD1 PHE 52 HD1 PHE 52 -2.350 -8.575 -32.085 437 HD2 PHE 52 HD2 PHE 52 1.598 -9.611 -30.881 438 HE1 PHE 52 HE1 PHE 52 -3.271 -9.965 -30.276 439 HE2 PHE 52 HE2 PHE 52 0.685 -11.004 -29.070 440 HZ PHE 52 HZ PHE 52 -1.753 -11.182 -28.765 441 HB2 PHE 52 HB2 PHE 52 1.245 -7.855 -32.427 442 HB3 PHE 52 HB3 PHE 52 -0.373 -7.269 -32.799 443 H TYR 53 H TYR 53 -0.458 -7.541 -36.085 444 HA TYR 53 HA TYR 53 2.159 -7.163 -37.240 445 HD1 TYR 53 HD1 TYR 53 2.700 -5.231 -38.827 446 HD2 TYR 53 HD2 TYR 53 -0.023 -7.977 -40.602 447 HE1 TYR 53 HE1 TYR 53 4.069 -5.260 -40.870 448 HE2 TYR 53 HE2 TYR 53 1.339 -8.014 -42.649 449 HH TYR 53 HH TYR 53 4.227 -7.335 -42.949 450 HB2 TYR 53 HB2 TYR 53 -0.277 -7.418 -38.355 451 HB3 TYR 53 HB3 TYR 53 -0.167 -5.662 -38.308 452 H VAL 54 H VAL 54 3.476 -5.671 -36.436 453 HA VAL 54 HA VAL 54 2.375 -3.233 -35.256 454 HB VAL 54 HB VAL 54 4.709 -2.813 -34.502 455 HG11 VAL 54 HG11 VAL 54 4.316 -5.519 -33.490 456 HG12 VAL 54 HG12 VAL 54 4.280 -3.973 -32.639 457 HG13 VAL 54 HG13 VAL 54 2.842 -4.551 -33.483 458 HG21 VAL 54 HG21 VAL 54 5.264 -5.562 -35.614 459 HG22 VAL 54 HG22 VAL 54 5.824 -4.050 -36.328 460 HG23 VAL 54 HG23 VAL 54 6.392 -4.534 -34.730 461 H HIS 55 H HIS 55 3.028 -1.157 -35.890 462 HA HIS 55 HA HIS 55 4.556 -0.918 -38.373 463 HD1 HIS 55 HD1 HIS 55 1.019 1.928 -39.697 464 HD2 HIS 55 HD2 HIS 55 4.906 0.601 -40.327 465 HE1 HIS 55 HE1 HIS 55 1.968 3.442 -41.467 466 HB2 HIS 55 HB2 HIS 55 2.236 -1.025 -39.108 467 HB3 HIS 55 HB3 HIS 55 1.790 0.240 -37.967 468 H TYR 56 H TYR 56 5.783 0.897 -38.497 469 HA TYR 56 HA TYR 56 5.746 2.649 -36.148 470 HD1 TYR 56 HD1 TYR 56 7.936 1.963 -34.579 471 HD2 TYR 56 HD2 TYR 56 8.376 0.061 -38.359 472 HE1 TYR 56 HE1 TYR 56 8.790 -0.053 -33.459 473 HE2 TYR 56 HE2 TYR 56 9.230 -1.961 -37.249 474 HH TYR 56 HH TYR 56 10.319 -2.035 -34.150 475 HB2 TYR 56 HB2 TYR 56 7.886 2.362 -38.265 476 HB3 TYR 56 HB3 TYR 56 8.019 3.255 -36.754 477 H VAL 57 H VAL 57 5.592 4.860 -36.299 478 HA VAL 57 HA VAL 57 4.509 5.869 -38.822 479 HB VAL 57 HB VAL 57 3.773 7.820 -37.508 480 HG11 VAL 57 HG11 VAL 57 2.952 5.263 -36.145 481 HG12 VAL 57 HG12 VAL 57 2.000 6.734 -36.348 482 HG13 VAL 57 HG13 VAL 57 2.393 5.736 -37.748 483 HG21 VAL 57 HG21 VAL 57 4.832 8.309 -35.614 484 HG22 VAL 57 HG22 VAL 57 4.032 6.926 -34.868 485 HG23 VAL 57 HG23 VAL 57 5.628 6.736 -35.594 486 H ASN 58 H ASN 58 5.593 7.222 -40.103 487 HA ASN 58 HA ASN 58 7.319 8.437 -40.959 488 HB2 ASN 58 HB2 ASN 58 7.369 9.602 -38.166 489 HB3 ASN 58 HB3 ASN 58 8.051 10.344 -39.610 490 HD21 ASN 58 HD21 ASN 58 6.489 10.731 -41.398 491 HD22 ASN 58 HD22 ASN 58 4.904 11.269 -40.968 492 H TYR 59 H TYR 59 7.980 5.867 -39.775 493 HA TYR 59 HA TYR 59 10.736 6.376 -38.874 494 HD1 TYR 59 HD1 TYR 59 12.248 3.829 -38.864 495 HD2 TYR 59 HD2 TYR 59 9.939 4.841 -35.437 496 HE1 TYR 59 HE1 TYR 59 14.203 3.410 -37.431 497 HE2 TYR 59 HE2 TYR 59 11.887 4.425 -33.994 498 HH TYR 59 HH TYR 59 14.696 2.856 -35.108 499 HB2 TYR 59 HB2 TYR 59 8.950 4.968 -37.508 500 HB3 TYR 59 HB3 TYR 59 9.474 3.686 -38.594 501 H ASN 60 H ASN 60 8.966 3.794 -40.590 502 HA ASN 60 HA ASN 60 10.535 3.998 -42.943 503 HB2 ASN 60 HB2 ASN 60 12.051 2.874 -41.104 504 HB3 ASN 60 HB3 ASN 60 11.107 1.441 -41.497 505 HD21 ASN 60 HD21 ASN 60 13.745 1.352 -41.920 506 HD22 ASN 60 HD22 ASN 60 14.102 1.409 -43.610 507 H LYS 61 H LYS 61 9.980 2.362 -44.537 508 HA LYS 61 HA LYS 61 7.261 1.379 -44.113 509 HB2 LYS 61 HB2 LYS 61 7.121 1.180 -46.513 510 HB3 LYS 61 HB3 LYS 61 7.776 2.762 -46.112 511 HG2 LYS 61 HG2 LYS 61 10.076 1.651 -46.457 512 HG3 LYS 61 HG3 LYS 61 9.165 0.392 -47.294 513 HD2 LYS 61 HD2 LYS 61 9.713 1.817 -49.029 514 HD3 LYS 61 HD3 LYS 61 8.106 2.394 -48.580 515 HE2 LYS 61 HE2 LYS 61 8.945 4.288 -47.528 516 HE3 LYS 61 HE3 LYS 61 10.550 3.586 -47.329 517 HZ1 LYS 61 HZ1 LYS 61 10.038 3.691 -50.057 518 HZ2 LYS 61 HZ2 LYS 61 11.150 4.615 -49.178 519 HZ3 LYS 61 HZ3 LYS 61 9.581 5.193 -49.429 520 H ARG 62 H ARG 62 10.508 0.249 -44.531 521 HA ARG 62 HA ARG 62 9.726 -2.467 -45.141 522 HE ARG 62 HE ARG 62 14.138 -1.045 -46.486 523 HB2 ARG 62 HB2 ARG 62 12.158 -2.937 -44.982 524 HB3 ARG 62 HB3 ARG 62 11.777 -1.643 -46.111 525 HG2 ARG 62 HG2 ARG 62 12.719 -0.023 -44.791 526 HG3 ARG 62 HG3 ARG 62 12.482 -0.945 -43.305 527 HD2 ARG 62 HD2 ARG 62 14.813 -0.953 -43.761 528 HD3 ARG 62 HD3 ARG 62 14.207 -2.561 -44.153 529 HH11 ARG 62 HH11 ARG 62 16.494 -2.309 -44.257 530 HH12 ARG 62 HH12 ARG 62 17.742 -2.447 -45.451 531 HH21 ARG 62 HH21 ARG 62 15.772 -1.223 -48.068 532 HH22 ARG 62 HH22 ARG 62 17.330 -1.829 -47.618 533 H LEU 63 H LEU 63 10.481 -0.567 -42.344 534 HA LEU 63 HA LEU 63 11.156 -2.663 -40.571 535 HG LEU 63 HG LEU 63 12.452 0.050 -40.786 536 HB2 LEU 63 HB2 LEU 63 10.096 0.117 -40.163 537 HB3 LEU 63 HB3 LEU 63 10.410 -0.969 -38.811 538 HD11 LEU 63 HD11 LEU 63 12.617 0.614 -37.890 539 HD12 LEU 63 HD12 LEU 63 11.377 1.477 -38.799 540 HD13 LEU 63 HD13 LEU 63 13.070 1.612 -39.272 541 HD21 LEU 63 HD21 LEU 63 12.676 -1.830 -38.444 542 HD22 LEU 63 HD22 LEU 63 14.057 -1.004 -39.166 543 HD23 LEU 63 HD23 LEU 63 13.107 -2.137 -40.127 544 H ASP 64 H ASP 64 8.112 -1.317 -41.642 545 HA ASP 64 HA ASP 64 6.372 -2.226 -39.701 546 HB2 ASP 64 HB2 ASP 64 5.638 -0.809 -41.541 547 HB3 ASP 64 HB3 ASP 64 5.941 -2.106 -42.693 548 H GLU 65 H GLU 65 6.517 -4.204 -38.826 549 HA GLU 65 HA GLU 65 6.108 -6.497 -40.599 550 HB2 GLU 65 HB2 GLU 65 7.799 -7.817 -39.450 551 HB3 GLU 65 HB3 GLU 65 8.525 -6.381 -40.158 552 HG2 GLU 65 HG2 GLU 65 8.733 -5.328 -38.060 553 HG3 GLU 65 HG3 GLU 65 7.681 -6.509 -37.281 554 H TRP 66 H TRP 66 5.979 -8.543 -38.940 555 HA TRP 66 HA TRP 66 4.033 -7.740 -36.877 556 HD1 TRP 66 HD1 TRP 66 4.547 -9.218 -40.745 557 HE1 TRP 66 HE1 TRP 66 5.419 -11.428 -41.734 558 HE3 TRP 66 HE3 TRP 66 3.593 -12.309 -36.787 559 HZ2 TRP 66 HZ2 TRP 66 5.670 -14.125 -40.940 560 HZ3 TRP 66 HZ3 TRP 66 4.178 -14.691 -36.983 561 HH2 TRP 66 HH2 TRP 66 5.195 -15.578 -39.018 562 HB2 TRP 66 HB2 TRP 66 2.961 -9.989 -37.303 563 HB3 TRP 66 HB3 TRP 66 2.811 -8.823 -38.616 564 H ILE 67 H ILE 67 4.318 -8.509 -34.863 565 HA ILE 67 HA ILE 67 6.238 -10.693 -34.449 566 HB ILE 67 HB ILE 67 7.082 -9.461 -32.420 567 HG12 ILE 67 HG12 ILE 67 5.877 -7.049 -33.788 568 HG13 ILE 67 HG13 ILE 67 5.161 -7.832 -32.383 569 HG21 ILE 67 HG21 ILE 67 7.938 -9.429 -35.010 570 HG22 ILE 67 HG22 ILE 67 7.875 -7.710 -34.624 571 HG23 ILE 67 HG23 ILE 67 8.845 -8.801 -33.635 572 HD11 ILE 67 HD11 ILE 67 6.995 -7.238 -31.012 573 HD12 ILE 67 HD12 ILE 67 7.949 -6.717 -32.400 574 HD13 ILE 67 HD13 ILE 67 6.529 -5.793 -31.908 575 H THR 68 H THR 68 6.213 -11.117 -31.876 576 HA THR 68 HA THR 68 3.398 -11.666 -31.267 577 HB THR 68 HB THR 68 4.231 -13.333 -29.671 578 HG1 THR 68 HG1 THR 68 6.844 -12.783 -30.642 579 HG21 THR 68 HG21 THR 68 5.118 -13.410 -32.521 580 HG22 THR 68 HG22 THR 68 3.877 -14.361 -31.705 581 HG23 THR 68 HG23 THR 68 5.583 -14.723 -31.440 582 H THR 69 H THR 69 3.277 -11.974 -28.647 583 HA THR 69 HA THR 69 3.588 -9.268 -27.651 584 HB THR 69 HB THR 69 1.477 -10.555 -27.294 585 HG1 THR 69 HG1 THR 69 1.194 -9.525 -25.425 586 HG21 THR 69 HG21 THR 69 2.839 -12.703 -26.765 587 HG22 THR 69 HG22 THR 69 1.341 -12.399 -25.886 588 HG23 THR 69 HG23 THR 69 2.894 -12.059 -25.124 589 H ASP 70 H ASP 70 5.650 -11.735 -27.844 590 HA ASP 70 HA ASP 70 6.634 -12.184 -25.273 591 HB2 ASP 70 HB2 ASP 70 7.300 -13.446 -27.322 592 HB3 ASP 70 HB3 ASP 70 8.260 -12.055 -27.820 593 H ARG 71 H ARG 71 7.039 -9.474 -27.425 594 HA ARG 71 HA ARG 71 8.832 -8.213 -25.454 595 HE ARG 71 HE ARG 71 10.178 -4.833 -27.931 596 HB2 ARG 71 HB2 ARG 71 9.886 -7.000 -27.180 597 HB3 ARG 71 HB3 ARG 71 9.734 -8.638 -27.801 598 HG2 ARG 71 HG2 ARG 71 8.969 -7.579 -29.627 599 HG3 ARG 71 HG3 ARG 71 7.447 -7.579 -28.733 600 HD2 ARG 71 HD2 ARG 71 7.928 -5.370 -29.649 601 HD3 ARG 71 HD3 ARG 71 7.939 -5.343 -27.886 602 HH11 ARG 71 HH11 ARG 71 9.143 -5.838 -31.100 603 HH12 ARG 71 HH12 ARG 71 10.619 -5.366 -31.874 604 HH21 ARG 71 HH21 ARG 71 12.126 -4.207 -28.940 605 HH22 ARG 71 HH22 ARG 71 12.316 -4.439 -30.645 606 H ILE 72 H ILE 72 5.814 -8.076 -27.049 607 HA ILE 72 HA ILE 72 5.400 -5.270 -26.310 608 HB ILE 72 HB ILE 72 3.649 -7.112 -27.942 609 HG12 ILE 72 HG12 ILE 72 5.193 -4.718 -28.922 610 HG13 ILE 72 HG13 ILE 72 5.899 -6.330 -28.903 611 HG21 ILE 72 HG21 ILE 72 2.139 -5.602 -27.089 612 HG22 ILE 72 HG22 ILE 72 3.327 -4.303 -26.997 613 HG23 ILE 72 HG23 ILE 72 2.656 -4.775 -28.558 614 HD11 ILE 72 HD11 ILE 72 4.676 -5.347 -31.026 615 HD12 ILE 72 HD12 ILE 72 4.609 -7.061 -30.618 616 HD13 ILE 72 HD13 ILE 72 3.260 -6.003 -30.205 617 H ASN 73 H ASN 73 3.844 -4.620 -24.867 618 HA ASN 73 HA ASN 73 2.552 -6.765 -23.312 619 HB2 ASN 73 HB2 ASN 73 4.386 -5.376 -22.180 620 HB3 ASN 73 HB3 ASN 73 3.240 -4.039 -22.223 621 HD21 ASN 73 HD21 ASN 73 3.224 -7.490 -21.380 622 HD22 ASN 73 HD22 ASN 73 2.356 -7.295 -19.898 623 H LEU 74 H LEU 74 0.401 -6.643 -22.943 624 HA LEU 74 HA LEU 74 -1.250 -5.134 -24.585 625 HG LEU 74 HG LEU 74 -3.779 -5.219 -23.811 626 HB2 LEU 74 HB2 LEU 74 -1.684 -7.228 -23.050 627 HB3 LEU 74 HB3 LEU 74 -2.238 -6.002 -21.912 628 HD11 LEU 74 HD11 LEU 74 -4.165 -6.555 -25.624 629 HD12 LEU 74 HD12 LEU 74 -3.604 -8.015 -24.811 630 HD13 LEU 74 HD13 LEU 74 -2.438 -6.831 -25.400 631 HD21 LEU 74 HD21 LEU 74 -5.187 -7.480 -23.304 632 HD22 LEU 74 HD22 LEU 74 -5.062 -6.112 -22.198 633 HD23 LEU 74 HD23 LEU 74 -4.009 -7.512 -21.991 634 H ASP 75 H ASP 75 -2.793 -3.456 -24.040 635 HA ASP 75 HA ASP 75 -1.645 -1.521 -22.147 636 HB2 ASP 75 HB2 ASP 75 -3.454 -1.112 -24.537 637 HB3 ASP 75 HB3 ASP 75 -2.952 0.172 -23.440 638 H LYS 76 H LYS 76 -3.456 -3.767 -21.473 639 HA LYS 76 HA LYS 76 -5.346 -2.220 -19.910 640 HB2 LYS 76 HB2 LYS 76 -6.142 -4.011 -22.148 641 HB3 LYS 76 HB3 LYS 76 -7.107 -4.078 -20.679 642 HG2 LYS 76 HG2 LYS 76 -7.231 -1.520 -20.892 643 HG3 LYS 76 HG3 LYS 76 -6.689 -1.781 -22.552 644 HD2 LYS 76 HD2 LYS 76 -8.970 -1.826 -22.831 645 HD3 LYS 76 HD3 LYS 76 -8.636 -3.541 -22.577 646 HE2 LYS 76 HE2 LYS 76 -10.469 -3.085 -21.193 647 HE3 LYS 76 HE3 LYS 76 -9.082 -3.081 -20.105 648 HZ1 LYS 76 HZ1 LYS 76 -10.844 -1.177 -20.030 649 HZ2 LYS 76 HZ2 LYS 76 -9.931 -0.545 -21.306 650 HZ3 LYS 76 HZ3 LYS 76 -9.202 -0.835 -19.808 651 H GLU 77 H GLU 77 -6.478 -3.587 -18.293 652 HA GLU 77 HA GLU 77 -4.637 -5.296 -16.984 653 HB2 GLU 77 HB2 GLU 77 -6.407 -5.648 -15.346 654 HB3 GLU 77 HB3 GLU 77 -6.289 -3.945 -15.768 655 HG2 GLU 77 HG2 GLU 77 -8.222 -5.603 -17.282 656 HG3 GLU 77 HG3 GLU 77 -8.607 -5.211 -15.607 657 H VAL 78 H VAL 78 -5.097 -7.534 -16.309 658 HA VAL 78 HA VAL 78 -5.832 -9.126 -18.605 659 HB VAL 78 HB VAL 78 -5.047 -10.147 -15.879 660 HG11 VAL 78 HG11 VAL 78 -4.196 -12.062 -17.240 661 HG12 VAL 78 HG12 VAL 78 -5.948 -11.859 -17.284 662 HG13 VAL 78 HG13 VAL 78 -4.963 -11.331 -18.649 663 HG21 VAL 78 HG21 VAL 78 -3.298 -9.245 -18.161 664 HG22 VAL 78 HG22 VAL 78 -3.310 -8.641 -16.504 665 HG23 VAL 78 HG23 VAL 78 -2.732 -10.272 -16.843 666 H LEU 79 H LEU 79 -7.385 -10.827 -18.575 667 HA LEU 79 HA LEU 79 -9.480 -10.552 -16.527 668 HG LEU 79 HG LEU 79 -9.890 -8.397 -18.064 669 HB2 LEU 79 HB2 LEU 79 -9.739 -10.536 -19.508 670 HB3 LEU 79 HB3 LEU 79 -11.063 -11.122 -18.502 671 HD11 LEU 79 HD11 LEU 79 -12.126 -9.050 -19.975 672 HD12 LEU 79 HD12 LEU 79 -10.490 -8.600 -20.455 673 HD13 LEU 79 HD13 LEU 79 -11.500 -7.449 -19.580 674 HD21 LEU 79 HD21 LEU 79 -12.206 -9.947 -17.145 675 HD22 LEU 79 HD22 LEU 79 -12.564 -8.282 -17.603 676 HD23 LEU 79 HD23 LEU 79 -11.347 -8.614 -16.370 677 H TYR 80 H TYR 80 -9.035 -12.412 -15.435 678 HA TYR 80 HA TYR 80 -9.162 -14.917 -16.982 679 HD1 TYR 80 HD1 TYR 80 -8.544 -14.111 -12.816 680 HD2 TYR 80 HD2 TYR 80 -5.723 -13.259 -15.886 681 HE1 TYR 80 HE1 TYR 80 -7.545 -12.362 -11.405 682 HE2 TYR 80 HE2 TYR 80 -4.716 -11.508 -14.482 683 HH TYR 80 HH TYR 80 -4.989 -11.258 -11.375 684 HB2 TYR 80 HB2 TYR 80 -8.030 -15.736 -14.686 685 HB3 TYR 80 HB3 TYR 80 -7.094 -15.166 -16.064 686 HA PRO 81 HA PRO 81 -12.972 -14.865 -14.421 687 HB2 PRO 81 HB2 PRO 81 -14.460 -16.221 -16.242 688 HB3 PRO 81 HB3 PRO 81 -14.223 -14.471 -16.307 689 HG2 PRO 81 HG2 PRO 81 -12.828 -16.630 -17.842 690 HG3 PRO 81 HG3 PRO 81 -13.437 -15.066 -18.413 691 HD2 PRO 81 HD2 PRO 81 -10.823 -15.496 -17.853 692 HD3 PRO 81 HD3 PRO 81 -11.603 -13.919 -17.615 693 H LYS 82 H LYS 82 -13.908 -16.522 -13.236 694 HA LYS 82 HA LYS 82 -14.005 -18.520 -12.153 695 HB2 LYS 82 HB2 LYS 82 -14.898 -19.215 -14.378 696 HB3 LYS 82 HB3 LYS 82 -13.269 -19.684 -14.845 697 HG2 LYS 82 HG2 LYS 82 -13.957 -21.707 -14.149 698 HG3 LYS 82 HG3 LYS 82 -13.502 -21.078 -12.563 699 HD2 LYS 82 HD2 LYS 82 -15.617 -21.842 -12.114 700 HD3 LYS 82 HD3 LYS 82 -15.974 -20.176 -12.575 701 HE2 LYS 82 HE2 LYS 82 -15.924 -22.260 -14.700 702 HE3 LYS 82 HE3 LYS 82 -17.303 -22.216 -13.602 703 HZ1 LYS 82 HZ1 LYS 82 -18.040 -20.779 -15.169 704 HZ2 LYS 82 HZ2 LYS 82 -16.490 -20.295 -15.642 705 HZ3 LYS 82 HZ3 LYS 82 -17.178 -19.666 -14.231 706 H LEU 83 H LEU 83 -11.893 -17.496 -11.269 707 HA LEU 83 HA LEU 83 -9.401 -18.615 -12.004 708 HG LEU 83 HG LEU 83 -11.536 -17.255 -9.366 709 HB2 LEU 83 HB2 LEU 83 -8.634 -17.745 -9.805 710 HB3 LEU 83 HB3 LEU 83 -9.439 -16.550 -10.820 711 HD11 LEU 83 HD11 LEU 83 -9.583 -18.782 -8.154 712 HD12 LEU 83 HD12 LEU 83 -11.154 -18.362 -7.474 713 HD13 LEU 83 HD13 LEU 83 -9.738 -17.382 -7.092 714 HD21 LEU 83 HD21 LEU 83 -10.223 -15.032 -9.594 715 HD22 LEU 83 HD22 LEU 83 -9.517 -15.489 -8.043 716 HD23 LEU 83 HD23 LEU 83 -11.263 -15.280 -8.190 717 H LYS 84 H LYS 84 -8.058 -20.009 -10.630 718 HA LYS 84 HA LYS 84 -9.406 -22.430 -10.002 719 HB2 LYS 84 HB2 LYS 84 -6.954 -22.023 -10.795 720 HB3 LYS 84 HB3 LYS 84 -6.615 -21.822 -9.081 721 HG2 LYS 84 HG2 LYS 84 -8.092 -24.242 -10.000 722 HG3 LYS 84 HG3 LYS 84 -6.344 -24.149 -10.224 723 HD2 LYS 84 HD2 LYS 84 -6.430 -23.402 -7.683 724 HD3 LYS 84 HD3 LYS 84 -7.939 -24.317 -7.720 725 HE2 LYS 84 HE2 LYS 84 -6.241 -25.830 -7.050 726 HE3 LYS 84 HE3 LYS 84 -6.633 -26.219 -8.724 727 HZ1 LYS 84 HZ1 LYS 84 -4.236 -26.190 -8.308 728 HZ2 LYS 84 HZ2 LYS 84 -4.326 -24.560 -7.860 729 HZ3 LYS 84 HZ3 LYS 84 -4.685 -25.022 -9.447 730 H ALA 85 H ALA 85 -10.886 -22.091 -8.365 731 HA ALA 85 HA ALA 85 -10.510 -20.699 -5.997 732 HB1 ALA 85 HB1 ALA 85 -12.251 -23.053 -6.667 733 HB2 ALA 85 HB2 ALA 85 -12.281 -22.282 -5.081 734 HB3 ALA 85 HB3 ALA 85 -12.703 -21.354 -6.519 735 H THR 86 H THR 86 -9.330 -21.028 -4.229 736 HA THR 86 HA THR 86 -7.375 -22.960 -3.989 737 HB THR 86 HB THR 86 -7.384 -20.917 -2.637 738 HG1 THR 86 HG1 THR 86 -7.020 -22.141 -0.516 739 HG21 THR 86 HG21 THR 86 -9.924 -21.197 -2.149 740 HG22 THR 86 HG22 THR 86 -8.885 -20.468 -0.926 741 HG23 THR 86 HG23 THR 86 -9.375 -22.156 -0.775 742 H ASP 87 H ASP 87 -7.322 -25.036 -3.405 743 HA ASP 87 HA ASP 87 -9.809 -26.356 -2.706 744 HB2 ASP 87 HB2 ASP 87 -7.949 -27.177 -4.362 745 HB3 ASP 87 HB3 ASP 87 -7.175 -27.774 -2.896 746 H GLU 88 H GLU 88 -9.626 -28.168 -1.018 747 HA GLU 88 HA GLU 88 -9.102 -26.973 1.491 748 HB2 GLU 88 HB2 GLU 88 -9.735 -29.111 2.450 749 HB3 GLU 88 HB3 GLU 88 -10.834 -28.693 1.143 750 HG2 GLU 88 HG2 GLU 88 -10.457 -30.895 0.689 751 HG3 GLU 88 HG3 GLU 88 -9.200 -30.145 -0.292 752 H ASP 89 H ASP 89 -7.837 -28.427 3.180 753 HA ASP 89 HA ASP 89 -5.216 -29.108 2.024 754 HB2 ASP 89 HB2 ASP 89 -4.176 -28.118 4.081 755 HB3 ASP 89 HB3 ASP 89 -4.947 -26.940 3.022 Start of MODEL 19 1 HA MET -4 HA MET -4 -0.538 -3.566 4.586 2 H1 MET -4 H1 MET -4 0.218 -3.176 7.063 3 HB2 MET -4 HB2 MET -4 0.082 -0.820 5.686 4 HB3 MET -4 HB3 MET -4 -0.922 -1.125 4.275 5 HG2 MET -4 HG2 MET -4 -1.519 -2.220 7.010 6 HG3 MET -4 HG3 MET -4 -2.160 -0.696 6.401 7 HE1 MET -4 HE1 MET -4 -4.511 -4.036 6.613 8 HE2 MET -4 HE2 MET -4 -2.986 -4.791 6.150 9 HE3 MET -4 HE3 MET -4 -3.022 -3.607 7.456 10 H GLY -3 H GLY -3 1.764 -4.553 4.027 11 HA2 GLY -3 HA2 GLY -3 2.991 -2.636 2.152 12 HA3 GLY -3 HA3 GLY -3 3.997 -3.648 3.177 13 H SER -2 H SER -2 4.951 -4.453 1.216 14 HA SER -2 HA SER -2 3.348 -6.618 0.045 15 HG SER -2 HG SER -2 3.388 -3.614 -1.448 16 HB2 SER -2 HB2 SER -2 5.164 -4.780 -1.534 17 HB3 SER -2 HB3 SER -2 4.254 -6.147 -2.177 18 H SER -1 H SER -1 5.033 -7.918 -1.479 19 HA SER -1 HA SER -1 7.611 -8.201 -0.157 20 HG SER -1 HG SER -1 4.658 -9.532 0.838 21 HB2 SER -1 HB2 SER -1 5.984 -10.697 -0.486 22 HB3 SER -1 HB3 SER -1 7.341 -10.384 0.596 23 H HIS 0 H HIS 0 9.106 -9.536 -1.342 24 HA HIS 0 HA HIS 0 8.542 -9.492 -4.208 25 HD1 HIS 0 HD1 HIS 0 11.089 -8.488 -0.954 26 HD2 HIS 0 HD2 HIS 0 12.406 -11.795 -3.096 27 HE1 HIS 0 HE1 HIS 0 12.670 -9.697 0.582 28 HB2 HIS 0 HB2 HIS 0 10.988 -9.839 -4.456 29 HB3 HIS 0 HB3 HIS 0 10.594 -8.399 -3.521 30 H HIS 1 H HIS 1 9.683 -11.333 -5.464 31 HA HIS 1 HA HIS 1 9.851 -13.889 -4.206 32 HD1 HIS 1 HD1 HIS 1 8.507 -16.098 -3.542 33 HD2 HIS 1 HD2 HIS 1 7.063 -15.636 -7.410 34 HE1 HIS 1 HE1 HIS 1 8.145 -18.431 -4.408 35 HB2 HIS 1 HB2 HIS 1 7.402 -13.643 -4.250 36 HB3 HIS 1 HB3 HIS 1 7.460 -13.374 -5.990 37 H HIS 2 H HIS 2 10.935 -15.335 -5.464 38 HA HIS 2 HA HIS 2 12.195 -14.339 -7.827 39 HD1 HIS 2 HD1 HIS 2 13.178 -15.660 -9.730 40 HD2 HIS 2 HD2 HIS 2 15.654 -16.742 -6.575 41 HE1 HIS 2 HE1 HIS 2 15.499 -15.746 -10.696 42 HB2 HIS 2 HB2 HIS 2 13.035 -16.056 -5.996 43 HB3 HIS 2 HB3 HIS 2 12.316 -17.232 -7.093 44 H HIS 3 H HIS 3 11.259 -14.284 -9.753 45 HA HIS 3 HA HIS 3 9.222 -16.294 -10.410 46 HD1 HIS 3 HD1 HIS 3 8.937 -11.993 -9.913 47 HD2 HIS 3 HD2 HIS 3 6.492 -15.325 -10.336 48 HE1 HIS 3 HE1 HIS 3 6.927 -11.540 -8.470 49 HB2 HIS 3 HB2 HIS 3 9.816 -13.580 -11.599 50 HB3 HIS 3 HB3 HIS 3 8.642 -14.704 -12.277 51 H HIS 4 H HIS 4 9.272 -17.400 -12.396 52 HA HIS 4 HA HIS 4 11.750 -17.230 -13.947 53 HD1 HIS 4 HD1 HIS 4 14.253 -19.160 -13.215 54 HD2 HIS 4 HD2 HIS 4 11.431 -18.872 -10.179 55 HE1 HIS 4 HE1 HIS 4 15.575 -18.913 -11.090 56 HB2 HIS 4 HB2 HIS 4 10.627 -19.768 -12.749 57 HB3 HIS 4 HB3 HIS 4 11.890 -19.729 -13.975 58 H HIS 5 H HIS 5 11.380 -17.249 -16.069 59 HA HIS 5 HA HIS 5 8.801 -18.310 -17.022 60 HD1 HIS 5 HD1 HIS 5 10.145 -14.232 -16.295 61 HD2 HIS 5 HD2 HIS 5 6.572 -16.248 -16.945 62 HE1 HIS 5 HE1 HIS 5 8.437 -13.044 -14.883 63 HB2 HIS 5 HB2 HIS 5 10.332 -15.937 -18.109 64 HB3 HIS 5 HB3 HIS 5 8.825 -16.572 -18.763 65 H SER 6 H SER 6 10.564 -20.185 -16.994 66 HA SER 6 HA SER 6 11.780 -20.260 -19.678 67 HG SER 6 HG SER 6 13.938 -19.657 -17.606 68 HB2 SER 6 HB2 SER 6 12.715 -21.308 -17.037 69 HB3 SER 6 HB3 SER 6 13.172 -22.174 -18.503 70 H SER 7 H SER 7 9.786 -21.017 -20.561 71 HA SER 7 HA SER 7 9.610 -23.830 -20.728 72 HG SER 7 HG SER 7 6.771 -22.310 -18.279 73 HB2 SER 7 HB2 SER 7 7.480 -24.245 -19.663 74 HB3 SER 7 HB3 SER 7 8.554 -23.495 -18.482 75 H GLY 8 H GLY 8 8.330 -24.494 -22.441 76 HA2 GLY 8 HA2 GLY 8 7.518 -22.368 -24.242 77 HA3 GLY 8 HA3 GLY 8 7.589 -24.084 -24.615 78 H LEU 9 H LEU 9 5.701 -21.614 -22.937 79 HA LEU 9 HA LEU 9 3.279 -23.120 -23.597 80 HG LEU 9 HG LEU 9 2.237 -23.965 -20.217 81 HB2 LEU 9 HB2 LEU 9 4.315 -23.074 -21.040 82 HB3 LEU 9 HB3 LEU 9 3.098 -21.800 -21.010 83 HD11 LEU 9 HD11 LEU 9 0.862 -22.207 -21.472 84 HD12 LEU 9 HD12 LEU 9 0.182 -23.826 -21.312 85 HD13 LEU 9 HD13 LEU 9 0.919 -23.327 -22.834 86 HD21 LEU 9 HD21 LEU 9 2.606 -24.921 -23.050 87 HD22 LEU 9 HD22 LEU 9 1.991 -25.836 -21.673 88 HD23 LEU 9 HD23 LEU 9 3.685 -25.346 -21.720 89 H VAL 10 H VAL 10 1.506 -21.871 -24.069 90 HA VAL 10 HA VAL 10 2.013 -19.135 -24.751 91 HB VAL 10 HB VAL 10 -0.265 -19.092 -25.596 92 HG11 VAL 10 HG11 VAL 10 1.624 -20.263 -26.833 93 HG12 VAL 10 HG12 VAL 10 0.878 -21.777 -26.316 94 HG13 VAL 10 HG13 VAL 10 -0.020 -20.654 -27.338 95 HG21 VAL 10 HG21 VAL 10 -1.116 -21.764 -25.238 96 HG22 VAL 10 HG22 VAL 10 -0.665 -21.138 -23.652 97 HG23 VAL 10 HG23 VAL 10 -1.865 -20.289 -24.627 98 HA PRO 11 HA PRO 11 0.562 -17.079 -21.151 99 HB2 PRO 11 HB2 PRO 11 -0.482 -14.823 -22.242 100 HB3 PRO 11 HB3 PRO 11 1.257 -15.126 -22.141 101 HG2 PRO 11 HG2 PRO 11 -0.598 -15.490 -24.463 102 HG3 PRO 11 HG3 PRO 11 1.034 -14.798 -24.433 103 HD2 PRO 11 HD2 PRO 11 0.542 -17.335 -25.241 104 HD3 PRO 11 HD3 PRO 11 2.048 -16.868 -24.425 105 H ARG 12 H ARG 12 -1.318 -16.478 -19.990 106 HA ARG 12 HA ARG 12 -3.914 -16.425 -21.090 107 HE ARG 12 HE ARG 12 -4.145 -21.359 -21.419 108 HB2 ARG 12 HB2 ARG 12 -4.806 -18.532 -20.274 109 HB3 ARG 12 HB3 ARG 12 -3.487 -18.835 -21.398 110 HG2 ARG 12 HG2 ARG 12 -2.074 -18.896 -19.166 111 HG3 ARG 12 HG3 ARG 12 -3.643 -19.315 -18.475 112 HD2 ARG 12 HD2 ARG 12 -2.096 -20.765 -20.607 113 HD3 ARG 12 HD3 ARG 12 -2.589 -21.361 -19.023 114 HH11 ARG 12 HH11 ARG 12 -4.318 -21.188 -17.946 115 HH12 ARG 12 HH12 ARG 12 -5.927 -21.827 -17.865 116 HH21 ARG 12 HH21 ARG 12 -6.263 -22.200 -21.325 117 HH22 ARG 12 HH22 ARG 12 -7.032 -22.403 -19.787 118 H GLY 13 H GLY 13 -5.602 -16.309 -19.413 119 HA2 GLY 13 HA2 GLY 13 -6.409 -15.507 -17.419 120 HA3 GLY 13 HA3 GLY 13 -5.035 -16.294 -16.658 121 H SER 14 H SER 14 -6.425 -13.329 -17.620 122 HA SER 14 HA SER 14 -4.574 -11.808 -16.106 123 HG SER 14 HG SER 14 -3.460 -10.024 -16.895 124 HB2 SER 14 HB2 SER 14 -3.181 -12.209 -18.128 125 HB3 SER 14 HB3 SER 14 -4.418 -11.418 -19.105 126 H HIS 15 H HIS 15 -5.135 -9.548 -16.014 127 HA HIS 15 HA HIS 15 -7.928 -9.107 -16.127 128 HD1 HIS 15 HD1 HIS 15 -4.879 -7.318 -13.269 129 HD2 HIS 15 HD2 HIS 15 -8.676 -8.922 -13.789 130 HE1 HIS 15 HE1 HIS 15 -5.553 -8.196 -11.011 131 HB2 HIS 15 HB2 HIS 15 -5.587 -7.269 -15.640 132 HB3 HIS 15 HB3 HIS 15 -7.253 -6.699 -15.614 133 H MET 16 H MET 16 -5.250 -8.161 -18.215 134 HA MET 16 HA MET 16 -7.120 -6.803 -20.017 135 HB2 MET 16 HB2 MET 16 -4.124 -6.906 -20.306 136 HB3 MET 16 HB3 MET 16 -5.244 -5.754 -21.020 137 HG2 MET 16 HG2 MET 16 -4.643 -5.990 -18.081 138 HG3 MET 16 HG3 MET 16 -3.933 -4.805 -19.174 139 HE1 MET 16 HE1 MET 16 -6.779 -4.141 -20.993 140 HE2 MET 16 HE2 MET 16 -6.917 -2.585 -20.173 141 HE3 MET 16 HE3 MET 16 -5.328 -3.213 -20.610 142 H SER 17 H SER 17 -6.864 -7.187 -22.359 143 HA SER 17 HA SER 17 -5.866 -9.855 -23.040 144 HG SER 17 HG SER 17 -9.501 -8.460 -23.505 145 HB2 SER 17 HB2 SER 17 -7.888 -10.563 -24.054 146 HB3 SER 17 HB3 SER 17 -8.366 -9.897 -22.492 147 H VAL 18 H VAL 18 -4.796 -9.884 -24.913 148 HA VAL 18 HA VAL 18 -4.658 -7.447 -26.479 149 HB VAL 18 HB VAL 18 -3.191 -9.988 -27.129 150 HG11 VAL 18 HG11 VAL 18 -2.218 -7.158 -27.359 151 HG12 VAL 18 HG12 VAL 18 -1.644 -8.598 -28.202 152 HG13 VAL 18 HG13 VAL 18 -3.212 -7.900 -28.612 153 HG21 VAL 18 HG21 VAL 18 -1.373 -9.219 -25.645 154 HG22 VAL 18 HG22 VAL 18 -2.436 -7.950 -25.038 155 HG23 VAL 18 HG23 VAL 18 -2.838 -9.644 -24.760 156 H ASP 19 H ASP 19 -6.001 -10.649 -26.724 157 HA ASP 19 HA ASP 19 -6.394 -10.705 -29.527 158 HB2 ASP 19 HB2 ASP 19 -6.508 -12.667 -27.902 159 HB3 ASP 19 HB3 ASP 19 -8.129 -12.108 -27.496 160 H ASP 20 H ASP 20 -7.823 -8.838 -27.121 161 HA ASP 20 HA ASP 20 -10.320 -8.484 -28.613 162 HB2 ASP 20 HB2 ASP 20 -10.314 -8.828 -26.098 163 HB3 ASP 20 HB3 ASP 20 -9.586 -7.229 -25.966 164 H ILE 21 H ILE 21 -7.622 -7.480 -29.440 165 HA ILE 21 HA ILE 21 -8.041 -4.583 -29.319 166 HB ILE 21 HB ILE 21 -5.676 -6.188 -30.293 167 HG12 ILE 21 HG12 ILE 21 -5.953 -4.361 -27.898 168 HG13 ILE 21 HG13 ILE 21 -6.056 -6.117 -27.825 169 HG21 ILE 21 HG21 ILE 21 -4.732 -3.681 -30.060 170 HG22 ILE 21 HG22 ILE 21 -5.339 -4.359 -31.570 171 HG23 ILE 21 HG23 ILE 21 -6.383 -3.341 -30.578 172 HD11 ILE 21 HD11 ILE 21 -3.878 -5.769 -27.228 173 HD12 ILE 21 HD12 ILE 21 -3.711 -6.001 -28.968 174 HD13 ILE 21 HD13 ILE 21 -3.694 -4.373 -28.290 175 H ILE 22 H ILE 22 -8.357 -3.327 -31.118 176 HA ILE 22 HA ILE 22 -9.327 -4.727 -33.476 177 HB ILE 22 HB ILE 22 -10.229 -2.610 -34.194 178 HG12 ILE 22 HG12 ILE 22 -8.776 -1.418 -31.822 179 HG13 ILE 22 HG13 ILE 22 -8.361 -1.171 -33.514 180 HG21 ILE 22 HG21 ILE 22 -11.402 -3.937 -32.427 181 HG22 ILE 22 HG22 ILE 22 -10.705 -2.847 -31.230 182 HG23 ILE 22 HG23 ILE 22 -11.812 -2.222 -32.452 183 HD11 ILE 22 HD11 ILE 22 -9.517 0.750 -32.935 184 HD12 ILE 22 HD12 ILE 22 -10.736 -0.233 -33.744 185 HD13 ILE 22 HD13 ILE 22 -10.708 -0.135 -31.983 186 H ILE 23 H ILE 23 -8.892 -3.108 -35.542 187 HA ILE 23 HA ILE 23 -5.988 -3.263 -35.892 188 HB ILE 23 HB ILE 23 -8.070 -2.826 -38.031 189 HG12 ILE 23 HG12 ILE 23 -6.831 -5.401 -37.038 190 HG13 ILE 23 HG13 ILE 23 -8.529 -4.947 -36.942 191 HG21 ILE 23 HG21 ILE 23 -5.187 -3.702 -38.146 192 HG22 ILE 23 HG22 ILE 23 -6.283 -3.630 -39.525 193 HG23 ILE 23 HG23 ILE 23 -5.837 -2.151 -38.675 194 HD11 ILE 23 HD11 ILE 23 -6.960 -5.508 -39.445 195 HD12 ILE 23 HD12 ILE 23 -8.200 -6.530 -38.720 196 HD13 ILE 23 HD13 ILE 23 -8.636 -4.962 -39.401 197 H LYS 24 H LYS 24 -4.793 -1.553 -36.793 198 HA LYS 24 HA LYS 24 -4.164 0.610 -37.114 199 HB2 LYS 24 HB2 LYS 24 -7.089 1.288 -37.403 200 HB3 LYS 24 HB3 LYS 24 -5.711 2.152 -38.073 201 HG2 LYS 24 HG2 LYS 24 -5.282 -0.117 -39.309 202 HG3 LYS 24 HG3 LYS 24 -7.000 -0.368 -38.991 203 HD2 LYS 24 HD2 LYS 24 -7.193 2.076 -39.950 204 HD3 LYS 24 HD3 LYS 24 -5.657 1.660 -40.715 205 HE2 LYS 24 HE2 LYS 24 -7.878 -0.302 -40.903 206 HE3 LYS 24 HE3 LYS 24 -7.999 1.167 -41.870 207 HZ1 LYS 24 HZ1 LYS 24 -5.460 0.364 -42.315 208 HZ2 LYS 24 HZ2 LYS 24 -6.771 0.044 -43.336 209 HZ3 LYS 24 HZ3 LYS 24 -6.277 -1.114 -42.206 210 H CYS 25 H CYS 25 -4.271 -0.176 -34.530 211 HA CYS 25 HA CYS 25 -5.352 2.190 -33.145 212 HG CYS 25 HG CYS 25 -6.547 2.462 -31.115 213 HB2 CYS 25 HB2 CYS 25 -6.319 -0.225 -32.679 214 HB3 CYS 25 HB3 CYS 25 -4.884 -0.368 -31.672 215 H GLN 26 H GLN 26 -4.172 2.722 -31.109 216 HA GLN 26 HA GLN 26 -1.309 2.618 -31.628 217 HB2 GLN 26 HB2 GLN 26 -1.133 4.360 -29.926 218 HB3 GLN 26 HB3 GLN 26 -2.339 4.787 -31.132 219 HG2 GLN 26 HG2 GLN 26 -3.939 3.610 -29.361 220 HG3 GLN 26 HG3 GLN 26 -2.663 4.142 -28.267 221 HE21 GLN 26 HE21 GLN 26 -5.087 5.175 -27.886 222 HE22 GLN 26 HE22 GLN 26 -5.156 6.821 -28.405 223 H CYS 27 H CYS 27 0.030 1.291 -30.604 224 HA CYS 27 HA CYS 27 -0.786 0.193 -27.999 225 HG CYS 27 HG CYS 27 -1.532 -2.857 -27.983 226 HB2 CYS 27 HB2 CYS 27 0.031 -1.231 -30.472 227 HB3 CYS 27 HB3 CYS 27 0.680 -1.848 -28.957 228 H TRP 28 H TRP 28 0.646 0.580 -26.454 229 HA TRP 28 HA TRP 28 3.121 1.855 -26.971 230 HD1 TRP 28 HD1 TRP 28 0.174 2.753 -24.023 231 HE1 TRP 28 HE1 TRP 28 0.384 5.317 -23.955 232 HE3 TRP 28 HE3 TRP 28 4.963 3.221 -25.750 233 HZ2 TRP 28 HZ2 TRP 28 2.323 7.279 -24.555 234 HZ3 TRP 28 HZ3 TRP 28 5.921 5.476 -25.974 235 HH2 TRP 28 HH2 TRP 28 4.626 7.462 -25.389 236 HB2 TRP 28 HB2 TRP 28 1.738 0.799 -24.543 237 HB3 TRP 28 HB3 TRP 28 3.455 1.176 -24.432 238 H VAL 29 H VAL 29 5.029 1.015 -27.477 239 HA VAL 29 HA VAL 29 5.399 -1.884 -27.234 240 HB VAL 29 HB VAL 29 6.992 0.135 -28.820 241 HG11 VAL 29 HG11 VAL 29 7.704 -2.149 -29.925 242 HG12 VAL 29 HG12 VAL 29 8.536 -1.525 -28.499 243 HG13 VAL 29 HG13 VAL 29 7.310 -2.782 -28.328 244 HG21 VAL 29 HG21 VAL 29 5.026 0.004 -30.001 245 HG22 VAL 29 HG22 VAL 29 5.924 -1.338 -30.712 246 HG23 VAL 29 HG23 VAL 29 4.698 -1.650 -29.483 247 H GLN 30 H GLN 30 6.386 -2.525 -25.437 248 HA GLN 30 HA GLN 30 8.328 -0.771 -24.139 249 HB2 GLN 30 HB2 GLN 30 6.512 -1.801 -22.794 250 HB3 GLN 30 HB3 GLN 30 7.164 -3.389 -23.176 251 HG2 GLN 30 HG2 GLN 30 9.022 -3.097 -21.842 252 HG3 GLN 30 HG3 GLN 30 8.908 -1.339 -21.891 253 HE21 GLN 30 HE21 GLN 30 6.700 -0.557 -20.965 254 HE22 GLN 30 HE22 GLN 30 6.281 -1.234 -19.432 255 H LYS 31 H LYS 31 10.258 -0.947 -25.140 256 HA LYS 31 HA LYS 31 11.266 -3.457 -26.109 257 HB2 LYS 31 HB2 LYS 31 11.747 -0.879 -26.788 258 HB3 LYS 31 HB3 LYS 31 13.140 -1.197 -25.761 259 HG2 LYS 31 HG2 LYS 31 13.700 -1.636 -28.060 260 HG3 LYS 31 HG3 LYS 31 13.692 -3.150 -27.152 261 HD2 LYS 31 HD2 LYS 31 11.666 -3.842 -28.112 262 HD3 LYS 31 HD3 LYS 31 11.281 -2.216 -28.681 263 HE2 LYS 31 HE2 LYS 31 11.959 -3.552 -30.558 264 HE3 LYS 31 HE3 LYS 31 13.214 -2.358 -30.230 265 HZ1 LYS 31 HZ1 LYS 31 14.677 -3.984 -29.995 266 HZ2 LYS 31 HZ2 LYS 31 13.488 -5.122 -30.387 267 HZ3 LYS 31 HZ3 LYS 31 13.756 -4.701 -28.770 268 H ASN 32 H ASN 32 13.468 -4.228 -25.459 269 HA ASN 32 HA ASN 32 13.532 -5.050 -22.828 270 HB2 ASN 32 HB2 ASN 32 14.857 -6.083 -24.637 271 HB3 ASN 32 HB3 ASN 32 15.913 -4.674 -24.659 272 HD21 ASN 32 HD21 ASN 32 17.201 -6.891 -24.323 273 HD22 ASN 32 HD22 ASN 32 17.667 -7.156 -22.680 274 H ASP 33 H ASP 33 15.588 -2.510 -24.262 275 HA ASP 33 HA ASP 33 15.757 -1.283 -21.588 276 HB2 ASP 33 HB2 ASP 33 17.899 -1.423 -23.719 277 HB3 ASP 33 HB3 ASP 33 18.022 -0.472 -22.242 278 H GLU 34 H GLU 34 14.018 -0.858 -24.057 279 HA GLU 34 HA GLU 34 14.336 2.051 -24.110 280 HB2 GLU 34 HB2 GLU 34 14.366 0.214 -26.468 281 HB3 GLU 34 HB3 GLU 34 13.620 1.798 -26.634 282 HG2 GLU 34 HG2 GLU 34 16.358 1.593 -25.481 283 HG3 GLU 34 HG3 GLU 34 16.135 1.438 -27.223 284 H GLU 35 H GLU 35 12.378 3.132 -25.048 285 HA GLU 35 HA GLU 35 9.933 1.543 -24.781 286 HB2 GLU 35 HB2 GLU 35 10.525 4.085 -23.259 287 HB3 GLU 35 HB3 GLU 35 8.919 3.385 -23.409 288 HG2 GLU 35 HG2 GLU 35 9.646 2.624 -21.350 289 HG3 GLU 35 HG3 GLU 35 9.972 1.263 -22.422 290 H ARG 36 H ARG 36 8.798 1.835 -26.570 291 HA ARG 36 HA ARG 36 8.541 4.533 -27.676 292 HE ARG 36 HE ARG 36 12.607 2.186 -29.608 293 HB2 ARG 36 HB2 ARG 36 8.728 3.485 -29.995 294 HB3 ARG 36 HB3 ARG 36 10.223 3.684 -29.090 295 HG2 ARG 36 HG2 ARG 36 8.813 1.098 -28.809 296 HG3 ARG 36 HG3 ARG 36 9.596 1.434 -30.355 297 HD2 ARG 36 HD2 ARG 36 11.135 1.969 -27.872 298 HD3 ARG 36 HD3 ARG 36 10.882 0.287 -28.335 299 HH11 ARG 36 HH11 ARG 36 10.691 -0.680 -30.096 300 HH12 ARG 36 HH12 ARG 36 11.619 -1.227 -31.453 301 HH21 ARG 36 HH21 ARG 36 13.836 1.476 -31.393 302 HH22 ARG 36 HH22 ARG 36 13.408 0.000 -32.190 303 H LEU 37 H LEU 37 6.934 4.205 -29.741 304 HA LEU 37 HA LEU 37 4.693 2.542 -28.807 305 HG LEU 37 HG LEU 37 2.866 4.366 -30.905 306 HB2 LEU 37 HB2 LEU 37 4.046 4.690 -28.150 307 HB3 LEU 37 HB3 LEU 37 4.701 5.430 -29.609 308 HD11 LEU 37 HD11 LEU 37 2.547 2.809 -28.646 309 HD12 LEU 37 HD12 LEU 37 1.450 2.894 -30.023 310 HD13 LEU 37 HD13 LEU 37 1.163 3.901 -28.605 311 HD21 LEU 37 HD21 LEU 37 2.651 6.666 -30.225 312 HD22 LEU 37 HD22 LEU 37 2.079 6.180 -28.629 313 HD23 LEU 37 HD23 LEU 37 1.088 5.866 -30.054 314 H ALA 38 H ALA 38 3.439 1.587 -30.378 315 HA ALA 38 HA ALA 38 4.084 2.135 -33.183 316 HB1 ALA 38 HB1 ALA 38 3.989 -0.681 -32.130 317 HB2 ALA 38 HB2 ALA 38 4.494 -0.131 -33.728 318 HB3 ALA 38 HB3 ALA 38 5.489 0.227 -32.317 319 H GLU 39 H GLU 39 2.478 1.421 -34.681 320 HA GLU 39 HA GLU 39 -0.176 1.229 -33.452 321 HB2 GLU 39 HB2 GLU 39 0.658 2.935 -35.345 322 HB3 GLU 39 HB3 GLU 39 0.126 1.617 -36.381 323 HG2 GLU 39 HG2 GLU 39 -2.090 1.726 -35.504 324 HG3 GLU 39 HG3 GLU 39 -1.596 2.874 -34.261 325 H ILE 40 H ILE 40 -1.797 -0.138 -34.574 326 HA ILE 40 HA ILE 40 -0.587 -2.715 -35.271 327 HB ILE 40 HB ILE 40 -3.482 -2.179 -34.618 328 HG12 ILE 40 HG12 ILE 40 -2.016 -1.520 -32.735 329 HG13 ILE 40 HG13 ILE 40 -3.000 -2.928 -32.351 330 HG21 ILE 40 HG21 ILE 40 -3.615 -4.259 -35.459 331 HG22 ILE 40 HG22 ILE 40 -1.886 -4.551 -35.282 332 HG23 ILE 40 HG23 ILE 40 -2.957 -4.737 -33.894 333 HD11 ILE 40 HD11 ILE 40 -1.151 -4.386 -32.572 334 HD12 ILE 40 HD12 ILE 40 -0.153 -3.119 -33.285 335 HD13 ILE 40 HD13 ILE 40 -0.619 -3.024 -31.587 336 H LEU 41 H LEU 41 -0.707 -3.534 -37.261 337 HA LEU 41 HA LEU 41 -2.412 -2.151 -39.221 338 HG LEU 41 HG LEU 41 0.529 -1.313 -39.000 339 HB2 LEU 41 HB2 LEU 41 0.174 -3.655 -39.521 340 HB3 LEU 41 HB3 LEU 41 -0.838 -3.220 -40.897 341 HD11 LEU 41 HD11 LEU 41 1.770 -0.665 -41.050 342 HD12 LEU 41 HD12 LEU 41 1.026 -2.028 -41.885 343 HD13 LEU 41 HD13 LEU 41 2.098 -2.313 -40.514 344 HD21 LEU 41 HD21 LEU 41 -0.411 0.017 -41.283 345 HD22 LEU 41 HD22 LEU 41 -0.974 0.196 -39.621 346 HD23 LEU 41 HD23 LEU 41 -1.758 -0.961 -40.697 347 H SER 42 H SER 42 -1.128 -5.380 -38.438 348 HA SER 42 HA SER 42 -3.689 -6.524 -39.297 349 HG SER 42 HG SER 42 -0.355 -7.312 -41.327 350 HB2 SER 42 HB2 SER 42 -2.111 -8.481 -40.176 351 HB3 SER 42 HB3 SER 42 -2.546 -7.115 -41.203 352 H ILE 43 H ILE 43 -3.829 -8.888 -38.620 353 HA ILE 43 HA ILE 43 -2.311 -9.448 -36.178 354 HB ILE 43 HB ILE 43 -5.313 -9.719 -36.260 355 HG12 ILE 43 HG12 ILE 43 -3.656 -7.548 -34.955 356 HG13 ILE 43 HG13 ILE 43 -4.669 -7.340 -36.379 357 HG21 ILE 43 HG21 ILE 43 -3.964 -11.198 -34.742 358 HG22 ILE 43 HG22 ILE 43 -3.451 -9.739 -33.896 359 HG23 ILE 43 HG23 ILE 43 -5.158 -10.182 -33.935 360 HD11 ILE 43 HD11 ILE 43 -5.396 -6.972 -33.726 361 HD12 ILE 43 HD12 ILE 43 -6.463 -7.005 -35.130 362 HD13 ILE 43 HD13 ILE 43 -6.173 -8.480 -34.208 363 H ASN 44 H ASN 44 -1.921 -11.583 -35.812 364 HA ASN 44 HA ASN 44 -2.801 -13.431 -37.910 365 HB2 ASN 44 HB2 ASN 44 -0.327 -13.028 -36.505 366 HB3 ASN 44 HB3 ASN 44 -0.887 -14.677 -36.242 367 HD21 ASN 44 HD21 ASN 44 0.876 -12.731 -38.223 368 HD22 ASN 44 HD22 ASN 44 0.871 -13.700 -39.654 369 H THR 45 H THR 45 -3.671 -15.460 -37.425 370 HA THR 45 HA THR 45 -4.415 -15.971 -34.637 371 HB THR 45 HB THR 45 -6.725 -16.648 -35.448 372 HG1 THR 45 HG1 THR 45 -7.154 -16.379 -37.496 373 HG21 THR 45 HG21 THR 45 -6.847 -14.742 -34.190 374 HG22 THR 45 HG22 THR 45 -7.364 -14.088 -35.743 375 HG23 THR 45 HG23 THR 45 -5.700 -13.867 -35.204 376 H ARG 46 H ARG 46 -2.535 -17.150 -36.631 377 HA ARG 46 HA ARG 46 -3.649 -19.705 -37.346 378 HE ARG 46 HE ARG 46 0.879 -21.162 -37.330 379 HB2 ARG 46 HB2 ARG 46 -1.863 -18.524 -38.660 380 HB3 ARG 46 HB3 ARG 46 -0.747 -18.868 -37.346 381 HG2 ARG 46 HG2 ARG 46 -1.326 -21.316 -37.696 382 HG3 ARG 46 HG3 ARG 46 -2.088 -20.804 -39.203 383 HD2 ARG 46 HD2 ARG 46 0.032 -21.344 -39.922 384 HD3 ARG 46 HD3 ARG 46 0.192 -19.613 -39.623 385 HH11 ARG 46 HH11 ARG 46 2.058 -20.031 -40.404 386 HH12 ARG 46 HH12 ARG 46 3.725 -20.099 -39.937 387 HH21 ARG 46 HH21 ARG 46 3.070 -21.255 -36.703 388 HH22 ARG 46 HH22 ARG 46 4.299 -20.796 -37.832 389 H LYS 47 H LYS 47 -1.124 -18.627 -35.074 390 HA LYS 47 HA LYS 47 -1.711 -21.003 -33.440 391 HB2 LYS 47 HB2 LYS 47 0.951 -19.954 -34.348 392 HB3 LYS 47 HB3 LYS 47 0.819 -20.839 -32.834 393 HG2 LYS 47 HG2 LYS 47 -0.248 -22.704 -34.131 394 HG3 LYS 47 HG3 LYS 47 0.183 -21.827 -35.601 395 HD2 LYS 47 HD2 LYS 47 1.974 -23.270 -35.354 396 HD3 LYS 47 HD3 LYS 47 2.572 -21.805 -34.569 397 HE2 LYS 47 HE2 LYS 47 1.877 -22.734 -32.389 398 HE3 LYS 47 HE3 LYS 47 1.374 -24.214 -33.203 399 HZ1 LYS 47 HZ1 LYS 47 3.810 -24.163 -34.076 400 HZ2 LYS 47 HZ2 LYS 47 3.475 -24.759 -32.528 401 HZ3 LYS 47 HZ3 LYS 47 4.082 -23.192 -32.718 402 H ALA 48 H ALA 48 -1.227 -20.770 -31.171 403 HA ALA 48 HA ALA 48 -1.510 -17.985 -30.284 404 HB1 ALA 48 HB1 ALA 48 -1.941 -19.683 -28.104 405 HB2 ALA 48 HB2 ALA 48 -3.154 -18.810 -29.041 406 HB3 ALA 48 HB3 ALA 48 -2.724 -20.463 -29.478 407 HA PRO 49 HA PRO 49 -1.498 -17.019 -28.199 408 HB2 PRO 49 HB2 PRO 49 -0.002 -14.802 -27.732 409 HB3 PRO 49 HB3 PRO 49 -0.292 -16.041 -26.505 410 HG2 PRO 49 HG2 PRO 49 2.098 -15.638 -28.262 411 HG3 PRO 49 HG3 PRO 49 2.033 -16.037 -26.535 412 HD2 PRO 49 HD2 PRO 49 2.497 -17.900 -28.445 413 HD3 PRO 49 HD3 PRO 49 1.635 -18.272 -26.938 414 HA PRO 50 HA PRO 50 -1.922 -14.945 -32.053 415 HB2 PRO 50 HB2 PRO 50 -3.190 -12.650 -31.352 416 HB3 PRO 50 HB3 PRO 50 -3.984 -14.229 -31.337 417 HG2 PRO 50 HG2 PRO 50 -2.803 -12.682 -29.063 418 HG3 PRO 50 HG3 PRO 50 -4.330 -13.581 -29.131 419 HD2 PRO 50 HD2 PRO 50 -2.097 -14.586 -27.974 420 HD3 PRO 50 HD3 PRO 50 -3.294 -15.612 -28.791 421 H LYS 51 H LYS 51 -0.994 -13.408 -33.387 422 HA LYS 51 HA LYS 51 1.045 -11.700 -32.121 423 HB2 LYS 51 HB2 LYS 51 1.015 -12.793 -34.940 424 HB3 LYS 51 HB3 LYS 51 2.307 -11.856 -34.200 425 HG2 LYS 51 HG2 LYS 51 3.179 -13.644 -33.192 426 HG3 LYS 51 HG3 LYS 51 1.598 -14.246 -32.687 427 HD2 LYS 51 HD2 LYS 51 2.365 -14.428 -35.564 428 HD3 LYS 51 HD3 LYS 51 3.060 -15.578 -34.419 429 HE2 LYS 51 HE2 LYS 51 0.178 -15.211 -34.111 430 HE3 LYS 51 HE3 LYS 51 0.642 -15.843 -35.690 431 HZ1 LYS 51 HZ1 LYS 51 1.062 -17.816 -34.803 432 HZ2 LYS 51 HZ2 LYS 51 0.395 -17.265 -33.349 433 HZ3 LYS 51 HZ3 LYS 51 2.062 -17.154 -33.610 434 H PHE 52 H PHE 52 1.528 -9.661 -33.231 435 HA PHE 52 HA PHE 52 -0.686 -8.596 -34.828 436 HD1 PHE 52 HD1 PHE 52 -0.315 -9.406 -31.159 437 HD2 PHE 52 HD2 PHE 52 -2.992 -6.817 -33.218 438 HE1 PHE 52 HE1 PHE 52 -2.201 -10.364 -29.903 439 HE2 PHE 52 HE2 PHE 52 -4.883 -7.770 -31.966 440 HZ PHE 52 HZ PHE 52 -4.489 -9.547 -30.306 441 HB2 PHE 52 HB2 PHE 52 0.431 -7.284 -32.341 442 HB3 PHE 52 HB3 PHE 52 -0.695 -6.524 -33.460 443 H TYR 53 H TYR 53 -0.129 -6.954 -36.247 444 HA TYR 53 HA TYR 53 2.711 -6.769 -36.831 445 HD1 TYR 53 HD1 TYR 53 3.507 -4.729 -38.721 446 HD2 TYR 53 HD2 TYR 53 1.466 -8.167 -40.177 447 HE1 TYR 53 HE1 TYR 53 5.287 -5.075 -40.383 448 HE2 TYR 53 HE2 TYR 53 3.241 -8.523 -41.842 449 HH TYR 53 HH TYR 53 5.273 -6.372 -42.851 450 HB2 TYR 53 HB2 TYR 53 0.529 -6.982 -38.446 451 HB3 TYR 53 HB3 TYR 53 0.818 -5.246 -38.502 452 H VAL 54 H VAL 54 3.874 -5.243 -35.879 453 HA VAL 54 HA VAL 54 2.617 -2.788 -34.951 454 HB VAL 54 HB VAL 54 4.863 -2.304 -33.967 455 HG11 VAL 54 HG11 VAL 54 4.365 -4.965 -32.893 456 HG12 VAL 54 HG12 VAL 54 4.217 -3.385 -32.121 457 HG13 VAL 54 HG13 VAL 54 2.893 -4.017 -33.100 458 HG21 VAL 54 HG21 VAL 54 5.544 -5.103 -34.860 459 HG22 VAL 54 HG22 VAL 54 6.147 -3.636 -35.631 460 HG23 VAL 54 HG23 VAL 54 6.574 -3.991 -33.957 461 H HIS 55 H HIS 55 3.022 -0.767 -35.726 462 HA HIS 55 HA HIS 55 4.861 -0.536 -38.013 463 HD1 HIS 55 HD1 HIS 55 5.201 0.791 -39.906 464 HD2 HIS 55 HD2 HIS 55 1.522 2.673 -39.479 465 HE1 HIS 55 HE1 HIS 55 5.279 2.776 -41.448 466 HB2 HIS 55 HB2 HIS 55 2.622 -0.602 -38.921 467 HB3 HIS 55 HB3 HIS 55 2.075 0.616 -37.773 468 H TYR 56 H TYR 56 6.050 1.327 -38.147 469 HA TYR 56 HA TYR 56 5.975 3.042 -35.771 470 HD1 TYR 56 HD1 TYR 56 7.376 5.195 -35.596 471 HD2 TYR 56 HD2 TYR 56 9.778 1.692 -35.354 472 HE1 TYR 56 HE1 TYR 56 8.489 6.104 -33.600 473 HE2 TYR 56 HE2 TYR 56 10.898 2.590 -33.357 474 HH TYR 56 HH TYR 56 11.332 4.947 -32.393 475 HB2 TYR 56 HB2 TYR 56 8.085 1.785 -36.934 476 HB3 TYR 56 HB3 TYR 56 8.183 3.365 -37.704 477 H VAL 57 H VAL 57 4.414 4.542 -36.219 478 HA VAL 57 HA VAL 57 4.026 5.803 -38.708 479 HB VAL 57 HB VAL 57 2.710 7.477 -37.460 480 HG11 VAL 57 HG11 VAL 57 0.959 6.062 -37.079 481 HG12 VAL 57 HG12 VAL 57 2.020 4.978 -37.980 482 HG13 VAL 57 HG13 VAL 57 1.952 4.885 -36.220 483 HG21 VAL 57 HG21 VAL 57 3.784 6.028 -35.043 484 HG22 VAL 57 HG22 VAL 57 4.040 7.719 -35.476 485 HG23 VAL 57 HG23 VAL 57 2.434 7.162 -35.006 486 H ASN 58 H ASN 58 6.044 6.588 -35.940 487 HA ASN 58 HA ASN 58 6.917 9.069 -37.221 488 HB2 ASN 58 HB2 ASN 58 6.330 8.685 -34.658 489 HB3 ASN 58 HB3 ASN 58 8.013 8.171 -34.594 490 HD21 ASN 58 HD21 ASN 58 7.642 10.189 -33.088 491 HD22 ASN 58 HD22 ASN 58 8.128 11.689 -33.795 492 H TYR 59 H TYR 59 7.689 6.862 -38.629 493 HA TYR 59 HA TYR 59 10.481 7.193 -38.801 494 HD1 TYR 59 HD1 TYR 59 12.012 7.233 -36.758 495 HD2 TYR 59 HD2 TYR 59 11.973 3.385 -38.573 496 HE1 TYR 59 HE1 TYR 59 14.470 7.176 -36.676 497 HE2 TYR 59 HE2 TYR 59 14.430 3.316 -38.494 498 HH TYR 59 HH TYR 59 16.256 4.460 -37.002 499 HB2 TYR 59 HB2 TYR 59 9.950 5.565 -36.726 500 HB3 TYR 59 HB3 TYR 59 9.961 4.376 -38.024 501 H ASN 60 H ASN 60 11.425 5.261 -40.209 502 HA ASN 60 HA ASN 60 10.062 5.325 -42.656 503 HB2 ASN 60 HB2 ASN 60 12.362 3.708 -41.602 504 HB3 ASN 60 HB3 ASN 60 11.692 3.362 -43.193 505 HD21 ASN 60 HD21 ASN 60 13.621 3.965 -44.187 506 HD22 ASN 60 HD22 ASN 60 14.087 5.621 -44.344 507 H LYS 61 H LYS 61 9.813 3.021 -43.844 508 HA LYS 61 HA LYS 61 7.716 1.656 -42.325 509 HB2 LYS 61 HB2 LYS 61 7.089 0.695 -44.542 510 HB3 LYS 61 HB3 LYS 61 7.009 2.451 -44.480 511 HG2 LYS 61 HG2 LYS 61 9.136 2.612 -45.639 512 HG3 LYS 61 HG3 LYS 61 9.273 0.852 -45.658 513 HD2 LYS 61 HD2 LYS 61 6.942 0.984 -46.843 514 HD3 LYS 61 HD3 LYS 61 7.447 2.635 -47.211 515 HE2 LYS 61 HE2 LYS 61 9.185 0.252 -47.793 516 HE3 LYS 61 HE3 LYS 61 7.983 0.842 -48.940 517 HZ1 LYS 61 HZ1 LYS 61 10.550 1.954 -48.226 518 HZ2 LYS 61 HZ2 LYS 61 9.301 3.093 -48.304 519 HZ3 LYS 61 HZ3 LYS 61 9.652 2.129 -49.649 520 H ARG 62 H ARG 62 10.889 1.187 -43.583 521 HA ARG 62 HA ARG 62 11.007 -1.564 -43.916 522 HE ARG 62 HE ARG 62 15.966 -0.199 -42.859 523 HB2 ARG 62 HB2 ARG 62 13.363 -1.379 -43.705 524 HB3 ARG 62 HB3 ARG 62 12.816 0.134 -44.417 525 HG2 ARG 62 HG2 ARG 62 12.760 0.834 -41.839 526 HG3 ARG 62 HG3 ARG 62 14.025 -0.395 -41.777 527 HD2 ARG 62 HD2 ARG 62 14.112 1.693 -43.906 528 HD3 ARG 62 HD3 ARG 62 14.617 2.109 -42.269 529 HH11 ARG 62 HH11 ARG 62 15.708 2.964 -44.290 530 HH12 ARG 62 HH12 ARG 62 17.310 2.940 -44.948 531 HH21 ARG 62 HH21 ARG 62 18.078 -0.242 -43.719 532 HH22 ARG 62 HH22 ARG 62 18.657 1.115 -44.624 533 H LEU 63 H LEU 63 10.914 0.336 -40.995 534 HA LEU 63 HA LEU 63 11.748 -1.768 -39.244 535 HG LEU 63 HG LEU 63 12.838 -0.588 -37.472 536 HB2 LEU 63 HB2 LEU 63 10.771 0.995 -38.988 537 HB3 LEU 63 HB3 LEU 63 10.384 -0.067 -37.635 538 HD11 LEU 63 HD11 LEU 63 12.908 1.501 -39.612 539 HD12 LEU 63 HD12 LEU 63 13.765 -0.037 -39.522 540 HD13 LEU 63 HD13 LEU 63 14.260 1.309 -38.496 541 HD21 LEU 63 HD21 LEU 63 12.316 0.832 -35.795 542 HD22 LEU 63 HD22 LEU 63 11.527 1.987 -36.869 543 HD23 LEU 63 HD23 LEU 63 13.286 1.959 -36.743 544 H ASP 64 H ASP 64 8.737 -0.744 -40.632 545 HA ASP 64 HA ASP 64 6.873 -1.774 -38.876 546 HB2 ASP 64 HB2 ASP 64 6.292 -0.486 -40.894 547 HB3 ASP 64 HB3 ASP 64 6.763 -1.854 -41.899 548 H GLU 65 H GLU 65 7.046 -3.703 -37.918 549 HA GLU 65 HA GLU 65 7.168 -6.073 -39.639 550 HB2 GLU 65 HB2 GLU 65 8.736 -7.180 -38.136 551 HB3 GLU 65 HB3 GLU 65 9.439 -5.705 -38.782 552 HG2 GLU 65 HG2 GLU 65 8.656 -4.593 -36.623 553 HG3 GLU 65 HG3 GLU 65 8.415 -6.231 -36.017 554 H TRP 66 H TRP 66 6.882 -8.090 -38.016 555 HA TRP 66 HA TRP 66 4.522 -7.442 -36.373 556 HD1 TRP 66 HD1 TRP 66 6.346 -9.387 -39.689 557 HE1 TRP 66 HE1 TRP 66 7.448 -11.696 -39.978 558 HE3 TRP 66 HE3 TRP 66 4.003 -11.886 -35.894 559 HZ2 TRP 66 HZ2 TRP 66 7.337 -14.239 -38.759 560 HZ3 TRP 66 HZ3 TRP 66 4.557 -14.255 -35.523 561 HH2 TRP 66 HH2 TRP 66 6.190 -15.405 -36.927 562 HB2 TRP 66 HB2 TRP 66 3.674 -9.682 -36.900 563 HB3 TRP 66 HB3 TRP 66 3.961 -8.755 -38.370 564 H ILE 67 H ILE 67 4.235 -8.539 -34.409 565 HA ILE 67 HA ILE 67 6.323 -10.321 -33.467 566 HB ILE 67 HB ILE 67 6.609 -8.931 -31.363 567 HG12 ILE 67 HG12 ILE 67 5.694 -6.654 -33.117 568 HG13 ILE 67 HG13 ILE 67 4.620 -7.446 -31.969 569 HG21 ILE 67 HG21 ILE 67 8.534 -8.067 -32.196 570 HG22 ILE 67 HG22 ILE 67 8.096 -9.079 -33.572 571 HG23 ILE 67 HG23 ILE 67 7.737 -7.352 -33.597 572 HD11 ILE 67 HD11 ILE 67 5.500 -5.459 -30.977 573 HD12 ILE 67 HD12 ILE 67 6.203 -6.856 -30.162 574 HD13 ILE 67 HD13 ILE 67 7.153 -5.954 -31.343 575 H THR 68 H THR 68 5.828 -10.672 -30.937 576 HA THR 68 HA THR 68 2.979 -11.380 -30.837 577 HB THR 68 HB THR 68 3.577 -13.035 -29.151 578 HG1 THR 68 HG1 THR 68 5.718 -13.284 -28.501 579 HG21 THR 68 HG21 THR 68 5.121 -13.032 -31.721 580 HG22 THR 68 HG22 THR 68 3.698 -13.975 -31.280 581 HG23 THR 68 HG23 THR 68 5.269 -14.372 -30.584 582 H THR 69 H THR 69 2.458 -11.716 -28.256 583 HA THR 69 HA THR 69 2.241 -9.038 -27.277 584 HB THR 69 HB THR 69 0.472 -10.771 -26.951 585 HG1 THR 69 HG1 THR 69 0.725 -8.857 -25.576 586 HG21 THR 69 HG21 THR 69 2.287 -12.515 -26.273 587 HG22 THR 69 HG22 THR 69 0.704 -12.563 -25.499 588 HG23 THR 69 HG23 THR 69 2.074 -11.838 -24.659 589 H ASP 70 H ASP 70 4.363 -11.721 -26.682 590 HA ASP 70 HA ASP 70 5.335 -11.149 -24.153 591 HB2 ASP 70 HB2 ASP 70 5.902 -13.086 -25.813 592 HB3 ASP 70 HB3 ASP 70 7.204 -12.019 -26.333 593 H ARG 71 H ARG 71 5.893 -9.507 -27.165 594 HA ARG 71 HA ARG 71 7.944 -7.819 -25.909 595 HE ARG 71 HE ARG 71 9.015 -7.810 -30.327 596 HB2 ARG 71 HB2 ARG 71 7.167 -7.989 -28.825 597 HB3 ARG 71 HB3 ARG 71 8.528 -7.099 -28.155 598 HG2 ARG 71 HG2 ARG 71 8.993 -9.629 -27.237 599 HG3 ARG 71 HG3 ARG 71 8.277 -9.927 -28.823 600 HD2 ARG 71 HD2 ARG 71 10.734 -8.327 -28.156 601 HD3 ARG 71 HD3 ARG 71 10.611 -9.764 -29.169 602 HH11 ARG 71 HH11 ARG 71 12.382 -8.314 -29.599 603 HH12 ARG 71 HH12 ARG 71 12.947 -7.355 -30.927 604 HH21 ARG 71 HH21 ARG 71 9.746 -6.545 -32.078 605 HH22 ARG 71 HH22 ARG 71 11.447 -6.348 -32.336 606 H ILE 72 H ILE 72 4.681 -7.862 -26.921 607 HA ILE 72 HA ILE 72 4.515 -4.936 -26.962 608 HB ILE 72 HB ILE 72 2.414 -6.994 -27.654 609 HG12 ILE 72 HG12 ILE 72 3.932 -5.144 -29.499 610 HG13 ILE 72 HG13 ILE 72 4.398 -6.816 -29.206 611 HG21 ILE 72 HG21 ILE 72 0.934 -5.348 -27.516 612 HG22 ILE 72 HG22 ILE 72 2.201 -4.216 -27.044 613 HG23 ILE 72 HG23 ILE 72 1.828 -4.461 -28.750 614 HD11 ILE 72 HD11 ILE 72 1.663 -6.094 -30.190 615 HD12 ILE 72 HD12 ILE 72 3.026 -6.312 -31.287 616 HD13 ILE 72 HD13 ILE 72 2.493 -7.648 -30.267 617 H ASN 73 H ASN 73 4.049 -3.930 -25.132 618 HA ASN 73 HA ASN 73 2.840 -5.381 -22.925 619 HB2 ASN 73 HB2 ASN 73 4.828 -3.712 -22.788 620 HB3 ASN 73 HB3 ASN 73 3.580 -2.470 -22.852 621 HD21 ASN 73 HD21 ASN 73 4.786 -5.217 -21.043 622 HD22 ASN 73 HD22 ASN 73 4.065 -4.780 -19.535 623 H LEU 74 H LEU 74 0.690 -5.641 -23.286 624 HA LEU 74 HA LEU 74 -1.062 -3.931 -24.555 625 HG LEU 74 HG LEU 74 -3.678 -4.415 -22.803 626 HB2 LEU 74 HB2 LEU 74 -1.530 -6.265 -23.825 627 HB3 LEU 74 HB3 LEU 74 -1.720 -5.664 -22.179 628 HD11 LEU 74 HD11 LEU 74 -2.628 -4.797 -25.478 629 HD12 LEU 74 HD12 LEU 74 -3.776 -3.604 -24.872 630 HD13 LEU 74 HD13 LEU 74 -4.342 -5.199 -25.368 631 HD21 LEU 74 HD21 LEU 74 -3.753 -6.945 -22.376 632 HD22 LEU 74 HD22 LEU 74 -4.027 -7.090 -24.113 633 HD23 LEU 74 HD23 LEU 74 -5.165 -6.186 -23.114 634 H ASP 75 H ASP 75 -0.805 -4.255 -21.010 635 HA ASP 75 HA ASP 75 -1.394 -1.377 -20.800 636 HB2 ASP 75 HB2 ASP 75 -3.355 -2.882 -20.221 637 HB3 ASP 75 HB3 ASP 75 -2.405 -3.448 -18.850 638 H LYS 76 H LYS 76 -0.529 -4.047 -18.598 639 HA LYS 76 HA LYS 76 1.876 -2.551 -17.827 640 HB2 LYS 76 HB2 LYS 76 -0.283 -3.593 -16.012 641 HB3 LYS 76 HB3 LYS 76 1.364 -3.380 -15.432 642 HG2 LYS 76 HG2 LYS 76 0.096 -1.091 -16.823 643 HG3 LYS 76 HG3 LYS 76 -0.479 -1.492 -15.202 644 HD2 LYS 76 HD2 LYS 76 1.219 -0.042 -14.686 645 HD3 LYS 76 HD3 LYS 76 2.101 -1.571 -14.672 646 HE2 LYS 76 HE2 LYS 76 3.059 -1.163 -16.773 647 HE3 LYS 76 HE3 LYS 76 1.892 0.102 -17.156 648 HZ1 LYS 76 HZ1 LYS 76 3.314 1.579 -16.361 649 HZ2 LYS 76 HZ2 LYS 76 4.409 0.360 -15.943 650 HZ3 LYS 76 HZ3 LYS 76 3.236 0.859 -14.832 651 H GLU 77 H GLU 77 3.352 -3.959 -16.449 652 HA GLU 77 HA GLU 77 3.814 -6.403 -17.866 653 HB2 GLU 77 HB2 GLU 77 5.733 -6.644 -16.268 654 HB3 GLU 77 HB3 GLU 77 5.728 -5.145 -17.186 655 HG2 GLU 77 HG2 GLU 77 5.406 -3.863 -15.360 656 HG3 GLU 77 HG3 GLU 77 4.388 -5.061 -14.563 657 H VAL 78 H VAL 78 1.677 -7.331 -17.260 658 HA VAL 78 HA VAL 78 1.120 -8.129 -14.601 659 HB VAL 78 HB VAL 78 0.115 -9.509 -17.086 660 HG11 VAL 78 HG11 VAL 78 -1.903 -9.838 -15.651 661 HG12 VAL 78 HG12 VAL 78 -0.459 -10.676 -15.079 662 HG13 VAL 78 HG13 VAL 78 -0.981 -9.183 -14.298 663 HG21 VAL 78 HG21 VAL 78 -0.826 -6.945 -15.815 664 HG22 VAL 78 HG22 VAL 78 -0.256 -7.185 -17.466 665 HG23 VAL 78 HG23 VAL 78 -1.790 -7.885 -16.953 666 H LEU 79 H LEU 79 1.176 -10.248 -13.696 667 HA LEU 79 HA LEU 79 3.118 -12.073 -14.942 668 HG LEU 79 HG LEU 79 4.647 -10.134 -13.981 669 HB2 LEU 79 HB2 LEU 79 3.038 -11.052 -12.125 670 HB3 LEU 79 HB3 LEU 79 3.799 -12.593 -12.515 671 HD11 LEU 79 HD11 LEU 79 6.124 -10.813 -11.517 672 HD12 LEU 79 HD12 LEU 79 4.585 -9.978 -11.309 673 HD13 LEU 79 HD13 LEU 79 5.857 -9.251 -12.291 674 HD21 LEU 79 HD21 LEU 79 5.474 -12.860 -13.759 675 HD22 LEU 79 HD22 LEU 79 6.774 -11.808 -13.199 676 HD23 LEU 79 HD23 LEU 79 6.097 -11.590 -14.813 677 H TYR 80 H TYR 80 1.666 -13.587 -15.614 678 HA TYR 80 HA TYR 80 -0.013 -14.826 -13.532 679 HD1 TYR 80 HD1 TYR 80 0.410 -15.585 -17.735 680 HD2 TYR 80 HD2 TYR 80 -1.406 -12.113 -16.076 681 HE1 TYR 80 HE1 TYR 80 0.929 -14.339 -19.790 682 HE2 TYR 80 HE2 TYR 80 -0.893 -10.858 -18.128 683 HH TYR 80 HH TYR 80 1.288 -11.717 -20.312 684 HB2 TYR 80 HB2 TYR 80 -1.195 -15.688 -15.785 685 HB3 TYR 80 HB3 TYR 80 -1.647 -14.188 -14.984 686 HA PRO 81 HA PRO 81 3.116 -18.001 -14.631 687 HB2 PRO 81 HB2 PRO 81 3.186 -19.086 -12.144 688 HB3 PRO 81 HB3 PRO 81 4.145 -17.674 -12.604 689 HG2 PRO 81 HG2 PRO 81 1.549 -17.799 -11.118 690 HG3 PRO 81 HG3 PRO 81 2.978 -16.799 -10.793 691 HD2 PRO 81 HD2 PRO 81 0.781 -15.837 -12.050 692 HD3 PRO 81 HD3 PRO 81 2.419 -15.254 -12.409 693 H LYS 82 H LYS 82 2.769 -20.117 -15.149 694 HA LYS 82 HA LYS 82 0.444 -21.512 -14.083 695 HB2 LYS 82 HB2 LYS 82 0.717 -20.563 -16.888 696 HB3 LYS 82 HB3 LYS 82 0.056 -22.175 -16.645 697 HG2 LYS 82 HG2 LYS 82 -1.118 -20.092 -14.945 698 HG3 LYS 82 HG3 LYS 82 -1.406 -19.901 -16.676 699 HD2 LYS 82 HD2 LYS 82 -3.182 -21.234 -16.116 700 HD3 LYS 82 HD3 LYS 82 -1.986 -22.467 -16.518 701 HE2 LYS 82 HE2 LYS 82 -1.649 -21.766 -13.787 702 HE3 LYS 82 HE3 LYS 82 -3.365 -22.058 -14.066 703 HZ1 LYS 82 HZ1 LYS 82 -2.961 -24.219 -14.059 704 HZ2 LYS 82 HZ2 LYS 82 -1.314 -23.938 -13.793 705 HZ3 LYS 82 HZ3 LYS 82 -1.907 -24.058 -15.372 706 H LEU 83 H LEU 83 0.362 -23.804 -15.073 707 HA LEU 83 HA LEU 83 3.088 -24.865 -14.969 708 HG LEU 83 HG LEU 83 2.882 -27.681 -14.700 709 HB2 LEU 83 HB2 LEU 83 0.988 -25.630 -13.558 710 HB3 LEU 83 HB3 LEU 83 0.686 -26.620 -14.984 711 HD11 LEU 83 HD11 LEU 83 4.281 -26.173 -13.664 712 HD12 LEU 83 HD12 LEU 83 3.900 -27.273 -12.340 713 HD13 LEU 83 HD13 LEU 83 3.076 -25.718 -12.459 714 HD21 LEU 83 HD21 LEU 83 0.824 -28.604 -13.647 715 HD22 LEU 83 HD22 LEU 83 1.269 -27.775 -12.156 716 HD23 LEU 83 HD23 LEU 83 2.314 -29.038 -12.808 717 H LYS 84 H LYS 84 3.508 -26.833 -16.341 718 HA LYS 84 HA LYS 84 3.131 -26.161 -19.077 719 HB2 LYS 84 HB2 LYS 84 4.276 -28.608 -17.730 720 HB3 LYS 84 HB3 LYS 84 4.249 -28.394 -19.476 721 HG2 LYS 84 HG2 LYS 84 6.329 -27.608 -19.057 722 HG3 LYS 84 HG3 LYS 84 5.428 -26.107 -18.833 723 HD2 LYS 84 HD2 LYS 84 5.617 -26.185 -16.530 724 HD3 LYS 84 HD3 LYS 84 5.866 -27.932 -16.507 725 HE2 LYS 84 HE2 LYS 84 7.846 -25.923 -17.573 726 HE3 LYS 84 HE3 LYS 84 7.908 -26.634 -15.962 727 HZ1 LYS 84 HZ1 LYS 84 7.748 -28.813 -17.511 728 HZ2 LYS 84 HZ2 LYS 84 9.202 -28.144 -16.962 729 HZ3 LYS 84 HZ3 LYS 84 8.637 -27.780 -18.514 730 H ALA 85 H ALA 85 2.189 -27.568 -20.715 731 HA ALA 85 HA ALA 85 0.088 -29.368 -19.761 732 HB1 ALA 85 HB1 ALA 85 -1.297 -28.150 -21.710 733 HB2 ALA 85 HB2 ALA 85 -1.378 -27.668 -20.015 734 HB3 ALA 85 HB3 ALA 85 -0.335 -26.789 -21.133 735 H THR 86 H THR 86 -1.069 -30.313 -21.831 736 HA THR 86 HA THR 86 1.080 -31.141 -23.667 737 HB THR 86 HB THR 86 -1.457 -32.693 -23.189 738 HG1 THR 86 HG1 THR 86 -0.078 -33.950 -21.724 739 HG21 THR 86 HG21 THR 86 -0.557 -33.841 -24.896 740 HG22 THR 86 HG22 THR 86 0.597 -34.440 -23.705 741 HG23 THR 86 HG23 THR 86 1.011 -33.055 -24.715 742 H ASP 87 H ASP 87 0.774 -31.065 -25.849 743 HA ASP 87 HA ASP 87 -1.833 -30.128 -26.833 744 HB2 ASP 87 HB2 ASP 87 0.879 -29.003 -27.557 745 HB3 ASP 87 HB3 ASP 87 -0.603 -28.647 -28.441 746 H GLU 88 H GLU 88 -1.495 -30.057 -29.459 747 HA GLU 88 HA GLU 88 -0.360 -32.667 -30.209 748 HB2 GLU 88 HB2 GLU 88 -2.264 -33.064 -31.682 749 HB3 GLU 88 HB3 GLU 88 -2.798 -32.861 -30.020 750 HG2 GLU 88 HG2 GLU 88 -3.830 -30.868 -30.443 751 HG3 GLU 88 HG3 GLU 88 -2.769 -30.480 -31.796 752 H ASP 89 H ASP 89 1.088 -30.379 -30.512 753 HA ASP 89 HA ASP 89 0.970 -29.923 -33.421 754 HB2 ASP 89 HB2 ASP 89 1.479 -27.989 -31.182 755 HB3 ASP 89 HB3 ASP 89 2.157 -27.692 -32.781 Start of MODEL 20 1 HA MET -4 HA MET -4 -16.931 8.245 -6.334 2 H1 MET -4 H1 MET -4 -18.979 6.631 -7.513 3 HB2 MET -4 HB2 MET -4 -17.043 7.081 -4.098 4 HB3 MET -4 HB3 MET -4 -18.317 8.254 -4.401 5 HG2 MET -4 HG2 MET -4 -19.831 6.413 -5.015 6 HG3 MET -4 HG3 MET -4 -18.554 5.264 -4.623 7 HE1 MET -4 HE1 MET -4 -20.379 8.451 -2.664 8 HE2 MET -4 HE2 MET -4 -21.358 7.354 -3.639 9 HE3 MET -4 HE3 MET -4 -21.469 7.307 -1.879 10 H GLY -3 H GLY -3 -15.010 7.260 -6.564 11 HA2 GLY -3 HA2 GLY -3 -15.053 4.399 -7.288 12 HA3 GLY -3 HA3 GLY -3 -13.867 5.560 -7.868 13 H SER -2 H SER -2 -12.054 4.512 -7.152 14 HA SER -2 HA SER -2 -11.321 4.909 -4.435 15 HG SER -2 HG SER -2 -11.755 2.486 -2.627 16 HB2 SER -2 HB2 SER -2 -12.789 2.779 -4.419 17 HB3 SER -2 HB3 SER -2 -11.417 2.001 -5.209 18 H SER -1 H SER -1 -9.144 3.677 -4.007 19 HA SER -1 HA SER -1 -7.412 4.379 -6.211 20 HG SER -1 HG SER -1 -5.996 3.073 -2.646 21 HB2 SER -1 HB2 SER -1 -5.582 3.883 -4.618 22 HB3 SER -1 HB3 SER -1 -6.762 5.004 -3.940 23 H HIS 0 H HIS 0 -6.242 3.022 -7.475 24 HA HIS 0 HA HIS 0 -6.343 0.146 -6.924 25 HD1 HIS 0 HD1 HIS 0 -5.974 0.769 -11.380 26 HD2 HIS 0 HD2 HIS 0 -8.339 3.351 -9.143 27 HE1 HIS 0 HE1 HIS 0 -6.264 2.821 -12.805 28 HB2 HIS 0 HB2 HIS 0 -6.870 -0.307 -9.307 29 HB3 HIS 0 HB3 HIS 0 -8.173 0.530 -8.468 30 H HIS 1 H HIS 1 -4.422 -0.795 -7.166 31 HA HIS 1 HA HIS 1 -2.537 0.086 -9.161 32 HD1 HIS 1 HD1 HIS 1 0.208 -0.174 -5.425 33 HD2 HIS 1 HD2 HIS 1 -3.872 0.565 -5.160 34 HE1 HIS 1 HE1 HIS 1 -0.405 -0.640 -3.031 35 HB2 HIS 1 HB2 HIS 1 -0.720 0.571 -7.577 36 HB3 HIS 1 HB3 HIS 1 -2.067 1.687 -7.369 37 H HIS 2 H HIS 2 -1.459 -1.625 -9.902 38 HA HIS 2 HA HIS 2 -0.422 -3.698 -8.290 39 HD1 HIS 2 HD1 HIS 2 -2.529 -7.167 -9.993 40 HD2 HIS 2 HD2 HIS 2 -0.896 -5.514 -6.548 41 HE1 HIS 2 HE1 HIS 2 -1.689 -9.117 -8.644 42 HB2 HIS 2 HB2 HIS 2 -3.001 -4.125 -8.392 43 HB3 HIS 2 HB3 HIS 2 -2.656 -4.708 -10.017 44 H HIS 3 H HIS 3 1.174 -4.706 -9.365 45 HA HIS 3 HA HIS 3 1.593 -3.991 -12.147 46 HD1 HIS 3 HD1 HIS 3 2.188 -2.398 -9.909 47 HD2 HIS 3 HD2 HIS 3 5.826 -3.493 -11.591 48 HE1 HIS 3 HE1 HIS 3 3.611 -0.326 -9.841 49 HB2 HIS 3 HB2 HIS 3 3.291 -5.306 -10.040 50 HB3 HIS 3 HB3 HIS 3 3.780 -5.306 -11.732 51 H HIS 4 H HIS 4 2.122 -7.078 -10.451 52 HA HIS 4 HA HIS 4 1.690 -9.232 -11.039 53 HD1 HIS 4 HD1 HIS 4 -2.055 -10.214 -13.369 54 HD2 HIS 4 HD2 HIS 4 0.462 -10.968 -10.151 55 HE1 HIS 4 HE1 HIS 4 -2.512 -12.595 -12.701 56 HB2 HIS 4 HB2 HIS 4 -0.668 -8.079 -11.253 57 HB3 HIS 4 HB3 HIS 4 -0.419 -8.358 -12.974 58 H HIS 5 H HIS 5 3.730 -7.916 -12.423 59 HA HIS 5 HA HIS 5 3.551 -8.309 -15.234 60 HD1 HIS 5 HD1 HIS 5 7.170 -5.605 -14.673 61 HD2 HIS 5 HD2 HIS 5 3.049 -6.050 -14.958 62 HE1 HIS 5 HE1 HIS 5 6.289 -3.333 -15.294 63 HB2 HIS 5 HB2 HIS 5 5.816 -7.797 -13.327 64 HB3 HIS 5 HB3 HIS 5 6.136 -8.174 -15.018 65 H SER 6 H SER 6 3.776 -10.104 -16.395 66 HA SER 6 HA SER 6 4.883 -12.488 -15.063 67 HG SER 6 HG SER 6 2.251 -13.699 -14.923 68 HB2 SER 6 HB2 SER 6 2.758 -12.289 -17.209 69 HB3 SER 6 HB3 SER 6 3.457 -13.805 -16.641 70 H SER 7 H SER 7 5.435 -14.181 -16.958 71 HA SER 7 HA SER 7 6.725 -12.961 -19.233 72 HG SER 7 HG SER 7 9.641 -12.184 -17.951 73 HB2 SER 7 HB2 SER 7 8.285 -13.983 -16.883 74 HB3 SER 7 HB3 SER 7 8.952 -14.137 -18.508 75 H GLY 8 H GLY 8 7.901 -14.658 -20.554 76 HA2 GLY 8 HA2 GLY 8 8.126 -17.175 -20.711 77 HA3 GLY 8 HA3 GLY 8 6.407 -17.197 -20.347 78 H LEU 9 H LEU 9 5.193 -17.553 -22.069 79 HA LEU 9 HA LEU 9 5.975 -16.320 -24.622 80 HG LEU 9 HG LEU 9 4.042 -18.253 -26.311 81 HB2 LEU 9 HB2 LEU 9 6.566 -18.668 -24.712 82 HB3 LEU 9 HB3 LEU 9 4.942 -19.120 -24.199 83 HD11 LEU 9 HD11 LEU 9 6.465 -18.094 -27.814 84 HD12 LEU 9 HD12 LEU 9 6.538 -16.959 -26.467 85 HD13 LEU 9 HD13 LEU 9 5.198 -16.883 -27.612 86 HD21 LEU 9 HD21 LEU 9 4.581 -20.591 -26.208 87 HD22 LEU 9 HD22 LEU 9 6.276 -20.261 -26.563 88 HD23 LEU 9 HD23 LEU 9 5.046 -19.975 -27.794 89 H VAL 10 H VAL 10 3.257 -18.314 -23.463 90 HA VAL 10 HA VAL 10 1.346 -16.679 -24.837 91 HB VAL 10 HB VAL 10 0.934 -19.062 -24.586 92 HG11 VAL 10 HG11 VAL 10 1.859 -18.690 -21.991 93 HG12 VAL 10 HG12 VAL 10 0.150 -19.088 -21.805 94 HG13 VAL 10 HG13 VAL 10 1.220 -20.180 -22.684 95 HG21 VAL 10 HG21 VAL 10 -1.027 -17.315 -23.104 96 HG22 VAL 10 HG22 VAL 10 -1.013 -17.683 -24.829 97 HG23 VAL 10 HG23 VAL 10 -1.377 -18.952 -23.660 98 HA PRO 11 HA PRO 11 0.745 -13.677 -21.643 99 HB2 PRO 11 HB2 PRO 11 -1.552 -12.598 -22.609 100 HB3 PRO 11 HB3 PRO 11 0.034 -12.277 -23.320 101 HG2 PRO 11 HG2 PRO 11 -2.084 -14.197 -24.206 102 HG3 PRO 11 HG3 PRO 11 -1.084 -13.106 -25.183 103 HD2 PRO 11 HD2 PRO 11 -0.545 -15.748 -24.937 104 HD3 PRO 11 HD3 PRO 11 0.729 -14.528 -25.143 105 H ARG 12 H ARG 12 0.224 -14.644 -19.741 106 HA ARG 12 HA ARG 12 -2.616 -15.196 -19.279 107 HE ARG 12 HE ARG 12 -4.524 -19.217 -17.923 108 HB2 ARG 12 HB2 ARG 12 -1.199 -17.317 -19.728 109 HB3 ARG 12 HB3 ARG 12 -0.522 -17.020 -18.133 110 HG2 ARG 12 HG2 ARG 12 -2.278 -18.590 -17.878 111 HG3 ARG 12 HG3 ARG 12 -2.855 -17.053 -17.231 112 HD2 ARG 12 HD2 ARG 12 -4.197 -16.648 -19.135 113 HD3 ARG 12 HD3 ARG 12 -3.413 -17.935 -20.051 114 HH11 ARG 12 HH11 ARG 12 -5.734 -17.082 -20.393 115 HH12 ARG 12 HH12 ARG 12 -7.321 -17.778 -20.400 116 HH21 ARG 12 HH21 ARG 12 -6.610 -20.141 -17.923 117 HH22 ARG 12 HH22 ARG 12 -7.818 -19.517 -18.994 118 H GLY 13 H GLY 13 -1.822 -12.883 -18.477 119 HA2 GLY 13 HA2 GLY 13 -1.717 -13.117 -15.586 120 HA3 GLY 13 HA3 GLY 13 -0.334 -12.316 -16.316 121 H SER 14 H SER 14 -1.079 -10.599 -18.032 122 HA SER 14 HA SER 14 -2.225 -8.483 -16.680 123 HG SER 14 HG SER 14 -2.687 -6.944 -19.960 124 HB2 SER 14 HB2 SER 14 -0.921 -8.104 -18.677 125 HB3 SER 14 HB3 SER 14 -2.085 -8.993 -19.660 126 H HIS 15 H HIS 15 -4.249 -7.303 -17.231 127 HA HIS 15 HA HIS 15 -6.481 -9.195 -17.282 128 HD1 HIS 15 HD1 HIS 15 -7.649 -9.816 -15.570 129 HD2 HIS 15 HD2 HIS 15 -9.378 -6.040 -15.703 130 HE1 HIS 15 HE1 HIS 15 -9.994 -10.120 -14.714 131 HB2 HIS 15 HB2 HIS 15 -6.045 -7.232 -15.540 132 HB3 HIS 15 HB3 HIS 15 -6.893 -6.288 -16.762 133 H MET 16 H MET 16 -4.961 -8.291 -19.685 134 HA MET 16 HA MET 16 -7.139 -6.955 -21.147 135 HB2 MET 16 HB2 MET 16 -4.165 -6.999 -21.523 136 HB3 MET 16 HB3 MET 16 -5.217 -6.662 -22.891 137 HG2 MET 16 HG2 MET 16 -6.252 -4.948 -21.123 138 HG3 MET 16 HG3 MET 16 -4.597 -5.020 -20.521 139 HE1 MET 16 HE1 MET 16 -6.138 -4.634 -24.482 140 HE2 MET 16 HE2 MET 16 -7.055 -4.165 -23.050 141 HE3 MET 16 HE3 MET 16 -6.306 -2.929 -24.062 142 H SER 17 H SER 17 -7.411 -7.643 -23.432 143 HA SER 17 HA SER 17 -6.673 -10.433 -23.929 144 HG SER 17 HG SER 17 -9.345 -11.294 -22.412 145 HB2 SER 17 HB2 SER 17 -9.507 -9.447 -24.296 146 HB3 SER 17 HB3 SER 17 -8.916 -11.101 -24.449 147 H VAL 18 H VAL 18 -6.153 -10.839 -25.998 148 HA VAL 18 HA VAL 18 -5.701 -8.778 -27.819 149 HB VAL 18 HB VAL 18 -6.026 -11.725 -28.400 150 HG11 VAL 18 HG11 VAL 18 -4.706 -11.275 -30.411 151 HG12 VAL 18 HG12 VAL 18 -6.225 -10.376 -30.421 152 HG13 VAL 18 HG13 VAL 18 -4.714 -9.553 -30.031 153 HG21 VAL 18 HG21 VAL 18 -3.634 -11.872 -28.182 154 HG22 VAL 18 HG22 VAL 18 -3.512 -10.133 -27.916 155 HG23 VAL 18 HG23 VAL 18 -4.295 -11.157 -26.712 156 H ASP 19 H ASP 19 -8.471 -10.895 -27.406 157 HA ASP 19 HA ASP 19 -9.785 -10.330 -29.826 158 HB2 ASP 19 HB2 ASP 19 -10.340 -12.173 -28.176 159 HB3 ASP 19 HB3 ASP 19 -11.144 -10.946 -27.200 160 H ASP 20 H ASP 20 -9.227 -8.395 -27.086 161 HA ASP 20 HA ASP 20 -11.451 -6.595 -27.720 162 HB2 ASP 20 HB2 ASP 20 -10.740 -7.399 -25.313 163 HB3 ASP 20 HB3 ASP 20 -9.553 -6.105 -25.460 164 H ILE 21 H ILE 21 -8.964 -6.948 -29.343 165 HA ILE 21 HA ILE 21 -7.904 -4.207 -29.159 166 HB ILE 21 HB ILE 21 -6.658 -6.642 -30.440 167 HG12 ILE 21 HG12 ILE 21 -5.905 -5.073 -27.964 168 HG13 ILE 21 HG13 ILE 21 -6.585 -6.696 -27.992 169 HG21 ILE 21 HG21 ILE 21 -4.698 -5.205 -30.791 170 HG22 ILE 21 HG22 ILE 21 -6.108 -4.632 -31.680 171 HG23 ILE 21 HG23 ILE 21 -5.617 -3.824 -30.192 172 HD11 ILE 21 HD11 ILE 21 -3.904 -5.872 -29.079 173 HD12 ILE 21 HD12 ILE 21 -4.204 -6.772 -27.592 174 HD13 ILE 21 HD13 ILE 21 -4.585 -7.497 -29.155 175 H ILE 22 H ILE 22 -8.002 -2.861 -30.891 176 HA ILE 22 HA ILE 22 -9.587 -3.798 -33.177 177 HB ILE 22 HB ILE 22 -10.097 -1.486 -33.638 178 HG12 ILE 22 HG12 ILE 22 -8.271 -0.834 -31.314 179 HG13 ILE 22 HG13 ILE 22 -7.934 -0.508 -33.011 180 HG21 ILE 22 HG21 ILE 22 -10.457 -1.537 -30.695 181 HG22 ILE 22 HG22 ILE 22 -11.626 -1.215 -31.974 182 HG23 ILE 22 HG23 ILE 22 -11.134 -2.872 -31.627 183 HD11 ILE 22 HD11 ILE 22 -10.132 0.713 -31.360 184 HD12 ILE 22 HD12 ILE 22 -8.649 1.504 -31.893 185 HD13 ILE 22 HD13 ILE 22 -9.860 1.011 -33.077 186 H ILE 23 H ILE 23 -8.997 -2.083 -35.133 187 HA ILE 23 HA ILE 23 -6.210 -2.746 -35.759 188 HB ILE 23 HB ILE 23 -8.320 -1.767 -37.679 189 HG12 ILE 23 HG12 ILE 23 -9.076 -3.855 -36.641 190 HG13 ILE 23 HG13 ILE 23 -8.627 -4.122 -38.322 191 HG21 ILE 23 HG21 ILE 23 -5.510 -2.562 -37.884 192 HG22 ILE 23 HG22 ILE 23 -6.567 -3.322 -39.072 193 HG23 ILE 23 HG23 ILE 23 -6.490 -1.564 -38.958 194 HD11 ILE 23 HD11 ILE 23 -6.340 -4.577 -36.706 195 HD12 ILE 23 HD12 ILE 23 -7.701 -5.460 -36.017 196 HD13 ILE 23 HD13 ILE 23 -7.241 -5.721 -37.700 197 H LYS 24 H LYS 24 -4.803 -1.206 -36.677 198 HA LYS 24 HA LYS 24 -3.794 0.824 -36.853 199 HB2 LYS 24 HB2 LYS 24 -6.608 1.912 -37.047 200 HB3 LYS 24 HB3 LYS 24 -5.135 2.721 -37.565 201 HG2 LYS 24 HG2 LYS 24 -5.427 0.122 -38.805 202 HG3 LYS 24 HG3 LYS 24 -6.810 1.172 -39.125 203 HD2 LYS 24 HD2 LYS 24 -5.496 2.786 -40.174 204 HD3 LYS 24 HD3 LYS 24 -4.007 2.188 -39.439 205 HE2 LYS 24 HE2 LYS 24 -3.676 1.216 -41.436 206 HE3 LYS 24 HE3 LYS 24 -4.816 0.009 -40.842 207 HZ1 LYS 24 HZ1 LYS 24 -6.607 1.256 -41.913 208 HZ2 LYS 24 HZ2 LYS 24 -5.442 0.757 -43.034 209 HZ3 LYS 24 HZ3 LYS 24 -5.484 2.367 -42.519 210 H CYS 25 H CYS 25 -4.349 -0.196 -34.252 211 HA CYS 25 HA CYS 25 -4.998 2.193 -32.687 212 HG CYS 25 HG CYS 25 -4.988 0.320 -29.219 213 HB2 CYS 25 HB2 CYS 25 -6.031 -0.119 -32.231 214 HB3 CYS 25 HB3 CYS 25 -4.461 -0.549 -31.566 215 H GLN 26 H GLN 26 -3.609 2.954 -31.043 216 HA GLN 26 HA GLN 26 -0.791 2.538 -31.653 217 HB2 GLN 26 HB2 GLN 26 -0.423 4.500 -30.195 218 HB3 GLN 26 HB3 GLN 26 -1.550 4.835 -31.503 219 HG2 GLN 26 HG2 GLN 26 -3.130 3.971 -29.373 220 HG3 GLN 26 HG3 GLN 26 -1.925 5.044 -28.663 221 HE21 GLN 26 HE21 GLN 26 -3.369 6.671 -28.215 222 HE22 GLN 26 HE22 GLN 26 -4.110 7.635 -29.442 223 H CYS 27 H CYS 27 0.379 1.129 -30.548 224 HA CYS 27 HA CYS 27 -0.436 0.475 -27.793 225 HG CYS 27 HG CYS 27 -1.812 -1.886 -27.854 226 HB2 CYS 27 HB2 CYS 27 -0.108 -1.232 -29.965 227 HB3 CYS 27 HB3 CYS 27 1.370 -1.441 -29.033 228 H TRP 28 H TRP 28 1.000 0.707 -26.176 229 HA TRP 28 HA TRP 28 3.399 2.175 -26.668 230 HD1 TRP 28 HD1 TRP 28 0.426 3.155 -23.793 231 HE1 TRP 28 HE1 TRP 28 0.672 5.717 -23.786 232 HE3 TRP 28 HE3 TRP 28 5.245 3.512 -25.462 233 HZ2 TRP 28 HZ2 TRP 28 2.647 7.635 -24.406 234 HZ3 TRP 28 HZ3 TRP 28 6.238 5.747 -25.728 235 HH2 TRP 28 HH2 TRP 28 4.965 7.765 -25.211 236 HB2 TRP 28 HB2 TRP 28 1.953 1.167 -24.274 237 HB3 TRP 28 HB3 TRP 28 3.669 1.514 -24.088 238 H VAL 29 H VAL 29 5.342 1.403 -27.144 239 HA VAL 29 HA VAL 29 5.855 -1.460 -26.770 240 HB VAL 29 HB VAL 29 7.485 0.512 -28.373 241 HG11 VAL 29 HG11 VAL 29 8.297 -1.869 -27.499 242 HG12 VAL 29 HG12 VAL 29 7.433 -2.396 -28.945 243 HG13 VAL 29 HG13 VAL 29 8.755 -1.235 -29.079 244 HG21 VAL 29 HG21 VAL 29 6.358 -0.551 -30.347 245 HG22 VAL 29 HG22 VAL 29 5.217 -1.283 -29.218 246 HG23 VAL 29 HG23 VAL 29 5.314 0.472 -29.361 247 H GLN 30 H GLN 30 6.853 -1.972 -24.938 248 HA GLN 30 HA GLN 30 8.728 -0.073 -23.736 249 HB2 GLN 30 HB2 GLN 30 6.788 -1.262 -22.476 250 HB3 GLN 30 HB3 GLN 30 7.867 -2.651 -22.464 251 HG2 GLN 30 HG2 GLN 30 9.593 -1.070 -21.439 252 HG3 GLN 30 HG3 GLN 30 8.234 0.016 -21.152 253 HE21 GLN 30 HE21 GLN 30 9.774 -2.948 -20.263 254 HE22 GLN 30 HE22 GLN 30 8.809 -3.278 -18.870 255 H LYS 31 H LYS 31 10.691 -0.291 -24.640 256 HA LYS 31 HA LYS 31 11.740 -2.844 -25.443 257 HB2 LYS 31 HB2 LYS 31 13.149 -0.177 -25.224 258 HB3 LYS 31 HB3 LYS 31 13.738 -1.597 -26.080 259 HG2 LYS 31 HG2 LYS 31 11.106 -0.410 -26.829 260 HG3 LYS 31 HG3 LYS 31 12.603 0.340 -27.387 261 HD2 LYS 31 HD2 LYS 31 12.191 -1.111 -29.116 262 HD3 LYS 31 HD3 LYS 31 13.198 -2.126 -28.080 263 HE2 LYS 31 HE2 LYS 31 11.484 -3.499 -27.535 264 HE3 LYS 31 HE3 LYS 31 10.297 -2.196 -27.543 265 HZ1 LYS 31 HZ1 LYS 31 9.739 -3.536 -29.352 266 HZ2 LYS 31 HZ2 LYS 31 11.347 -3.731 -29.841 267 HZ3 LYS 31 HZ3 LYS 31 10.574 -2.242 -30.051 268 H ASN 32 H ASN 32 13.929 -3.559 -24.693 269 HA ASN 32 HA ASN 32 13.929 -4.233 -22.020 270 HB2 ASN 32 HB2 ASN 32 16.336 -3.947 -23.834 271 HB3 ASN 32 HB3 ASN 32 16.298 -4.849 -22.321 272 HD21 ASN 32 HD21 ASN 32 17.102 -6.347 -24.207 273 HD22 ASN 32 HD22 ASN 32 15.877 -7.376 -24.859 274 H ASP 33 H ASP 33 15.730 -1.599 -23.589 275 HA ASP 33 HA ASP 33 15.854 -0.243 -20.988 276 HB2 ASP 33 HB2 ASP 33 18.175 0.519 -21.561 277 HB3 ASP 33 HB3 ASP 33 18.040 -1.208 -21.238 278 H GLU 34 H GLU 34 14.255 0.009 -23.524 279 HA GLU 34 HA GLU 34 14.681 2.885 -23.866 280 HB2 GLU 34 HB2 GLU 34 14.689 0.814 -26.025 281 HB3 GLU 34 HB3 GLU 34 14.030 2.408 -26.369 282 HG2 GLU 34 HG2 GLU 34 16.099 3.462 -25.933 283 HG3 GLU 34 HG3 GLU 34 16.776 1.996 -25.226 284 H GLU 35 H GLU 35 12.772 3.821 -25.195 285 HA GLU 35 HA GLU 35 10.276 2.396 -24.637 286 HB2 GLU 35 HB2 GLU 35 11.216 4.527 -23.056 287 HB3 GLU 35 HB3 GLU 35 9.944 5.202 -24.065 288 HG2 GLU 35 HG2 GLU 35 8.312 3.976 -23.080 289 HG3 GLU 35 HG3 GLU 35 9.385 2.623 -22.728 290 H ARG 36 H ARG 36 9.159 2.316 -26.459 291 HA ARG 36 HA ARG 36 9.034 4.691 -28.168 292 HE ARG 36 HE ARG 36 13.199 5.025 -29.697 293 HB2 ARG 36 HB2 ARG 36 9.790 1.913 -29.070 294 HB3 ARG 36 HB3 ARG 36 9.206 3.147 -30.178 295 HG2 ARG 36 HG2 ARG 36 11.542 3.696 -28.394 296 HG3 ARG 36 HG3 ARG 36 11.746 2.797 -29.899 297 HD2 ARG 36 HD2 ARG 36 10.733 4.660 -31.135 298 HD3 ARG 36 HD3 ARG 36 10.560 5.557 -29.627 299 HH11 ARG 36 HH11 ARG 36 11.000 6.385 -32.029 300 HH12 ARG 36 HH12 ARG 36 12.206 7.375 -32.782 301 HH21 ARG 36 HH21 ARG 36 14.795 6.324 -30.681 302 HH22 ARG 36 HH22 ARG 36 14.364 7.339 -32.015 303 H LEU 37 H LEU 37 7.355 4.225 -30.005 304 HA LEU 37 HA LEU 37 5.089 2.732 -28.865 305 HG LEU 37 HG LEU 37 3.024 3.954 -30.692 306 HB2 LEU 37 HB2 LEU 37 4.682 5.062 -28.460 307 HB3 LEU 37 HB3 LEU 37 5.065 5.464 -30.133 308 HD11 LEU 37 HD11 LEU 37 3.020 3.688 -27.926 309 HD12 LEU 37 HD12 LEU 37 1.735 3.220 -29.040 310 HD13 LEU 37 HD13 LEU 37 1.700 4.807 -28.271 311 HD21 LEU 37 HD21 LEU 37 2.274 6.518 -29.361 312 HD22 LEU 37 HD22 LEU 37 1.738 5.850 -30.903 313 HD23 LEU 37 HD23 LEU 37 3.352 6.545 -30.757 314 H ALA 38 H ALA 38 3.783 1.644 -30.298 315 HA ALA 38 HA ALA 38 4.484 1.806 -33.149 316 HB1 ALA 38 HB1 ALA 38 4.277 -0.677 -33.275 317 HB2 ALA 38 HB2 ALA 38 5.666 -0.110 -32.346 318 HB3 ALA 38 HB3 ALA 38 4.233 -0.710 -31.512 319 H GLU 39 H GLU 39 2.825 0.633 -34.522 320 HA GLU 39 HA GLU 39 0.138 1.002 -33.369 321 HB2 GLU 39 HB2 GLU 39 0.900 2.715 -35.099 322 HB3 GLU 39 HB3 GLU 39 0.826 1.411 -36.275 323 HG2 GLU 39 HG2 GLU 39 -1.495 1.197 -36.062 324 HG3 GLU 39 HG3 GLU 39 -1.528 2.127 -34.564 325 H ILE 40 H ILE 40 -1.555 -0.321 -34.296 326 HA ILE 40 HA ILE 40 -0.537 -2.960 -35.067 327 HB ILE 40 HB ILE 40 -3.276 -2.170 -34.066 328 HG12 ILE 40 HG12 ILE 40 -1.482 -1.978 -32.370 329 HG13 ILE 40 HG13 ILE 40 -2.627 -3.260 -31.988 330 HG21 ILE 40 HG21 ILE 40 -3.024 -4.868 -33.706 331 HG22 ILE 40 HG22 ILE 40 -3.890 -4.093 -35.031 332 HG23 ILE 40 HG23 ILE 40 -2.222 -4.621 -35.257 333 HD11 ILE 40 HD11 ILE 40 -1.015 -4.773 -31.953 334 HD12 ILE 40 HD12 ILE 40 -0.434 -4.281 -33.544 335 HD13 ILE 40 HD13 ILE 40 0.142 -3.449 -32.099 336 H LEU 41 H LEU 41 -0.929 -3.841 -37.006 337 HA LEU 41 HA LEU 41 -2.609 -2.316 -38.876 338 HG LEU 41 HG LEU 41 0.638 -2.282 -40.655 339 HB2 LEU 41 HB2 LEU 41 -0.151 -3.965 -39.187 340 HB3 LEU 41 HB3 LEU 41 -1.283 -3.882 -40.536 341 HD11 LEU 41 HD11 LEU 41 -1.197 -0.259 -40.808 342 HD12 LEU 41 HD12 LEU 41 -2.204 -1.698 -40.962 343 HD13 LEU 41 HD13 LEU 41 -0.863 -1.437 -42.077 344 HD21 LEU 41 HD21 LEU 41 0.773 -1.730 -38.280 345 HD22 LEU 41 HD22 LEU 41 -0.809 -0.955 -38.365 346 HD23 LEU 41 HD23 LEU 41 0.552 -0.280 -39.261 347 H SER 42 H SER 42 -1.565 -5.711 -38.529 348 HA SER 42 HA SER 42 -4.373 -6.520 -38.871 349 HG SER 42 HG SER 42 -1.200 -6.939 -40.632 350 HB2 SER 42 HB2 SER 42 -3.526 -8.473 -40.223 351 HB3 SER 42 HB3 SER 42 -3.353 -6.905 -41.012 352 H ILE 43 H ILE 43 -4.813 -8.733 -38.112 353 HA ILE 43 HA ILE 43 -2.950 -9.595 -36.001 354 HB ILE 43 HB ILE 43 -5.960 -9.488 -35.774 355 HG12 ILE 43 HG12 ILE 43 -3.814 -7.941 -34.305 356 HG13 ILE 43 HG13 ILE 43 -4.869 -7.288 -35.553 357 HG21 ILE 43 HG21 ILE 43 -4.032 -11.115 -34.444 358 HG22 ILE 43 HG22 ILE 43 -4.720 -9.977 -33.286 359 HG23 ILE 43 HG23 ILE 43 -5.778 -11.047 -34.205 360 HD11 ILE 43 HD11 ILE 43 -6.357 -6.770 -34.010 361 HD12 ILE 43 HD12 ILE 43 -6.507 -8.472 -33.576 362 HD13 ILE 43 HD13 ILE 43 -5.315 -7.456 -32.764 363 H ASN 44 H ASN 44 -2.415 -11.677 -36.089 364 HA ASN 44 HA ASN 44 -4.051 -13.459 -37.768 365 HB2 ASN 44 HB2 ASN 44 -1.768 -13.079 -38.616 366 HB3 ASN 44 HB3 ASN 44 -1.108 -13.666 -37.092 367 HD21 ASN 44 HD21 ASN 44 0.012 -15.163 -38.534 368 HD22 ASN 44 HD22 ASN 44 -0.789 -16.622 -38.999 369 H THR 45 H THR 45 -4.979 -15.182 -36.864 370 HA THR 45 HA THR 45 -4.208 -15.874 -34.105 371 HB THR 45 HB THR 45 -6.466 -16.683 -33.749 372 HG1 THR 45 HG1 THR 45 -8.003 -16.149 -35.556 373 HG21 THR 45 HG21 THR 45 -7.701 -14.575 -33.920 374 HG22 THR 45 HG22 THR 45 -6.483 -13.946 -35.028 375 HG23 THR 45 HG23 THR 45 -6.053 -14.302 -33.355 376 H ARG 46 H ARG 46 -2.764 -16.955 -36.234 377 HA ARG 46 HA ARG 46 -3.796 -19.672 -36.576 378 HE ARG 46 HE ARG 46 -0.677 -22.210 -39.633 379 HB2 ARG 46 HB2 ARG 46 -2.969 -18.453 -38.568 380 HB3 ARG 46 HB3 ARG 46 -1.377 -18.359 -37.827 381 HG2 ARG 46 HG2 ARG 46 -1.396 -20.883 -37.764 382 HG3 ARG 46 HG3 ARG 46 -2.828 -20.804 -38.792 383 HD2 ARG 46 HD2 ARG 46 -1.608 -19.692 -40.521 384 HD3 ARG 46 HD3 ARG 46 -0.204 -19.492 -39.474 385 HH11 ARG 46 HH11 ARG 46 0.107 -19.616 -41.820 386 HH12 ARG 46 HH12 ARG 46 0.964 -20.635 -42.928 387 HH21 ARG 46 HH21 ARG 46 0.449 -23.562 -41.085 388 HH22 ARG 46 HH22 ARG 46 1.157 -22.879 -42.510 389 H LYS 47 H LYS 47 -1.378 -17.870 -34.885 390 HA LYS 47 HA LYS 47 -0.146 -20.372 -33.938 391 HB2 LYS 47 HB2 LYS 47 0.929 -17.566 -34.160 392 HB3 LYS 47 HB3 LYS 47 1.708 -18.782 -33.156 393 HG2 LYS 47 HG2 LYS 47 1.219 -19.024 -36.118 394 HG3 LYS 47 HG3 LYS 47 2.752 -18.582 -35.362 395 HD2 LYS 47 HD2 LYS 47 2.696 -20.766 -34.150 396 HD3 LYS 47 HD3 LYS 47 1.277 -21.200 -35.106 397 HE2 LYS 47 HE2 LYS 47 2.672 -20.783 -37.159 398 HE3 LYS 47 HE3 LYS 47 4.068 -20.643 -36.092 399 HZ1 LYS 47 HZ1 LYS 47 2.352 -23.027 -35.934 400 HZ2 LYS 47 HZ2 LYS 47 3.993 -22.861 -35.555 401 HZ3 LYS 47 HZ3 LYS 47 3.500 -22.908 -37.172 402 H ALA 48 H ALA 48 0.784 -20.088 -31.632 403 HA ALA 48 HA ALA 48 -1.038 -18.537 -29.935 404 HB1 ALA 48 HB1 ALA 48 -0.625 -21.501 -29.862 405 HB2 ALA 48 HB2 ALA 48 -1.057 -20.617 -28.397 406 HB3 ALA 48 HB3 ALA 48 -2.127 -20.579 -29.798 407 HA PRO 49 HA PRO 49 -1.041 -17.187 -28.590 408 HB2 PRO 49 HB2 PRO 49 0.140 -14.754 -28.353 409 HB3 PRO 49 HB3 PRO 49 -0.167 -15.811 -26.970 410 HG2 PRO 49 HG2 PRO 49 2.367 -15.392 -28.508 411 HG3 PRO 49 HG3 PRO 49 2.130 -15.520 -26.755 412 HD2 PRO 49 HD2 PRO 49 3.025 -17.586 -28.259 413 HD3 PRO 49 HD3 PRO 49 2.026 -17.822 -26.810 414 HA PRO 50 HA PRO 50 -1.206 -15.796 -32.757 415 HB2 PRO 50 HB2 PRO 50 -2.748 -13.568 -32.587 416 HB3 PRO 50 HB3 PRO 50 -3.393 -15.201 -32.382 417 HG2 PRO 50 HG2 PRO 50 -2.627 -13.192 -30.299 418 HG3 PRO 50 HG3 PRO 50 -4.048 -14.250 -30.363 419 HD2 PRO 50 HD2 PRO 50 -1.883 -14.811 -28.837 420 HD3 PRO 50 HD3 PRO 50 -2.880 -16.077 -29.581 421 H LYS 51 H LYS 51 -0.399 -14.290 -34.255 422 HA LYS 51 HA LYS 51 1.571 -12.434 -33.127 423 HB2 LYS 51 HB2 LYS 51 1.334 -13.309 -36.005 424 HB3 LYS 51 HB3 LYS 51 2.713 -12.548 -35.222 425 HG2 LYS 51 HG2 LYS 51 2.872 -14.603 -33.771 426 HG3 LYS 51 HG3 LYS 51 1.688 -15.347 -34.847 427 HD2 LYS 51 HD2 LYS 51 4.367 -14.232 -35.678 428 HD3 LYS 51 HD3 LYS 51 3.985 -15.942 -35.469 429 HE2 LYS 51 HE2 LYS 51 2.634 -14.086 -37.425 430 HE3 LYS 51 HE3 LYS 51 3.920 -15.221 -37.831 431 HZ1 LYS 51 HZ1 LYS 51 2.034 -16.398 -38.362 432 HZ2 LYS 51 HZ2 LYS 51 1.131 -15.774 -37.075 433 HZ3 LYS 51 HZ3 LYS 51 2.321 -16.941 -36.786 434 H PHE 52 H PHE 52 1.788 -10.302 -33.952 435 HA PHE 52 HA PHE 52 -0.533 -9.273 -35.427 436 HD1 PHE 52 HD1 PHE 52 -2.325 -9.864 -33.901 437 HD2 PHE 52 HD2 PHE 52 0.426 -8.482 -30.962 438 HE1 PHE 52 HE1 PHE 52 -3.454 -11.240 -32.202 439 HE2 PHE 52 HE2 PHE 52 -0.697 -9.857 -29.259 440 HZ PHE 52 HZ PHE 52 -2.639 -11.239 -29.878 441 HB2 PHE 52 HB2 PHE 52 0.656 -7.756 -33.114 442 HB3 PHE 52 HB3 PHE 52 -0.885 -7.491 -33.922 443 H TYR 53 H TYR 53 -0.099 -7.691 -36.892 444 HA TYR 53 HA TYR 53 2.680 -7.256 -37.548 445 HD1 TYR 53 HD1 TYR 53 3.709 -7.510 -39.247 446 HD2 TYR 53 HD2 TYR 53 0.810 -4.874 -40.905 447 HE1 TYR 53 HE1 TYR 53 5.349 -6.771 -40.925 448 HE2 TYR 53 HE2 TYR 53 2.441 -4.129 -42.588 449 HH TYR 53 HH TYR 53 4.492 -4.968 -43.663 450 HB2 TYR 53 HB2 TYR 53 0.781 -7.676 -39.218 451 HB3 TYR 53 HB3 TYR 53 0.314 -6.003 -38.933 452 H VAL 54 H VAL 54 3.777 -5.759 -36.464 453 HA VAL 54 HA VAL 54 2.418 -3.332 -35.554 454 HB VAL 54 HB VAL 54 4.545 -2.904 -34.306 455 HG11 VAL 54 HG11 VAL 54 3.997 -4.326 -32.537 456 HG12 VAL 54 HG12 VAL 54 2.490 -4.182 -33.445 457 HG13 VAL 54 HG13 VAL 54 3.490 -5.625 -33.616 458 HG21 VAL 54 HG21 VAL 54 5.263 -5.699 -35.182 459 HG22 VAL 54 HG22 VAL 54 6.006 -4.225 -35.803 460 HG23 VAL 54 HG23 VAL 54 6.191 -4.658 -34.104 461 H HIS 55 H HIS 55 2.896 -1.322 -36.282 462 HA HIS 55 HA HIS 55 5.030 -1.070 -38.295 463 HD1 HIS 55 HD1 HIS 55 5.612 -0.158 -40.235 464 HD2 HIS 55 HD2 HIS 55 2.129 2.100 -40.425 465 HE1 HIS 55 HE1 HIS 55 6.048 1.606 -41.974 466 HB2 HIS 55 HB2 HIS 55 2.806 -1.165 -39.386 467 HB3 HIS 55 HB3 HIS 55 2.301 0.231 -38.439 468 H TYR 56 H TYR 56 6.117 0.900 -38.367 469 HA TYR 56 HA TYR 56 5.819 2.521 -35.943 470 HD1 TYR 56 HD1 TYR 56 6.881 0.389 -35.329 471 HD2 TYR 56 HD2 TYR 56 9.805 3.474 -35.513 472 HE1 TYR 56 HE1 TYR 56 7.777 -0.339 -33.157 473 HE2 TYR 56 HE2 TYR 56 10.710 2.753 -33.343 474 HH TYR 56 HH TYR 56 10.694 0.425 -32.023 475 HB2 TYR 56 HB2 TYR 56 8.080 1.739 -37.661 476 HB3 TYR 56 HB3 TYR 56 8.115 3.413 -37.119 477 H VAL 57 H VAL 57 5.692 4.768 -36.012 478 HA VAL 57 HA VAL 57 4.555 5.826 -38.483 479 HB VAL 57 HB VAL 57 3.863 7.750 -37.130 480 HG11 VAL 57 HG11 VAL 57 2.699 6.054 -35.285 481 HG12 VAL 57 HG12 VAL 57 2.073 6.440 -36.889 482 HG13 VAL 57 HG13 VAL 57 3.063 5.000 -36.650 483 HG21 VAL 57 HG21 VAL 57 5.929 6.954 -35.439 484 HG22 VAL 57 HG22 VAL 57 4.777 8.260 -35.166 485 HG23 VAL 57 HG23 VAL 57 4.452 6.649 -34.525 486 H ASN 58 H ASN 58 7.288 5.368 -38.648 487 HA ASN 58 HA ASN 58 8.297 8.121 -38.851 488 HB2 ASN 58 HB2 ASN 58 9.873 5.719 -37.899 489 HB3 ASN 58 HB3 ASN 58 10.549 7.314 -38.214 490 HD21 ASN 58 HD21 ASN 58 9.146 9.094 -37.064 491 HD22 ASN 58 HD22 ASN 58 8.870 8.794 -35.385 492 H TYR 59 H TYR 59 10.587 7.844 -40.135 493 HA TYR 59 HA TYR 59 9.848 7.247 -42.778 494 HD1 TYR 59 HD1 TYR 59 10.203 9.485 -43.674 495 HD2 TYR 59 HD2 TYR 59 13.051 9.445 -40.513 496 HE1 TYR 59 HE1 TYR 59 9.857 11.897 -43.339 497 HE2 TYR 59 HE2 TYR 59 12.712 11.856 -40.169 498 HH TYR 59 HH TYR 59 10.180 13.608 -41.805 499 HB2 TYR 59 HB2 TYR 59 12.647 7.492 -41.659 500 HB3 TYR 59 HB3 TYR 59 12.179 7.662 -43.347 501 H ASN 60 H ASN 60 11.866 5.464 -40.464 502 HA ASN 60 HA ASN 60 12.688 3.378 -42.082 503 HB2 ASN 60 HB2 ASN 60 11.885 3.013 -39.195 504 HB3 ASN 60 HB3 ASN 60 13.133 2.151 -40.090 505 HD21 ASN 60 HD21 ASN 60 14.774 3.779 -41.115 506 HD22 ASN 60 HD22 ASN 60 15.405 4.944 -40.007 507 H LYS 61 H LYS 61 11.353 2.328 -43.424 508 HA LYS 61 HA LYS 61 8.675 1.584 -42.583 509 HB2 LYS 61 HB2 LYS 61 8.370 0.832 -44.877 510 HB3 LYS 61 HB3 LYS 61 9.055 2.452 -44.856 511 HG2 LYS 61 HG2 LYS 61 11.220 1.620 -45.420 512 HG3 LYS 61 HG3 LYS 61 10.686 -0.050 -45.222 513 HD2 LYS 61 HD2 LYS 61 10.741 0.406 -47.561 514 HD3 LYS 61 HD3 LYS 61 9.045 0.356 -47.077 515 HE2 LYS 61 HE2 LYS 61 9.076 2.254 -48.371 516 HE3 LYS 61 HE3 LYS 61 9.368 2.935 -46.771 517 HZ1 LYS 61 HZ1 LYS 61 11.234 3.798 -47.553 518 HZ2 LYS 61 HZ2 LYS 61 11.000 3.064 -49.059 519 HZ3 LYS 61 HZ3 LYS 61 11.841 2.245 -47.841 520 H ARG 62 H ARG 62 11.802 0.131 -42.999 521 HA ARG 62 HA ARG 62 11.084 -2.562 -43.225 522 HE ARG 62 HE ARG 62 15.509 -0.465 -43.560 523 HB2 ARG 62 HB2 ARG 62 13.345 -3.020 -42.256 524 HB3 ARG 62 HB3 ARG 62 13.355 -1.903 -43.614 525 HG2 ARG 62 HG2 ARG 62 13.682 -0.034 -42.184 526 HG3 ARG 62 HG3 ARG 62 13.388 -1.012 -40.744 527 HD2 ARG 62 HD2 ARG 62 15.684 -0.912 -40.749 528 HD3 ARG 62 HD3 ARG 62 15.407 -2.407 -41.642 529 HH11 ARG 62 HH11 ARG 62 17.629 -1.542 -41.018 530 HH12 ARG 62 HH12 ARG 62 19.078 -1.107 -41.863 531 HH21 ARG 62 HH21 ARG 62 17.409 0.113 -44.683 532 HH22 ARG 62 HH22 ARG 62 18.951 -0.164 -43.947 533 H LEU 63 H LEU 63 11.047 -0.416 -40.505 534 HA LEU 63 HA LEU 63 11.178 -2.206 -38.380 535 HG LEU 63 HG LEU 63 10.568 0.674 -36.209 536 HB2 LEU 63 HB2 LEU 63 10.843 0.465 -38.612 537 HB3 LEU 63 HB3 LEU 63 9.221 -0.019 -38.121 538 HD11 LEU 63 HD11 LEU 63 8.840 -1.145 -36.047 539 HD12 LEU 63 HD12 LEU 63 10.069 -1.151 -34.782 540 HD13 LEU 63 HD13 LEU 63 10.166 -2.306 -36.111 541 HD21 LEU 63 HD21 LEU 63 12.312 -1.672 -36.224 542 HD22 LEU 63 HD22 LEU 63 12.668 0.007 -35.819 543 HD23 LEU 63 HD23 LEU 63 12.662 -0.510 -37.505 544 H ASP 64 H ASP 64 8.646 -1.629 -40.667 545 HA ASP 64 HA ASP 64 6.475 -2.669 -39.185 546 HB2 ASP 64 HB2 ASP 64 6.553 -1.345 -41.460 547 HB3 ASP 64 HB3 ASP 64 6.607 -2.960 -42.161 548 H GLU 65 H GLU 65 6.850 -4.604 -38.211 549 HA GLU 65 HA GLU 65 7.118 -6.913 -39.991 550 HB2 GLU 65 HB2 GLU 65 8.791 -7.962 -38.633 551 HB3 GLU 65 HB3 GLU 65 9.367 -6.355 -39.051 552 HG2 GLU 65 HG2 GLU 65 8.336 -5.677 -36.767 553 HG3 GLU 65 HG3 GLU 65 8.433 -7.403 -36.421 554 H TRP 66 H TRP 66 7.001 -8.973 -38.344 555 HA TRP 66 HA TRP 66 4.457 -8.576 -36.933 556 HD1 TRP 66 HD1 TRP 66 5.719 -9.387 -40.311 557 HE1 TRP 66 HE1 TRP 66 3.867 -9.300 -42.097 558 HE3 TRP 66 HE3 TRP 66 1.883 -11.410 -37.603 559 HZ2 TRP 66 HZ2 TRP 66 1.142 -9.997 -42.327 560 HZ3 TRP 66 HZ3 TRP 66 -0.314 -11.665 -38.680 561 HH2 TRP 66 HH2 TRP 66 -0.676 -10.973 -40.993 562 HB2 TRP 66 HB2 TRP 66 5.751 -11.101 -37.984 563 HB3 TRP 66 HB3 TRP 66 4.214 -11.041 -37.125 564 H ILE 67 H ILE 67 4.194 -9.115 -34.812 565 HA ILE 67 HA ILE 67 6.324 -10.466 -33.372 566 HB ILE 67 HB ILE 67 6.514 -8.710 -31.662 567 HG12 ILE 67 HG12 ILE 67 5.063 -6.892 -33.585 568 HG13 ILE 67 HG13 ILE 67 4.253 -7.690 -32.242 569 HG21 ILE 67 HG21 ILE 67 7.973 -7.254 -32.884 570 HG22 ILE 67 HG22 ILE 67 8.100 -8.872 -33.574 571 HG23 ILE 67 HG23 ILE 67 7.157 -7.633 -34.401 572 HD11 ILE 67 HD11 ILE 67 5.743 -5.272 -32.252 573 HD12 ILE 67 HD12 ILE 67 4.854 -6.023 -30.928 574 HD13 ILE 67 HD13 ILE 67 6.548 -6.433 -31.197 575 H THR 68 H THR 68 5.718 -10.900 -31.096 576 HA THR 68 HA THR 68 2.817 -11.324 -30.898 577 HB THR 68 HB THR 68 3.367 -13.047 -29.200 578 HG1 THR 68 HG1 THR 68 5.552 -13.630 -28.934 579 HG21 THR 68 HG21 THR 68 3.391 -14.514 -30.878 580 HG22 THR 68 HG22 THR 68 5.054 -14.090 -31.283 581 HG23 THR 68 HG23 THR 68 3.715 -13.180 -31.984 582 H THR 69 H THR 69 2.155 -11.535 -28.445 583 HA THR 69 HA THR 69 2.191 -8.975 -27.346 584 HB THR 69 HB THR 69 0.498 -10.734 -26.821 585 HG1 THR 69 HG1 THR 69 1.120 -8.784 -25.429 586 HG21 THR 69 HG21 THR 69 2.189 -12.546 -26.418 587 HG22 THR 69 HG22 THR 69 0.943 -12.415 -25.178 588 HG23 THR 69 HG23 THR 69 2.557 -11.773 -24.876 589 H ASP 70 H ASP 70 4.471 -11.548 -27.076 590 HA ASP 70 HA ASP 70 5.692 -10.946 -24.636 591 HB2 ASP 70 HB2 ASP 70 6.556 -12.314 -27.141 592 HB3 ASP 70 HB3 ASP 70 7.796 -11.871 -25.972 593 H ARG 71 H ARG 71 5.747 -9.276 -27.647 594 HA ARG 71 HA ARG 71 7.996 -7.608 -26.750 595 HE ARG 71 HE ARG 71 9.484 -9.155 -26.799 596 HB2 ARG 71 HB2 ARG 71 6.737 -7.840 -29.490 597 HB3 ARG 71 HB3 ARG 71 8.110 -6.821 -29.081 598 HG2 ARG 71 HG2 ARG 71 8.225 -9.766 -28.593 599 HG3 ARG 71 HG3 ARG 71 8.512 -9.111 -30.207 600 HD2 ARG 71 HD2 ARG 71 10.647 -9.185 -29.327 601 HD3 ARG 71 HD3 ARG 71 10.164 -7.524 -28.985 602 HH11 ARG 71 HH11 ARG 71 12.277 -7.838 -28.407 603 HH12 ARG 71 HH12 ARG 71 13.250 -7.810 -26.974 604 HH21 ARG 71 HH21 ARG 71 10.756 -9.123 -24.906 605 HH22 ARG 71 HH22 ARG 71 12.384 -8.542 -24.983 606 H ILE 72 H ILE 72 4.624 -7.666 -27.050 607 HA ILE 72 HA ILE 72 4.417 -4.744 -27.140 608 HB ILE 72 HB ILE 72 2.241 -6.834 -27.287 609 HG12 ILE 72 HG12 ILE 72 3.310 -5.032 -29.467 610 HG13 ILE 72 HG13 ILE 72 3.804 -6.708 -29.251 611 HG21 ILE 72 HG21 ILE 72 2.135 -3.836 -27.580 612 HG22 ILE 72 HG22 ILE 72 0.811 -4.930 -27.978 613 HG23 ILE 72 HG23 ILE 72 1.383 -4.807 -26.314 614 HD11 ILE 72 HD11 ILE 72 2.166 -6.677 -30.950 615 HD12 ILE 72 HD12 ILE 72 1.390 -7.339 -29.512 616 HD13 ILE 72 HD13 ILE 72 1.087 -5.668 -29.987 617 H ASN 73 H ASN 73 3.483 -3.551 -25.504 618 HA ASN 73 HA ASN 73 3.484 -4.830 -22.889 619 HB2 ASN 73 HB2 ASN 73 4.576 -2.538 -23.537 620 HB3 ASN 73 HB3 ASN 73 2.945 -1.911 -23.315 621 HD21 ASN 73 HD21 ASN 73 4.019 -0.660 -21.623 622 HD22 ASN 73 HD22 ASN 73 4.192 -1.366 -20.055 623 H LEU 74 H LEU 74 1.494 -6.040 -23.485 624 HA LEU 74 HA LEU 74 -0.964 -4.502 -23.577 625 HG LEU 74 HG LEU 74 -3.004 -6.272 -23.265 626 HB2 LEU 74 HB2 LEU 74 -0.538 -6.609 -24.904 627 HB3 LEU 74 HB3 LEU 74 -0.673 -7.490 -23.384 628 HD11 LEU 74 HD11 LEU 74 -2.562 -6.433 -26.240 629 HD12 LEU 74 HD12 LEU 74 -2.547 -4.935 -25.311 630 HD13 LEU 74 HD13 LEU 74 -4.019 -5.902 -25.401 631 HD21 LEU 74 HD21 LEU 74 -3.017 -8.449 -25.259 632 HD22 LEU 74 HD22 LEU 74 -3.902 -8.290 -23.741 633 HD23 LEU 74 HD23 LEU 74 -2.212 -8.793 -23.727 634 H ASP 75 H ASP 75 -0.043 -3.711 -21.322 635 HA ASP 75 HA ASP 75 -1.610 -5.153 -19.312 636 HB2 ASP 75 HB2 ASP 75 0.923 -5.696 -19.224 637 HB3 ASP 75 HB3 ASP 75 1.097 -4.062 -18.588 638 H LYS 76 H LYS 76 -2.353 -2.856 -20.696 639 HA LYS 76 HA LYS 76 -1.732 -0.406 -19.589 640 HB2 LYS 76 HB2 LYS 76 -3.766 0.409 -20.498 641 HB3 LYS 76 HB3 LYS 76 -3.232 -0.875 -21.574 642 HG2 LYS 76 HG2 LYS 76 -4.792 -2.418 -20.393 643 HG3 LYS 76 HG3 LYS 76 -5.405 -1.025 -19.497 644 HD2 LYS 76 HD2 LYS 76 -6.102 0.034 -21.565 645 HD3 LYS 76 HD3 LYS 76 -5.410 -1.291 -22.504 646 HE2 LYS 76 HE2 LYS 76 -6.981 -2.845 -21.395 647 HE3 LYS 76 HE3 LYS 76 -7.706 -1.474 -20.556 648 HZ1 LYS 76 HZ1 LYS 76 -7.567 -1.053 -23.377 649 HZ2 LYS 76 HZ2 LYS 76 -8.901 -0.960 -22.340 650 HZ3 LYS 76 HZ3 LYS 76 -8.445 -2.449 -22.998 651 H GLU 77 H GLU 77 -3.237 0.953 -18.207 652 HA GLU 77 HA GLU 77 -3.290 0.020 -15.611 653 HB2 GLU 77 HB2 GLU 77 -4.552 1.955 -15.044 654 HB3 GLU 77 HB3 GLU 77 -3.503 2.413 -16.378 655 HG2 GLU 77 HG2 GLU 77 -5.652 1.712 -17.780 656 HG3 GLU 77 HG3 GLU 77 -6.447 2.164 -16.274 657 H VAL 78 H VAL 78 -4.693 -1.085 -14.355 658 HA VAL 78 HA VAL 78 -7.309 -1.804 -15.490 659 HB VAL 78 HB VAL 78 -7.013 -4.091 -14.469 660 HG11 VAL 78 HG11 VAL 78 -5.412 -4.839 -16.343 661 HG12 VAL 78 HG12 VAL 78 -6.917 -4.035 -16.796 662 HG13 VAL 78 HG13 VAL 78 -5.398 -3.138 -16.807 663 HG21 VAL 78 HG21 VAL 78 -5.172 -3.622 -12.974 664 HG22 VAL 78 HG22 VAL 78 -4.689 -4.859 -14.134 665 HG23 VAL 78 HG23 VAL 78 -4.135 -3.197 -14.335 666 H LEU 79 H LEU 79 -8.918 -2.389 -13.935 667 HA LEU 79 HA LEU 79 -8.590 -0.957 -11.430 668 HG LEU 79 HG LEU 79 -10.406 -0.010 -13.672 669 HB2 LEU 79 HB2 LEU 79 -10.943 -2.220 -12.806 670 HB3 LEU 79 HB3 LEU 79 -11.044 -1.572 -11.170 671 HD11 LEU 79 HD11 LEU 79 -12.715 -0.540 -13.659 672 HD12 LEU 79 HD12 LEU 79 -12.573 1.118 -13.077 673 HD13 LEU 79 HD13 LEU 79 -12.855 -0.196 -11.935 674 HD21 LEU 79 HD21 LEU 79 -10.044 0.572 -10.833 675 HD22 LEU 79 HD22 LEU 79 -10.998 1.783 -11.690 676 HD23 LEU 79 HD23 LEU 79 -9.376 1.379 -12.253 677 H TYR 80 H TYR 80 -7.240 -2.278 -10.215 678 HA TYR 80 HA TYR 80 -8.312 -4.930 -9.517 679 HD1 TYR 80 HD1 TYR 80 -6.669 -4.681 -12.136 680 HD2 TYR 80 HD2 TYR 80 -5.492 -7.236 -8.943 681 HE1 TYR 80 HE1 TYR 80 -6.511 -6.565 -13.709 682 HE2 TYR 80 HE2 TYR 80 -5.330 -9.127 -10.508 683 HH TYR 80 HH TYR 80 -6.680 -9.171 -13.482 684 HB2 TYR 80 HB2 TYR 80 -5.564 -3.869 -9.839 685 HB3 TYR 80 HB3 TYR 80 -5.809 -4.995 -8.508 686 HA PRO 81 HA PRO 81 -9.118 -2.415 -5.763 687 HB2 PRO 81 HB2 PRO 81 -11.349 -3.798 -5.068 688 HB3 PRO 81 HB3 PRO 81 -11.368 -2.464 -6.228 689 HG2 PRO 81 HG2 PRO 81 -11.333 -5.414 -6.735 690 HG3 PRO 81 HG3 PRO 81 -12.286 -4.152 -7.537 691 HD2 PRO 81 HD2 PRO 81 -10.039 -5.197 -8.629 692 HD3 PRO 81 HD3 PRO 81 -10.532 -3.511 -8.889 693 H LYS 82 H LYS 82 -7.171 -3.407 -4.904 694 HA LYS 82 HA LYS 82 -7.712 -5.139 -2.722 695 HB2 LYS 82 HB2 LYS 82 -7.203 -6.462 -5.136 696 HB3 LYS 82 HB3 LYS 82 -5.690 -6.547 -4.244 697 HG2 LYS 82 HG2 LYS 82 -7.986 -7.158 -2.579 698 HG3 LYS 82 HG3 LYS 82 -7.849 -8.235 -3.971 699 HD2 LYS 82 HD2 LYS 82 -5.375 -7.655 -2.437 700 HD3 LYS 82 HD3 LYS 82 -6.579 -8.700 -1.678 701 HE2 LYS 82 HE2 LYS 82 -5.757 -9.215 -4.501 702 HE3 LYS 82 HE3 LYS 82 -4.693 -9.713 -3.187 703 HZ1 LYS 82 HZ1 LYS 82 -6.077 -11.540 -3.670 704 HZ2 LYS 82 HZ2 LYS 82 -7.477 -10.590 -3.695 705 HZ3 LYS 82 HZ3 LYS 82 -6.679 -10.882 -2.233 706 H LEU 83 H LEU 83 -6.577 -3.986 -1.293 707 HA LEU 83 HA LEU 83 -4.360 -2.407 -1.760 708 HG LEU 83 HG LEU 83 -5.168 -0.912 -0.244 709 HB2 LEU 83 HB2 LEU 83 -5.486 -3.735 0.654 710 HB3 LEU 83 HB3 LEU 83 -3.894 -2.988 0.770 711 HD11 LEU 83 HD11 LEU 83 -7.459 -1.288 1.293 712 HD12 LEU 83 HD12 LEU 83 -7.290 -2.769 0.352 713 HD13 LEU 83 HD13 LEU 83 -7.356 -1.208 -0.466 714 HD21 LEU 83 HD21 LEU 83 -5.800 -0.338 2.198 715 HD22 LEU 83 HD22 LEU 83 -4.107 -0.622 1.796 716 HD23 LEU 83 HD23 LEU 83 -5.050 -1.887 2.584 717 H LYS 84 H LYS 84 -2.121 -2.698 -1.057 718 HA LYS 84 HA LYS 84 -1.116 -5.396 -0.811 719 HB2 LYS 84 HB2 LYS 84 -1.411 -4.984 -3.290 720 HB3 LYS 84 HB3 LYS 84 -0.190 -3.727 -3.150 721 HG2 LYS 84 HG2 LYS 84 1.203 -5.682 -2.058 722 HG3 LYS 84 HG3 LYS 84 0.095 -6.679 -3.005 723 HD2 LYS 84 HD2 LYS 84 1.743 -6.371 -4.556 724 HD3 LYS 84 HD3 LYS 84 0.751 -4.953 -4.905 725 HE2 LYS 84 HE2 LYS 84 2.219 -3.509 -3.810 726 HE3 LYS 84 HE3 LYS 84 2.985 -4.819 -2.912 727 HZ1 LYS 84 HZ1 LYS 84 4.523 -4.276 -4.543 728 HZ2 LYS 84 HZ2 LYS 84 3.350 -4.068 -5.743 729 HZ3 LYS 84 HZ3 LYS 84 3.739 -5.623 -5.202 730 H ALA 85 H ALA 85 0.875 -5.483 0.153 731 HA ALA 85 HA ALA 85 1.873 -2.969 1.226 732 HB1 ALA 85 HB1 ALA 85 1.841 -4.422 2.969 733 HB2 ALA 85 HB2 ALA 85 2.130 -5.830 1.947 734 HB3 ALA 85 HB3 ALA 85 3.468 -4.765 2.378 735 H THR 86 H THR 86 3.764 -2.028 0.698 736 HA THR 86 HA THR 86 5.156 -3.001 -1.638 737 HB THR 86 HB THR 86 6.561 -0.915 -1.299 738 HG1 THR 86 HG1 THR 86 5.777 0.578 0.216 739 HG21 THR 86 HG21 THR 86 4.693 0.621 -1.947 740 HG22 THR 86 HG22 THR 86 3.566 -0.688 -1.594 741 HG23 THR 86 HG23 THR 86 4.759 -0.873 -2.880 742 H ASP 87 H ASP 87 7.497 -3.208 -1.724 743 HA ASP 87 HA ASP 87 8.697 -4.004 0.843 744 HB2 ASP 87 HB2 ASP 87 8.040 -6.019 -0.403 745 HB3 ASP 87 HB3 ASP 87 8.973 -5.468 -1.792 746 H GLU 88 H GLU 88 10.972 -3.780 0.995 747 HA GLU 88 HA GLU 88 12.120 -1.967 -1.025 748 HB2 GLU 88 HB2 GLU 88 13.392 -0.898 0.721 749 HB3 GLU 88 HB3 GLU 88 11.695 -0.906 1.182 750 HG2 GLU 88 HG2 GLU 88 12.640 -1.540 3.148 751 HG3 GLU 88 HG3 GLU 88 12.379 -3.122 2.416 752 H ASP 89 H ASP 89 14.696 -1.937 -0.505 753 HA ASP 89 HA ASP 89 15.601 -4.729 -0.362 754 HB2 ASP 89 HB2 ASP 89 17.249 -4.108 -2.221 755 HB3 ASP 89 HB3 ASP 89 15.572 -4.363 -2.693
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