NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611838 | 2nas | 18471 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.311 1.025 -1.498 3 HB2 MET 1 2HB MET 1 3.189 -1.795 -0.856 4 HB3 MET 1 3HB MET 1 3.983 -0.688 -1.968 5 HG2 MET 1 2HG MET 1 5.210 0.105 -0.316 6 HG3 MET 1 3HG MET 1 3.752 0.618 0.531 7 HE1 MET 1 3HE MET 1 6.598 -2.060 0.269 8 HE2 MET 1 1HE MET 1 6.817 -0.672 1.336 9 HE3 MET 1 2HE MET 1 6.699 -2.296 2.015 10 H ILE 2 H ILE 2 0.067 0.953 -2.427 11 HA ILE 2 HA ILE 2 -0.084 -1.243 -4.376 12 HB ILE 2 HB ILE 2 -2.597 -1.075 -4.223 13 HG12 ILE 2 2HG1 ILE 2 -2.626 -0.224 -1.463 14 HG13 ILE 2 3HG1 ILE 2 -1.966 1.046 -2.488 15 HG21 ILE 2 1HG2 ILE 2 -2.703 -2.777 -2.679 16 HG22 ILE 2 2HG2 ILE 2 -0.988 -2.791 -3.088 17 HG23 ILE 2 3HG2 ILE 2 -1.533 -2.016 -1.600 18 HD11 ILE 2 3HD1 ILE 2 -4.178 1.564 -2.569 19 HD12 ILE 2 1HD1 ILE 2 -4.070 0.484 -3.960 20 HD13 ILE 2 2HD1 ILE 2 -4.693 -0.117 -2.422 21 HA PRO 3 HA PRO 3 -0.232 2.968 -6.374 22 HB2 PRO 3 2HB PRO 3 1.692 2.434 -8.214 23 HB3 PRO 3 3HB PRO 3 2.053 3.056 -6.600 24 HG2 PRO 3 2HG PRO 3 2.193 0.245 -7.621 25 HG3 PRO 3 3HG PRO 3 3.336 1.116 -6.583 26 HD2 PRO 3 2HD PRO 3 1.533 -0.650 -5.603 27 HD3 PRO 3 3HD PRO 3 2.071 0.772 -4.687 28 H SER 4 H SER 4 -1.333 3.445 -8.230 29 HA SER 4 HA SER 4 -2.755 3.113 -9.977 30 HB2 SER 4 2HB SER 4 -1.855 2.040 -11.831 31 HB3 SER 4 3HB SER 4 -0.406 2.375 -10.884 32 HG SER 4 HG SER 4 -0.081 0.312 -10.825 33 H PHE 5 H PHE 5 -3.295 1.706 -7.498 34 HA PHE 5 HA PHE 5 -4.605 0.052 -6.629 35 HB2 PHE 5 2HB PHE 5 -6.067 1.390 -8.404 36 HB3 PHE 5 3HB PHE 5 -6.081 -0.175 -9.210 37 HD1 PHE 5 HD1 PHE 5 -7.394 -1.965 -8.398 38 HD2 PHE 5 HD2 PHE 5 -7.002 1.609 -6.119 39 HE1 PHE 5 HE1 PHE 5 -9.216 -2.710 -6.922 40 HE2 PHE 5 HE2 PHE 5 -8.823 0.869 -4.639 41 HZ PHE 5 HZ PHE 5 -9.932 -1.294 -5.039 42 H ALA 6 H ALA 6 -3.011 -1.563 -6.501 43 HA ALA 6 HA ALA 6 -2.173 -3.657 -6.813 44 HB1 ALA 6 1HB ALA 6 -4.862 -3.762 -7.917 45 HB2 ALA 6 2HB ALA 6 -3.772 -4.937 -8.653 46 HB3 ALA 6 3HB ALA 6 -4.006 -4.926 -6.905 47 HA PRO 7 HA PRO 7 -0.105 -2.271 -10.691 48 HB2 PRO 7 2HB PRO 7 2.409 -2.586 -9.715 49 HB3 PRO 7 3HB PRO 7 1.458 -1.117 -9.464 50 HG2 PRO 7 2HG PRO 7 1.900 -3.426 -7.611 51 HG3 PRO 7 3HG PRO 7 1.910 -1.689 -7.256 52 HD2 PRO 7 2HD PRO 7 -0.219 -3.274 -6.719 53 HD3 PRO 7 3HD PRO 7 -0.390 -1.565 -7.171 54 H GLY 8 H GLY 8 0.293 -3.673 -12.287 55 HA2 GLY 8 2HA GLY 8 1.617 -5.531 -13.128 56 HA3 GLY 8 3HA GLY 8 1.374 -6.327 -11.580 57 H THR 9 H THR 9 -1.295 -4.681 -13.029 58 HA THR 9 HA THR 9 -2.573 -7.276 -13.522 59 HB THR 9 HB THR 9 -4.023 -4.641 -13.479 60 HG1 THR 9 HG1 THR 9 -4.239 -4.842 -11.267 61 HG21 THR 9 3HG2 THR 9 -5.924 -5.881 -13.335 62 HG22 THR 9 1HG2 THR 9 -5.152 -7.159 -12.398 63 HG23 THR 9 2HG2 THR 9 -4.914 -7.078 -14.144 64 H LEU 10 H LEU 10 -3.155 -7.907 -15.512 65 HA LEU 10 HA LEU 10 -2.523 -6.133 -17.743 66 HB2 LEU 10 2HB LEU 10 -1.636 -8.461 -17.646 67 HB3 LEU 10 3HB LEU 10 -3.292 -9.047 -17.794 68 HG LEU 10 HG LEU 10 -2.149 -7.244 -19.891 69 HD11 LEU 10 1HD1 LEU 10 -1.714 -9.602 -21.024 70 HD12 LEU 10 2HD1 LEU 10 -1.415 -10.064 -19.349 71 HD13 LEU 10 3HD1 LEU 10 -0.475 -8.767 -20.087 72 HD21 LEU 10 3HD2 LEU 10 -4.314 -9.318 -19.730 73 HD22 LEU 10 1HD2 LEU 10 -3.678 -8.750 -21.274 74 HD23 LEU 10 2HD2 LEU 10 -4.446 -7.613 -20.166 75 H VAL 11 H VAL 11 -4.083 -4.949 -18.605 76 HA VAL 11 HA VAL 11 -6.823 -6.038 -18.642 77 HB VAL 11 HB VAL 11 -7.680 -3.750 -18.515 78 HG11 VAL 11 1HG1 VAL 11 -5.772 -3.963 -16.228 79 HG12 VAL 11 2HG1 VAL 11 -7.484 -3.535 -16.229 80 HG13 VAL 11 3HG1 VAL 11 -6.993 -5.213 -16.464 81 HG21 VAL 11 3HG2 VAL 11 -4.863 -3.101 -18.907 82 HG22 VAL 11 1HG2 VAL 11 -6.304 -2.135 -19.224 83 HG23 VAL 11 2HG2 VAL 11 -5.616 -2.186 -17.601 84 H TRP 12 H TRP 12 -8.146 -4.536 -20.304 85 HA TRP 12 HA TRP 12 -6.597 -4.574 -22.811 86 HB2 TRP 12 2HB TRP 12 -9.391 -5.440 -22.179 87 HB3 TRP 12 3HB TRP 12 -9.025 -4.842 -23.795 88 HD1 TRP 12 HD1 TRP 12 -6.043 -6.580 -22.556 89 HE1 TRP 12 HE1 TRP 12 -5.909 -8.969 -23.504 90 HE3 TRP 12 HE3 TRP 12 -10.802 -6.999 -24.376 91 HZ2 TRP 12 HZ2 TRP 12 -7.597 -10.790 -24.847 92 HZ3 TRP 12 HZ3 TRP 12 -11.462 -9.097 -25.479 93 HH2 TRP 12 HH2 TRP 12 -9.892 -10.952 -25.709 94 H LEU 13 H LEU 13 -6.554 -2.777 -24.029 95 HA LEU 13 HA LEU 13 -8.227 -0.514 -23.161 96 HB2 LEU 13 2HB LEU 13 -5.591 -0.535 -23.049 97 HB3 LEU 13 3HB LEU 13 -5.745 -0.116 -24.754 98 HG LEU 13 HG LEU 13 -7.422 1.569 -23.107 99 HD11 LEU 13 1HD1 LEU 13 -5.602 1.011 -21.463 100 HD12 LEU 13 2HD1 LEU 13 -5.777 2.722 -21.851 101 HD13 LEU 13 3HD1 LEU 13 -4.469 1.784 -22.571 102 HD21 LEU 13 3HD2 LEU 13 -6.544 3.264 -24.444 103 HD22 LEU 13 1HD2 LEU 13 -6.521 1.850 -25.497 104 HD23 LEU 13 2HD2 LEU 13 -5.034 2.396 -24.722 105 H LYS 14 H LYS 14 -9.808 -0.039 -24.521 106 HA LYS 14 HA LYS 14 -9.464 -0.661 -27.375 107 HB2 LYS 14 2HB LYS 14 -11.402 -1.641 -25.984 108 HB3 LYS 14 3HB LYS 14 -12.085 -0.021 -26.044 109 HG2 LYS 14 2HG LYS 14 -11.253 -1.323 -28.588 110 HG3 LYS 14 3HG LYS 14 -12.752 -1.836 -27.809 111 HD2 LYS 14 2HD LYS 14 -12.423 1.069 -27.968 112 HD3 LYS 14 3HD LYS 14 -12.509 0.269 -29.539 113 HE2 LYS 14 2HE LYS 14 -14.628 -0.646 -29.069 114 HE3 LYS 14 3HE LYS 14 -14.489 -0.290 -27.348 115 HZ1 LYS 14 3HZ LYS 14 -15.837 1.401 -28.021 116 HZ2 LYS 14 1HZ LYS 14 -15.160 1.500 -29.569 117 HZ3 LYS 14 2HZ LYS 14 -14.336 2.150 -28.242 118 H GLN 15 H GLN 15 -8.661 1.088 -28.375 119 HA GLN 15 HA GLN 15 -9.196 3.761 -27.570 120 HB2 GLN 15 2HB GLN 15 -7.647 2.415 -29.668 121 HB3 GLN 15 3HB GLN 15 -8.298 3.975 -30.152 122 HG2 GLN 15 2HG GLN 15 -7.276 4.938 -28.076 123 HG3 GLN 15 3HG GLN 15 -6.471 3.388 -27.840 124 HE21 GLN 15 2HE2 GLN 15 -5.335 5.827 -30.925 125 HE22 GLN 15 1HE2 GLN 15 -6.928 5.928 -30.265 126 H ASP 16 H ASP 16 -10.177 5.411 -28.984 127 HA ASP 16 HA ASP 16 -12.828 4.733 -29.656 128 HB2 ASP 16 2HB ASP 16 -12.808 7.062 -30.737 129 HB3 ASP 16 3HB ASP 16 -12.474 6.969 -29.010 130 H ARG 17 H ARG 17 -10.100 5.669 -31.754 131 HA ARG 17 HA ARG 17 -11.569 4.699 -34.081 132 HB2 ARG 17 2HB ARG 17 -10.555 6.796 -34.476 133 HB3 ARG 17 3HB ARG 17 -9.040 6.294 -33.737 134 HG2 ARG 17 2HG ARG 17 -8.293 5.299 -35.617 135 HG3 ARG 17 3HG ARG 17 -9.901 4.751 -36.096 136 HD2 ARG 17 2HD ARG 17 -9.259 6.363 -37.697 137 HD3 ARG 17 3HD ARG 17 -10.420 7.164 -36.640 138 HE ARG 17 HE ARG 17 -7.849 7.651 -35.654 139 HH11 ARG 17 1HH1 ARG 17 -9.821 8.428 -38.416 140 HH12 ARG 17 2HH1 ARG 17 -9.039 9.946 -38.711 141 HH21 ARG 17 2HH2 ARG 17 -7.327 10.638 -37.355 142 HH22 ARG 17 1HH2 ARG 17 -6.812 9.647 -36.032 143 H PHE 18 H PHE 18 -8.945 3.818 -32.001 144 HA PHE 18 HA PHE 18 -8.026 1.736 -33.829 145 HB2 PHE 18 2HB PHE 18 -6.860 3.220 -31.628 146 HB3 PHE 18 3HB PHE 18 -6.634 1.487 -31.416 147 HD1 PHE 18 HD1 PHE 18 -4.444 1.010 -31.942 148 HD2 PHE 18 HD2 PHE 18 -6.672 3.596 -34.485 149 HE1 PHE 18 HE1 PHE 18 -2.565 1.061 -33.531 150 HE2 PHE 18 HE2 PHE 18 -4.798 3.650 -36.078 151 HZ PHE 18 HZ PHE 18 -2.741 2.381 -35.602 152 HA PRO 19 HA PRO 19 -10.179 -1.579 -31.927 153 HB2 PRO 19 2HB PRO 19 -8.350 -3.581 -32.060 154 HB3 PRO 19 3HB PRO 19 -9.202 -2.963 -33.480 155 HG2 PRO 19 2HG PRO 19 -6.444 -2.330 -32.502 156 HG3 PRO 19 3HG PRO 19 -7.001 -2.641 -34.157 157 HD2 PRO 19 2HD PRO 19 -6.562 -0.141 -33.212 158 HD3 PRO 19 3HD PRO 19 -7.814 -0.500 -34.419 159 H TRP 20 H TRP 20 -9.430 -3.622 -30.376 160 HA TRP 20 HA TRP 20 -8.483 -2.291 -27.936 161 HB2 TRP 20 2HB TRP 20 -9.536 -4.343 -26.819 162 HB3 TRP 20 3HB TRP 20 -10.633 -3.180 -27.559 163 HD1 TRP 20 HD1 TRP 20 -11.910 -3.945 -29.795 164 HE1 TRP 20 HE1 TRP 20 -12.410 -6.276 -30.763 165 HE3 TRP 20 HE3 TRP 20 -8.592 -6.695 -27.045 166 HZ2 TRP 20 HZ2 TRP 20 -11.518 -8.931 -30.407 167 HZ3 TRP 20 HZ3 TRP 20 -8.478 -9.124 -27.419 168 HH2 TRP 20 HH2 TRP 20 -9.912 -10.217 -29.066 169 H TRP 21 H TRP 21 -6.500 -2.717 -27.252 170 HA TRP 21 HA TRP 21 -5.312 -5.330 -27.917 171 HB2 TRP 21 2HB TRP 21 -4.032 -2.597 -27.939 172 HB3 TRP 21 3HB TRP 21 -3.091 -4.086 -27.906 173 HD1 TRP 21 HD1 TRP 21 -3.999 -1.661 -30.311 174 HE1 TRP 21 HE1 TRP 21 -4.217 -2.628 -32.686 175 HE3 TRP 21 HE3 TRP 21 -4.319 -6.627 -29.139 176 HZ2 TRP 21 HZ2 TRP 21 -4.489 -5.161 -33.902 177 HZ3 TRP 21 HZ3 TRP 21 -4.557 -8.257 -30.966 178 HH2 TRP 21 HH2 TRP 21 -4.641 -7.537 -33.298 179 HA PRO 22 HA PRO 22 -4.511 -5.899 -23.639 180 HB2 PRO 22 2HB PRO 22 -2.203 -7.326 -23.720 181 HB3 PRO 22 3HB PRO 22 -3.769 -8.005 -24.180 182 HG2 PRO 22 2HG PRO 22 -1.585 -6.930 -25.923 183 HG3 PRO 22 3HG PRO 22 -2.571 -8.389 -26.135 184 HD2 PRO 22 2HD PRO 22 -3.069 -6.086 -27.471 185 HD3 PRO 22 3HD PRO 22 -4.357 -7.209 -26.990 186 H GLY 23 H GLY 23 -3.288 -5.134 -21.905 187 HA2 GLY 23 2HA GLY 23 -0.763 -3.807 -22.340 188 HA3 GLY 23 3HA GLY 23 -2.093 -2.702 -22.023 189 H PHE 24 H PHE 24 0.430 -3.861 -20.547 190 HA PHE 24 HA PHE 24 -0.770 -4.862 -18.111 191 HB2 PHE 24 2HB PHE 24 1.651 -5.285 -19.273 192 HB3 PHE 24 3HB PHE 24 2.072 -4.067 -18.074 193 HD1 PHE 24 HD1 PHE 24 3.010 -4.990 -16.204 194 HD2 PHE 24 HD2 PHE 24 -0.196 -7.033 -18.117 195 HE1 PHE 24 HE1 PHE 24 3.085 -6.728 -14.465 196 HE2 PHE 24 HE2 PHE 24 -0.127 -8.775 -16.380 197 HZ PHE 24 HZ PHE 24 1.515 -8.624 -14.551 198 H VAL 25 H VAL 25 -1.330 -3.689 -16.395 199 HA VAL 25 HA VAL 25 -1.109 -0.830 -16.472 200 HB VAL 25 HB VAL 25 -2.130 -2.626 -14.267 201 HG11 VAL 25 1HG1 VAL 25 -1.853 -0.689 -13.113 202 HG12 VAL 25 2HG1 VAL 25 -1.921 0.315 -14.562 203 HG13 VAL 25 3HG1 VAL 25 -3.407 -0.323 -13.860 204 HG21 VAL 25 3HG2 VAL 25 -3.980 -2.888 -15.468 205 HG22 VAL 25 1HG2 VAL 25 -4.164 -1.139 -15.606 206 HG23 VAL 25 2HG2 VAL 25 -3.218 -2.023 -16.803 207 H MET 26 H MET 26 0.623 0.268 -15.855 208 HA MET 26 HA MET 26 2.121 -0.649 -13.505 209 HB2 MET 26 2HB MET 26 3.305 0.173 -16.159 210 HB3 MET 26 3HB MET 26 4.239 0.041 -14.675 211 HG2 MET 26 2HG MET 26 2.961 -2.381 -14.800 212 HG3 MET 26 3HG MET 26 3.305 -2.029 -16.492 213 HE1 MET 26 3HE MET 26 5.191 -4.703 -15.303 214 HE2 MET 26 1HE MET 26 5.803 -4.126 -13.753 215 HE3 MET 26 2HE MET 26 4.078 -4.034 -14.109 216 H ASP 27 H ASP 27 2.896 0.956 -12.189 217 HA ASP 27 HA ASP 27 1.853 3.627 -12.711 218 HB2 ASP 27 2HB ASP 27 2.115 4.054 -10.401 219 HB3 ASP 27 3HB ASP 27 1.552 2.388 -10.499 220 HA PRO 28 HA PRO 28 5.723 5.344 -13.899 221 HB2 PRO 28 2HB PRO 28 5.300 7.930 -13.191 222 HB3 PRO 28 3HB PRO 28 4.529 7.180 -14.594 223 HG2 PRO 28 2HG PRO 28 3.422 7.659 -11.854 224 HG3 PRO 28 3HG PRO 28 2.646 7.896 -13.431 225 HD2 PRO 28 2HD PRO 28 2.173 5.723 -11.886 226 HD3 PRO 28 3HD PRO 28 2.143 5.658 -13.660 227 H ASP 29 H ASP 29 4.498 6.175 -10.674 228 HA ASP 29 HA ASP 29 6.825 5.399 -9.327 229 HB2 ASP 29 2HB ASP 29 7.363 7.709 -10.615 230 HB3 ASP 29 3HB ASP 29 6.702 8.352 -9.114 231 H GLU 30 H GLU 30 4.172 4.934 -8.906 232 HA GLU 30 HA GLU 30 2.617 4.855 -7.247 233 HB2 GLU 30 2HB GLU 30 4.522 6.435 -5.528 234 HB3 GLU 30 3HB GLU 30 3.280 5.305 -5.011 235 HG2 GLU 30 2HG GLU 30 4.603 3.506 -6.185 236 HG3 GLU 30 3HG GLU 30 5.899 4.690 -6.340 237 H VAL 31 H VAL 31 1.266 6.242 -8.495 238 HA VAL 31 HA VAL 31 1.247 9.070 -7.729 239 HB VAL 31 HB VAL 31 -0.295 9.413 -9.583 240 HG11 VAL 31 1HG1 VAL 31 2.071 9.520 -10.073 241 HG12 VAL 31 2HG1 VAL 31 2.124 7.776 -10.338 242 HG13 VAL 31 3HG1 VAL 31 1.212 8.810 -11.439 243 HG21 VAL 31 3HG2 VAL 31 -1.602 7.466 -9.658 244 HG22 VAL 31 1HG2 VAL 31 -0.659 7.425 -11.147 245 HG23 VAL 31 2HG2 VAL 31 -0.189 6.417 -9.778 246 H ARG 32 H ARG 32 0.184 6.575 -6.224 247 HA ARG 32 HA ARG 32 -2.634 7.265 -5.972 248 HB2 ARG 32 2HB ARG 32 -0.922 5.054 -4.855 249 HB3 ARG 32 3HB ARG 32 -2.555 5.342 -4.269 250 HG2 ARG 32 2HG ARG 32 -2.054 4.999 -7.193 251 HG3 ARG 32 3HG ARG 32 -2.149 3.592 -6.132 252 HD2 ARG 32 2HD ARG 32 -4.370 4.029 -5.556 253 HD3 ARG 32 3HD ARG 32 -4.277 5.702 -6.105 254 HE ARG 32 HE ARG 32 -3.876 3.850 -8.237 255 HH11 ARG 32 1HH1 ARG 32 -6.307 5.379 -6.269 256 HH12 ARG 32 2HH1 ARG 32 -7.553 5.233 -7.465 257 HH21 ARG 32 2HH2 ARG 32 -7.097 4.249 -9.483 258 HH22 ARG 32 1HH2 ARG 32 -5.507 3.651 -9.819 259 H ASP 33 H ASP 33 0.377 7.607 -4.247 260 HA ASP 33 HA ASP 33 -1.038 8.804 -1.966 261 HB2 ASP 33 2HB ASP 33 0.854 6.929 -1.844 262 HB3 ASP 33 3HB ASP 33 1.904 8.342 -1.895 263 H ILE 34 H ILE 34 1.349 9.430 -4.457 264 HA ILE 34 HA ILE 34 1.428 12.252 -3.611 265 HB ILE 34 HB ILE 34 3.488 10.839 -5.303 266 HG12 ILE 34 2HG1 ILE 34 4.710 11.451 -2.919 267 HG13 ILE 34 3HG1 ILE 34 3.109 10.942 -2.393 268 HG21 ILE 34 1HG2 ILE 34 4.280 13.224 -3.843 269 HG22 ILE 34 2HG2 ILE 34 4.490 12.817 -5.545 270 HG23 ILE 34 3HG2 ILE 34 2.975 13.527 -4.989 271 HD11 ILE 34 3HD1 ILE 34 5.131 9.370 -3.957 272 HD12 ILE 34 1HD1 ILE 34 4.476 9.026 -2.356 273 HD13 ILE 34 2HD1 ILE 34 3.449 8.869 -3.782 274 H THR 35 H THR 35 0.079 13.409 -4.819 275 HA THR 35 HA THR 35 -0.222 12.739 -7.665 276 HB THR 35 HB THR 35 -2.227 14.294 -7.529 277 HG1 THR 35 HG1 THR 35 -2.646 15.215 -5.671 278 HG21 THR 35 3HG2 THR 35 -3.663 12.599 -6.501 279 HG22 THR 35 1HG2 THR 35 -2.249 11.824 -5.790 280 HG23 THR 35 2HG2 THR 35 -2.450 11.854 -7.542 281 H LEU 36 H LEU 36 1.275 13.822 -8.808 282 HA LEU 36 HA LEU 36 1.570 16.708 -8.292 283 HB2 LEU 36 2HB LEU 36 3.510 14.592 -8.762 284 HB3 LEU 36 3HB LEU 36 3.727 15.964 -9.846 285 HG LEU 36 HG LEU 36 3.713 17.400 -7.719 286 HD11 LEU 36 1HD1 LEU 36 3.414 14.755 -6.597 287 HD12 LEU 36 2HD1 LEU 36 3.272 16.333 -5.822 288 HD13 LEU 36 3HD1 LEU 36 4.852 15.565 -5.973 289 HD21 LEU 36 3HD2 LEU 36 6.069 15.565 -7.816 290 HD22 LEU 36 1HD2 LEU 36 6.015 17.319 -7.635 291 HD23 LEU 36 2HD2 LEU 36 5.692 16.585 -9.206 292 HA PRO 37 HA PRO 37 0.055 17.588 -12.318 293 HB2 PRO 37 2HB PRO 37 1.481 19.815 -12.934 294 HB3 PRO 37 3HB PRO 37 0.173 19.809 -11.744 295 HG2 PRO 37 2HG PRO 37 3.132 19.675 -11.308 296 HG3 PRO 37 3HG PRO 37 1.914 20.618 -10.431 297 HD2 PRO 37 2HD PRO 37 2.922 18.294 -9.475 298 HD3 PRO 37 3HD PRO 37 1.256 18.816 -9.152 299 H GLU 38 H GLU 38 0.458 16.756 -14.269 300 HA GLU 38 HA GLU 38 2.958 17.023 -15.604 301 HB2 GLU 38 2HB GLU 38 3.550 15.222 -14.026 302 HB3 GLU 38 3HB GLU 38 2.218 14.254 -14.642 303 HG2 GLU 38 2HG GLU 38 3.395 13.552 -16.391 304 HG3 GLU 38 3HG GLU 38 3.999 15.169 -16.745 305 H GLY 39 H GLY 39 0.357 14.575 -15.524 306 HA2 GLY 39 2HA GLY 39 -1.450 15.064 -17.257 307 HA3 GLY 39 3HA GLY 39 -0.104 15.137 -18.384 308 H SER 40 H SER 40 0.980 12.881 -16.436 309 HA SER 40 HA SER 40 -0.601 10.676 -17.555 310 HB2 SER 40 2HB SER 40 1.853 9.589 -17.746 311 HB3 SER 40 3HB SER 40 1.087 10.455 -19.077 312 HG SER 40 HG SER 40 3.264 11.143 -18.591 313 H ASP 41 H ASP 41 -1.385 9.716 -15.795 314 HA ASP 41 HA ASP 41 0.372 9.370 -13.464 315 HB2 ASP 41 2HB ASP 41 -2.569 9.663 -13.809 316 HB3 ASP 41 3HB ASP 41 -2.008 8.636 -12.493 317 H VAL 42 H VAL 42 -1.486 7.672 -15.870 318 HA VAL 42 HA VAL 42 -0.716 5.104 -14.648 319 HB VAL 42 HB VAL 42 -2.899 5.623 -16.672 320 HG11 VAL 42 1HG1 VAL 42 -2.108 3.125 -15.179 321 HG12 VAL 42 2HG1 VAL 42 -3.566 3.298 -16.158 322 HG13 VAL 42 3HG1 VAL 42 -1.976 3.405 -16.914 323 HG21 VAL 42 3HG2 VAL 42 -2.851 5.656 -13.733 324 HG22 VAL 42 1HG2 VAL 42 -3.979 6.409 -14.861 325 HG23 VAL 42 2HG2 VAL 42 -4.150 4.703 -14.450 326 H TRP 43 H TRP 43 0.474 3.654 -15.784 327 HA TRP 43 HA TRP 43 1.296 4.444 -18.502 328 HB2 TRP 43 2HB TRP 43 2.937 4.328 -16.320 329 HB3 TRP 43 3HB TRP 43 3.144 2.715 -16.998 330 HD1 TRP 43 HD1 TRP 43 2.795 3.877 -20.102 331 HE1 TRP 43 HE1 TRP 43 4.863 4.996 -21.150 332 HE3 TRP 43 HE3 TRP 43 5.392 4.946 -15.830 333 HZ2 TRP 43 HZ2 TRP 43 7.275 6.175 -20.280 334 HZ3 TRP 43 HZ3 TRP 43 7.572 6.071 -16.025 335 HH2 TRP 43 HH2 TRP 43 8.492 6.671 -18.205 336 H VAL 44 H VAL 44 0.256 3.133 -19.867 337 HA VAL 44 HA VAL 44 -0.133 0.320 -19.157 338 HB VAL 44 HB VAL 44 -1.241 1.833 -21.525 339 HG11 VAL 44 1HG1 VAL 44 -2.922 -0.138 -21.339 340 HG12 VAL 44 2HG1 VAL 44 -1.360 -0.402 -22.116 341 HG13 VAL 44 3HG1 VAL 44 -1.620 -0.934 -20.455 342 HG21 VAL 44 3HG2 VAL 44 -2.220 1.484 -18.734 343 HG22 VAL 44 1HG2 VAL 44 -2.330 2.882 -19.803 344 HG23 VAL 44 2HG2 VAL 44 -3.395 1.497 -20.048 345 H CYS 45 H CYS 45 1.360 -1.081 -19.789 346 HA CYS 45 HA CYS 45 3.013 -0.468 -22.126 347 HB2 CYS 45 2HB CYS 45 4.005 -1.127 -19.864 348 HB3 CYS 45 3HB CYS 45 3.413 -2.750 -20.195 349 HG CYS 45 HG CYS 45 5.081 -1.741 -22.816 350 H CYS 46 H CYS 46 1.849 -1.058 -23.894 351 HA CYS 46 HA CYS 46 0.325 -3.481 -24.002 352 HB2 CYS 46 2HB CYS 46 1.154 -1.531 -26.159 353 HB3 CYS 46 3HB CYS 46 0.076 -2.896 -26.424 354 HG CYS 46 HG CYS 46 -1.856 -1.158 -26.212 355 H LEU 47 H LEU 47 0.716 -4.933 -26.032 356 HA LEU 47 HA LEU 47 3.171 -6.281 -25.609 357 HB2 LEU 47 2HB LEU 47 2.303 -7.930 -26.888 358 HB3 LEU 47 3HB LEU 47 0.810 -7.059 -26.546 359 HG LEU 47 HG LEU 47 2.443 -6.855 -29.076 360 HD11 LEU 47 1HD1 LEU 47 -0.337 -7.934 -28.850 361 HD12 LEU 47 2HD1 LEU 47 1.058 -8.973 -28.561 362 HD13 LEU 47 3HD1 LEU 47 0.858 -8.180 -30.123 363 HD21 LEU 47 3HD2 LEU 47 1.437 -4.876 -29.296 364 HD22 LEU 47 1HD2 LEU 47 0.359 -5.178 -27.933 365 HD23 LEU 47 2HD2 LEU 47 -0.054 -5.787 -29.536 366 HA PRO 48 HA PRO 48 5.923 -4.427 -28.480 367 HB2 PRO 48 2HB PRO 48 7.292 -6.575 -29.420 368 HB3 PRO 48 3HB PRO 48 7.506 -5.940 -27.784 369 HG2 PRO 48 2HG PRO 48 5.875 -8.272 -28.714 370 HG3 PRO 48 3HG PRO 48 6.929 -8.139 -27.294 371 HD2 PRO 48 2HD PRO 48 4.236 -7.911 -27.135 372 HD3 PRO 48 3HD PRO 48 5.334 -7.026 -26.057 373 H ARG 49 H ARG 49 4.950 -3.549 -30.230 374 HA ARG 49 HA ARG 49 4.870 -5.087 -32.663 375 HB2 ARG 49 2HB ARG 49 2.540 -4.817 -33.158 376 HB3 ARG 49 3HB ARG 49 2.669 -5.584 -31.580 377 HG2 ARG 49 2HG ARG 49 1.092 -4.041 -31.083 378 HG3 ARG 49 3HG ARG 49 2.524 -3.057 -30.774 379 HD2 ARG 49 2HD ARG 49 1.542 -1.596 -32.169 380 HD3 ARG 49 3HD ARG 49 2.176 -2.650 -33.432 381 HE ARG 49 HE ARG 49 -0.429 -3.402 -32.460 382 HH11 ARG 49 1HH1 ARG 49 1.347 -1.469 -34.747 383 HH12 ARG 49 2HH1 ARG 49 0.033 -1.357 -35.871 384 HH21 ARG 49 2HH2 ARG 49 -1.965 -2.376 -35.406 385 HH22 ARG 49 1HH2 ARG 49 -2.167 -3.261 -33.932 386 H ASP 50 H ASP 50 4.285 -2.085 -30.948 387 HA ASP 50 HA ASP 50 4.783 -0.595 -33.439 388 HB2 ASP 50 2HB ASP 50 2.826 -0.260 -31.393 389 HB3 ASP 50 3HB ASP 50 3.894 1.140 -31.361 390 H SER 51 H SER 51 6.594 -1.819 -31.221 391 HA SER 51 HA SER 51 8.679 -1.342 -30.431 392 HB2 SER 51 2HB SER 51 8.688 0.056 -32.663 393 HB3 SER 51 3HB SER 51 8.604 1.430 -31.561 394 HG SER 51 HG SER 51 10.727 -0.029 -32.221 395 H LEU 52 H LEU 52 7.111 -1.281 -28.487 396 HA LEU 52 HA LEU 52 6.701 -0.459 -26.407 397 HB2 LEU 52 2HB LEU 52 9.084 0.950 -27.302 398 HB3 LEU 52 3HB LEU 52 8.136 1.886 -26.148 399 HG LEU 52 HG LEU 52 8.265 -0.025 -24.568 400 HD11 LEU 52 1HD1 LEU 52 9.150 -2.005 -25.094 401 HD12 LEU 52 2HD1 LEU 52 10.522 -1.273 -25.925 402 HD13 LEU 52 3HD1 LEU 52 8.990 -1.485 -26.772 403 HD21 LEU 52 3HD2 LEU 52 10.892 0.198 -24.360 404 HD22 LEU 52 1HD2 LEU 52 9.814 1.543 -23.986 405 HD23 LEU 52 2HD2 LEU 52 10.634 1.478 -25.546 406 H THR 53 H THR 53 4.563 0.021 -27.267 407 HA THR 53 HA THR 53 4.038 2.825 -27.891 408 HB THR 53 HB THR 53 1.738 0.998 -27.720 409 HG1 THR 53 HG1 THR 53 2.688 -0.549 -28.806 410 HG21 THR 53 3HG2 THR 53 1.521 1.986 -30.117 411 HG22 THR 53 1HG2 THR 53 2.801 3.079 -29.594 412 HG23 THR 53 2HG2 THR 53 1.268 3.038 -28.724 413 H LEU 54 H LEU 54 4.879 2.357 -25.263 414 HA LEU 54 HA LEU 54 2.926 1.947 -23.349 415 HB2 LEU 54 2HB LEU 54 5.094 4.017 -23.106 416 HB3 LEU 54 3HB LEU 54 4.331 3.092 -21.814 417 HG LEU 54 HG LEU 54 5.579 1.296 -23.665 418 HD11 LEU 54 1HD1 LEU 54 7.820 1.954 -23.641 419 HD12 LEU 54 2HD1 LEU 54 7.536 3.203 -22.429 420 HD13 LEU 54 3HD1 LEU 54 6.941 3.420 -24.074 421 HD21 LEU 54 3HD2 LEU 54 6.288 1.995 -20.820 422 HD22 LEU 54 1HD2 LEU 54 6.679 0.505 -21.678 423 HD23 LEU 54 2HD2 LEU 54 5.001 0.884 -21.290 424 H SER 55 H SER 55 1.099 2.962 -22.885 425 HA SER 55 HA SER 55 0.678 5.670 -23.922 426 HB2 SER 55 2HB SER 55 -1.025 3.333 -23.501 427 HB3 SER 55 3HB SER 55 -1.741 4.819 -22.877 428 HG SER 55 HG SER 55 -2.286 5.080 -24.898 429 H ALA 56 H ALA 56 0.782 7.355 -22.607 430 HA ALA 56 HA ALA 56 0.446 6.905 -19.713 431 HB1 ALA 56 1HB ALA 56 2.698 7.767 -20.845 432 HB2 ALA 56 2HB ALA 56 1.875 9.317 -20.666 433 HB3 ALA 56 3HB ALA 56 2.170 8.307 -19.251 434 H ALA 57 H ALA 57 -1.191 7.902 -18.737 435 HA ALA 57 HA ALA 57 -2.168 10.461 -19.664 436 HB1 ALA 57 1HB ALA 57 -3.706 9.554 -21.019 437 HB2 ALA 57 2HB ALA 57 -3.565 7.960 -20.277 438 HB3 ALA 57 3HB ALA 57 -4.573 9.197 -19.525 439 H ASN 58 H ASN 58 -3.226 11.604 -18.084 440 HA ASN 58 HA ASN 58 -3.468 10.263 -15.471 441 HB2 ASN 58 2HB ASN 58 -1.764 11.844 -15.186 442 HB3 ASN 58 3HB ASN 58 -2.563 13.030 -16.213 443 HD21 ASN 58 2HD2 ASN 58 -4.258 12.485 -12.533 444 HD22 ASN 58 1HD2 ASN 58 -3.817 11.129 -13.509 445 H SER 59 H SER 59 -5.565 9.804 -15.202 446 HA SER 59 HA SER 59 -7.827 10.032 -15.062 447 HB2 SER 59 2HB SER 59 -6.891 12.827 -14.427 448 HB3 SER 59 3HB SER 59 -8.597 12.384 -14.379 449 HG SER 59 HG SER 59 -6.547 11.731 -12.652 450 H GLU 60 H GLU 60 -6.610 10.275 -17.688 451 HA GLU 60 HA GLU 60 -8.622 11.974 -19.011 452 HB2 GLU 60 2HB GLU 60 -5.780 11.339 -19.757 453 HB3 GLU 60 3HB GLU 60 -6.938 11.867 -20.970 454 HG2 GLU 60 2HG GLU 60 -7.361 13.883 -19.521 455 HG3 GLU 60 3HG GLU 60 -5.970 13.379 -18.563 456 H ASP 61 H ASP 61 -7.130 8.844 -18.812 457 HA ASP 61 HA ASP 61 -8.548 7.846 -21.148 458 HB2 ASP 61 2HB ASP 61 -6.223 7.110 -20.668 459 HB3 ASP 61 3HB ASP 61 -6.796 6.355 -19.183 460 H GLU 62 H GLU 62 -10.654 7.475 -20.881 461 HA GLU 62 HA GLU 62 -11.494 5.653 -18.781 462 HB2 GLU 62 2HB GLU 62 -12.259 8.522 -18.889 463 HB3 GLU 62 3HB GLU 62 -13.530 7.370 -18.503 464 HG2 GLU 62 2HG GLU 62 -12.838 7.300 -16.410 465 HG3 GLU 62 3HG GLU 62 -11.267 6.703 -16.942 466 H GLY 63 H GLY 63 -11.309 5.959 -21.819 467 HA2 GLY 63 2HA GLY 63 -13.958 6.007 -22.836 468 HA3 GLY 63 3HA GLY 63 -12.543 5.382 -23.671 469 H GLN 64 H GLN 64 -12.171 3.208 -23.729 470 HA GLN 64 HA GLN 64 -14.139 1.506 -22.346 471 HB2 GLN 64 2HB GLN 64 -13.301 1.580 -25.189 472 HB3 GLN 64 3HB GLN 64 -13.519 -0.013 -24.477 473 HG2 GLN 64 2HG GLN 64 -15.576 2.182 -24.581 474 HG3 GLN 64 3HG GLN 64 -15.542 0.731 -25.582 475 HE21 GLN 64 2HE2 GLN 64 -17.464 0.661 -22.146 476 HE22 GLN 64 1HE2 GLN 64 -17.004 2.077 -23.022 477 H ILE 65 H ILE 65 -13.289 0.043 -21.028 478 HA ILE 65 HA ILE 65 -10.662 -1.093 -21.617 479 HB ILE 65 HB ILE 65 -10.113 0.741 -20.147 480 HG12 ILE 65 2HG1 ILE 65 -10.026 -1.469 -18.178 481 HG13 ILE 65 3HG1 ILE 65 -9.349 -1.825 -19.763 482 HG21 ILE 65 1HG2 ILE 65 -11.090 1.048 -17.977 483 HG22 ILE 65 2HG2 ILE 65 -12.386 0.979 -19.170 484 HG23 ILE 65 3HG2 ILE 65 -12.049 -0.421 -18.151 485 HD11 ILE 65 3HD1 ILE 65 -7.691 -0.213 -19.549 486 HD12 ILE 65 1HD1 ILE 65 -8.545 0.630 -18.257 487 HD13 ILE 65 2HD1 ILE 65 -7.791 -0.933 -17.942 488 H ARG 66 H ARG 66 -10.365 -3.162 -20.860 489 HA ARG 66 HA ARG 66 -12.616 -4.356 -19.381 490 HB2 ARG 66 2HB ARG 66 -11.609 -5.008 -22.010 491 HB3 ARG 66 3HB ARG 66 -11.460 -6.390 -20.932 492 HG2 ARG 66 2HG ARG 66 -14.029 -4.869 -21.122 493 HG3 ARG 66 3HG ARG 66 -13.614 -6.108 -22.308 494 HD2 ARG 66 2HD ARG 66 -13.551 -7.800 -20.665 495 HD3 ARG 66 3HD ARG 66 -13.543 -6.627 -19.349 496 HE ARG 66 HE ARG 66 -15.828 -7.679 -20.688 497 HH11 ARG 66 1HH1 ARG 66 -14.578 -4.851 -19.087 498 HH12 ARG 66 2HH1 ARG 66 -16.139 -4.267 -18.617 499 HH21 ARG 66 2HH2 ARG 66 -18.023 -5.444 -19.179 500 HH22 ARG 66 1HH2 ARG 66 -17.890 -6.919 -20.075 501 H TYR 67 H TYR 67 -12.122 -5.920 -17.864 502 HA TYR 67 HA TYR 67 -9.373 -5.891 -16.926 503 HB2 TYR 67 2HB TYR 67 -11.875 -7.091 -15.722 504 HB3 TYR 67 3HB TYR 67 -10.296 -7.064 -14.944 505 HD1 TYR 67 HD1 TYR 67 -9.238 -4.765 -14.506 506 HD2 TYR 67 HD2 TYR 67 -13.350 -5.299 -15.457 507 HE1 TYR 67 HE1 TYR 67 -9.739 -2.554 -13.554 508 HE2 TYR 67 HE2 TYR 67 -13.863 -3.088 -14.508 509 HH TYR 67 HH TYR 67 -11.966 -1.469 -12.493 510 H PHE 68 H PHE 68 -7.955 -7.406 -17.441 511 HA PHE 68 HA PHE 68 -8.957 -10.043 -18.291 512 HB2 PHE 68 2HB PHE 68 -7.501 -8.356 -19.810 513 HB3 PHE 68 3HB PHE 68 -6.200 -9.238 -19.019 514 HD1 PHE 68 HD1 PHE 68 -5.468 -11.222 -19.931 515 HD2 PHE 68 HD2 PHE 68 -9.378 -9.825 -20.870 516 HE1 PHE 68 HE1 PHE 68 -5.737 -13.064 -21.540 517 HE2 PHE 68 HE2 PHE 68 -9.653 -11.665 -22.479 518 HZ PHE 68 HZ PHE 68 -7.832 -13.288 -22.816 519 H LEU 69 H LEU 69 -8.020 -11.890 -17.475 520 HA LEU 69 HA LEU 69 -5.659 -12.024 -15.979 521 HB2 LEU 69 2HB LEU 69 -7.933 -11.016 -14.541 522 HB3 LEU 69 3HB LEU 69 -7.427 -12.563 -13.866 523 HG LEU 69 HG LEU 69 -5.499 -10.294 -14.287 524 HD11 LEU 69 1HD1 LEU 69 -7.476 -9.667 -12.828 525 HD12 LEU 69 2HD1 LEU 69 -5.878 -9.516 -12.100 526 HD13 LEU 69 3HD1 LEU 69 -6.902 -10.894 -11.699 527 HD21 LEU 69 3HD2 LEU 69 -5.087 -12.924 -13.680 528 HD22 LEU 69 1HD2 LEU 69 -5.155 -12.183 -12.081 529 HD23 LEU 69 2HD2 LEU 69 -3.991 -11.602 -13.272 530 HA PRO 70 HA PRO 70 -8.170 -16.082 -15.266 531 HB2 PRO 70 2HB PRO 70 -10.776 -16.098 -16.027 532 HB3 PRO 70 3HB PRO 70 -10.250 -15.610 -14.412 533 HG2 PRO 70 2HG PRO 70 -10.974 -13.905 -16.764 534 HG3 PRO 70 3HG PRO 70 -11.406 -13.698 -15.056 535 HD2 PRO 70 2HD PRO 70 -9.411 -12.297 -16.234 536 HD3 PRO 70 3HD PRO 70 -9.366 -12.767 -14.523 537 H ASP 71 H ASP 71 -8.395 -14.115 -18.058 538 HA ASP 71 HA ASP 71 -8.390 -14.535 -20.300 539 HB2 ASP 71 2HB ASP 71 -7.146 -17.205 -19.743 540 HB3 ASP 71 3HB ASP 71 -6.769 -16.044 -21.013 541 H ARG 72 H ARG 72 -10.748 -15.361 -18.874 542 HA ARG 72 HA ARG 72 -11.688 -17.432 -20.735 543 HB2 ARG 72 2HB ARG 72 -12.883 -18.588 -19.039 544 HB3 ARG 72 3HB ARG 72 -11.254 -18.354 -18.421 545 HG2 ARG 72 2HG ARG 72 -12.156 -17.494 -16.592 546 HG3 ARG 72 3HG ARG 72 -12.680 -16.118 -17.565 547 HD2 ARG 72 2HD ARG 72 -14.827 -16.862 -17.707 548 HD3 ARG 72 3HD ARG 72 -14.355 -18.560 -17.653 549 HE ARG 72 HE ARG 72 -15.053 -16.893 -15.433 550 HH11 ARG 72 1HH1 ARG 72 -13.181 -19.657 -16.421 551 HH12 ARG 72 2HH1 ARG 72 -13.166 -20.374 -14.844 552 HH21 ARG 72 2HH2 ARG 72 -14.225 -19.333 -13.100 553 HH22 ARG 72 1HH2 ARG 72 -15.041 -17.827 -13.352 554 H ASP 73 H ASP 73 -11.884 -14.436 -20.517 555 HA ASP 73 HA ASP 73 -14.757 -14.071 -20.120 556 HB2 ASP 73 2HB ASP 73 -13.016 -12.462 -19.187 557 HB3 ASP 73 3HB ASP 73 -12.748 -11.941 -20.848 558 H GLU 74 H GLU 74 -13.857 -15.641 -22.349 559 HA GLU 74 HA GLU 74 -14.254 -15.915 -24.572 560 HB2 GLU 74 2HB GLU 74 -16.165 -13.711 -23.870 561 HB3 GLU 74 3HB GLU 74 -16.002 -14.244 -25.537 562 HG2 GLU 74 2HG GLU 74 -16.556 -16.539 -24.823 563 HG3 GLU 74 3HG GLU 74 -16.810 -15.938 -23.186 564 H GLY 75 H GLY 75 -11.929 -14.560 -23.976 565 HA2 GLY 75 2HA GLY 75 -11.676 -12.869 -26.361 566 HA3 GLY 75 3HA GLY 75 -11.143 -12.218 -24.819 567 H MET 76 H MET 76 -10.082 -14.667 -23.778 568 HA MET 76 HA MET 76 -7.453 -14.522 -24.572 569 HB2 MET 76 2HB MET 76 -8.004 -15.634 -22.533 570 HB3 MET 76 3HB MET 76 -8.993 -16.821 -23.372 571 HG2 MET 76 2HG MET 76 -6.157 -16.684 -24.168 572 HG3 MET 76 3HG MET 76 -6.493 -17.290 -22.548 573 HE1 MET 76 3HE MET 76 -5.531 -20.293 -24.503 574 HE2 MET 76 1HE MET 76 -5.742 -19.274 -25.928 575 HE3 MET 76 2HE MET 76 -4.965 -18.622 -24.485 576 H MET 77 H MET 77 -10.071 -16.323 -26.015 577 HA MET 77 HA MET 77 -8.599 -18.122 -27.576 578 HB2 MET 77 2HB MET 77 -10.621 -18.193 -29.026 579 HB3 MET 77 3HB MET 77 -10.977 -18.399 -27.316 580 HG2 MET 77 2HG MET 77 -11.630 -16.029 -27.193 581 HG3 MET 77 3HG MET 77 -11.339 -15.883 -28.925 582 HE1 MET 77 3HE MET 77 -14.659 -16.326 -30.262 583 HE2 MET 77 1HE MET 77 -14.198 -15.024 -29.164 584 HE3 MET 77 2HE MET 77 -13.026 -15.660 -30.318 585 H GLU 78 H GLU 78 -9.583 -14.784 -28.179 586 HA GLU 78 HA GLU 78 -8.328 -14.811 -30.805 587 HB2 GLU 78 2HB GLU 78 -9.786 -12.625 -29.311 588 HB3 GLU 78 3HB GLU 78 -9.148 -12.466 -30.942 589 HG2 GLU 78 2HG GLU 78 -10.627 -14.623 -31.336 590 HG3 GLU 78 3HG GLU 78 -11.512 -13.960 -29.964 591 H GLU 79 H GLU 79 -7.566 -13.993 -27.574 592 HA GLU 79 HA GLU 79 -5.313 -12.310 -28.411 593 HB2 GLU 79 2HB GLU 79 -7.102 -12.048 -26.316 594 HB3 GLU 79 3HB GLU 79 -5.662 -12.689 -25.538 595 HG2 GLU 79 2HG GLU 79 -5.501 -10.345 -25.414 596 HG3 GLU 79 3HG GLU 79 -4.365 -10.855 -26.662 597 H GLY 80 H GLY 80 -5.593 -15.344 -28.542 598 HA2 GLY 80 2HA GLY 80 -2.901 -15.903 -27.669 599 HA3 GLY 80 3HA GLY 80 -4.129 -16.751 -26.741 600 H LYS 81 H LYS 81 -5.968 -17.199 -28.854 601 HA LYS 81 HA LYS 81 -4.529 -19.326 -30.261 602 HB2 LYS 81 2HB LYS 81 -7.052 -19.183 -28.997 603 HB3 LYS 81 3HB LYS 81 -7.367 -19.368 -30.717 604 HG2 LYS 81 2HG LYS 81 -5.674 -21.294 -30.615 605 HG3 LYS 81 3HG LYS 81 -5.903 -21.210 -28.866 606 HD2 LYS 81 2HD LYS 81 -8.479 -21.165 -29.893 607 HD3 LYS 81 3HD LYS 81 -7.628 -22.327 -30.914 608 HE2 LYS 81 2HE LYS 81 -6.869 -23.512 -28.899 609 HE3 LYS 81 3HE LYS 81 -7.756 -22.363 -27.899 610 HZ1 LYS 81 3HZ LYS 81 -9.490 -23.418 -29.842 611 HZ2 LYS 81 1HZ LYS 81 -9.574 -23.572 -28.159 612 HZ3 LYS 81 2HZ LYS 81 -8.708 -24.704 -29.069 613 H LEU 82 H LEU 82 -4.725 -16.341 -30.952 614 HA LEU 82 HA LEU 82 -5.552 -16.738 -33.752 615 HB2 LEU 82 2HB LEU 82 -6.632 -14.948 -31.898 616 HB3 LEU 82 3HB LEU 82 -5.599 -13.971 -32.939 617 HG LEU 82 HG LEU 82 -7.617 -15.832 -34.134 618 HD11 LEU 82 1HD1 LEU 82 -8.121 -13.253 -32.738 619 HD12 LEU 82 2HD1 LEU 82 -9.121 -14.702 -32.832 620 HD13 LEU 82 3HD1 LEU 82 -9.017 -13.612 -34.215 621 HD21 LEU 82 3HD2 LEU 82 -7.483 -13.491 -35.576 622 HD22 LEU 82 1HD2 LEU 82 -6.627 -14.988 -35.947 623 HD23 LEU 82 2HD2 LEU 82 -5.823 -13.719 -35.022 624 H ASP 83 H ASP 83 -3.678 -14.457 -31.744 625 HA ASP 83 HA ASP 83 -1.592 -14.503 -33.827 626 HB2 ASP 83 2HB ASP 83 -1.881 -12.229 -31.894 627 HB3 ASP 83 3HB ASP 83 -1.166 -12.238 -33.504 628 H ALA 84 H ALA 84 0.321 -15.283 -33.246 629 HA ALA 84 HA ALA 84 0.849 -16.429 -30.771 630 HB1 ALA 84 1HB ALA 84 3.134 -15.446 -32.402 631 HB2 ALA 84 2HB ALA 84 2.894 -17.006 -31.616 632 HB3 ALA 84 3HB ALA 84 2.040 -16.633 -33.113 633 H SER 85 H SER 85 1.340 -13.160 -31.886 634 HA SER 85 HA SER 85 3.157 -12.314 -29.900 635 HB2 SER 85 2HB SER 85 2.441 -11.131 -32.094 636 HB3 SER 85 3HB SER 85 1.110 -10.486 -31.135 637 HG SER 85 HG SER 85 2.710 -9.656 -29.683 638 H CYS 86 H CYS 86 -0.364 -12.430 -30.023 639 HA CYS 86 HA CYS 86 -0.798 -11.013 -27.601 640 HB2 CYS 86 2HB CYS 86 -2.573 -12.973 -29.071 641 HB3 CYS 86 3HB CYS 86 -3.094 -11.952 -27.736 642 HG CYS 86 HG CYS 86 -4.138 -10.635 -29.827 643 H ALA 87 H ALA 87 -0.644 -14.465 -28.398 644 HA ALA 87 HA ALA 87 -1.242 -15.438 -25.828 645 HB1 ALA 87 1HB ALA 87 0.547 -17.214 -27.174 646 HB2 ALA 87 2HB ALA 87 -1.190 -17.374 -26.910 647 HB3 ALA 87 3HB ALA 87 -0.588 -16.534 -28.339 648 H VAL 88 H VAL 88 1.812 -14.549 -27.363 649 HA VAL 88 HA VAL 88 3.479 -15.483 -25.256 650 HB VAL 88 HB VAL 88 4.008 -13.447 -27.423 651 HG11 VAL 88 1HG1 VAL 88 5.667 -14.417 -25.174 652 HG12 VAL 88 2HG1 VAL 88 6.454 -14.287 -26.748 653 HG13 VAL 88 3HG1 VAL 88 5.694 -12.870 -26.021 654 HG21 VAL 88 3HG2 VAL 88 4.480 -15.156 -28.779 655 HG22 VAL 88 1HG2 VAL 88 5.433 -15.972 -27.539 656 HG23 VAL 88 2HG2 VAL 88 3.684 -16.189 -27.592 657 H ALA 89 H ALA 89 2.086 -12.329 -26.059 658 HA ALA 89 HA ALA 89 3.382 -10.826 -24.075 659 HB1 ALA 89 1HB ALA 89 1.151 -9.422 -24.332 660 HB2 ALA 89 2HB ALA 89 2.381 -9.456 -25.596 661 HB3 ALA 89 3HB ALA 89 0.946 -10.471 -25.735 662 H ILE 90 H ILE 90 0.267 -12.529 -24.035 663 HA ILE 90 HA ILE 90 -0.441 -11.753 -21.403 664 HB ILE 90 HB ILE 90 -1.359 -14.128 -23.027 665 HG12 ILE 90 2HG1 ILE 90 -2.736 -11.484 -22.522 666 HG13 ILE 90 3HG1 ILE 90 -1.809 -11.846 -23.975 667 HG21 ILE 90 1HG2 ILE 90 -2.030 -14.782 -20.950 668 HG22 ILE 90 2HG2 ILE 90 -2.101 -13.132 -20.332 669 HG23 ILE 90 3HG2 ILE 90 -3.389 -13.740 -21.372 670 HD11 ILE 90 3HD1 ILE 90 -3.855 -12.378 -24.752 671 HD12 ILE 90 1HD1 ILE 90 -3.474 -13.929 -24.005 672 HD13 ILE 90 2HD1 ILE 90 -4.487 -12.764 -23.152 673 H GLU 91 H GLU 91 1.016 -14.722 -22.711 674 HA GLU 91 HA GLU 91 1.202 -16.153 -20.330 675 HB2 GLU 91 2HB GLU 91 2.761 -16.192 -22.889 676 HB3 GLU 91 3HB GLU 91 3.283 -17.182 -21.533 677 HG2 GLU 91 2HG GLU 91 1.116 -18.294 -21.498 678 HG3 GLU 91 3HG GLU 91 0.576 -17.292 -22.844 679 H GLU 92 H GLU 92 3.321 -13.693 -21.687 680 HA GLU 92 HA GLU 92 5.406 -14.040 -19.771 681 HB2 GLU 92 2HB GLU 92 5.352 -12.835 -22.142 682 HB3 GLU 92 3HB GLU 92 5.010 -11.426 -21.147 683 HG2 GLU 92 2HG GLU 92 7.112 -11.280 -20.430 684 HG3 GLU 92 3HG GLU 92 7.235 -13.017 -20.151 685 H ALA 93 H ALA 93 2.713 -11.756 -20.099 686 HA ALA 93 HA ALA 93 3.277 -10.118 -17.920 687 HB1 ALA 93 1HB ALA 93 1.118 -10.497 -19.729 688 HB2 ALA 93 2HB ALA 93 0.463 -10.405 -18.093 689 HB3 ALA 93 3HB ALA 93 1.475 -9.100 -18.713 690 H ILE 94 H ILE 94 1.456 -13.154 -18.063 691 HA ILE 94 HA ILE 94 0.786 -13.117 -15.277 692 HB ILE 94 HB ILE 94 -0.027 -15.396 -15.623 693 HG12 ILE 94 2HG1 ILE 94 1.178 -15.096 -18.382 694 HG13 ILE 94 3HG1 ILE 94 1.697 -16.221 -17.131 695 HG21 ILE 94 1HG2 ILE 94 -1.894 -14.718 -16.697 696 HG22 ILE 94 2HG2 ILE 94 -1.113 -13.140 -16.601 697 HG23 ILE 94 3HG2 ILE 94 -1.000 -14.091 -18.082 698 HD11 ILE 94 3HD1 ILE 94 -0.618 -17.223 -17.266 699 HD12 ILE 94 1HD1 ILE 94 -0.839 -16.263 -18.729 700 HD13 ILE 94 2HD1 ILE 94 0.437 -17.480 -18.656 701 H GLN 95 H GLN 95 3.326 -14.535 -17.241 702 HA GLN 95 HA GLN 95 4.368 -16.301 -15.305 703 HB2 GLN 95 2HB GLN 95 4.930 -16.462 -17.686 704 HB3 GLN 95 3HB GLN 95 5.776 -14.923 -17.599 705 HG2 GLN 95 2HG GLN 95 7.462 -15.834 -16.198 706 HG3 GLN 95 3HG GLN 95 6.550 -17.325 -15.969 707 HE21 GLN 95 2HE2 GLN 95 9.242 -17.191 -18.808 708 HE22 GLN 95 1HE2 GLN 95 9.173 -16.193 -17.400 709 H LEU 96 H LEU 96 4.786 -12.882 -15.861 710 HA LEU 96 HA LEU 96 6.992 -12.693 -13.982 711 HB2 LEU 96 2HB LEU 96 5.487 -10.618 -15.563 712 HB3 LEU 96 3HB LEU 96 6.810 -10.245 -14.461 713 HG LEU 96 HG LEU 96 7.224 -12.138 -16.745 714 HD11 LEU 96 1HD1 LEU 96 6.420 -9.452 -17.048 715 HD12 LEU 96 2HD1 LEU 96 7.024 -10.557 -18.282 716 HD13 LEU 96 3HD1 LEU 96 8.147 -9.522 -17.400 717 HD21 LEU 96 3HD2 LEU 96 9.411 -11.934 -16.258 718 HD22 LEU 96 1HD2 LEU 96 8.817 -11.414 -14.680 719 HD23 LEU 96 2HD2 LEU 96 9.277 -10.214 -15.889 720 H TYR 97 H TYR 97 3.591 -11.742 -14.195 721 HA TYR 97 HA TYR 97 3.418 -10.329 -11.788 722 HB2 TYR 97 2HB TYR 97 1.666 -10.352 -13.552 723 HB3 TYR 97 3HB TYR 97 1.254 -11.999 -13.086 724 HD1 TYR 97 HD1 TYR 97 -0.795 -12.027 -12.030 725 HD2 TYR 97 HD2 TYR 97 1.931 -8.889 -11.122 726 HE1 TYR 97 HE1 TYR 97 -2.362 -11.162 -10.343 727 HE2 TYR 97 HE2 TYR 97 0.372 -8.016 -9.431 728 HH TYR 97 HH TYR 97 -1.471 -8.740 -8.078 729 H GLU 98 H GLU 98 3.080 -13.777 -12.476 730 HA GLU 98 HA GLU 98 2.498 -14.390 -9.703 731 HB2 GLU 98 2HB GLU 98 2.175 -15.710 -12.221 732 HB3 GLU 98 3HB GLU 98 3.116 -16.747 -11.159 733 HG2 GLU 98 2HG GLU 98 0.907 -17.373 -10.781 734 HG3 GLU 98 3HG GLU 98 1.307 -16.330 -9.418 735 H GLU 99 H GLU 99 5.212 -13.469 -11.144 736 HA GLU 99 HA GLU 99 6.922 -15.384 -9.704 737 HB2 GLU 99 2HB GLU 99 7.210 -13.941 -12.264 738 HB3 GLU 99 3HB GLU 99 8.658 -14.002 -11.269 739 HG2 GLU 99 2HG GLU 99 7.055 -16.392 -12.148 740 HG3 GLU 99 3HG GLU 99 8.551 -15.832 -12.894 741 H GLN 100 H GLN 100 5.948 -12.082 -9.962 742 HA GLN 100 HA GLN 100 8.054 -11.254 -8.088 743 HB2 GLN 100 2HB GLN 100 6.341 -9.765 -10.047 744 HB3 GLN 100 3HB GLN 100 7.059 -8.916 -8.685 745 HG2 GLN 100 2HG GLN 100 8.776 -10.605 -10.443 746 HG3 GLN 100 3HG GLN 100 8.283 -8.998 -10.975 747 HE21 GLN 100 2HE2 GLN 100 11.520 -8.639 -9.298 748 HE22 GLN 100 1HE2 GLN 100 10.896 -9.431 -10.701 749 H LEU 101 H LEU 101 4.606 -11.591 -8.483 750 HA LEU 101 HA LEU 101 3.963 -10.180 -6.053 751 HB2 LEU 101 2HB LEU 101 2.437 -10.238 -7.987 752 HB3 LEU 101 3HB LEU 101 2.248 -11.976 -7.763 753 HG LEU 101 HG LEU 101 1.430 -11.241 -5.368 754 HD11 LEU 101 1HD1 LEU 101 1.383 -8.750 -6.967 755 HD12 LEU 101 2HD1 LEU 101 1.587 -8.983 -5.232 756 HD13 LEU 101 3HD1 LEU 101 -0.019 -9.088 -5.952 757 HD21 LEU 101 3HD2 LEU 101 0.182 -11.864 -7.849 758 HD22 LEU 101 1HD2 LEU 101 -0.792 -10.651 -7.018 759 HD23 LEU 101 2HD2 LEU 101 -0.398 -12.170 -6.212 760 H LYS 102 H LYS 102 4.728 -13.419 -6.978 761 HA LYS 102 HA LYS 102 3.701 -14.541 -4.491 762 HB2 LYS 102 2HB LYS 102 3.322 -15.922 -6.390 763 HB3 LYS 102 3HB LYS 102 4.986 -15.754 -6.934 764 HG2 LYS 102 2HG LYS 102 4.556 -16.966 -4.269 765 HG3 LYS 102 3HG LYS 102 4.094 -17.920 -5.681 766 HD2 LYS 102 2HD LYS 102 6.707 -16.618 -5.916 767 HD3 LYS 102 3HD LYS 102 6.606 -17.804 -4.612 768 HE2 LYS 102 2HE LYS 102 5.770 -18.340 -7.458 769 HE3 LYS 102 3HE LYS 102 7.360 -18.732 -6.806 770 HZ1 LYS 102 3HZ LYS 102 6.216 -20.696 -6.548 771 HZ2 LYS 102 1HZ LYS 102 4.751 -19.937 -6.173 772 HZ3 LYS 102 2HZ LYS 102 5.995 -19.986 -5.028 773 H ALA 103 H ALA 103 6.673 -13.470 -5.905 774 HA ALA 103 HA ALA 103 8.427 -14.873 -4.142 775 HB1 ALA 103 1HB ALA 103 8.674 -12.935 -6.304 776 HB2 ALA 103 2HB ALA 103 9.852 -12.694 -5.013 777 HB3 ALA 103 3HB ALA 103 9.748 -14.252 -5.833 778 H GLN 104 H GLN 104 6.651 -11.892 -3.985 779 HA GLN 104 HA GLN 104 8.059 -11.144 -1.517 780 HB2 GLN 104 2HB GLN 104 6.107 -9.419 -3.028 781 HB3 GLN 104 3HB GLN 104 7.301 -8.921 -1.836 782 HG2 GLN 104 2HG GLN 104 7.954 -10.043 -4.550 783 HG3 GLN 104 3HG GLN 104 7.906 -8.327 -4.152 784 HE21 GLN 104 2HE2 GLN 104 10.825 -8.524 -2.052 785 HE22 GLN 104 1HE2 GLN 104 9.230 -7.862 -2.054 786 H ALA 105 H ALA 105 5.701 -13.098 -2.158 787 HA ALA 105 HA ALA 105 3.952 -12.118 0.005 788 HB1 ALA 105 1HB ALA 105 2.766 -12.094 -2.111 789 HB2 ALA 105 2HB ALA 105 3.180 -13.786 -2.386 790 HB3 ALA 105 3HB ALA 105 2.107 -13.346 -1.058 791 H GLY 106 H GLY 106 6.394 -13.863 0.036 792 HA2 GLY 106 2HA GLY 106 6.360 -15.441 2.026 793 HA3 GLY 106 3HA GLY 106 5.167 -16.331 1.092 794 H GLY 107 H GLY 107 8.174 -14.783 0.010 795 HA2 GLY 107 2HA GLY 107 8.904 -17.030 -1.572 796 HA3 GLY 107 3HA GLY 107 9.917 -15.636 -1.225 797 H THR 108 H THR 108 9.656 -18.899 -0.855 798 HA THR 108 HA THR 108 10.886 -20.441 0.286 799 HB THR 108 HB THR 108 12.506 -18.310 1.628 800 HG1 THR 108 HG1 THR 108 13.028 -19.124 -1.037 801 HG21 THR 108 3HG2 THR 108 14.233 -20.126 0.621 802 HG22 THR 108 1HG2 THR 108 12.804 -21.137 0.832 803 HG23 THR 108 2HG2 THR 108 13.482 -20.268 2.210 804 H ASN 109 H ASN 109 8.640 -20.300 1.431 805 HA ASN 109 HA ASN 109 7.425 -20.469 3.348 806 HB2 ASN 109 2HB ASN 109 10.198 -20.997 4.428 807 HB3 ASN 109 3HB ASN 109 8.734 -21.185 5.390 808 HD21 ASN 109 2HD2 ASN 109 9.643 -23.856 2.445 809 HD22 ASN 109 1HD2 ASN 109 10.380 -22.294 2.486 810 H GLU 110 H GLU 110 8.135 -17.840 2.553 811 HA GLU 110 HA GLU 110 8.008 -15.699 3.311 812 HB2 GLU 110 2HB GLU 110 6.231 -16.884 4.786 813 HB3 GLU 110 3HB GLU 110 7.421 -16.727 6.070 814 HG2 GLU 110 2HG GLU 110 6.728 -14.668 6.448 815 HG3 GLU 110 3HG GLU 110 7.215 -14.208 4.818 Start of MODEL 2 1 H1 MET 1 H MET 1 2.803 0.118 0.597 2 HA MET 1 HA MET 1 3.727 0.402 -1.777 3 HB2 MET 1 2HB MET 1 4.833 -1.827 -1.773 4 HB3 MET 1 3HB MET 1 4.944 -0.989 -0.231 5 HG2 MET 1 2HG MET 1 2.603 -2.586 -0.193 6 HG3 MET 1 3HG MET 1 3.936 -3.578 -0.778 7 HE1 MET 1 3HE MET 1 5.018 -5.056 0.855 8 HE2 MET 1 1HE MET 1 6.262 -3.838 0.574 9 HE3 MET 1 2HE MET 1 5.943 -4.410 2.211 10 H ILE 2 H ILE 2 1.064 0.417 -2.372 11 HA ILE 2 HA ILE 2 0.906 -1.662 -4.444 12 HB ILE 2 HB ILE 2 -1.603 -1.654 -4.101 13 HG12 ILE 2 2HG1 ILE 2 -1.284 -0.944 -1.269 14 HG13 ILE 2 3HG1 ILE 2 -1.073 0.412 -2.371 15 HG21 ILE 2 1HG2 ILE 2 -0.591 -3.622 -3.456 16 HG22 ILE 2 2HG2 ILE 2 0.370 -2.841 -2.202 17 HG23 ILE 2 3HG2 ILE 2 -1.355 -3.109 -1.952 18 HD11 ILE 2 3HD1 ILE 2 -3.433 -1.377 -2.684 19 HD12 ILE 2 1HD1 ILE 2 -3.421 -0.154 -1.414 20 HD13 ILE 2 2HD1 ILE 2 -3.245 0.326 -3.103 21 HA PRO 3 HA PRO 3 0.366 2.619 -6.181 22 HB2 PRO 3 2HB PRO 3 2.101 2.260 -8.237 23 HB3 PRO 3 3HB PRO 3 2.610 2.810 -6.636 24 HG2 PRO 3 2HG PRO 3 2.735 0.065 -7.825 25 HG3 PRO 3 3HG PRO 3 3.952 0.925 -6.863 26 HD2 PRO 3 2HD PRO 3 2.323 -0.962 -5.804 27 HD3 PRO 3 3HD PRO 3 2.907 0.430 -4.869 28 H SER 4 H SER 4 -1.053 3.103 -7.773 29 HA SER 4 HA SER 4 -2.593 2.829 -9.424 30 HB2 SER 4 2HB SER 4 -0.209 1.869 -10.454 31 HB3 SER 4 3HB SER 4 -1.343 0.557 -10.773 32 HG SER 4 HG SER 4 -1.125 2.957 -11.986 33 H PHE 5 H PHE 5 -2.834 1.311 -6.967 34 HA PHE 5 HA PHE 5 -4.000 -0.415 -6.035 35 HB2 PHE 5 2HB PHE 5 -5.558 0.675 -8.236 36 HB3 PHE 5 3HB PHE 5 -5.971 -1.006 -7.912 37 HD1 PHE 5 HD1 PHE 5 -5.316 2.143 -6.016 38 HD2 PHE 5 HD2 PHE 5 -7.646 -1.398 -6.401 39 HE1 PHE 5 HE1 PHE 5 -6.709 2.857 -4.118 40 HE2 PHE 5 HE2 PHE 5 -9.044 -0.689 -4.505 41 HZ PHE 5 HZ PHE 5 -8.577 1.441 -3.361 42 H ALA 6 H ALA 6 -2.329 -1.968 -6.182 43 HA ALA 6 HA ALA 6 -1.481 -4.021 -6.679 44 HB1 ALA 6 1HB ALA 6 -3.868 -4.612 -8.384 45 HB2 ALA 6 2HB ALA 6 -2.935 -5.697 -7.352 46 HB3 ALA 6 3HB ALA 6 -4.019 -4.508 -6.630 47 HA PRO 7 HA PRO 7 0.024 -2.428 -10.735 48 HB2 PRO 7 2HB PRO 7 2.651 -2.685 -10.101 49 HB3 PRO 7 3HB PRO 7 1.695 -1.260 -9.675 50 HG2 PRO 7 2HG PRO 7 2.446 -3.614 -7.984 51 HG3 PRO 7 3HG PRO 7 2.447 -1.890 -7.566 52 HD2 PRO 7 2HD PRO 7 0.457 -3.568 -6.822 53 HD3 PRO 7 3HD PRO 7 0.175 -1.853 -7.182 54 H GLY 8 H GLY 8 0.263 -3.757 -12.422 55 HA2 GLY 8 2HA GLY 8 1.587 -5.547 -13.451 56 HA3 GLY 8 3HA GLY 8 1.438 -6.424 -11.935 57 H THR 9 H THR 9 -1.341 -4.728 -13.027 58 HA THR 9 HA THR 9 -2.689 -7.269 -13.506 59 HB THR 9 HB THR 9 -4.109 -4.638 -13.621 60 HG1 THR 9 HG1 THR 9 -3.204 -5.946 -11.254 61 HG21 THR 9 3HG2 THR 9 -4.751 -7.474 -12.942 62 HG22 THR 9 1HG2 THR 9 -5.610 -6.348 -13.992 63 HG23 THR 9 2HG2 THR 9 -5.725 -6.182 -12.240 64 H LEU 10 H LEU 10 -3.378 -7.953 -15.447 65 HA LEU 10 HA LEU 10 -2.699 -6.330 -17.775 66 HB2 LEU 10 2HB LEU 10 -2.102 -8.821 -17.422 67 HB3 LEU 10 3HB LEU 10 -3.779 -9.122 -17.873 68 HG LEU 10 HG LEU 10 -1.799 -7.665 -19.619 69 HD11 LEU 10 1HD1 LEU 10 -2.684 -10.543 -19.761 70 HD12 LEU 10 2HD1 LEU 10 -1.097 -9.985 -19.232 71 HD13 LEU 10 3HD1 LEU 10 -1.617 -9.716 -20.896 72 HD21 LEU 10 3HD2 LEU 10 -3.543 -8.384 -21.354 73 HD22 LEU 10 1HD2 LEU 10 -3.948 -7.040 -20.286 74 HD23 LEU 10 2HD2 LEU 10 -4.613 -8.644 -19.976 75 H VAL 11 H VAL 11 -4.189 -5.113 -18.711 76 HA VAL 11 HA VAL 11 -6.995 -6.013 -18.643 77 HB VAL 11 HB VAL 11 -7.659 -3.609 -18.627 78 HG11 VAL 11 1HG1 VAL 11 -6.115 -3.785 -16.152 79 HG12 VAL 11 2HG1 VAL 11 -7.860 -3.702 -16.398 80 HG13 VAL 11 3HG1 VAL 11 -7.022 -5.249 -16.533 81 HG21 VAL 11 3HG2 VAL 11 -4.703 -3.239 -18.228 82 HG22 VAL 11 1HG2 VAL 11 -5.751 -2.486 -19.430 83 HG23 VAL 11 2HG2 VAL 11 -5.882 -2.025 -17.732 84 H TRP 12 H TRP 12 -8.242 -4.421 -20.301 85 HA TRP 12 HA TRP 12 -6.741 -4.600 -22.831 86 HB2 TRP 12 2HB TRP 12 -9.243 -5.753 -22.083 87 HB3 TRP 12 3HB TRP 12 -9.543 -4.549 -23.334 88 HD1 TRP 12 HD1 TRP 12 -7.146 -4.930 -25.248 89 HE1 TRP 12 HE1 TRP 12 -6.822 -7.117 -26.566 90 HE3 TRP 12 HE3 TRP 12 -9.921 -8.066 -22.315 91 HZ2 TRP 12 HZ2 TRP 12 -7.635 -9.814 -26.387 92 HZ3 TRP 12 HZ3 TRP 12 -10.098 -10.434 -22.958 93 HH2 TRP 12 HH2 TRP 12 -8.978 -11.288 -24.953 94 H LEU 13 H LEU 13 -6.604 -2.825 -24.076 95 HA LEU 13 HA LEU 13 -8.104 -0.445 -23.205 96 HB2 LEU 13 2HB LEU 13 -5.428 -0.718 -23.259 97 HB3 LEU 13 3HB LEU 13 -5.704 -0.119 -24.893 98 HG LEU 13 HG LEU 13 -7.149 1.653 -23.405 99 HD11 LEU 13 1HD1 LEU 13 -6.028 2.245 -21.446 100 HD12 LEU 13 2HD1 LEU 13 -4.618 1.264 -21.845 101 HD13 LEU 13 3HD1 LEU 13 -6.127 0.486 -21.369 102 HD21 LEU 13 3HD2 LEU 13 -5.881 2.861 -24.776 103 HD22 LEU 13 1HD2 LEU 13 -4.660 1.591 -24.873 104 HD23 LEU 13 2HD2 LEU 13 -4.607 2.767 -23.559 105 H LYS 14 H LYS 14 -9.801 -0.187 -24.512 106 HA LYS 14 HA LYS 14 -9.448 -0.640 -27.395 107 HB2 LYS 14 2HB LYS 14 -11.274 -1.861 -26.105 108 HB3 LYS 14 3HB LYS 14 -12.069 -0.301 -25.942 109 HG2 LYS 14 2HG LYS 14 -12.284 -0.106 -28.331 110 HG3 LYS 14 3HG LYS 14 -11.354 -1.587 -28.569 111 HD2 LYS 14 2HD LYS 14 -13.572 -2.277 -28.799 112 HD3 LYS 14 3HD LYS 14 -13.167 -2.714 -27.137 113 HE2 LYS 14 2HE LYS 14 -14.788 -1.413 -26.348 114 HE3 LYS 14 3HE LYS 14 -14.162 -0.023 -27.234 115 HZ1 LYS 14 3HZ LYS 14 -16.518 -0.799 -27.747 116 HZ2 LYS 14 1HZ LYS 14 -15.796 -2.086 -28.575 117 HZ3 LYS 14 2HZ LYS 14 -15.498 -0.494 -29.062 118 H GLN 15 H GLN 15 -8.933 1.163 -28.449 119 HA GLN 15 HA GLN 15 -9.525 3.772 -27.479 120 HB2 GLN 15 2HB GLN 15 -7.946 2.608 -29.570 121 HB3 GLN 15 3HB GLN 15 -8.921 3.909 -30.241 122 HG2 GLN 15 2HG GLN 15 -7.673 4.632 -27.720 123 HG3 GLN 15 3HG GLN 15 -6.504 4.175 -28.958 124 HE21 GLN 15 2HE2 GLN 15 -6.823 7.101 -30.766 125 HE22 GLN 15 1HE2 GLN 15 -6.038 5.580 -30.532 126 H ASP 16 H ASP 16 -10.543 5.401 -29.105 127 HA ASP 16 HA ASP 16 -13.282 4.781 -29.313 128 HB2 ASP 16 2HB ASP 16 -11.542 7.054 -30.086 129 HB3 ASP 16 3HB ASP 16 -13.084 6.927 -30.928 130 H ARG 17 H ARG 17 -10.912 5.374 -31.915 131 HA ARG 17 HA ARG 17 -12.688 3.981 -33.782 132 HB2 ARG 17 2HB ARG 17 -12.018 6.069 -34.656 133 HB3 ARG 17 3HB ARG 17 -10.349 5.838 -34.151 134 HG2 ARG 17 2HG ARG 17 -9.814 4.664 -35.991 135 HG3 ARG 17 3HG ARG 17 -11.377 3.846 -36.053 136 HD2 ARG 17 2HD ARG 17 -11.462 5.179 -37.935 137 HD3 ARG 17 3HD ARG 17 -12.275 6.186 -36.738 138 HE ARG 17 HE ARG 17 -10.580 7.705 -36.933 139 HH11 ARG 17 1HH1 ARG 17 -9.508 4.651 -38.216 140 HH12 ARG 17 2HH1 ARG 17 -8.014 5.283 -38.824 141 HH21 ARG 17 2HH2 ARG 17 -7.507 7.500 -38.545 142 HH22 ARG 17 1HH2 ARG 17 -8.616 8.548 -37.728 143 H PHE 18 H PHE 18 -9.612 3.712 -32.190 144 HA PHE 18 HA PHE 18 -8.654 1.578 -33.876 145 HB2 PHE 18 2HB PHE 18 -7.586 3.246 -31.759 146 HB3 PHE 18 3HB PHE 18 -7.170 1.554 -31.507 147 HD1 PHE 18 HD1 PHE 18 -4.993 1.206 -32.144 148 HD2 PHE 18 HD2 PHE 18 -7.493 3.641 -34.581 149 HE1 PHE 18 HE1 PHE 18 -3.181 1.407 -33.796 150 HE2 PHE 18 HE2 PHE 18 -5.686 3.844 -36.238 151 HZ PHE 18 HZ PHE 18 -3.527 2.726 -35.847 152 HA PRO 19 HA PRO 19 -10.388 -1.881 -31.809 153 HB2 PRO 19 2HB PRO 19 -8.366 -3.687 -31.959 154 HB3 PRO 19 3HB PRO 19 -9.328 -3.203 -33.361 155 HG2 PRO 19 2HG PRO 19 -6.618 -2.261 -32.506 156 HG3 PRO 19 3HG PRO 19 -7.197 -2.676 -34.129 157 HD2 PRO 19 2HD PRO 19 -6.988 -0.118 -33.268 158 HD3 PRO 19 3HD PRO 19 -8.237 -0.640 -34.417 159 H TRP 20 H TRP 20 -9.459 -3.764 -30.208 160 HA TRP 20 HA TRP 20 -8.453 -2.280 -27.877 161 HB2 TRP 20 2HB TRP 20 -9.438 -4.207 -26.570 162 HB3 TRP 20 3HB TRP 20 -10.605 -3.204 -27.427 163 HD1 TRP 20 HD1 TRP 20 -9.234 -6.734 -27.282 164 HE1 TRP 20 HE1 TRP 20 -10.621 -8.243 -28.839 165 HE3 TRP 20 HE3 TRP 20 -11.983 -3.139 -29.660 166 HZ2 TRP 20 HZ2 TRP 20 -12.615 -7.948 -30.815 167 HZ3 TRP 20 HZ3 TRP 20 -13.608 -3.836 -31.371 168 HH2 TRP 20 HH2 TRP 20 -13.915 -6.191 -31.936 169 H TRP 21 H TRP 21 -6.486 -2.707 -27.131 170 HA TRP 21 HA TRP 21 -5.240 -5.278 -27.856 171 HB2 TRP 21 2HB TRP 21 -4.364 -2.599 -28.426 172 HB3 TRP 21 3HB TRP 21 -3.194 -3.391 -27.375 173 HD1 TRP 21 HD1 TRP 21 -1.401 -4.704 -28.629 174 HE1 TRP 21 HE1 TRP 21 -1.198 -5.814 -30.943 175 HE3 TRP 21 HE3 TRP 21 -6.129 -3.833 -30.366 176 HZ2 TRP 21 HZ2 TRP 21 -2.826 -6.261 -33.205 177 HZ3 TRP 21 HZ3 TRP 21 -6.726 -4.633 -32.615 178 HH2 TRP 21 HH2 TRP 21 -5.107 -5.822 -34.003 179 HA PRO 22 HA PRO 22 -4.545 -5.949 -23.570 180 HB2 PRO 22 2HB PRO 22 -2.316 -7.495 -23.677 181 HB3 PRO 22 3HB PRO 22 -3.916 -8.083 -24.144 182 HG2 PRO 22 2HG PRO 22 -1.680 -7.100 -25.874 183 HG3 PRO 22 3HG PRO 22 -2.743 -8.501 -26.107 184 HD2 PRO 22 2HD PRO 22 -3.119 -6.156 -27.407 185 HD3 PRO 22 3HD PRO 22 -4.465 -7.215 -26.940 186 H GLY 23 H GLY 23 -3.423 -5.095 -21.865 187 HA2 GLY 23 2HA GLY 23 -0.764 -4.011 -22.214 188 HA3 GLY 23 3HA GLY 23 -2.016 -2.795 -22.008 189 H PHE 24 H PHE 24 0.336 -3.992 -20.351 190 HA PHE 24 HA PHE 24 -1.042 -4.843 -17.949 191 HB2 PHE 24 2HB PHE 24 1.881 -4.198 -18.022 192 HB3 PHE 24 3HB PHE 24 1.038 -5.449 -17.114 193 HD1 PHE 24 HD1 PHE 24 -0.123 -7.287 -18.611 194 HD2 PHE 24 HD2 PHE 24 3.120 -4.823 -19.849 195 HE1 PHE 24 HE1 PHE 24 0.471 -8.940 -20.333 196 HE2 PHE 24 HE2 PHE 24 3.719 -6.472 -21.573 197 HZ PHE 24 HZ PHE 24 2.394 -8.534 -21.818 198 H VAL 25 H VAL 25 -1.744 -3.517 -16.420 199 HA VAL 25 HA VAL 25 -1.282 -0.699 -16.562 200 HB VAL 25 HB VAL 25 -2.647 -2.351 -14.432 201 HG11 VAL 25 1HG1 VAL 25 -2.246 -0.445 -13.250 202 HG12 VAL 25 2HG1 VAL 25 -2.143 0.563 -14.695 203 HG13 VAL 25 3HG1 VAL 25 -3.717 0.050 -14.086 204 HG21 VAL 25 3HG2 VAL 25 -4.675 -1.877 -15.490 205 HG22 VAL 25 1HG2 VAL 25 -3.972 -0.582 -16.459 206 HG23 VAL 25 2HG2 VAL 25 -3.585 -2.264 -16.821 207 H MET 26 H MET 26 0.472 0.297 -15.840 208 HA MET 26 HA MET 26 1.683 -0.611 -13.326 209 HB2 MET 26 2HB MET 26 3.231 0.117 -15.820 210 HB3 MET 26 3HB MET 26 3.932 -0.270 -14.255 211 HG2 MET 26 2HG MET 26 2.301 -2.435 -14.823 212 HG3 MET 26 3HG MET 26 3.039 -2.023 -16.369 213 HE1 MET 26 3HE MET 26 5.813 -1.050 -15.978 214 HE2 MET 26 1HE MET 26 6.797 -2.503 -15.799 215 HE3 MET 26 2HE MET 26 5.498 -2.459 -16.992 216 H ASP 27 H ASP 27 2.454 0.995 -12.011 217 HA ASP 27 HA ASP 27 1.625 3.696 -12.697 218 HB2 ASP 27 2HB ASP 27 1.752 2.200 -10.310 219 HB3 ASP 27 3HB ASP 27 2.921 3.505 -10.132 220 HA PRO 28 HA PRO 28 5.617 5.187 -13.769 221 HB2 PRO 28 2HB PRO 28 5.339 7.799 -13.084 222 HB3 PRO 28 3HB PRO 28 4.556 7.089 -14.500 223 HG2 PRO 28 2HG PRO 28 3.418 7.653 -11.790 224 HG3 PRO 28 3HG PRO 28 2.695 7.927 -13.386 225 HD2 PRO 28 2HD PRO 28 2.052 5.797 -11.842 226 HD3 PRO 28 3HD PRO 28 2.060 5.724 -13.616 227 H ASP 29 H ASP 29 4.375 6.139 -10.583 228 HA ASP 29 HA ASP 29 6.604 5.215 -9.166 229 HB2 ASP 29 2HB ASP 29 7.343 7.460 -10.473 230 HB3 ASP 29 3HB ASP 29 6.701 8.170 -8.994 231 H GLU 30 H GLU 30 3.926 4.942 -8.793 232 HA GLU 30 HA GLU 30 2.327 5.010 -7.176 233 HB2 GLU 30 2HB GLU 30 4.300 6.476 -5.433 234 HB3 GLU 30 3HB GLU 30 2.969 5.442 -4.932 235 HG2 GLU 30 2HG GLU 30 4.428 3.709 -6.409 236 HG3 GLU 30 3HG GLU 30 5.695 4.749 -5.760 237 H VAL 31 H VAL 31 1.100 6.467 -8.464 238 HA VAL 31 HA VAL 31 1.289 9.306 -7.777 239 HB VAL 31 HB VAL 31 -0.237 9.703 -9.635 240 HG11 VAL 31 1HG1 VAL 31 2.123 9.622 -10.144 241 HG12 VAL 31 2HG1 VAL 31 2.052 7.870 -10.338 242 HG13 VAL 31 3HG1 VAL 31 1.208 8.920 -11.477 243 HG21 VAL 31 3HG2 VAL 31 -0.767 7.704 -11.130 244 HG22 VAL 31 1HG2 VAL 31 -0.351 6.704 -9.739 245 HG23 VAL 31 2HG2 VAL 31 -1.684 7.852 -9.631 246 H ARG 32 H ARG 32 0.003 6.889 -6.253 247 HA ARG 32 HA ARG 32 -2.743 7.782 -6.006 248 HB2 ARG 32 2HB ARG 32 -2.505 5.440 -5.870 249 HB3 ARG 32 3HB ARG 32 -1.143 5.558 -4.763 250 HG2 ARG 32 2HG ARG 32 -2.638 6.367 -3.007 251 HG3 ARG 32 3HG ARG 32 -4.003 6.245 -4.119 252 HD2 ARG 32 2HD ARG 32 -4.060 3.969 -4.017 253 HD3 ARG 32 3HD ARG 32 -2.324 3.831 -3.744 254 HE ARG 32 HE ARG 32 -4.368 3.982 -1.756 255 HH11 ARG 32 1HH1 ARG 32 -1.045 4.764 -2.440 256 HH12 ARG 32 2HH1 ARG 32 -0.560 4.737 -0.777 257 HH21 ARG 32 2HH2 ARG 32 -2.095 4.269 0.859 258 HH22 ARG 32 1HH2 ARG 32 -3.742 3.943 0.437 259 H ASP 33 H ASP 33 0.275 8.041 -4.264 260 HA ASP 33 HA ASP 33 -1.084 9.490 -2.097 261 HB2 ASP 33 2HB ASP 33 1.156 7.664 -2.175 262 HB3 ASP 33 3HB ASP 33 1.626 9.191 -1.434 263 H ILE 34 H ILE 34 1.361 9.766 -4.589 264 HA ILE 34 HA ILE 34 1.734 12.599 -3.877 265 HB ILE 34 HB ILE 34 3.531 10.829 -5.539 266 HG12 ILE 34 2HG1 ILE 34 4.953 11.722 -3.343 267 HG13 ILE 34 3HG1 ILE 34 3.361 11.387 -2.672 268 HG21 ILE 34 1HG2 ILE 34 3.839 12.978 -6.381 269 HG22 ILE 34 2HG2 ILE 34 3.638 13.729 -4.799 270 HG23 ILE 34 3HG2 ILE 34 5.108 12.827 -5.165 271 HD11 ILE 34 3HD1 ILE 34 3.720 9.204 -2.726 272 HD12 ILE 34 1HD1 ILE 34 4.229 9.260 -4.413 273 HD13 ILE 34 2HD1 ILE 34 5.398 9.568 -3.128 274 H THR 35 H THR 35 0.584 13.941 -5.085 275 HA THR 35 HA THR 35 0.027 13.209 -7.883 276 HB THR 35 HB THR 35 -2.043 13.445 -6.748 277 HG1 THR 35 HG1 THR 35 -2.931 15.212 -7.866 278 HG21 THR 35 3HG2 THR 35 -2.035 14.566 -4.811 279 HG22 THR 35 1HG2 THR 35 -2.234 16.028 -5.775 280 HG23 THR 35 2HG2 THR 35 -0.623 15.514 -5.277 281 H LEU 36 H LEU 36 1.568 14.134 -9.105 282 HA LEU 36 HA LEU 36 2.140 16.990 -8.661 283 HB2 LEU 36 2HB LEU 36 3.867 14.714 -9.085 284 HB3 LEU 36 3HB LEU 36 4.137 15.953 -10.309 285 HG LEU 36 HG LEU 36 4.099 17.356 -7.912 286 HD11 LEU 36 1HD1 LEU 36 5.575 16.230 -6.423 287 HD12 LEU 36 2HD1 LEU 36 5.805 14.901 -7.558 288 HD13 LEU 36 3HD1 LEU 36 4.241 15.131 -6.775 289 HD21 LEU 36 3HD2 LEU 36 5.593 18.035 -9.541 290 HD22 LEU 36 1HD2 LEU 36 6.219 16.406 -9.794 291 HD23 LEU 36 2HD2 LEU 36 6.659 17.304 -8.341 292 HA PRO 37 HA PRO 37 0.543 17.935 -12.640 293 HB2 PRO 37 2HB PRO 37 2.134 20.014 -13.357 294 HB3 PRO 37 3HB PRO 37 0.883 20.146 -12.116 295 HG2 PRO 37 2HG PRO 37 3.833 19.753 -11.797 296 HG3 PRO 37 3HG PRO 37 2.741 20.817 -10.890 297 HD2 PRO 37 2HD PRO 37 3.577 18.428 -9.929 298 HD3 PRO 37 3HD PRO 37 1.980 19.103 -9.551 299 H GLU 38 H GLU 38 0.788 17.042 -14.590 300 HA GLU 38 HA GLU 38 3.174 17.102 -16.095 301 HB2 GLU 38 2HB GLU 38 2.970 14.950 -14.214 302 HB3 GLU 38 3HB GLU 38 2.877 14.296 -15.843 303 HG2 GLU 38 2HG GLU 38 4.991 15.067 -16.411 304 HG3 GLU 38 3HG GLU 38 5.020 16.244 -15.099 305 H GLY 39 H GLY 39 0.600 14.666 -15.650 306 HA2 GLY 39 2HA GLY 39 -1.368 14.983 -17.201 307 HA3 GLY 39 3HA GLY 39 -0.157 15.132 -18.467 308 H SER 40 H SER 40 0.981 12.922 -16.296 309 HA SER 40 HA SER 40 -0.387 10.652 -17.558 310 HB2 SER 40 2HB SER 40 1.877 9.521 -17.750 311 HB3 SER 40 3HB SER 40 1.595 10.850 -18.875 312 HG SER 40 HG SER 40 3.186 11.894 -17.993 313 H ASP 41 H ASP 41 -1.357 9.749 -15.853 314 HA ASP 41 HA ASP 41 0.172 9.431 -13.362 315 HB2 ASP 41 2HB ASP 41 -2.447 10.311 -13.819 316 HB3 ASP 41 3HB ASP 41 -2.620 8.686 -13.162 317 H VAL 42 H VAL 42 -1.480 7.713 -15.902 318 HA VAL 42 HA VAL 42 -0.759 5.162 -14.610 319 HB VAL 42 HB VAL 42 -2.940 5.615 -16.651 320 HG11 VAL 42 1HG1 VAL 42 -2.070 3.185 -15.100 321 HG12 VAL 42 2HG1 VAL 42 -3.608 3.299 -15.957 322 HG13 VAL 42 3HG1 VAL 42 -2.090 3.398 -16.850 323 HG21 VAL 42 3HG2 VAL 42 -4.520 5.346 -14.865 324 HG22 VAL 42 1HG2 VAL 42 -3.227 5.033 -13.707 325 HG23 VAL 42 2HG2 VAL 42 -3.399 6.635 -14.425 326 H TRP 43 H TRP 43 0.434 3.701 -15.732 327 HA TRP 43 HA TRP 43 1.247 4.464 -18.462 328 HB2 TRP 43 2HB TRP 43 2.884 4.340 -16.253 329 HB3 TRP 43 3HB TRP 43 3.124 2.759 -16.990 330 HD1 TRP 43 HD1 TRP 43 2.784 3.953 -20.054 331 HE1 TRP 43 HE1 TRP 43 4.808 5.184 -21.061 332 HE3 TRP 43 HE3 TRP 43 5.269 5.096 -15.735 333 HZ2 TRP 43 HZ2 TRP 43 7.149 6.469 -20.145 334 HZ3 TRP 43 HZ3 TRP 43 7.393 6.328 -15.887 335 HH2 TRP 43 HH2 TRP 43 8.313 6.999 -18.047 336 H VAL 44 H VAL 44 0.204 3.131 -19.804 337 HA VAL 44 HA VAL 44 -0.213 0.338 -19.055 338 HB VAL 44 HB VAL 44 -1.215 1.846 -21.475 339 HG11 VAL 44 1HG1 VAL 44 -1.525 -0.957 -20.520 340 HG12 VAL 44 2HG1 VAL 44 -2.890 -0.180 -21.324 341 HG13 VAL 44 3HG1 VAL 44 -1.345 -0.336 -22.161 342 HG21 VAL 44 3HG2 VAL 44 -2.399 1.324 -18.771 343 HG22 VAL 44 1HG2 VAL 44 -2.313 2.835 -19.677 344 HG23 VAL 44 2HG2 VAL 44 -3.430 1.566 -20.181 345 H CYS 45 H CYS 45 1.253 -1.120 -19.611 346 HA CYS 45 HA CYS 45 3.031 -0.584 -21.873 347 HB2 CYS 45 2HB CYS 45 3.258 -2.807 -19.841 348 HB3 CYS 45 3HB CYS 45 4.502 -2.238 -20.948 349 HG CYS 45 HG CYS 45 3.488 0.258 -19.057 350 H CYS 46 H CYS 46 1.939 -1.171 -23.687 351 HA CYS 46 HA CYS 46 0.362 -3.560 -23.831 352 HB2 CYS 46 2HB CYS 46 1.306 -1.604 -25.930 353 HB3 CYS 46 3HB CYS 46 0.297 -2.997 -26.299 354 HG CYS 46 HG CYS 46 -1.873 -1.677 -25.986 355 H LEU 47 H LEU 47 0.805 -5.056 -25.810 356 HA LEU 47 HA LEU 47 3.214 -6.444 -25.268 357 HB2 LEU 47 2HB LEU 47 2.338 -8.103 -26.513 358 HB3 LEU 47 3HB LEU 47 0.861 -7.162 -26.317 359 HG LEU 47 HG LEU 47 2.681 -7.095 -28.724 360 HD11 LEU 47 1HD1 LEU 47 1.318 -9.200 -28.311 361 HD12 LEU 47 2HD1 LEU 47 1.084 -8.388 -29.859 362 HD13 LEU 47 3HD1 LEU 47 -0.109 -8.197 -28.574 363 HD21 LEU 47 3HD2 LEU 47 1.714 -5.111 -29.069 364 HD22 LEU 47 1HD2 LEU 47 0.509 -5.379 -27.809 365 HD23 LEU 47 2HD2 LEU 47 0.250 -6.029 -29.428 366 HA PRO 48 HA PRO 48 6.116 -4.715 -28.068 367 HB2 PRO 48 2HB PRO 48 7.445 -6.912 -28.950 368 HB3 PRO 48 3HB PRO 48 7.626 -6.273 -27.312 369 HG2 PRO 48 2HG PRO 48 5.952 -8.558 -28.280 370 HG3 PRO 48 3HG PRO 48 6.964 -8.449 -26.828 371 HD2 PRO 48 2HD PRO 48 4.275 -8.134 -26.757 372 HD3 PRO 48 3HD PRO 48 5.367 -7.276 -25.650 373 H ARG 49 H ARG 49 5.227 -3.819 -29.854 374 HA ARG 49 HA ARG 49 5.178 -5.369 -32.279 375 HB2 ARG 49 2HB ARG 49 2.876 -5.042 -32.850 376 HB3 ARG 49 3HB ARG 49 2.928 -5.788 -31.258 377 HG2 ARG 49 2HG ARG 49 1.394 -4.193 -30.816 378 HG3 ARG 49 3HG ARG 49 2.842 -3.232 -30.509 379 HD2 ARG 49 2HD ARG 49 2.593 -1.998 -32.405 380 HD3 ARG 49 3HD ARG 49 1.839 -3.321 -33.295 381 HE ARG 49 HE ARG 49 0.200 -2.266 -31.183 382 HH11 ARG 49 1HH1 ARG 49 1.149 -1.924 -34.515 383 HH12 ARG 49 2HH1 ARG 49 -0.305 -1.104 -34.981 384 HH21 ARG 49 2HH2 ARG 49 -1.934 -0.685 -33.426 385 HH22 ARG 49 1HH2 ARG 49 -1.718 -1.187 -31.784 386 H ASP 50 H ASP 50 4.630 -2.340 -30.600 387 HA ASP 50 HA ASP 50 5.263 -0.883 -33.081 388 HB2 ASP 50 2HB ASP 50 3.218 -0.487 -31.147 389 HB3 ASP 50 3HB ASP 50 4.329 0.875 -31.029 390 H SER 51 H SER 51 6.945 -2.137 -30.778 391 HA SER 51 HA SER 51 9.007 -1.710 -29.905 392 HB2 SER 51 2HB SER 51 9.167 -0.349 -32.142 393 HB3 SER 51 3HB SER 51 9.038 1.050 -31.077 394 HG SER 51 HG SER 51 11.227 0.174 -31.583 395 H LEU 52 H LEU 52 7.364 -1.589 -28.028 396 HA LEU 52 HA LEU 52 6.882 -0.737 -25.976 397 HB2 LEU 52 2HB LEU 52 9.336 0.625 -26.781 398 HB3 LEU 52 3HB LEU 52 8.371 1.545 -25.628 399 HG LEU 52 HG LEU 52 10.038 0.256 -24.457 400 HD11 LEU 52 1HD1 LEU 52 7.224 0.015 -24.039 401 HD12 LEU 52 2HD1 LEU 52 8.525 0.070 -22.850 402 HD13 LEU 52 3HD1 LEU 52 8.019 -1.475 -23.531 403 HD21 LEU 52 3HD2 LEU 52 10.232 -2.108 -24.593 404 HD22 LEU 52 1HD2 LEU 52 10.244 -1.495 -26.247 405 HD23 LEU 52 2HD2 LEU 52 8.783 -2.235 -25.592 406 H THR 53 H THR 53 4.803 -0.192 -26.935 407 HA THR 53 HA THR 53 4.400 2.621 -27.605 408 HB THR 53 HB THR 53 2.033 0.876 -27.511 409 HG1 THR 53 HG1 THR 53 3.130 -0.726 -28.419 410 HG21 THR 53 3HG2 THR 53 3.247 2.685 -29.601 411 HG22 THR 53 1HG2 THR 53 1.937 3.087 -28.492 412 HG23 THR 53 2HG2 THR 53 1.687 1.878 -29.751 413 H LEU 54 H LEU 54 5.118 2.185 -24.947 414 HA LEU 54 HA LEU 54 3.087 1.849 -23.101 415 HB2 LEU 54 2HB LEU 54 5.275 3.887 -22.801 416 HB3 LEU 54 3HB LEU 54 4.459 2.975 -21.533 417 HG LEU 54 HG LEU 54 5.744 1.150 -23.321 418 HD11 LEU 54 1HD1 LEU 54 8.097 2.043 -22.420 419 HD12 LEU 54 2HD1 LEU 54 7.273 3.586 -22.643 420 HD13 LEU 54 3HD1 LEU 54 7.446 2.474 -24.001 421 HD21 LEU 54 3HD2 LEU 54 6.270 0.137 -21.384 422 HD22 LEU 54 1HD2 LEU 54 5.146 1.302 -20.683 423 HD23 LEU 54 2HD2 LEU 54 6.881 1.621 -20.651 424 H SER 55 H SER 55 1.266 2.908 -22.722 425 HA SER 55 HA SER 55 0.942 5.606 -23.817 426 HB2 SER 55 2HB SER 55 -0.801 3.307 -23.509 427 HB3 SER 55 3HB SER 55 -1.527 4.756 -22.814 428 HG SER 55 HG SER 55 -1.647 5.644 -24.746 429 H ALA 56 H ALA 56 1.094 7.293 -22.511 430 HA ALA 56 HA ALA 56 0.615 6.897 -19.631 431 HB1 ALA 56 1HB ALA 56 2.518 7.961 -19.218 432 HB2 ALA 56 2HB ALA 56 2.844 7.956 -20.951 433 HB3 ALA 56 3HB ALA 56 2.024 9.332 -20.213 434 H ALA 57 H ALA 57 -1.043 7.930 -18.733 435 HA ALA 57 HA ALA 57 -1.937 10.496 -19.722 436 HB1 ALA 57 1HB ALA 57 -3.127 8.984 -21.214 437 HB2 ALA 57 2HB ALA 57 -3.786 8.115 -19.828 438 HB3 ALA 57 3HB ALA 57 -4.247 9.792 -20.118 439 H ASN 58 H ASN 58 -3.004 11.681 -18.187 440 HA ASN 58 HA ASN 58 -3.395 10.365 -15.579 441 HB2 ASN 58 2HB ASN 58 -1.567 11.980 -15.514 442 HB3 ASN 58 3HB ASN 58 -2.619 13.229 -16.173 443 HD21 ASN 58 2HD2 ASN 58 -2.636 14.020 -12.689 444 HD22 ASN 58 1HD2 ASN 58 -1.683 14.205 -14.119 445 H SER 59 H SER 59 -5.515 9.971 -15.399 446 HA SER 59 HA SER 59 -7.773 10.270 -15.354 447 HB2 SER 59 2HB SER 59 -6.652 12.307 -13.913 448 HB3 SER 59 3HB SER 59 -7.648 13.198 -15.063 449 HG SER 59 HG SER 59 -8.892 12.702 -13.272 450 H GLU 60 H GLU 60 -6.445 10.460 -17.928 451 HA GLU 60 HA GLU 60 -8.344 12.220 -19.337 452 HB2 GLU 60 2HB GLU 60 -5.462 11.778 -19.678 453 HB3 GLU 60 3HB GLU 60 -6.378 11.698 -21.176 454 HG2 GLU 60 2HG GLU 60 -6.832 13.898 -21.177 455 HG3 GLU 60 3HG GLU 60 -7.017 13.971 -19.426 456 H ASP 61 H ASP 61 -6.970 9.042 -19.065 457 HA ASP 61 HA ASP 61 -8.379 8.091 -21.436 458 HB2 ASP 61 2HB ASP 61 -6.048 7.337 -20.960 459 HB3 ASP 61 3HB ASP 61 -6.642 6.540 -19.506 460 H GLU 62 H GLU 62 -10.483 7.722 -21.163 461 HA GLU 62 HA GLU 62 -11.322 5.891 -19.071 462 HB2 GLU 62 2HB GLU 62 -11.705 8.692 -18.805 463 HB3 GLU 62 3HB GLU 62 -13.276 7.977 -19.136 464 HG2 GLU 62 2HG GLU 62 -12.413 6.265 -17.277 465 HG3 GLU 62 3HG GLU 62 -11.524 7.703 -16.778 466 H GLY 63 H GLY 63 -11.129 6.096 -22.075 467 HA2 GLY 63 2HA GLY 63 -13.775 6.217 -23.113 468 HA3 GLY 63 3HA GLY 63 -12.372 5.546 -23.931 469 H GLN 64 H GLN 64 -12.012 3.356 -23.898 470 HA GLN 64 HA GLN 64 -14.049 1.728 -22.528 471 HB2 GLN 64 2HB GLN 64 -13.078 1.638 -25.349 472 HB3 GLN 64 3HB GLN 64 -13.530 0.128 -24.569 473 HG2 GLN 64 2HG GLN 64 -15.592 0.574 -25.262 474 HG3 GLN 64 3HG GLN 64 -15.640 1.763 -23.962 475 HE21 GLN 64 2HE2 GLN 64 -16.600 3.274 -27.253 476 HE22 GLN 64 1HE2 GLN 64 -17.104 1.858 -26.402 477 H ILE 65 H ILE 65 -13.256 0.268 -21.170 478 HA ILE 65 HA ILE 65 -10.637 -0.923 -21.682 479 HB ILE 65 HB ILE 65 -10.099 0.927 -20.223 480 HG12 ILE 65 2HG1 ILE 65 -10.075 -1.261 -18.228 481 HG13 ILE 65 3HG1 ILE 65 -9.374 -1.645 -19.796 482 HG21 ILE 65 1HG2 ILE 65 -12.188 -0.190 -18.356 483 HG22 ILE 65 2HG2 ILE 65 -11.099 1.150 -17.998 484 HG23 ILE 65 3HG2 ILE 65 -12.306 1.312 -19.273 485 HD11 ILE 65 3HD1 ILE 65 -7.741 0.032 -19.586 486 HD12 ILE 65 1HD1 ILE 65 -8.572 0.778 -18.222 487 HD13 ILE 65 2HD1 ILE 65 -7.794 -0.793 -18.029 488 H ARG 66 H ARG 66 -10.394 -2.986 -20.891 489 HA ARG 66 HA ARG 66 -12.697 -4.122 -19.448 490 HB2 ARG 66 2HB ARG 66 -11.185 -5.264 -21.794 491 HB3 ARG 66 3HB ARG 66 -12.196 -6.252 -20.749 492 HG2 ARG 66 2HG ARG 66 -13.489 -3.836 -21.801 493 HG3 ARG 66 3HG ARG 66 -13.048 -5.045 -23.009 494 HD2 ARG 66 2HD ARG 66 -14.275 -6.747 -21.792 495 HD3 ARG 66 3HD ARG 66 -14.653 -5.592 -20.515 496 HE ARG 66 HE ARG 66 -15.567 -4.667 -23.040 497 HH11 ARG 66 1HH1 ARG 66 -16.296 -6.913 -20.482 498 HH12 ARG 66 2HH1 ARG 66 -17.999 -6.924 -20.801 499 HH21 ARG 66 2HH2 ARG 66 -18.857 -5.651 -22.501 500 HH22 ARG 66 1HH2 ARG 66 -17.807 -4.673 -23.470 501 H TYR 67 H TYR 67 -12.259 -5.791 -17.983 502 HA TYR 67 HA TYR 67 -9.526 -5.768 -16.965 503 HB2 TYR 67 2HB TYR 67 -11.973 -7.040 -15.730 504 HB3 TYR 67 3HB TYR 67 -10.437 -6.707 -14.940 505 HD1 TYR 67 HD1 TYR 67 -13.680 -5.421 -15.786 506 HD2 TYR 67 HD2 TYR 67 -9.751 -4.290 -14.611 507 HE1 TYR 67 HE1 TYR 67 -14.532 -3.226 -15.075 508 HE2 TYR 67 HE2 TYR 67 -10.592 -2.092 -13.895 509 HH TYR 67 HH TYR 67 -12.353 -0.755 -13.741 510 H PHE 68 H PHE 68 -8.165 -7.271 -17.649 511 HA PHE 68 HA PHE 68 -9.219 -9.886 -18.469 512 HB2 PHE 68 2HB PHE 68 -7.705 -8.344 -19.963 513 HB3 PHE 68 3HB PHE 68 -6.401 -9.019 -18.992 514 HD1 PHE 68 HD1 PHE 68 -9.495 -10.451 -20.512 515 HD2 PHE 68 HD2 PHE 68 -5.256 -10.619 -20.164 516 HE1 PHE 68 HE1 PHE 68 -9.459 -12.442 -21.957 517 HE2 PHE 68 HE2 PHE 68 -5.213 -12.610 -21.609 518 HZ PHE 68 HZ PHE 68 -7.316 -13.524 -22.508 519 H LEU 69 H LEU 69 -8.420 -11.788 -17.628 520 HA LEU 69 HA LEU 69 -6.174 -12.066 -15.991 521 HB2 LEU 69 2HB LEU 69 -8.448 -10.922 -14.678 522 HB3 LEU 69 3HB LEU 69 -8.117 -12.515 -14.002 523 HG LEU 69 HG LEU 69 -5.920 -10.497 -14.268 524 HD11 LEU 69 1HD1 LEU 69 -7.855 -9.430 -13.109 525 HD12 LEU 69 2HD1 LEU 69 -6.410 -9.596 -12.112 526 HD13 LEU 69 3HD1 LEU 69 -7.763 -10.706 -11.895 527 HD21 LEU 69 3HD2 LEU 69 -5.004 -12.501 -13.628 528 HD22 LEU 69 1HD2 LEU 69 -6.444 -13.002 -12.740 529 HD23 LEU 69 2HD2 LEU 69 -5.363 -11.788 -12.054 530 HA PRO 70 HA PRO 70 -8.950 -15.979 -15.477 531 HB2 PRO 70 2HB PRO 70 -11.500 -15.841 -16.399 532 HB3 PRO 70 3HB PRO 70 -11.050 -15.395 -14.749 533 HG2 PRO 70 2HG PRO 70 -11.526 -13.635 -17.123 534 HG3 PRO 70 3HG PRO 70 -12.053 -13.416 -15.444 535 HD2 PRO 70 2HD PRO 70 -9.911 -12.123 -16.479 536 HD3 PRO 70 3HD PRO 70 -10.002 -12.607 -14.773 537 H ASP 71 H ASP 71 -8.822 -13.993 -18.245 538 HA ASP 71 HA ASP 71 -8.683 -14.394 -20.485 539 HB2 ASP 71 2HB ASP 71 -7.730 -17.170 -19.869 540 HB3 ASP 71 3HB ASP 71 -7.162 -16.046 -21.101 541 H ARG 72 H ARG 72 -11.208 -15.007 -19.258 542 HA ARG 72 HA ARG 72 -12.190 -16.963 -21.217 543 HB2 ARG 72 2HB ARG 72 -12.108 -17.396 -18.445 544 HB3 ARG 72 3HB ARG 72 -13.784 -17.007 -18.809 545 HG2 ARG 72 2HG ARG 72 -14.126 -18.923 -19.941 546 HG3 ARG 72 3HG ARG 72 -12.495 -18.942 -20.616 547 HD2 ARG 72 2HD ARG 72 -12.511 -19.309 -17.734 548 HD3 ARG 72 3HD ARG 72 -13.449 -20.544 -18.574 549 HE ARG 72 HE ARG 72 -10.877 -20.098 -19.752 550 HH11 ARG 72 1HH1 ARG 72 -12.591 -21.774 -17.228 551 HH12 ARG 72 2HH1 ARG 72 -11.423 -23.047 -17.100 552 HH21 ARG 72 2HH2 ARG 72 -9.568 -23.042 -18.446 553 HH22 ARG 72 1HH2 ARG 72 -9.331 -21.768 -19.594 554 H ASP 73 H ASP 73 -12.134 -13.970 -20.971 555 HA ASP 73 HA ASP 73 -14.981 -13.347 -20.759 556 HB2 ASP 73 2HB ASP 73 -13.143 -11.917 -19.699 557 HB3 ASP 73 3HB ASP 73 -12.761 -11.390 -21.336 558 H GLU 74 H GLU 74 -14.071 -14.973 -22.947 559 HA GLU 74 HA GLU 74 -14.347 -15.192 -25.194 560 HB2 GLU 74 2HB GLU 74 -15.891 -12.602 -25.054 561 HB3 GLU 74 3HB GLU 74 -16.040 -13.871 -26.261 562 HG2 GLU 74 2HG GLU 74 -16.509 -15.079 -23.767 563 HG3 GLU 74 3HG GLU 74 -17.415 -13.567 -23.779 564 H GLY 75 H GLY 75 -11.952 -14.061 -24.418 565 HA2 GLY 75 2HA GLY 75 -11.375 -12.392 -26.761 566 HA3 GLY 75 3HA GLY 75 -10.895 -11.799 -25.178 567 H MET 76 H MET 76 -10.142 -14.342 -24.093 568 HA MET 76 HA MET 76 -7.460 -14.437 -24.698 569 HB2 MET 76 2HB MET 76 -8.257 -15.504 -22.715 570 HB3 MET 76 3HB MET 76 -9.287 -16.590 -23.636 571 HG2 MET 76 2HG MET 76 -6.401 -16.711 -24.227 572 HG3 MET 76 3HG MET 76 -6.906 -17.291 -22.642 573 HE1 MET 76 3HE MET 76 -5.987 -18.955 -25.968 574 HE2 MET 76 1HE MET 76 -5.389 -18.972 -24.309 575 HE3 MET 76 2HE MET 76 -6.209 -20.389 -24.965 576 H MET 77 H MET 77 -10.125 -15.982 -26.341 577 HA MET 77 HA MET 77 -8.717 -17.902 -27.815 578 HB2 MET 77 2HB MET 77 -10.630 -17.785 -29.401 579 HB3 MET 77 3HB MET 77 -11.124 -17.958 -27.722 580 HG2 MET 77 2HG MET 77 -11.521 -15.510 -27.646 581 HG3 MET 77 3HG MET 77 -11.166 -15.444 -29.371 582 HE1 MET 77 3HE MET 77 -12.388 -15.883 -31.072 583 HE2 MET 77 1HE MET 77 -13.198 -17.449 -31.112 584 HE3 MET 77 2HE MET 77 -14.150 -15.965 -31.093 585 H GLU 78 H GLU 78 -9.380 -14.492 -28.474 586 HA GLU 78 HA GLU 78 -7.922 -14.625 -30.990 587 HB2 GLU 78 2HB GLU 78 -9.738 -12.689 -29.682 588 HB3 GLU 78 3HB GLU 78 -8.476 -11.997 -30.690 589 HG2 GLU 78 2HG GLU 78 -9.306 -13.766 -32.426 590 HG3 GLU 78 3HG GLU 78 -10.775 -13.726 -31.452 591 H GLU 79 H GLU 79 -7.287 -14.014 -27.726 592 HA GLU 79 HA GLU 79 -4.891 -12.434 -28.356 593 HB2 GLU 79 2HB GLU 79 -6.806 -12.224 -26.297 594 HB3 GLU 79 3HB GLU 79 -5.325 -12.786 -25.533 595 HG2 GLU 79 2HG GLU 79 -5.598 -10.317 -25.575 596 HG3 GLU 79 3HG GLU 79 -4.109 -10.901 -26.316 597 H GLY 80 H GLY 80 -5.371 -15.433 -28.600 598 HA2 GLY 80 2HA GLY 80 -2.786 -16.215 -27.619 599 HA3 GLY 80 3HA GLY 80 -4.102 -16.956 -26.721 600 H LYS 81 H LYS 81 -5.902 -17.219 -28.929 601 HA LYS 81 HA LYS 81 -4.624 -19.498 -30.253 602 HB2 LYS 81 2HB LYS 81 -7.143 -19.136 -29.080 603 HB3 LYS 81 3HB LYS 81 -7.448 -19.194 -30.811 604 HG2 LYS 81 2HG LYS 81 -5.729 -21.283 -30.481 605 HG3 LYS 81 3HG LYS 81 -6.641 -21.314 -28.970 606 HD2 LYS 81 2HD LYS 81 -8.099 -22.535 -30.186 607 HD3 LYS 81 3HD LYS 81 -8.648 -20.951 -30.736 608 HE2 LYS 81 2HE LYS 81 -7.535 -21.133 -32.768 609 HE3 LYS 81 3HE LYS 81 -6.432 -22.368 -32.164 610 HZ1 LYS 81 3HZ LYS 81 -7.777 -23.842 -33.101 611 HZ2 LYS 81 1HZ LYS 81 -8.962 -22.679 -33.426 612 HZ3 LYS 81 2HZ LYS 81 -8.937 -23.464 -31.928 613 H LEU 82 H LEU 82 -4.529 -16.490 -30.954 614 HA LEU 82 HA LEU 82 -5.129 -16.870 -33.809 615 HB2 LEU 82 2HB LEU 82 -6.754 -15.366 -32.582 616 HB3 LEU 82 3HB LEU 82 -5.411 -14.246 -32.365 617 HG LEU 82 HG LEU 82 -5.289 -14.502 -35.014 618 HD11 LEU 82 1HD1 LEU 82 -7.132 -15.222 -36.054 619 HD12 LEU 82 2HD1 LEU 82 -8.208 -14.437 -34.899 620 HD13 LEU 82 3HD1 LEU 82 -7.509 -16.012 -34.522 621 HD21 LEU 82 3HD2 LEU 82 -5.510 -12.335 -34.469 622 HD22 LEU 82 1HD2 LEU 82 -6.659 -12.673 -33.174 623 HD23 LEU 82 2HD2 LEU 82 -7.214 -12.592 -34.846 624 H ASP 83 H ASP 83 -3.441 -14.632 -31.599 625 HA ASP 83 HA ASP 83 -1.170 -14.657 -33.478 626 HB2 ASP 83 2HB ASP 83 -1.590 -12.422 -31.529 627 HB3 ASP 83 3HB ASP 83 -0.768 -12.405 -33.087 628 H ALA 84 H ALA 84 0.647 -15.521 -32.739 629 HA ALA 84 HA ALA 84 0.916 -16.666 -30.210 630 HB1 ALA 84 1HB ALA 84 2.315 -17.578 -31.807 631 HB2 ALA 84 2HB ALA 84 2.854 -16.002 -32.387 632 HB3 ALA 84 3HB ALA 84 3.435 -16.618 -30.840 633 H SER 85 H SER 85 1.675 -13.455 -31.349 634 HA SER 85 HA SER 85 3.399 -12.647 -29.282 635 HB2 SER 85 2HB SER 85 1.508 -10.678 -30.495 636 HB3 SER 85 3HB SER 85 3.235 -10.525 -30.173 637 HG SER 85 HG SER 85 1.995 -11.288 -32.433 638 H CYS 86 H CYS 86 -0.116 -12.643 -29.553 639 HA CYS 86 HA CYS 86 -0.619 -11.180 -27.180 640 HB2 CYS 86 2HB CYS 86 -2.362 -13.151 -28.673 641 HB3 CYS 86 3HB CYS 86 -2.922 -12.098 -27.379 642 HG CYS 86 HG CYS 86 -3.202 -11.451 -30.410 643 H ALA 87 H ALA 87 -0.560 -14.662 -27.880 644 HA ALA 87 HA ALA 87 -1.233 -15.538 -25.296 645 HB1 ALA 87 1HB ALA 87 0.519 -17.413 -26.551 646 HB2 ALA 87 2HB ALA 87 -1.228 -17.504 -26.322 647 HB3 ALA 87 3HB ALA 87 -0.566 -16.728 -27.761 648 H VAL 88 H VAL 88 1.841 -14.660 -26.755 649 HA VAL 88 HA VAL 88 3.475 -15.651 -24.642 650 HB VAL 88 HB VAL 88 4.041 -13.601 -26.784 651 HG11 VAL 88 1HG1 VAL 88 5.536 -13.115 -25.006 652 HG12 VAL 88 2HG1 VAL 88 5.858 -14.826 -24.720 653 HG13 VAL 88 3HG1 VAL 88 6.446 -14.051 -26.191 654 HG21 VAL 88 3HG2 VAL 88 5.268 -16.313 -26.667 655 HG22 VAL 88 1HG2 VAL 88 3.605 -16.154 -27.234 656 HG23 VAL 88 2HG2 VAL 88 4.905 -15.298 -28.063 657 H ALA 89 H ALA 89 2.145 -12.464 -25.436 658 HA ALA 89 HA ALA 89 3.407 -11.024 -23.378 659 HB1 ALA 89 1HB ALA 89 1.600 -9.357 -23.732 660 HB2 ALA 89 2HB ALA 89 2.397 -9.866 -25.222 661 HB3 ALA 89 3HB ALA 89 0.806 -10.506 -24.810 662 H ILE 90 H ILE 90 0.245 -12.635 -23.503 663 HA ILE 90 HA ILE 90 -0.560 -11.880 -20.895 664 HB ILE 90 HB ILE 90 -1.464 -14.229 -22.564 665 HG12 ILE 90 2HG1 ILE 90 -2.997 -11.682 -22.165 666 HG13 ILE 90 3HG1 ILE 90 -1.728 -11.758 -23.383 667 HG21 ILE 90 1HG2 ILE 90 -2.244 -14.803 -20.487 668 HG22 ILE 90 2HG2 ILE 90 -2.365 -13.129 -19.949 669 HG23 ILE 90 3HG2 ILE 90 -3.570 -13.789 -21.055 670 HD11 ILE 90 3HD1 ILE 90 -3.670 -12.248 -24.551 671 HD12 ILE 90 1HD1 ILE 90 -2.956 -13.831 -24.245 672 HD13 ILE 90 2HD1 ILE 90 -4.305 -13.267 -23.260 673 H GLU 91 H GLU 91 0.873 -14.872 -22.178 674 HA GLU 91 HA GLU 91 0.920 -16.325 -19.798 675 HB2 GLU 91 2HB GLU 91 1.444 -17.110 -22.182 676 HB3 GLU 91 3HB GLU 91 3.072 -16.510 -21.896 677 HG2 GLU 91 2HG GLU 91 3.615 -18.371 -20.840 678 HG3 GLU 91 3HG GLU 91 2.288 -18.151 -19.700 679 H GLU 92 H GLU 92 3.166 -13.935 -21.072 680 HA GLU 92 HA GLU 92 5.187 -14.362 -19.111 681 HB2 GLU 92 2HB GLU 92 5.587 -13.290 -21.323 682 HB3 GLU 92 3HB GLU 92 4.676 -11.891 -20.775 683 HG2 GLU 92 2HG GLU 92 6.303 -11.451 -19.052 684 HG3 GLU 92 3HG GLU 92 7.185 -12.919 -19.470 685 H ALA 93 H ALA 93 2.564 -11.998 -19.452 686 HA ALA 93 HA ALA 93 3.123 -10.433 -17.216 687 HB1 ALA 93 1HB ALA 93 1.194 -10.438 -19.154 688 HB2 ALA 93 2HB ALA 93 0.270 -10.830 -17.702 689 HB3 ALA 93 3HB ALA 93 1.239 -9.357 -17.760 690 H ILE 94 H ILE 94 1.139 -13.361 -17.495 691 HA ILE 94 HA ILE 94 0.390 -13.384 -14.739 692 HB ILE 94 HB ILE 94 -0.471 -15.630 -15.169 693 HG12 ILE 94 2HG1 ILE 94 0.857 -15.311 -17.869 694 HG13 ILE 94 3HG1 ILE 94 1.296 -16.471 -16.620 695 HG21 ILE 94 1HG2 ILE 94 -1.407 -13.299 -16.207 696 HG22 ILE 94 2HG2 ILE 94 -1.336 -14.318 -17.643 697 HG23 ILE 94 3HG2 ILE 94 -2.275 -14.834 -16.242 698 HD11 ILE 94 3HD1 ILE 94 0.050 -17.581 -18.336 699 HD12 ILE 94 1HD1 ILE 94 -0.930 -17.512 -16.872 700 HD13 ILE 94 2HD1 ILE 94 -1.258 -16.405 -18.206 701 H GLN 95 H GLN 95 2.976 -14.821 -16.625 702 HA GLN 95 HA GLN 95 3.885 -16.651 -14.674 703 HB2 GLN 95 2HB GLN 95 4.562 -16.903 -16.974 704 HB3 GLN 95 3HB GLN 95 5.320 -15.316 -16.972 705 HG2 GLN 95 2HG GLN 95 7.200 -16.074 -16.026 706 HG3 GLN 95 3HG GLN 95 6.334 -17.142 -14.922 707 HE21 GLN 95 2HE2 GLN 95 7.764 -18.501 -18.472 708 HE22 GLN 95 1HE2 GLN 95 7.740 -16.816 -18.089 709 H LEU 96 H LEU 96 4.432 -13.243 -15.186 710 HA LEU 96 HA LEU 96 6.603 -13.121 -13.272 711 HB2 LEU 96 2HB LEU 96 5.127 -11.048 -14.872 712 HB3 LEU 96 3HB LEU 96 6.331 -10.623 -13.658 713 HG LEU 96 HG LEU 96 6.943 -12.391 -16.016 714 HD11 LEU 96 1HD1 LEU 96 7.386 -10.621 -17.349 715 HD12 LEU 96 2HD1 LEU 96 7.843 -9.579 -16.002 716 HD13 LEU 96 3HD1 LEU 96 6.140 -9.860 -16.360 717 HD21 LEU 96 3HD2 LEU 96 8.346 -11.928 -13.713 718 HD22 LEU 96 1HD2 LEU 96 9.027 -10.732 -14.816 719 HD23 LEU 96 2HD2 LEU 96 9.045 -12.441 -15.250 720 H TYR 97 H TYR 97 3.219 -12.085 -13.468 721 HA TYR 97 HA TYR 97 3.065 -10.792 -10.993 722 HB2 TYR 97 2HB TYR 97 1.315 -10.586 -12.683 723 HB3 TYR 97 3HB TYR 97 0.911 -12.289 -12.502 724 HD1 TYR 97 HD1 TYR 97 1.344 -9.331 -10.247 725 HD2 TYR 97 HD2 TYR 97 -1.014 -12.707 -11.317 726 HE1 TYR 97 HE1 TYR 97 -0.272 -8.753 -8.485 727 HE2 TYR 97 HE2 TYR 97 -2.637 -12.138 -9.559 728 HH TYR 97 HH TYR 97 -3.350 -10.216 -8.264 729 H GLU 98 H GLU 98 2.525 -14.184 -11.861 730 HA GLU 98 HA GLU 98 1.826 -14.962 -9.193 731 HB2 GLU 98 2HB GLU 98 1.690 -17.177 -10.031 732 HB3 GLU 98 3HB GLU 98 1.093 -16.133 -11.313 733 HG2 GLU 98 2HG GLU 98 3.423 -16.237 -12.294 734 HG3 GLU 98 3HG GLU 98 3.740 -17.534 -11.145 735 H GLU 99 H GLU 99 4.754 -14.426 -10.864 736 HA GLU 99 HA GLU 99 6.346 -16.185 -9.208 737 HB2 GLU 99 2HB GLU 99 7.091 -15.899 -11.464 738 HB3 GLU 99 3HB GLU 99 7.057 -14.148 -11.317 739 HG2 GLU 99 2HG GLU 99 8.817 -15.648 -9.466 740 HG3 GLU 99 3HG GLU 99 9.299 -15.543 -11.158 741 H GLN 100 H GLN 100 5.390 -12.842 -9.282 742 HA GLN 100 HA GLN 100 7.280 -12.172 -7.149 743 HB2 GLN 100 2HB GLN 100 5.513 -10.508 -8.931 744 HB3 GLN 100 3HB GLN 100 6.305 -9.831 -7.514 745 HG2 GLN 100 2HG GLN 100 8.310 -11.182 -8.906 746 HG3 GLN 100 3HG GLN 100 7.362 -10.345 -10.135 747 HE21 GLN 100 2HE2 GLN 100 9.693 -8.297 -7.522 748 HE22 GLN 100 1HE2 GLN 100 9.401 -9.990 -7.347 749 H LEU 101 H LEU 101 3.883 -12.646 -7.769 750 HA LEU 101 HA LEU 101 2.721 -11.401 -5.592 751 HB2 LEU 101 2HB LEU 101 1.381 -12.376 -7.321 752 HB3 LEU 101 3HB LEU 101 1.995 -13.987 -6.955 753 HG LEU 101 HG LEU 101 0.851 -13.821 -4.732 754 HD11 LEU 101 1HD1 LEU 101 0.730 -11.286 -4.849 755 HD12 LEU 101 2HD1 LEU 101 -0.711 -12.127 -4.280 756 HD13 LEU 101 3HD1 LEU 101 -0.645 -11.509 -5.930 757 HD21 LEU 101 3HD2 LEU 101 -1.375 -13.479 -6.584 758 HD22 LEU 101 1HD2 LEU 101 -0.895 -14.885 -5.634 759 HD23 LEU 101 2HD2 LEU 101 -0.123 -14.565 -7.187 760 H LYS 102 H LYS 102 4.079 -14.678 -5.783 761 HA LYS 102 HA LYS 102 3.551 -15.279 -3.039 762 HB2 LYS 102 2HB LYS 102 4.511 -16.670 -5.341 763 HB3 LYS 102 3HB LYS 102 5.661 -16.910 -4.032 764 HG2 LYS 102 2HG LYS 102 4.018 -18.680 -4.043 765 HG3 LYS 102 3HG LYS 102 3.841 -17.695 -2.589 766 HD2 LYS 102 2HD LYS 102 1.650 -18.093 -3.400 767 HD3 LYS 102 3HD LYS 102 2.038 -16.423 -3.820 768 HE2 LYS 102 2HE LYS 102 0.957 -17.534 -5.687 769 HE3 LYS 102 3HE LYS 102 2.629 -17.147 -6.090 770 HZ1 LYS 102 3HZ LYS 102 3.260 -19.358 -5.941 771 HZ2 LYS 102 1HZ LYS 102 1.740 -19.457 -6.677 772 HZ3 LYS 102 2HZ LYS 102 1.907 -19.804 -5.030 773 H ALA 103 H ALA 103 6.120 -13.722 -4.760 774 HA ALA 103 HA ALA 103 8.204 -14.078 -2.893 775 HB1 ALA 103 1HB ALA 103 8.111 -11.553 -4.434 776 HB2 ALA 103 2HB ALA 103 9.424 -12.713 -4.230 777 HB3 ALA 103 3HB ALA 103 8.112 -13.056 -5.358 778 H GLN 104 H GLN 104 5.609 -11.712 -3.145 779 HA GLN 104 HA GLN 104 6.559 -10.441 -0.669 780 HB2 GLN 104 2HB GLN 104 4.449 -9.350 -2.522 781 HB3 GLN 104 3HB GLN 104 5.350 -8.491 -1.280 782 HG2 GLN 104 2HG GLN 104 7.379 -8.669 -2.577 783 HG3 GLN 104 3HG GLN 104 6.545 -9.633 -3.795 784 HE21 GLN 104 2HE2 GLN 104 6.512 -6.446 -5.371 785 HE22 GLN 104 1HE2 GLN 104 7.478 -7.860 -5.140 786 H ALA 105 H ALA 105 4.939 -12.979 -1.076 787 HA ALA 105 HA ALA 105 2.686 -12.220 0.669 788 HB1 ALA 105 1HB ALA 105 1.806 -12.856 -1.479 789 HB2 ALA 105 2HB ALA 105 2.743 -14.351 -1.464 790 HB3 ALA 105 3HB ALA 105 1.432 -14.120 -0.307 791 H GLY 106 H GLY 106 5.478 -13.161 1.246 792 HA2 GLY 106 2HA GLY 106 6.364 -14.400 2.987 793 HA3 GLY 106 3HA GLY 106 4.759 -15.049 3.292 794 H GLY 107 H GLY 107 7.013 -15.189 0.526 795 HA2 GLY 107 2HA GLY 107 7.320 -18.050 0.866 796 HA3 GLY 107 3HA GLY 107 6.390 -17.578 -0.549 797 H THR 108 H THR 108 8.693 -19.014 -0.859 798 HA THR 108 HA THR 108 10.585 -19.050 -2.127 799 HB THR 108 HB THR 108 10.330 -16.137 -2.773 800 HG1 THR 108 HG1 THR 108 8.833 -16.970 -4.495 801 HG21 THR 108 3HG2 THR 108 10.689 -17.744 -5.050 802 HG22 THR 108 1HG2 THR 108 11.730 -18.427 -3.801 803 HG23 THR 108 2HG2 THR 108 11.890 -16.729 -4.251 804 H ASN 109 H ASN 109 11.319 -19.069 0.290 805 HA ASN 109 HA ASN 109 12.923 -18.542 1.813 806 HB2 ASN 109 2HB ASN 109 14.257 -16.821 -0.262 807 HB3 ASN 109 3HB ASN 109 14.998 -17.803 0.998 808 HD21 ASN 109 2HD2 ASN 109 15.061 -19.315 -2.516 809 HD22 ASN 109 1HD2 ASN 109 15.232 -17.672 -2.008 810 H GLU 110 H GLU 110 10.581 -16.835 1.566 811 HA GLU 110 HA GLU 110 11.574 -14.592 3.110 812 HB2 GLU 110 2HB GLU 110 11.201 -14.187 0.422 813 HB3 GLU 110 3HB GLU 110 9.647 -13.699 1.084 814 HG2 GLU 110 2HG GLU 110 12.237 -12.658 2.178 815 HG3 GLU 110 3HG GLU 110 11.422 -11.904 0.808 Start of MODEL 3 1 H1 MET 1 H MET 1 3.040 -0.828 0.688 2 HA MET 1 HA MET 1 3.385 0.315 -1.620 3 HB2 MET 1 2HB MET 1 4.402 -2.466 -1.023 4 HB3 MET 1 3HB MET 1 5.007 -1.460 -2.332 5 HG2 MET 1 2HG MET 1 5.629 0.252 -0.636 6 HG3 MET 1 3HG MET 1 5.174 -0.900 0.617 7 HE1 MET 1 3HE MET 1 8.010 -3.089 1.131 8 HE2 MET 1 1HE MET 1 6.386 -2.529 1.531 9 HE3 MET 1 2HE MET 1 6.616 -3.725 0.256 10 H ILE 2 H ILE 2 0.973 0.080 -2.273 11 HA ILE 2 HA ILE 2 0.846 -1.929 -4.422 12 HB ILE 2 HB ILE 2 -1.659 -1.925 -4.079 13 HG12 ILE 2 2HG1 ILE 2 -1.216 -1.128 -1.251 14 HG13 ILE 2 3HG1 ILE 2 -1.262 0.166 -2.443 15 HG21 ILE 2 1HG2 ILE 2 0.110 -3.639 -3.237 16 HG22 ILE 2 2HG2 ILE 2 -0.316 -3.015 -1.645 17 HG23 ILE 2 3HG2 ILE 2 -1.555 -3.746 -2.665 18 HD11 ILE 2 3HD1 ILE 2 -3.437 -1.641 -2.885 19 HD12 ILE 2 1HD1 ILE 2 -3.420 -1.107 -1.205 20 HD13 ILE 2 2HD1 ILE 2 -3.468 0.081 -2.507 21 HA PRO 3 HA PRO 3 0.321 2.373 -6.110 22 HB2 PRO 3 2HB PRO 3 2.051 2.029 -8.174 23 HB3 PRO 3 3HB PRO 3 2.565 2.558 -6.568 24 HG2 PRO 3 2HG PRO 3 2.676 -0.173 -7.787 25 HG3 PRO 3 3HG PRO 3 3.898 0.669 -6.818 26 HD2 PRO 3 2HD PRO 3 2.262 -1.221 -5.777 27 HD3 PRO 3 3HD PRO 3 2.854 0.158 -4.827 28 H SER 4 H SER 4 -0.990 2.928 -7.800 29 HA SER 4 HA SER 4 -2.578 2.660 -9.409 30 HB2 SER 4 2HB SER 4 -1.850 1.744 -11.415 31 HB3 SER 4 3HB SER 4 -0.317 2.059 -10.602 32 HG SER 4 HG SER 4 -0.060 -0.057 -10.223 33 H PHE 5 H PHE 5 -2.811 1.081 -6.986 34 HA PHE 5 HA PHE 5 -3.971 -0.672 -6.098 35 HB2 PHE 5 2HB PHE 5 -5.654 0.730 -7.607 36 HB3 PHE 5 3HB PHE 5 -5.714 -0.777 -8.515 37 HD1 PHE 5 HD1 PHE 5 -7.479 0.983 -6.256 38 HD2 PHE 5 HD2 PHE 5 -5.742 -2.881 -6.663 39 HE1 PHE 5 HE1 PHE 5 -9.109 0.085 -4.646 40 HE2 PHE 5 HE2 PHE 5 -7.369 -3.786 -5.054 41 HZ PHE 5 HZ PHE 5 -9.056 -2.302 -4.044 42 H ALA 6 H ALA 6 -2.317 -2.229 -6.263 43 HA ALA 6 HA ALA 6 -1.471 -4.272 -6.802 44 HB1 ALA 6 1HB ALA 6 -4.258 -4.394 -7.615 45 HB2 ALA 6 2HB ALA 6 -3.227 -5.474 -8.554 46 HB3 ALA 6 3HB ALA 6 -3.264 -5.598 -6.795 47 HA PRO 7 HA PRO 7 0.135 -2.559 -10.768 48 HB2 PRO 7 2HB PRO 7 2.745 -2.854 -10.084 49 HB3 PRO 7 3HB PRO 7 1.788 -1.438 -9.633 50 HG2 PRO 7 2HG PRO 7 2.487 -3.850 -8.004 51 HG3 PRO 7 3HG PRO 7 2.488 -2.142 -7.530 52 HD2 PRO 7 2HD PRO 7 0.471 -3.830 -6.886 53 HD3 PRO 7 3HD PRO 7 0.208 -2.102 -7.197 54 H GLY 8 H GLY 8 0.433 -3.825 -12.498 55 HA2 GLY 8 2HA GLY 8 1.745 -5.588 -13.563 56 HA3 GLY 8 3HA GLY 8 1.589 -6.510 -12.075 57 H THR 9 H THR 9 -1.185 -4.788 -13.153 58 HA THR 9 HA THR 9 -2.517 -7.323 -13.719 59 HB THR 9 HB THR 9 -3.970 -4.711 -13.760 60 HG1 THR 9 HG1 THR 9 -3.346 -6.061 -11.337 61 HG21 THR 9 3HG2 THR 9 -4.608 -7.507 -12.821 62 HG22 THR 9 1HG2 THR 9 -5.254 -6.680 -14.238 63 HG23 THR 9 2HG2 THR 9 -5.690 -6.129 -12.620 64 H LEU 10 H LEU 10 -3.179 -7.943 -15.690 65 HA LEU 10 HA LEU 10 -2.508 -6.225 -17.951 66 HB2 LEU 10 2HB LEU 10 -1.816 -8.665 -17.755 67 HB3 LEU 10 3HB LEU 10 -3.506 -9.058 -18.066 68 HG LEU 10 HG LEU 10 -1.880 -7.400 -19.975 69 HD11 LEU 10 1HD1 LEU 10 -0.640 -9.418 -19.790 70 HD12 LEU 10 2HD1 LEU 10 -1.605 -9.534 -21.261 71 HD13 LEU 10 3HD1 LEU 10 -2.107 -10.396 -19.807 72 HD21 LEU 10 3HD2 LEU 10 -4.579 -8.507 -19.873 73 HD22 LEU 10 1HD2 LEU 10 -3.718 -8.881 -21.367 74 HD23 LEU 10 2HD2 LEU 10 -3.922 -7.202 -20.863 75 H VAL 11 H VAL 11 -4.017 -4.967 -18.799 76 HA VAL 11 HA VAL 11 -6.814 -5.901 -18.768 77 HB VAL 11 HB VAL 11 -7.443 -3.456 -18.782 78 HG11 VAL 11 1HG1 VAL 11 -7.777 -3.602 -16.572 79 HG12 VAL 11 2HG1 VAL 11 -6.990 -5.176 -16.706 80 HG13 VAL 11 3HG1 VAL 11 -6.055 -3.759 -16.226 81 HG21 VAL 11 3HG2 VAL 11 -5.770 -1.879 -17.890 82 HG22 VAL 11 1HG2 VAL 11 -4.544 -3.141 -18.011 83 HG23 VAL 11 2HG2 VAL 11 -5.316 -2.519 -19.469 84 H TRP 12 H TRP 12 -8.078 -4.310 -20.408 85 HA TRP 12 HA TRP 12 -6.591 -4.465 -22.949 86 HB2 TRP 12 2HB TRP 12 -9.410 -5.162 -22.242 87 HB3 TRP 12 3HB TRP 12 -9.070 -4.563 -23.863 88 HD1 TRP 12 HD1 TRP 12 -6.147 -6.482 -22.761 89 HE1 TRP 12 HE1 TRP 12 -6.185 -8.862 -23.741 90 HE3 TRP 12 HE3 TRP 12 -10.989 -6.609 -24.397 91 HZ2 TRP 12 HZ2 TRP 12 -8.024 -10.567 -25.037 92 HZ3 TRP 12 HZ3 TRP 12 -11.809 -8.652 -25.497 93 HH2 TRP 12 HH2 TRP 12 -10.355 -10.588 -25.810 94 H LEU 13 H LEU 13 -6.466 -2.684 -24.187 95 HA LEU 13 HA LEU 13 -8.008 -0.324 -23.328 96 HB2 LEU 13 2HB LEU 13 -5.292 -0.608 -23.322 97 HB3 LEU 13 3HB LEU 13 -5.573 0.158 -24.884 98 HG LEU 13 HG LEU 13 -7.075 1.625 -23.017 99 HD11 LEU 13 1HD1 LEU 13 -5.367 0.346 -21.457 100 HD12 LEU 13 2HD1 LEU 13 -5.784 2.038 -21.188 101 HD13 LEU 13 3HD1 LEU 13 -4.282 1.621 -22.012 102 HD21 LEU 13 3HD2 LEU 13 -5.973 3.385 -23.939 103 HD22 LEU 13 1HD2 LEU 13 -5.562 2.159 -25.138 104 HD23 LEU 13 2HD2 LEU 13 -4.404 2.582 -23.877 105 H LYS 14 H LYS 14 -9.528 0.210 -24.736 106 HA LYS 14 HA LYS 14 -9.113 -0.404 -27.581 107 HB2 LYS 14 2HB LYS 14 -11.133 -1.320 -26.273 108 HB3 LYS 14 3HB LYS 14 -11.749 0.326 -26.325 109 HG2 LYS 14 2HG LYS 14 -11.990 0.291 -28.644 110 HG3 LYS 14 3HG LYS 14 -10.927 -1.107 -28.824 111 HD2 LYS 14 2HD LYS 14 -12.553 -2.592 -28.051 112 HD3 LYS 14 3HD LYS 14 -13.497 -1.309 -27.291 113 HE2 LYS 14 2HE LYS 14 -14.289 -0.527 -29.372 114 HE3 LYS 14 3HE LYS 14 -13.095 -1.465 -30.266 115 HZ1 LYS 14 3HZ LYS 14 -15.672 -2.256 -29.276 116 HZ2 LYS 14 1HZ LYS 14 -14.449 -3.353 -28.876 117 HZ3 LYS 14 2HZ LYS 14 -14.724 -2.948 -30.494 118 H GLN 15 H GLN 15 -8.321 1.290 -28.649 119 HA GLN 15 HA GLN 15 -8.657 3.984 -27.809 120 HB2 GLN 15 2HB GLN 15 -7.238 2.556 -29.917 121 HB3 GLN 15 3HB GLN 15 -7.884 4.096 -30.468 122 HG2 GLN 15 2HG GLN 15 -6.588 4.307 -27.883 123 HG3 GLN 15 3HG GLN 15 -5.508 3.695 -29.134 124 HE21 GLN 15 2HE2 GLN 15 -5.904 7.534 -28.886 125 HE22 GLN 15 1HE2 GLN 15 -6.004 6.356 -27.626 126 H ASP 16 H ASP 16 -9.482 5.683 -29.386 127 HA ASP 16 HA ASP 16 -12.239 5.278 -29.804 128 HB2 ASP 16 2HB ASP 16 -10.338 7.441 -30.700 129 HB3 ASP 16 3HB ASP 16 -12.057 7.483 -31.084 130 H ARG 17 H ARG 17 -9.657 5.816 -32.210 131 HA ARG 17 HA ARG 17 -11.390 4.674 -34.270 132 HB2 ARG 17 2HB ARG 17 -8.879 6.319 -34.327 133 HB3 ARG 17 3HB ARG 17 -9.386 5.419 -35.750 134 HG2 ARG 17 2HG ARG 17 -11.651 6.619 -35.407 135 HG3 ARG 17 3HG ARG 17 -10.715 7.732 -34.407 136 HD2 ARG 17 2HD ARG 17 -10.231 8.813 -36.296 137 HD3 ARG 17 3HD ARG 17 -9.173 7.455 -36.678 138 HE ARG 17 HE ARG 17 -11.615 6.657 -37.571 139 HH11 ARG 17 1HH1 ARG 17 -9.616 9.455 -38.118 140 HH12 ARG 17 2HH1 ARG 17 -10.195 9.716 -39.730 141 HH21 ARG 17 2HH2 ARG 17 -11.771 8.314 -40.624 142 HH22 ARG 17 1HH2 ARG 17 -12.385 6.990 -39.692 143 H PHE 18 H PHE 18 -8.582 3.948 -32.390 144 HA PHE 18 HA PHE 18 -7.757 1.764 -34.117 145 HB2 PHE 18 2HB PHE 18 -6.562 3.304 -31.973 146 HB3 PHE 18 3HB PHE 18 -6.354 1.577 -31.703 147 HD1 PHE 18 HD1 PHE 18 -6.320 3.709 -34.765 148 HD2 PHE 18 HD2 PHE 18 -4.239 0.930 -32.303 149 HE1 PHE 18 HE1 PHE 18 -4.455 3.689 -36.370 150 HE2 PHE 18 HE2 PHE 18 -2.370 0.906 -33.903 151 HZ PHE 18 HZ PHE 18 -2.476 2.288 -35.939 152 HA PRO 19 HA PRO 19 -9.929 -1.473 -32.105 153 HB2 PRO 19 2HB PRO 19 -8.121 -3.497 -32.198 154 HB3 PRO 19 3HB PRO 19 -8.980 -2.910 -33.627 155 HG2 PRO 19 2HG PRO 19 -6.207 -2.279 -32.692 156 HG3 PRO 19 3HG PRO 19 -6.782 -2.630 -34.332 157 HD2 PRO 19 2HD PRO 19 -6.310 -0.109 -33.462 158 HD3 PRO 19 3HD PRO 19 -7.576 -0.489 -34.647 159 H TRP 20 H TRP 20 -9.208 -3.472 -30.497 160 HA TRP 20 HA TRP 20 -8.209 -2.086 -28.109 161 HB2 TRP 20 2HB TRP 20 -9.290 -4.079 -26.919 162 HB3 TRP 20 3HB TRP 20 -10.373 -2.923 -27.688 163 HD1 TRP 20 HD1 TRP 20 -11.708 -3.745 -29.860 164 HE1 TRP 20 HE1 TRP 20 -12.245 -6.097 -30.756 165 HE3 TRP 20 HE3 TRP 20 -8.349 -6.447 -27.112 166 HZ2 TRP 20 HZ2 TRP 20 -11.362 -8.747 -30.351 167 HZ3 TRP 20 HZ3 TRP 20 -8.259 -8.885 -27.426 168 HH2 TRP 20 HH2 TRP 20 -9.736 -10.010 -29.012 169 H TRP 21 H TRP 21 -6.259 -2.563 -27.357 170 HA TRP 21 HA TRP 21 -5.102 -5.191 -28.018 171 HB2 TRP 21 2HB TRP 21 -3.771 -2.481 -27.991 172 HB3 TRP 21 3HB TRP 21 -2.864 -3.991 -27.974 173 HD1 TRP 21 HD1 TRP 21 -3.906 -1.497 -30.336 174 HE1 TRP 21 HE1 TRP 21 -4.039 -2.424 -32.733 175 HE3 TRP 21 HE3 TRP 21 -3.841 -6.498 -29.277 176 HZ2 TRP 21 HZ2 TRP 21 -4.108 -4.942 -34.007 177 HZ3 TRP 21 HZ3 TRP 21 -3.945 -8.100 -31.141 178 HH2 TRP 21 HH2 TRP 21 -4.076 -7.336 -33.457 179 HA PRO 22 HA PRO 22 -4.382 -5.795 -23.730 180 HB2 PRO 22 2HB PRO 22 -2.097 -7.261 -23.782 181 HB3 PRO 22 3HB PRO 22 -3.667 -7.911 -24.271 182 HG2 PRO 22 2HG PRO 22 -1.437 -6.864 -25.972 183 HG3 PRO 22 3HG PRO 22 -2.443 -8.305 -26.209 184 HD2 PRO 22 2HD PRO 22 -2.881 -5.987 -27.539 185 HD3 PRO 22 3HD PRO 22 -4.196 -7.091 -27.085 186 H GLY 23 H GLY 23 -3.272 -4.947 -21.997 187 HA2 GLY 23 2HA GLY 23 -0.674 -3.726 -22.344 188 HA3 GLY 23 3HA GLY 23 -1.982 -2.576 -22.113 189 H PHE 24 H PHE 24 0.436 -3.776 -20.498 190 HA PHE 24 HA PHE 24 -0.886 -4.699 -18.101 191 HB2 PHE 24 2HB PHE 24 1.999 -3.906 -18.166 192 HB3 PHE 24 3HB PHE 24 1.223 -5.223 -17.291 193 HD1 PHE 24 HD1 PHE 24 3.566 -4.723 -19.620 194 HD2 PHE 24 HD2 PHE 24 -0.145 -6.770 -19.227 195 HE1 PHE 24 HE1 PHE 24 4.248 -6.292 -21.388 196 HE2 PHE 24 HE2 PHE 24 0.531 -8.343 -20.994 197 HZ PHE 24 HZ PHE 24 2.731 -8.105 -22.077 198 H VAL 25 H VAL 25 -1.458 -3.513 -16.388 199 HA VAL 25 HA VAL 25 -1.176 -0.641 -16.521 200 HB VAL 25 HB VAL 25 -2.492 -2.378 -14.427 201 HG11 VAL 25 1HG1 VAL 25 -1.931 -0.320 -13.394 202 HG12 VAL 25 2HG1 VAL 25 -2.432 0.607 -14.809 203 HG13 VAL 25 3HG1 VAL 25 -3.639 -0.217 -13.820 204 HG21 VAL 25 3HG2 VAL 25 -4.234 -0.723 -16.036 205 HG22 VAL 25 1HG2 VAL 25 -3.294 -1.833 -17.033 206 HG23 VAL 25 2HG2 VAL 25 -4.300 -2.458 -15.727 207 H MET 26 H MET 26 0.544 0.382 -15.758 208 HA MET 26 HA MET 26 1.754 -0.552 -13.253 209 HB2 MET 26 2HB MET 26 3.354 0.319 -15.664 210 HB3 MET 26 3HB MET 26 3.996 -0.223 -14.120 211 HG2 MET 26 2HG MET 26 2.400 -2.319 -14.881 212 HG3 MET 26 3HG MET 26 3.074 -1.760 -16.410 213 HE1 MET 26 3HE MET 26 3.447 -3.555 -13.212 214 HE2 MET 26 1HE MET 26 5.160 -3.931 -13.018 215 HE3 MET 26 2HE MET 26 4.559 -2.323 -12.612 216 H ASP 27 H ASP 27 2.472 1.044 -11.898 217 HA ASP 27 HA ASP 27 1.563 3.730 -12.511 218 HB2 ASP 27 2HB ASP 27 1.748 2.198 -10.173 219 HB3 ASP 27 3HB ASP 27 2.944 3.476 -9.979 220 HA PRO 28 HA PRO 28 5.481 5.354 -13.670 221 HB2 PRO 28 2HB PRO 28 5.099 7.959 -13.009 222 HB3 PRO 28 3HB PRO 28 4.332 7.201 -14.409 223 HG2 PRO 28 2HG PRO 28 3.198 7.746 -11.693 224 HG3 PRO 28 3HG PRO 28 2.449 7.972 -13.284 225 HD2 PRO 28 2HD PRO 28 1.912 5.834 -11.712 226 HD3 PRO 28 3HD PRO 28 1.905 5.742 -13.485 227 H ASP 29 H ASP 29 4.228 6.231 -10.471 228 HA ASP 29 HA ASP 29 6.509 5.436 -9.074 229 HB2 ASP 29 2HB ASP 29 7.213 7.836 -8.369 230 HB3 ASP 29 3HB ASP 29 7.811 7.187 -9.893 231 H GLU 30 H GLU 30 3.905 4.989 -8.614 232 HA GLU 30 HA GLU 30 2.314 5.010 -6.989 233 HB2 GLU 30 2HB GLU 30 4.746 5.985 -5.628 234 HB3 GLU 30 3HB GLU 30 3.230 6.359 -4.821 235 HG2 GLU 30 2HG GLU 30 2.639 3.990 -4.828 236 HG3 GLU 30 3HG GLU 30 4.162 3.615 -5.633 237 H VAL 31 H VAL 31 1.177 6.467 -8.491 238 HA VAL 31 HA VAL 31 1.081 9.265 -7.627 239 HB VAL 31 HB VAL 31 -0.363 9.580 -9.655 240 HG11 VAL 31 1HG1 VAL 31 1.591 9.102 -11.279 241 HG12 VAL 31 2HG1 VAL 31 1.840 10.247 -9.959 242 HG13 VAL 31 3HG1 VAL 31 2.461 8.601 -9.829 243 HG21 VAL 31 3HG2 VAL 31 -0.471 6.789 -9.593 244 HG22 VAL 31 1HG2 VAL 31 -1.122 7.856 -10.838 245 HG23 VAL 31 2HG2 VAL 31 0.501 7.188 -11.010 246 H ARG 32 H ARG 32 -0.188 6.733 -6.366 247 HA ARG 32 HA ARG 32 -3.011 7.433 -6.462 248 HB2 ARG 32 2HB ARG 32 -1.488 5.212 -5.102 249 HB3 ARG 32 3HB ARG 32 -3.212 5.469 -4.868 250 HG2 ARG 32 2HG ARG 32 -2.042 5.121 -7.604 251 HG3 ARG 32 3HG ARG 32 -2.475 3.739 -6.596 252 HD2 ARG 32 2HD ARG 32 -4.393 5.967 -7.232 253 HD3 ARG 32 3HD ARG 32 -4.233 4.528 -8.238 254 HE ARG 32 HE ARG 32 -4.644 3.670 -5.627 255 HH11 ARG 32 1HH1 ARG 32 -6.356 5.449 -8.081 256 HH12 ARG 32 2HH1 ARG 32 -7.923 4.952 -7.533 257 HH21 ARG 32 2HH2 ARG 32 -8.118 3.565 -5.720 258 HH22 ARG 32 1HH2 ARG 32 -6.701 3.009 -4.895 259 H ASP 33 H ASP 33 -0.245 7.843 -4.414 260 HA ASP 33 HA ASP 33 -1.941 8.903 -2.261 261 HB2 ASP 33 2HB ASP 33 0.502 7.376 -2.291 262 HB3 ASP 33 3HB ASP 33 0.752 8.893 -1.430 263 H ILE 34 H ILE 34 0.642 9.717 -4.488 264 HA ILE 34 HA ILE 34 0.486 12.516 -3.578 265 HB ILE 34 HB ILE 34 2.775 11.157 -5.005 266 HG12 ILE 34 2HG1 ILE 34 3.659 12.124 -2.555 267 HG13 ILE 34 3HG1 ILE 34 2.079 11.440 -2.189 268 HG21 ILE 34 1HG2 ILE 34 2.816 13.396 -5.684 269 HG22 ILE 34 2HG2 ILE 34 2.325 13.979 -4.095 270 HG23 ILE 34 3HG2 ILE 34 3.946 13.327 -4.332 271 HD11 ILE 34 3HD1 ILE 34 2.982 9.428 -2.146 272 HD12 ILE 34 1HD1 ILE 34 3.436 9.597 -3.842 273 HD13 ILE 34 2HD1 ILE 34 4.552 10.108 -2.575 274 H THR 35 H THR 35 -0.799 13.633 -4.889 275 HA THR 35 HA THR 35 -0.878 12.978 -7.743 276 HB THR 35 HB THR 35 -2.842 14.547 -7.790 277 HG1 THR 35 HG1 THR 35 -3.679 15.233 -5.819 278 HG21 THR 35 3HG2 THR 35 -2.760 12.035 -6.181 279 HG22 THR 35 1HG2 THR 35 -3.532 12.350 -7.735 280 HG23 THR 35 2HG2 THR 35 -4.261 12.959 -6.249 281 H LEU 36 H LEU 36 0.729 13.983 -8.805 282 HA LEU 36 HA LEU 36 1.099 16.866 -8.322 283 HB2 LEU 36 2HB LEU 36 2.977 14.704 -8.484 284 HB3 LEU 36 3HB LEU 36 3.297 15.872 -9.764 285 HG LEU 36 HG LEU 36 2.989 17.453 -7.522 286 HD11 LEU 36 1HD1 LEU 36 3.041 15.323 -6.186 287 HD12 LEU 36 2HD1 LEU 36 4.271 16.514 -5.763 288 HD13 LEU 36 3HD1 LEU 36 4.703 15.108 -6.736 289 HD21 LEU 36 3HD2 LEU 36 5.655 17.230 -7.672 290 HD22 LEU 36 1HD2 LEU 36 4.693 18.127 -8.847 291 HD23 LEU 36 2HD2 LEU 36 5.213 16.480 -9.207 292 HA PRO 37 HA PRO 37 -0.125 17.721 -12.451 293 HB2 PRO 37 2HB PRO 37 1.419 19.882 -13.013 294 HB3 PRO 37 3HB PRO 37 0.040 19.947 -11.909 295 HG2 PRO 37 2HG PRO 37 2.958 19.714 -11.283 296 HG3 PRO 37 3HG PRO 37 1.723 20.718 -10.502 297 HD2 PRO 37 2HD PRO 37 2.581 18.378 -9.444 298 HD3 PRO 37 3HD PRO 37 0.919 18.967 -9.237 299 H GLU 38 H GLU 38 0.368 16.840 -14.359 300 HA GLU 38 HA GLU 38 2.944 16.996 -15.550 301 HB2 GLU 38 2HB GLU 38 3.451 15.241 -13.925 302 HB3 GLU 38 3HB GLU 38 2.084 14.296 -14.498 303 HG2 GLU 38 2HG GLU 38 3.462 13.290 -15.902 304 HG3 GLU 38 3HG GLU 38 3.601 14.816 -16.773 305 H GLY 39 H GLY 39 0.291 14.602 -15.551 306 HA2 GLY 39 2HA GLY 39 -1.411 15.068 -17.386 307 HA3 GLY 39 3HA GLY 39 -0.007 15.106 -18.443 308 H SER 40 H SER 40 0.934 12.877 -16.382 309 HA SER 40 HA SER 40 -0.594 10.668 -17.567 310 HB2 SER 40 2HB SER 40 1.848 9.546 -17.559 311 HB3 SER 40 3HB SER 40 1.203 10.407 -18.956 312 HG SER 40 HG SER 40 3.394 10.996 -18.140 313 H ASP 41 H ASP 41 -1.504 9.713 -15.870 314 HA ASP 41 HA ASP 41 0.053 9.426 -13.393 315 HB2 ASP 41 2HB ASP 41 -2.595 10.241 -13.843 316 HB3 ASP 41 3HB ASP 41 -2.715 8.623 -13.155 317 H VAL 42 H VAL 42 -1.581 7.666 -15.916 318 HA VAL 42 HA VAL 42 -0.837 5.132 -14.606 319 HB VAL 42 HB VAL 42 -2.995 5.608 -16.667 320 HG11 VAL 42 1HG1 VAL 42 -2.181 3.441 -17.060 321 HG12 VAL 42 2HG1 VAL 42 -1.975 3.114 -15.338 322 HG13 VAL 42 3HG1 VAL 42 -3.594 3.214 -16.030 323 HG21 VAL 42 3HG2 VAL 42 -4.476 5.829 -15.007 324 HG22 VAL 42 1HG2 VAL 42 -3.767 4.503 -14.085 325 HG23 VAL 42 2HG2 VAL 42 -3.084 6.125 -13.966 326 H TRP 43 H TRP 43 0.410 3.686 -15.686 327 HA TRP 43 HA TRP 43 1.352 4.493 -18.359 328 HB2 TRP 43 2HB TRP 43 2.868 4.227 -16.096 329 HB3 TRP 43 3HB TRP 43 3.053 2.639 -16.836 330 HD1 TRP 43 HD1 TRP 43 2.931 6.094 -18.597 331 HE1 TRP 43 HE1 TRP 43 5.080 6.347 -19.990 332 HE3 TRP 43 HE3 TRP 43 5.283 1.758 -17.255 333 HZ2 TRP 43 HZ2 TRP 43 7.457 4.899 -20.459 334 HZ3 TRP 43 HZ3 TRP 43 7.491 1.266 -18.222 335 HH2 TRP 43 HH2 TRP 43 8.554 2.805 -19.791 336 H VAL 44 H VAL 44 0.382 3.266 -19.840 337 HA VAL 44 HA VAL 44 -0.200 0.460 -19.242 338 HB VAL 44 HB VAL 44 -1.030 2.040 -21.677 339 HG11 VAL 44 1HG1 VAL 44 -2.597 -0.255 -20.682 340 HG12 VAL 44 2HG1 VAL 44 -2.228 0.240 -22.335 341 HG13 VAL 44 3HG1 VAL 44 -1.024 -0.631 -21.384 342 HG21 VAL 44 3HG2 VAL 44 -2.365 3.179 -20.292 343 HG22 VAL 44 1HG2 VAL 44 -3.277 1.678 -20.129 344 HG23 VAL 44 2HG2 VAL 44 -2.037 2.090 -18.945 345 H CYS 45 H CYS 45 1.357 -0.939 -19.727 346 HA CYS 45 HA CYS 45 3.140 -0.389 -21.983 347 HB2 CYS 45 2HB CYS 45 3.398 -2.599 -19.941 348 HB3 CYS 45 3HB CYS 45 4.639 -1.997 -21.034 349 HG CYS 45 HG CYS 45 5.599 -0.896 -18.846 350 H CYS 46 H CYS 46 2.063 -1.009 -23.797 351 HA CYS 46 HA CYS 46 0.528 -3.424 -23.931 352 HB2 CYS 46 2HB CYS 46 1.495 -1.560 -26.108 353 HB3 CYS 46 3HB CYS 46 0.374 -2.893 -26.358 354 HG CYS 46 HG CYS 46 -1.780 -1.690 -25.581 355 H LEU 47 H LEU 47 1.002 -4.961 -25.851 356 HA LEU 47 HA LEU 47 3.445 -6.280 -25.291 357 HB2 LEU 47 2HB LEU 47 2.625 -7.986 -26.529 358 HB3 LEU 47 3HB LEU 47 1.119 -7.108 -26.268 359 HG LEU 47 HG LEU 47 2.826 -7.002 -28.755 360 HD11 LEU 47 1HD1 LEU 47 1.103 -8.257 -29.815 361 HD12 LEU 47 2HD1 LEU 47 0.077 -8.173 -28.384 362 HD13 LEU 47 3HD1 LEU 47 1.562 -9.123 -28.349 363 HD21 LEU 47 3HD2 LEU 47 0.353 -5.958 -29.344 364 HD22 LEU 47 1HD2 LEU 47 1.827 -5.031 -29.070 365 HD23 LEU 47 2HD2 LEU 47 0.693 -5.293 -27.745 366 HA PRO 48 HA PRO 48 6.288 -4.548 -28.150 367 HB2 PRO 48 2HB PRO 48 7.684 -6.732 -28.958 368 HB3 PRO 48 3HB PRO 48 7.846 -6.031 -27.343 369 HG2 PRO 48 2HG PRO 48 6.243 -8.400 -28.227 370 HG3 PRO 48 3HG PRO 48 7.252 -8.208 -26.782 371 HD2 PRO 48 2HD PRO 48 4.555 -7.975 -26.716 372 HD3 PRO 48 3HD PRO 48 5.621 -7.046 -25.642 373 H ARG 49 H ARG 49 5.376 -3.743 -29.966 374 HA ARG 49 HA ARG 49 5.367 -5.380 -32.333 375 HB2 ARG 49 2HB ARG 49 3.061 -5.154 -32.909 376 HB3 ARG 49 3HB ARG 49 3.127 -5.812 -31.279 377 HG2 ARG 49 2HG ARG 49 1.579 -4.236 -30.878 378 HG3 ARG 49 3HG ARG 49 2.990 -3.191 -30.709 379 HD2 ARG 49 2HD ARG 49 2.779 -2.536 -33.059 380 HD3 ARG 49 3HD ARG 49 1.368 -3.580 -33.222 381 HE ARG 49 HE ARG 49 1.426 -0.954 -32.137 382 HH11 ARG 49 1HH1 ARG 49 -0.121 -4.056 -31.815 383 HH12 ARG 49 2HH1 ARG 49 -1.583 -3.405 -31.151 384 HH21 ARG 49 2HH2 ARG 49 -1.794 -1.145 -30.840 385 HH22 ARG 49 1HH2 ARG 49 -0.494 -0.084 -31.265 386 H ASP 50 H ASP 50 4.743 -2.309 -30.763 387 HA ASP 50 HA ASP 50 5.316 -0.924 -33.298 388 HB2 ASP 50 2HB ASP 50 3.306 -0.500 -31.323 389 HB3 ASP 50 3HB ASP 50 4.383 0.894 -31.307 390 H SER 51 H SER 51 7.062 -2.065 -30.985 391 HA SER 51 HA SER 51 9.130 -1.567 -30.163 392 HB2 SER 51 2HB SER 51 9.225 -0.280 -32.446 393 HB3 SER 51 3HB SER 51 9.080 1.152 -31.428 394 HG SER 51 HG SER 51 10.922 0.295 -30.248 395 H LEU 52 H LEU 52 7.514 -1.417 -28.263 396 HA LEU 52 HA LEU 52 7.059 -0.508 -26.229 397 HB2 LEU 52 2HB LEU 52 9.470 0.849 -27.122 398 HB3 LEU 52 3HB LEU 52 8.498 1.843 -26.039 399 HG LEU 52 HG LEU 52 8.613 0.114 -24.326 400 HD11 LEU 52 1HD1 LEU 52 10.101 -1.394 -26.452 401 HD12 LEU 52 2HD1 LEU 52 8.706 -1.908 -25.505 402 HD13 LEU 52 3HD1 LEU 52 10.287 -1.764 -24.737 403 HD21 LEU 52 3HD2 LEU 52 11.172 1.121 -25.519 404 HD22 LEU 52 1HD2 LEU 52 11.172 0.140 -24.053 405 HD23 LEU 52 2HD2 LEU 52 10.316 1.682 -24.082 406 H THR 53 H THR 53 4.944 -0.058 -27.151 407 HA THR 53 HA THR 53 4.449 2.728 -27.888 408 HB THR 53 HB THR 53 2.128 0.934 -27.760 409 HG1 THR 53 HG1 THR 53 4.437 0.245 -29.204 410 HG21 THR 53 3HG2 THR 53 1.916 3.055 -28.830 411 HG22 THR 53 1HG2 THR 53 1.864 1.831 -30.098 412 HG23 THR 53 2HG2 THR 53 3.338 2.762 -29.831 413 H LEU 54 H LEU 54 5.184 2.261 -25.203 414 HA LEU 54 HA LEU 54 3.134 1.934 -23.376 415 HB2 LEU 54 2HB LEU 54 5.340 3.948 -23.044 416 HB3 LEU 54 3HB LEU 54 4.504 3.035 -21.789 417 HG LEU 54 HG LEU 54 5.804 1.229 -23.603 418 HD11 LEU 54 1HD1 LEU 54 8.138 2.046 -22.621 419 HD12 LEU 54 2HD1 LEU 54 7.346 3.614 -22.765 420 HD13 LEU 54 3HD1 LEU 54 7.527 2.584 -24.185 421 HD21 LEU 54 3HD2 LEU 54 5.667 1.818 -20.711 422 HD22 LEU 54 1HD2 LEU 54 7.089 0.937 -21.270 423 HD23 LEU 54 2HD2 LEU 54 5.476 0.290 -21.572 424 H SER 55 H SER 55 1.333 3.021 -22.969 425 HA SER 55 HA SER 55 1.101 5.777 -23.973 426 HB2 SER 55 2HB SER 55 -0.714 3.483 -23.936 427 HB3 SER 55 3HB SER 55 -1.461 4.960 -23.328 428 HG SER 55 HG SER 55 -1.368 5.814 -25.263 429 H ALA 56 H ALA 56 1.150 7.347 -22.522 430 HA ALA 56 HA ALA 56 0.418 6.722 -19.738 431 HB1 ALA 56 1HB ALA 56 2.074 8.081 -18.981 432 HB2 ALA 56 2HB ALA 56 2.792 7.621 -20.525 433 HB3 ALA 56 3HB ALA 56 1.967 9.171 -20.364 434 H ALA 57 H ALA 57 -1.167 7.841 -18.749 435 HA ALA 57 HA ALA 57 -2.095 10.377 -19.782 436 HB1 ALA 57 1HB ALA 57 -4.345 9.708 -20.254 437 HB2 ALA 57 2HB ALA 57 -3.256 8.686 -21.192 438 HB3 ALA 57 3HB ALA 57 -4.016 8.056 -19.730 439 H ASN 58 H ASN 58 -3.141 11.589 -18.256 440 HA ASN 58 HA ASN 58 -3.505 10.322 -15.621 441 HB2 ASN 58 2HB ASN 58 -1.668 11.950 -15.643 442 HB3 ASN 58 3HB ASN 58 -2.763 13.188 -16.250 443 HD21 ASN 58 2HD2 ASN 58 -2.573 13.879 -12.722 444 HD22 ASN 58 1HD2 ASN 58 -1.630 14.039 -14.161 445 H SER 59 H SER 59 -5.626 9.930 -15.424 446 HA SER 59 HA SER 59 -7.883 10.232 -15.371 447 HB2 SER 59 2HB SER 59 -6.922 13.033 -14.769 448 HB3 SER 59 3HB SER 59 -8.621 12.565 -14.689 449 HG SER 59 HG SER 59 -7.304 12.437 -12.682 450 H GLU 60 H GLU 60 -6.579 10.398 -17.955 451 HA GLU 60 HA GLU 60 -8.474 12.164 -19.361 452 HB2 GLU 60 2HB GLU 60 -5.626 11.440 -19.952 453 HB3 GLU 60 3HB GLU 60 -6.704 11.890 -21.266 454 HG2 GLU 60 2HG GLU 60 -7.194 14.003 -19.994 455 HG3 GLU 60 3HG GLU 60 -5.878 13.558 -18.909 456 H ASP 61 H ASP 61 -7.132 8.974 -19.074 457 HA ASP 61 HA ASP 61 -8.438 7.989 -21.465 458 HB2 ASP 61 2HB ASP 61 -6.245 7.090 -20.740 459 HB3 ASP 61 3HB ASP 61 -7.006 6.462 -19.281 460 H GLU 62 H GLU 62 -10.588 7.819 -21.392 461 HA GLU 62 HA GLU 62 -11.770 6.226 -19.247 462 HB2 GLU 62 2HB GLU 62 -13.571 7.786 -18.864 463 HB3 GLU 62 3HB GLU 62 -12.040 8.610 -18.608 464 HG2 GLU 62 2HG GLU 62 -12.250 9.468 -20.972 465 HG3 GLU 62 3HG GLU 62 -13.904 8.859 -20.946 466 H GLY 63 H GLY 63 -11.205 6.352 -22.338 467 HA2 GLY 63 2HA GLY 63 -13.697 6.228 -23.645 468 HA3 GLY 63 3HA GLY 63 -12.198 5.526 -24.235 469 H GLN 64 H GLN 64 -11.906 3.361 -24.132 470 HA GLN 64 HA GLN 64 -13.943 1.792 -22.699 471 HB2 GLN 64 2HB GLN 64 -13.124 1.693 -25.541 472 HB3 GLN 64 3HB GLN 64 -13.332 0.139 -24.745 473 HG2 GLN 64 2HG GLN 64 -15.571 0.370 -24.563 474 HG3 GLN 64 3HG GLN 64 -15.485 2.119 -24.355 475 HE21 GLN 64 2HE2 GLN 64 -16.630 2.584 -27.571 476 HE22 GLN 64 1HE2 GLN 64 -16.704 2.971 -25.889 477 H ILE 65 H ILE 65 -13.121 0.399 -21.290 478 HA ILE 65 HA ILE 65 -10.491 -0.786 -21.798 479 HB ILE 65 HB ILE 65 -9.994 1.092 -20.358 480 HG12 ILE 65 2HG1 ILE 65 -9.935 -1.069 -18.337 481 HG13 ILE 65 3HG1 ILE 65 -9.226 -1.464 -19.899 482 HG21 ILE 65 1HG2 ILE 65 -12.520 0.511 -19.236 483 HG22 ILE 65 2HG2 ILE 65 -11.326 0.354 -17.949 484 HG23 ILE 65 3HG2 ILE 65 -11.444 1.857 -18.863 485 HD11 ILE 65 3HD1 ILE 65 -7.567 0.134 -19.689 486 HD12 ILE 65 1HD1 ILE 65 -8.459 1.046 -18.472 487 HD13 ILE 65 2HD1 ILE 65 -7.723 -0.501 -18.051 488 H ARG 66 H ARG 66 -10.218 -2.835 -20.983 489 HA ARG 66 HA ARG 66 -12.516 -3.995 -19.549 490 HB2 ARG 66 2HB ARG 66 -11.600 -4.640 -22.142 491 HB3 ARG 66 3HB ARG 66 -11.131 -5.977 -21.101 492 HG2 ARG 66 2HG ARG 66 -13.234 -6.581 -21.882 493 HG3 ARG 66 3HG ARG 66 -13.554 -5.931 -20.272 494 HD2 ARG 66 2HD ARG 66 -14.635 -4.104 -21.075 495 HD3 ARG 66 3HD ARG 66 -13.631 -4.013 -22.522 496 HE ARG 66 HE ARG 66 -15.125 -6.259 -22.890 497 HH11 ARG 66 1HH1 ARG 66 -15.854 -2.925 -22.199 498 HH12 ARG 66 2HH1 ARG 66 -17.378 -2.952 -23.023 499 HH21 ARG 66 2HH2 ARG 66 -18.103 -4.876 -24.033 500 HH22 ARG 66 1HH2 ARG 66 -17.130 -6.307 -23.977 501 H TYR 67 H TYR 67 -12.074 -5.556 -17.998 502 HA TYR 67 HA TYR 67 -9.336 -5.510 -16.990 503 HB2 TYR 67 2HB TYR 67 -11.755 -6.731 -15.660 504 HB3 TYR 67 3HB TYR 67 -10.231 -6.271 -14.909 505 HD1 TYR 67 HD1 TYR 67 -13.556 -5.303 -15.438 506 HD2 TYR 67 HD2 TYR 67 -9.623 -3.701 -15.172 507 HE1 TYR 67 HE1 TYR 67 -14.497 -3.096 -14.896 508 HE2 TYR 67 HE2 TYR 67 -10.553 -1.491 -14.628 509 HH TYR 67 HH TYR 67 -13.612 -0.599 -15.174 510 H PHE 68 H PHE 68 -8.002 -7.059 -17.624 511 HA PHE 68 HA PHE 68 -9.096 -9.713 -18.255 512 HB2 PHE 68 2HB PHE 68 -7.423 -8.111 -19.738 513 HB3 PHE 68 3HB PHE 68 -6.294 -9.216 -18.962 514 HD1 PHE 68 HD1 PHE 68 -9.493 -9.222 -20.868 515 HD2 PHE 68 HD2 PHE 68 -5.877 -11.263 -19.933 516 HE1 PHE 68 HE1 PHE 68 -10.034 -10.941 -22.544 517 HE2 PHE 68 HE2 PHE 68 -6.411 -12.984 -21.608 518 HZ PHE 68 HZ PHE 68 -8.492 -12.825 -22.916 519 H LEU 69 H LEU 69 -8.256 -11.561 -17.335 520 HA LEU 69 HA LEU 69 -5.943 -11.712 -15.762 521 HB2 LEU 69 2HB LEU 69 -8.198 -10.545 -14.447 522 HB3 LEU 69 3HB LEU 69 -7.838 -12.104 -13.709 523 HG LEU 69 HG LEU 69 -5.612 -10.164 -14.116 524 HD11 LEU 69 1HD1 LEU 69 -6.099 -8.951 -12.151 525 HD12 LEU 69 2HD1 LEU 69 -7.435 -10.022 -11.730 526 HD13 LEU 69 3HD1 LEU 69 -7.579 -8.936 -13.111 527 HD21 LEU 69 3HD2 LEU 69 -4.544 -11.405 -12.549 528 HD22 LEU 69 1HD2 LEU 69 -5.662 -12.642 -13.124 529 HD23 LEU 69 2HD2 LEU 69 -6.023 -11.745 -11.648 530 HA PRO 70 HA PRO 70 -8.605 -15.659 -14.981 531 HB2 PRO 70 2HB PRO 70 -11.185 -15.624 -15.825 532 HB3 PRO 70 3HB PRO 70 -10.694 -15.090 -14.213 533 HG2 PRO 70 2HG PRO 70 -11.289 -13.456 -16.650 534 HG3 PRO 70 3HG PRO 70 -11.767 -13.170 -14.967 535 HD2 PRO 70 2HD PRO 70 -9.692 -11.878 -16.131 536 HD3 PRO 70 3HD PRO 70 -9.716 -12.283 -14.402 537 H ASP 71 H ASP 71 -8.680 -13.795 -17.852 538 HA ASP 71 HA ASP 71 -8.621 -14.302 -20.074 539 HB2 ASP 71 2HB ASP 71 -7.474 -16.982 -19.373 540 HB3 ASP 71 3HB ASP 71 -7.027 -15.887 -20.678 541 H ARG 72 H ARG 72 -11.044 -15.006 -18.692 542 HA ARG 72 HA ARG 72 -11.985 -17.126 -20.496 543 HB2 ARG 72 2HB ARG 72 -13.268 -18.171 -18.798 544 HB3 ARG 72 3HB ARG 72 -11.662 -17.941 -18.120 545 HG2 ARG 72 2HG ARG 72 -12.665 -15.745 -17.162 546 HG3 ARG 72 3HG ARG 72 -14.212 -16.542 -17.458 547 HD2 ARG 72 2HD ARG 72 -12.028 -17.966 -15.989 548 HD3 ARG 72 3HD ARG 72 -13.057 -16.806 -15.149 549 HE ARG 72 HE ARG 72 -14.688 -18.599 -16.552 550 HH11 ARG 72 1HH1 ARG 72 -12.506 -18.543 -13.840 551 HH12 ARG 72 2HH1 ARG 72 -13.303 -19.835 -13.005 552 HH21 ARG 72 2HH2 ARG 72 -15.145 -20.835 -13.929 553 HH22 ARG 72 1HH2 ARG 72 -15.746 -20.301 -15.463 554 H ASP 73 H ASP 73 -12.093 -14.106 -20.385 555 HA ASP 73 HA ASP 73 -14.970 -13.652 -20.142 556 HB2 ASP 73 2HB ASP 73 -13.212 -12.064 -19.180 557 HB3 ASP 73 3HB ASP 73 -12.883 -11.591 -20.845 558 H GLU 74 H GLU 74 -14.005 -15.314 -22.276 559 HA GLU 74 HA GLU 74 -14.311 -15.648 -24.505 560 HB2 GLU 74 2HB GLU 74 -16.001 -13.147 -24.433 561 HB3 GLU 74 3HB GLU 74 -16.091 -14.460 -25.598 562 HG2 GLU 74 2HG GLU 74 -16.650 -15.932 -23.558 563 HG3 GLU 74 3HG GLU 74 -16.996 -14.404 -22.750 564 H GLY 75 H GLY 75 -11.971 -14.351 -23.828 565 HA2 GLY 75 2HA GLY 75 -11.545 -12.734 -26.243 566 HA3 GLY 75 3HA GLY 75 -11.038 -12.082 -24.692 567 H MET 76 H MET 76 -10.140 -14.567 -23.579 568 HA MET 76 HA MET 76 -7.477 -14.559 -24.268 569 HB2 MET 76 2HB MET 76 -8.247 -15.618 -22.238 570 HB3 MET 76 3HB MET 76 -9.135 -16.827 -23.156 571 HG2 MET 76 2HG MET 76 -6.236 -16.638 -23.677 572 HG3 MET 76 3HG MET 76 -6.722 -17.258 -22.101 573 HE1 MET 76 3HE MET 76 -5.221 -18.968 -22.845 574 HE2 MET 76 1HE MET 76 -6.202 -20.421 -22.654 575 HE3 MET 76 2HE MET 76 -5.428 -20.077 -24.200 576 H MET 77 H MET 77 -10.121 -16.254 -25.794 577 HA MET 77 HA MET 77 -8.661 -18.130 -27.282 578 HB2 MET 77 2HB MET 77 -10.639 -18.163 -28.787 579 HB3 MET 77 3HB MET 77 -11.057 -18.320 -27.086 580 HG2 MET 77 2HG MET 77 -12.574 -16.748 -27.523 581 HG3 MET 77 3HG MET 77 -11.214 -15.632 -27.430 582 HE1 MET 77 3HE MET 77 -14.222 -16.353 -29.248 583 HE2 MET 77 1HE MET 77 -13.853 -16.462 -30.969 584 HE3 MET 77 2HE MET 77 -13.442 -17.798 -29.894 585 H GLU 78 H GLU 78 -9.549 -14.778 -27.975 586 HA GLU 78 HA GLU 78 -8.188 -14.878 -30.546 587 HB2 GLU 78 2HB GLU 78 -10.291 -13.675 -30.457 588 HB3 GLU 78 3HB GLU 78 -9.693 -12.659 -29.153 589 HG2 GLU 78 2HG GLU 78 -8.588 -11.299 -30.545 590 HG3 GLU 78 3HG GLU 78 -8.047 -12.624 -31.575 591 H GLU 79 H GLU 79 -7.563 -13.977 -27.301 592 HA GLU 79 HA GLU 79 -5.226 -12.384 -28.089 593 HB2 GLU 79 2HB GLU 79 -7.127 -12.064 -26.046 594 HB3 GLU 79 3HB GLU 79 -5.644 -12.549 -25.236 595 HG2 GLU 79 2HG GLU 79 -5.045 -10.571 -27.209 596 HG3 GLU 79 3HG GLU 79 -6.354 -10.001 -26.175 597 H GLY 80 H GLY 80 -5.584 -15.411 -28.090 598 HA2 GLY 80 2HA GLY 80 -2.953 -16.021 -27.145 599 HA3 GLY 80 3HA GLY 80 -4.193 -16.690 -26.094 600 H LYS 81 H LYS 81 -6.110 -17.281 -28.106 601 HA LYS 81 HA LYS 81 -4.821 -19.637 -29.273 602 HB2 LYS 81 2HB LYS 81 -7.134 -19.421 -27.859 603 HB3 LYS 81 3HB LYS 81 -7.747 -19.335 -29.505 604 HG2 LYS 81 2HG LYS 81 -6.267 -21.438 -29.883 605 HG3 LYS 81 3HG LYS 81 -6.338 -21.573 -28.125 606 HD2 LYS 81 2HD LYS 81 -8.912 -21.083 -29.478 607 HD3 LYS 81 3HD LYS 81 -8.166 -22.651 -29.795 608 HE2 LYS 81 2HE LYS 81 -8.024 -23.083 -27.405 609 HE3 LYS 81 3HE LYS 81 -8.706 -21.495 -27.060 610 HZ1 LYS 81 3HZ LYS 81 -10.242 -23.537 -27.042 611 HZ2 LYS 81 1HZ LYS 81 -10.188 -23.420 -28.729 612 HZ3 LYS 81 2HZ LYS 81 -10.781 -22.129 -27.810 613 H LEU 82 H LEU 82 -4.827 -16.772 -30.327 614 HA LEU 82 HA LEU 82 -5.575 -17.494 -33.070 615 HB2 LEU 82 2HB LEU 82 -7.354 -16.089 -32.060 616 HB3 LEU 82 3HB LEU 82 -6.157 -14.821 -31.804 617 HG LEU 82 HG LEU 82 -5.969 -15.366 -34.512 618 HD11 LEU 82 1HD1 LEU 82 -8.472 -14.967 -35.099 619 HD12 LEU 82 2HD1 LEU 82 -8.767 -15.741 -33.543 620 HD13 LEU 82 3HD1 LEU 82 -7.888 -16.605 -34.805 621 HD21 LEU 82 3HD2 LEU 82 -6.499 -13.158 -34.741 622 HD22 LEU 82 1HD2 LEU 82 -6.135 -13.197 -33.015 623 HD23 LEU 82 2HD2 LEU 82 -7.811 -13.234 -33.564 624 H ASP 83 H ASP 83 -3.889 -15.136 -31.014 625 HA ASP 83 HA ASP 83 -1.847 -14.892 -33.126 626 HB2 ASP 83 2HB ASP 83 -2.874 -12.868 -31.143 627 HB3 ASP 83 3HB ASP 83 -1.330 -12.664 -31.966 628 H ALA 84 H ALA 84 0.337 -14.836 -32.504 629 HA ALA 84 HA ALA 84 0.913 -16.392 -30.141 630 HB1 ALA 84 1HB ALA 84 3.096 -16.630 -30.992 631 HB2 ALA 84 2HB ALA 84 2.033 -16.676 -32.399 632 HB3 ALA 84 3HB ALA 84 2.935 -15.208 -32.024 633 H SER 85 H SER 85 1.318 -13.078 -31.227 634 HA SER 85 HA SER 85 3.086 -12.220 -29.205 635 HB2 SER 85 2HB SER 85 1.016 -10.452 -30.502 636 HB3 SER 85 3HB SER 85 2.627 -10.015 -29.930 637 HG SER 85 HG SER 85 3.237 -10.389 -31.898 638 H CYS 86 H CYS 86 -0.434 -12.374 -29.381 639 HA CYS 86 HA CYS 86 -0.927 -10.993 -26.954 640 HB2 CYS 86 2HB CYS 86 -2.671 -13.022 -28.368 641 HB3 CYS 86 3HB CYS 86 -3.200 -11.883 -27.136 642 HG CYS 86 HG CYS 86 -4.135 -10.998 -29.610 643 H ALA 87 H ALA 87 -0.792 -14.453 -27.759 644 HA ALA 87 HA ALA 87 -1.364 -15.439 -25.201 645 HB1 ALA 87 1HB ALA 87 0.421 -17.236 -26.446 646 HB2 ALA 87 2HB ALA 87 -1.339 -17.325 -26.367 647 HB3 ALA 87 3HB ALA 87 -0.557 -16.506 -27.720 648 H VAL 88 H VAL 88 1.698 -14.515 -26.702 649 HA VAL 88 HA VAL 88 3.366 -15.438 -24.604 650 HB VAL 88 HB VAL 88 3.842 -13.350 -26.731 651 HG11 VAL 88 1HG1 VAL 88 5.386 -12.743 -25.109 652 HG12 VAL 88 2HG1 VAL 88 5.627 -14.407 -24.573 653 HG13 VAL 88 3HG1 VAL 88 6.298 -13.869 -26.113 654 HG21 VAL 88 3HG2 VAL 88 3.535 -15.969 -27.118 655 HG22 VAL 88 1HG2 VAL 88 4.682 -15.002 -28.045 656 HG23 VAL 88 2HG2 VAL 88 5.242 -15.961 -26.676 657 H ALA 89 H ALA 89 1.986 -12.258 -25.364 658 HA ALA 89 HA ALA 89 3.202 -10.799 -23.316 659 HB1 ALA 89 1HB ALA 89 1.754 -10.022 -25.328 660 HB2 ALA 89 2HB ALA 89 0.413 -10.182 -24.193 661 HB3 ALA 89 3HB ALA 89 1.746 -9.084 -23.834 662 H ILE 90 H ILE 90 0.122 -12.564 -23.348 663 HA ILE 90 HA ILE 90 -0.650 -11.867 -20.720 664 HB ILE 90 HB ILE 90 -1.438 -14.270 -22.370 665 HG12 ILE 90 2HG1 ILE 90 -2.957 -11.701 -21.902 666 HG13 ILE 90 3HG1 ILE 90 -1.941 -11.980 -23.312 667 HG21 ILE 90 1HG2 ILE 90 -3.526 -13.871 -20.735 668 HG22 ILE 90 2HG2 ILE 90 -2.200 -14.972 -20.362 669 HG23 ILE 90 3HG2 ILE 90 -2.216 -13.347 -19.677 670 HD11 ILE 90 3HD1 ILE 90 -3.447 -14.131 -23.532 671 HD12 ILE 90 1HD1 ILE 90 -4.575 -13.140 -22.608 672 HD13 ILE 90 2HD1 ILE 90 -3.963 -12.566 -24.160 673 H GLU 91 H GLU 91 0.958 -14.754 -22.033 674 HA GLU 91 HA GLU 91 1.162 -16.206 -19.666 675 HB2 GLU 91 2HB GLU 91 2.534 -16.206 -22.280 676 HB3 GLU 91 3HB GLU 91 3.437 -16.931 -20.958 677 HG2 GLU 91 2HG GLU 91 2.116 -18.730 -20.876 678 HG3 GLU 91 3HG GLU 91 0.646 -17.785 -21.106 679 H GLU 92 H GLU 92 3.191 -13.633 -20.947 680 HA GLU 92 HA GLU 92 5.259 -13.913 -19.004 681 HB2 GLU 92 2HB GLU 92 5.421 -12.776 -21.284 682 HB3 GLU 92 3HB GLU 92 4.612 -11.403 -20.542 683 HG2 GLU 92 2HG GLU 92 6.413 -10.870 -19.228 684 HG3 GLU 92 3HG GLU 92 7.053 -12.513 -19.251 685 H ALA 93 H ALA 93 2.461 -11.756 -19.329 686 HA ALA 93 HA ALA 93 2.915 -10.144 -17.104 687 HB1 ALA 93 1HB ALA 93 0.424 -10.967 -18.549 688 HB2 ALA 93 2HB ALA 93 0.348 -9.937 -17.119 689 HB3 ALA 93 3HB ALA 93 1.243 -9.405 -18.542 690 H ILE 94 H ILE 94 1.224 -13.248 -17.352 691 HA ILE 94 HA ILE 94 0.498 -13.308 -14.583 692 HB ILE 94 HB ILE 94 -0.195 -15.617 -14.997 693 HG12 ILE 94 2HG1 ILE 94 1.049 -15.194 -17.722 694 HG13 ILE 94 3HG1 ILE 94 1.602 -16.318 -16.485 695 HG21 ILE 94 1HG2 ILE 94 -1.269 -13.329 -16.115 696 HG22 ILE 94 2HG2 ILE 94 -1.264 -14.486 -17.445 697 HG23 ILE 94 3HG2 ILE 94 -2.080 -14.884 -15.933 698 HD11 ILE 94 3HD1 ILE 94 0.444 -17.755 -17.793 699 HD12 ILE 94 1HD1 ILE 94 -0.872 -17.225 -16.745 700 HD13 ILE 94 2HD1 ILE 94 -0.683 -16.518 -18.350 701 H GLN 95 H GLN 95 3.151 -14.551 -16.513 702 HA GLN 95 HA GLN 95 4.231 -16.307 -14.586 703 HB2 GLN 95 2HB GLN 95 4.869 -16.448 -16.927 704 HB3 GLN 95 3HB GLN 95 5.573 -14.837 -16.860 705 HG2 GLN 95 2HG GLN 95 7.282 -15.601 -15.341 706 HG3 GLN 95 3HG GLN 95 6.543 -17.200 -15.269 707 HE21 GLN 95 2HE2 GLN 95 8.313 -18.383 -17.971 708 HE22 GLN 95 1HE2 GLN 95 7.414 -18.674 -16.525 709 H LEU 96 H LEU 96 4.501 -12.864 -15.081 710 HA LEU 96 HA LEU 96 6.666 -12.597 -13.166 711 HB2 LEU 96 2HB LEU 96 5.071 -10.597 -14.752 712 HB3 LEU 96 3HB LEU 96 6.310 -10.139 -13.585 713 HG LEU 96 HG LEU 96 7.070 -12.004 -15.774 714 HD11 LEU 96 1HD1 LEU 96 7.648 -9.815 -17.060 715 HD12 LEU 96 2HD1 LEU 96 6.315 -9.138 -16.126 716 HD13 LEU 96 3HD1 LEU 96 6.035 -10.515 -17.192 717 HD21 LEU 96 3HD2 LEU 96 8.341 -10.094 -13.922 718 HD22 LEU 96 1HD2 LEU 96 9.030 -10.177 -15.543 719 HD23 LEU 96 2HD2 LEU 96 8.930 -11.633 -14.553 720 H TYR 97 H TYR 97 3.223 -11.799 -13.398 721 HA TYR 97 HA TYR 97 2.960 -10.473 -10.950 722 HB2 TYR 97 2HB TYR 97 1.214 -10.439 -12.665 723 HB3 TYR 97 3HB TYR 97 0.925 -12.159 -12.425 724 HD1 TYR 97 HD1 TYR 97 0.257 -8.812 -11.214 725 HD2 TYR 97 HD2 TYR 97 -0.082 -12.951 -10.290 726 HE1 TYR 97 HE1 TYR 97 -1.404 -8.282 -9.480 727 HE2 TYR 97 HE2 TYR 97 -1.745 -12.433 -8.554 728 HH TYR 97 HH TYR 97 -2.555 -10.691 -7.242 729 H GLU 98 H GLU 98 2.749 -13.910 -11.753 730 HA GLU 98 HA GLU 98 2.184 -14.627 -9.001 731 HB2 GLU 98 2HB GLU 98 1.419 -15.788 -11.274 732 HB3 GLU 98 3HB GLU 98 2.916 -16.678 -11.032 733 HG2 GLU 98 2HG GLU 98 1.073 -17.906 -10.097 734 HG3 GLU 98 3HG GLU 98 2.137 -17.354 -8.805 735 H GLU 99 H GLU 99 4.866 -13.579 -10.405 736 HA GLU 99 HA GLU 99 6.634 -15.501 -9.045 737 HB2 GLU 99 2HB GLU 99 7.182 -15.380 -11.369 738 HB3 GLU 99 3HB GLU 99 7.142 -13.623 -11.350 739 HG2 GLU 99 2HG GLU 99 9.168 -13.465 -10.215 740 HG3 GLU 99 3HG GLU 99 9.100 -15.141 -9.674 741 H GLN 100 H GLN 100 5.549 -12.230 -9.147 742 HA GLN 100 HA GLN 100 7.630 -11.423 -7.234 743 HB2 GLN 100 2HB GLN 100 5.989 -9.949 -9.236 744 HB3 GLN 100 3HB GLN 100 6.462 -9.095 -7.773 745 HG2 GLN 100 2HG GLN 100 8.486 -10.546 -9.430 746 HG3 GLN 100 3HG GLN 100 7.957 -8.918 -9.852 747 HE21 GLN 100 2HE2 GLN 100 9.375 -7.453 -6.895 748 HE22 GLN 100 1HE2 GLN 100 7.940 -7.411 -7.857 749 H LEU 101 H LEU 101 4.195 -11.823 -7.679 750 HA LEU 101 HA LEU 101 3.505 -10.531 -5.191 751 HB2 LEU 101 2HB LEU 101 2.009 -10.517 -7.159 752 HB3 LEU 101 3HB LEU 101 1.821 -12.262 -6.997 753 HG LEU 101 HG LEU 101 1.137 -11.032 -4.514 754 HD11 LEU 101 1HD1 LEU 101 0.140 -9.658 -6.952 755 HD12 LEU 101 2HD1 LEU 101 0.500 -9.009 -5.352 756 HD13 LEU 101 3HD1 LEU 101 -0.985 -9.922 -5.619 757 HD21 LEU 101 3HD2 LEU 101 -0.802 -12.211 -6.467 758 HD22 LEU 101 1HD2 LEU 101 -0.773 -12.335 -4.708 759 HD23 LEU 101 2HD2 LEU 101 0.407 -13.223 -5.673 760 H LYS 102 H LYS 102 4.309 -13.712 -6.276 761 HA LYS 102 HA LYS 102 3.278 -14.963 -3.852 762 HB2 LYS 102 2HB LYS 102 2.897 -16.245 -5.819 763 HB3 LYS 102 3HB LYS 102 4.561 -16.051 -6.354 764 HG2 LYS 102 2HG LYS 102 4.129 -17.396 -3.753 765 HG3 LYS 102 3HG LYS 102 3.667 -18.276 -5.212 766 HD2 LYS 102 2HD LYS 102 6.280 -16.968 -5.386 767 HD3 LYS 102 3HD LYS 102 6.181 -18.209 -4.135 768 HE2 LYS 102 2HE LYS 102 4.907 -19.169 -6.502 769 HE3 LYS 102 3HE LYS 102 6.501 -18.546 -6.926 770 HZ1 LYS 102 3HZ LYS 102 7.501 -20.236 -5.902 771 HZ2 LYS 102 1HZ LYS 102 5.993 -21.003 -5.907 772 HZ3 LYS 102 2HZ LYS 102 6.501 -20.146 -4.540 773 H ALA 103 H ALA 103 6.244 -13.813 -5.211 774 HA ALA 103 HA ALA 103 7.996 -15.302 -3.510 775 HB1 ALA 103 1HB ALA 103 9.735 -13.772 -4.328 776 HB2 ALA 103 2HB ALA 103 8.779 -14.454 -5.644 777 HB3 ALA 103 3HB ALA 103 8.493 -12.797 -5.113 778 H GLN 104 H GLN 104 6.322 -12.244 -3.298 779 HA GLN 104 HA GLN 104 7.719 -11.603 -0.802 780 HB2 GLN 104 2HB GLN 104 5.736 -9.852 -2.244 781 HB3 GLN 104 3HB GLN 104 6.924 -9.376 -1.038 782 HG2 GLN 104 2HG GLN 104 8.724 -9.785 -2.583 783 HG3 GLN 104 3HG GLN 104 7.593 -10.409 -3.783 784 HE21 GLN 104 2HE2 GLN 104 7.018 -7.316 -5.174 785 HE22 GLN 104 1HE2 GLN 104 7.007 -9.039 -5.295 786 H ALA 105 H ALA 105 5.535 -13.661 -1.268 787 HA ALA 105 HA ALA 105 3.699 -12.680 0.820 788 HB1 ALA 105 1HB ALA 105 2.024 -14.290 -0.221 789 HB2 ALA 105 2HB ALA 105 2.376 -12.810 -1.115 790 HB3 ALA 105 3HB ALA 105 3.105 -14.336 -1.614 791 H GLY 106 H GLY 106 6.252 -14.256 0.936 792 HA2 GLY 106 2HA GLY 106 6.987 -15.852 2.449 793 HA3 GLY 106 3HA GLY 106 5.311 -16.230 2.817 794 H GLY 107 H GLY 107 7.091 -16.325 -0.263 795 HA2 GLY 107 2HA GLY 107 6.094 -19.051 -0.659 796 HA3 GLY 107 3HA GLY 107 6.769 -18.005 -1.900 797 H THR 108 H THR 108 8.490 -18.171 1.062 798 HA THR 108 HA THR 108 10.480 -19.101 1.667 799 HB THR 108 HB THR 108 10.270 -21.189 -0.469 800 HG1 THR 108 HG1 THR 108 8.653 -22.203 0.574 801 HG21 THR 108 3HG2 THR 108 11.345 -22.578 1.122 802 HG22 THR 108 1HG2 THR 108 11.002 -21.459 2.440 803 HG23 THR 108 2HG2 THR 108 12.176 -21.024 1.198 804 H ASN 109 H ASN 109 11.013 -16.987 0.393 805 HA ASN 109 HA ASN 109 12.398 -15.847 -1.013 806 HB2 ASN 109 2HB ASN 109 14.000 -18.413 -0.924 807 HB3 ASN 109 3HB ASN 109 14.611 -16.815 -1.340 808 HD21 ASN 109 2HD2 ASN 109 14.500 -15.617 2.022 809 HD22 ASN 109 1HD2 ASN 109 14.184 -15.128 0.396 810 H GLU 110 H GLU 110 10.248 -17.383 -2.234 811 HA GLU 110 HA GLU 110 11.323 -17.464 -4.949 812 HB2 GLU 110 2HB GLU 110 10.626 -19.796 -3.476 813 HB3 GLU 110 3HB GLU 110 9.411 -19.571 -4.727 814 HG2 GLU 110 2HG GLU 110 12.364 -19.545 -5.278 815 HG3 GLU 110 3HG GLU 110 11.375 -21.003 -5.349 Start of MODEL 4 1 H1 MET 1 H MET 1 1.258 1.940 -0.107 2 HA MET 1 HA MET 1 2.817 1.155 -1.564 3 HB2 MET 1 2HB MET 1 2.342 -1.429 -0.068 4 HB3 MET 1 3HB MET 1 3.693 -1.122 -1.151 5 HG2 MET 1 2HG MET 1 3.121 0.422 1.368 6 HG3 MET 1 3HG MET 1 4.278 -0.900 1.229 7 HE1 MET 1 3HE MET 1 7.387 0.694 0.500 8 HE2 MET 1 1HE MET 1 6.537 0.953 2.024 9 HE3 MET 1 2HE MET 1 6.403 -0.596 1.192 10 H ILE 2 H ILE 2 0.057 1.138 -2.384 11 HA ILE 2 HA ILE 2 0.170 -1.020 -4.387 12 HB ILE 2 HB ILE 2 -2.358 -0.898 -4.415 13 HG12 ILE 2 2HG1 ILE 2 -2.258 0.125 -1.621 14 HG13 ILE 2 3HG1 ILE 2 -2.117 1.306 -2.919 15 HG21 ILE 2 1HG2 ILE 2 -0.956 -2.685 -3.322 16 HG22 ILE 2 2HG2 ILE 2 -1.223 -1.846 -1.795 17 HG23 ILE 2 3HG2 ILE 2 -2.592 -2.505 -2.690 18 HD11 ILE 2 3HD1 ILE 2 -4.400 -0.533 -2.305 19 HD12 ILE 2 1HD1 ILE 2 -4.391 1.228 -2.403 20 HD13 ILE 2 2HD1 ILE 2 -4.232 0.262 -3.870 21 HA PRO 3 HA PRO 3 0.086 3.140 -6.467 22 HB2 PRO 3 2HB PRO 3 2.082 2.569 -8.217 23 HB3 PRO 3 3HB PRO 3 2.379 3.216 -6.599 24 HG2 PRO 3 2HG PRO 3 2.548 0.389 -7.569 25 HG3 PRO 3 3HG PRO 3 3.651 1.272 -6.498 26 HD2 PRO 3 2HD PRO 3 1.801 -0.472 -5.567 27 HD3 PRO 3 3HD PRO 3 2.307 0.963 -4.651 28 H SER 4 H SER 4 -1.050 3.562 -8.291 29 HA SER 4 HA SER 4 -2.422 3.192 -10.069 30 HB2 SER 4 2HB SER 4 -1.433 2.209 -11.932 31 HB3 SER 4 3HB SER 4 -0.024 2.622 -10.955 32 HG SER 4 HG SER 4 0.426 0.579 -11.154 33 H PHE 5 H PHE 5 -2.930 1.698 -7.638 34 HA PHE 5 HA PHE 5 -4.170 -0.039 -6.836 35 HB2 PHE 5 2HB PHE 5 -5.407 0.266 -9.579 36 HB3 PHE 5 3HB PHE 5 -6.112 -0.680 -8.272 37 HD1 PHE 5 HD1 PHE 5 -7.539 0.323 -6.748 38 HD2 PHE 5 HD2 PHE 5 -4.969 2.754 -9.115 39 HE1 PHE 5 HE1 PHE 5 -8.667 2.338 -5.897 40 HE2 PHE 5 HE2 PHE 5 -6.092 4.773 -8.268 41 HZ PHE 5 HZ PHE 5 -7.943 4.566 -6.656 42 H ALA 6 H ALA 6 -2.500 -1.564 -6.666 43 HA ALA 6 HA ALA 6 -1.542 -3.608 -6.967 44 HB1 ALA 6 1HB ALA 6 -2.815 -5.318 -7.865 45 HB2 ALA 6 2HB ALA 6 -4.042 -4.138 -7.401 46 HB3 ALA 6 3HB ALA 6 -3.543 -4.275 -9.087 47 HA PRO 7 HA PRO 7 0.695 -2.029 -10.664 48 HB2 PRO 7 2HB PRO 7 3.157 -2.316 -9.556 49 HB3 PRO 7 3HB PRO 7 2.149 -0.886 -9.301 50 HG2 PRO 7 2HG PRO 7 2.554 -3.261 -7.523 51 HG3 PRO 7 3HG PRO 7 2.491 -1.541 -7.096 52 HD2 PRO 7 2HD PRO 7 0.384 -3.206 -6.751 53 HD3 PRO 7 3HD PRO 7 0.187 -1.485 -7.140 54 H GLY 8 H GLY 8 0.890 -3.476 -12.251 55 HA2 GLY 8 2HA GLY 8 2.326 -5.214 -13.195 56 HA3 GLY 8 3HA GLY 8 2.240 -6.031 -11.642 57 H THR 9 H THR 9 -0.610 -4.571 -12.965 58 HA THR 9 HA THR 9 -1.737 -7.252 -13.367 59 HB THR 9 HB THR 9 -3.348 -4.713 -13.242 60 HG1 THR 9 HG1 THR 9 -2.154 -6.175 -11.149 61 HG21 THR 9 3HG2 THR 9 -3.893 -7.553 -13.410 62 HG22 THR 9 1HG2 THR 9 -4.985 -6.185 -13.625 63 HG23 THR 9 2HG2 THR 9 -4.679 -6.824 -12.010 64 H LEU 10 H LEU 10 -2.387 -7.934 -15.318 65 HA LEU 10 HA LEU 10 -2.003 -6.134 -17.586 66 HB2 LEU 10 2HB LEU 10 -0.937 -8.383 -17.539 67 HB3 LEU 10 3HB LEU 10 -2.546 -9.099 -17.581 68 HG LEU 10 HG LEU 10 -1.690 -7.230 -19.755 69 HD11 LEU 10 1HD1 LEU 10 0.106 -8.618 -20.000 70 HD12 LEU 10 2HD1 LEU 10 -1.099 -9.517 -20.922 71 HD13 LEU 10 3HD1 LEU 10 -0.715 -9.997 -19.269 72 HD21 LEU 10 3HD2 LEU 10 -3.156 -8.924 -21.019 73 HD22 LEU 10 1HD2 LEU 10 -3.944 -7.786 -19.926 74 HD23 LEU 10 2HD2 LEU 10 -3.673 -9.453 -19.417 75 H VAL 11 H VAL 11 -3.691 -5.077 -18.368 76 HA VAL 11 HA VAL 11 -6.341 -6.366 -18.247 77 HB VAL 11 HB VAL 11 -7.374 -4.185 -18.038 78 HG11 VAL 11 1HG1 VAL 11 -7.071 -4.036 -15.806 79 HG12 VAL 11 2HG1 VAL 11 -6.113 -5.497 -16.054 80 HG13 VAL 11 3HG1 VAL 11 -5.317 -3.927 -15.942 81 HG21 VAL 11 3HG2 VAL 11 -6.136 -2.598 -19.114 82 HG22 VAL 11 1HG2 VAL 11 -5.626 -2.281 -17.456 83 HG23 VAL 11 2HG2 VAL 11 -4.601 -3.237 -18.526 84 H TRP 12 H TRP 12 -7.861 -4.986 -19.845 85 HA TRP 12 HA TRP 12 -6.451 -4.929 -22.433 86 HB2 TRP 12 2HB TRP 12 -9.115 -6.033 -21.641 87 HB3 TRP 12 3HB TRP 12 -8.906 -5.406 -23.274 88 HD1 TRP 12 HD1 TRP 12 -5.953 -7.168 -21.661 89 HE1 TRP 12 HE1 TRP 12 -5.569 -9.419 -22.849 90 HE3 TRP 12 HE3 TRP 12 -10.174 -7.297 -24.543 91 HZ2 TRP 12 HZ2 TRP 12 -6.881 -11.035 -24.755 92 HZ3 TRP 12 HZ3 TRP 12 -10.534 -9.230 -26.022 93 HH2 TRP 12 HH2 TRP 12 -8.920 -11.059 -26.125 94 H LEU 13 H LEU 13 -6.629 -3.149 -23.665 95 HA LEU 13 HA LEU 13 -8.437 -1.026 -22.719 96 HB2 LEU 13 2HB LEU 13 -5.662 -1.009 -23.163 97 HB3 LEU 13 3HB LEU 13 -6.375 -0.064 -24.469 98 HG LEU 13 HG LEU 13 -7.560 0.766 -22.017 99 HD11 LEU 13 1HD1 LEU 13 -5.177 -0.278 -21.356 100 HD12 LEU 13 2HD1 LEU 13 -5.882 1.124 -20.552 101 HD13 LEU 13 3HD1 LEU 13 -4.675 1.348 -21.818 102 HD21 LEU 13 3HD2 LEU 13 -5.511 2.410 -23.388 103 HD22 LEU 13 1HD2 LEU 13 -7.138 2.834 -22.854 104 HD23 LEU 13 2HD2 LEU 13 -6.911 1.902 -24.335 105 H LYS 14 H LYS 14 -10.115 -0.668 -23.996 106 HA LYS 14 HA LYS 14 -9.894 -1.326 -26.853 107 HB2 LYS 14 2HB LYS 14 -11.686 -2.388 -25.330 108 HB3 LYS 14 3HB LYS 14 -12.472 -0.816 -25.388 109 HG2 LYS 14 2HG LYS 14 -11.704 -2.172 -27.931 110 HG3 LYS 14 3HG LYS 14 -13.152 -2.685 -27.062 111 HD2 LYS 14 2HD LYS 14 -13.218 0.127 -27.128 112 HD3 LYS 14 3HD LYS 14 -12.763 -0.398 -28.751 113 HE2 LYS 14 2HE LYS 14 -14.714 -1.717 -28.971 114 HE3 LYS 14 3HE LYS 14 -15.083 -1.590 -27.252 115 HZ1 LYS 14 3HZ LYS 14 -16.247 0.236 -27.641 116 HZ2 LYS 14 1HZ LYS 14 -15.993 0.040 -29.302 117 HZ3 LYS 14 2HZ LYS 14 -14.929 0.987 -28.390 118 H GLN 15 H GLN 15 -9.190 0.475 -27.863 119 HA GLN 15 HA GLN 15 -9.816 3.116 -27.104 120 HB2 GLN 15 2HB GLN 15 -8.410 1.794 -29.305 121 HB3 GLN 15 3HB GLN 15 -9.203 3.289 -29.784 122 HG2 GLN 15 2HG GLN 15 -7.525 3.252 -27.323 123 HG3 GLN 15 3HG GLN 15 -6.748 3.302 -28.905 124 HE21 GLN 15 2HE2 GLN 15 -7.147 6.767 -27.795 125 HE22 GLN 15 1HE2 GLN 15 -6.289 5.357 -27.285 126 H ASP 16 H ASP 16 -10.970 4.695 -28.512 127 HA ASP 16 HA ASP 16 -13.660 3.925 -28.851 128 HB2 ASP 16 2HB ASP 16 -12.081 6.374 -29.570 129 HB3 ASP 16 3HB ASP 16 -13.748 6.205 -30.114 130 H ARG 17 H ARG 17 -11.173 4.757 -31.263 131 HA ARG 17 HA ARG 17 -12.865 3.614 -33.360 132 HB2 ARG 17 2HB ARG 17 -10.932 5.747 -33.243 133 HB3 ARG 17 3HB ARG 17 -10.470 4.584 -34.479 134 HG2 ARG 17 2HG ARG 17 -12.719 4.790 -35.470 135 HG3 ARG 17 3HG ARG 17 -13.104 6.025 -34.270 136 HD2 ARG 17 2HD ARG 17 -10.631 6.403 -35.855 137 HD3 ARG 17 3HD ARG 17 -12.164 6.608 -36.701 138 HE ARG 17 HE ARG 17 -12.509 8.113 -34.498 139 HH11 ARG 17 1HH1 ARG 17 -9.950 7.939 -36.853 140 HH12 ARG 17 2HH1 ARG 17 -9.511 9.607 -36.691 141 HH21 ARG 17 2HH2 ARG 17 -10.643 10.955 -35.225 142 HH22 ARG 17 1HH2 ARG 17 -11.940 10.311 -34.276 143 H PHE 18 H PHE 18 -9.919 3.053 -31.605 144 HA PHE 18 HA PHE 18 -9.060 0.942 -33.410 145 HB2 PHE 18 2HB PHE 18 -7.825 2.560 -31.347 146 HB3 PHE 18 3HB PHE 18 -7.475 0.852 -31.106 147 HD1 PHE 18 HD1 PHE 18 -7.896 2.818 -34.237 148 HD2 PHE 18 HD2 PHE 18 -5.289 0.528 -31.772 149 HE1 PHE 18 HE1 PHE 18 -6.156 2.934 -35.974 150 HE2 PHE 18 HE2 PHE 18 -3.546 0.641 -33.504 151 HZ PHE 18 HZ PHE 18 -3.977 1.846 -35.608 152 HA PRO 19 HA PRO 19 -10.846 -2.443 -31.267 153 HB2 PRO 19 2HB PRO 19 -8.914 -4.335 -31.509 154 HB3 PRO 19 3HB PRO 19 -9.916 -3.806 -32.866 155 HG2 PRO 19 2HG PRO 19 -7.132 -2.984 -32.134 156 HG3 PRO 19 3HG PRO 19 -7.801 -3.371 -33.730 157 HD2 PRO 19 2HD PRO 19 -7.443 -0.826 -32.878 158 HD3 PRO 19 3HD PRO 19 -8.763 -1.290 -33.969 159 H TRP 20 H TRP 20 -9.898 -4.380 -29.721 160 HA TRP 20 HA TRP 20 -8.860 -2.935 -27.392 161 HB2 TRP 20 2HB TRP 20 -9.638 -5.024 -26.159 162 HB3 TRP 20 3HB TRP 20 -10.899 -4.030 -26.883 163 HD1 TRP 20 HD1 TRP 20 -9.178 -7.426 -27.257 164 HE1 TRP 20 HE1 TRP 20 -10.621 -8.916 -28.781 165 HE3 TRP 20 HE3 TRP 20 -12.610 -3.953 -28.774 166 HZ2 TRP 20 HZ2 TRP 20 -12.911 -8.654 -30.411 167 HZ3 TRP 20 HZ3 TRP 20 -14.394 -4.654 -30.317 168 HH2 TRP 20 HH2 TRP 20 -14.539 -6.956 -31.118 169 H TRP 21 H TRP 21 -6.806 -3.165 -26.833 170 HA TRP 21 HA TRP 21 -5.416 -5.654 -27.580 171 HB2 TRP 21 2HB TRP 21 -3.336 -4.052 -27.557 172 HB3 TRP 21 3HB TRP 21 -4.370 -4.139 -28.980 173 HD1 TRP 21 HD1 TRP 21 -5.419 -1.924 -29.795 174 HE1 TRP 21 HE1 TRP 21 -5.489 0.490 -28.905 175 HE3 TRP 21 HE3 TRP 21 -3.401 -2.709 -25.164 176 HZ2 TRP 21 HZ2 TRP 21 -4.781 1.878 -26.551 177 HZ3 TRP 21 HZ3 TRP 21 -3.131 -0.786 -23.654 178 HH2 TRP 21 HH2 TRP 21 -3.807 1.459 -24.335 179 HA PRO 22 HA PRO 22 -4.301 -6.142 -23.362 180 HB2 PRO 22 2HB PRO 22 -1.878 -7.344 -23.596 181 HB3 PRO 22 3HB PRO 22 -3.398 -8.169 -23.960 182 HG2 PRO 22 2HG PRO 22 -1.439 -6.892 -25.830 183 HG3 PRO 22 3HG PRO 22 -2.294 -8.438 -25.989 184 HD2 PRO 22 2HD PRO 22 -3.091 -6.194 -27.278 185 HD3 PRO 22 3HD PRO 22 -4.234 -7.434 -26.723 186 H GLY 23 H GLY 23 -3.054 -5.261 -21.705 187 HA2 GLY 23 2HA GLY 23 -0.695 -3.705 -22.285 188 HA3 GLY 23 3HA GLY 23 -2.100 -2.727 -21.889 189 H PHE 24 H PHE 24 0.605 -3.684 -20.571 190 HA PHE 24 HA PHE 24 -0.379 -4.738 -18.059 191 HB2 PHE 24 2HB PHE 24 1.977 -5.055 -19.365 192 HB3 PHE 24 3HB PHE 24 2.413 -3.785 -18.226 193 HD1 PHE 24 HD1 PHE 24 0.318 -6.872 -18.047 194 HD2 PHE 24 HD2 PHE 24 3.522 -4.603 -16.402 195 HE1 PHE 24 HE1 PHE 24 0.603 -8.561 -16.281 196 HE2 PHE 24 HE2 PHE 24 3.812 -6.289 -14.634 197 HZ PHE 24 HZ PHE 24 2.353 -8.272 -14.572 198 H VAL 25 H VAL 25 -0.879 -3.584 -16.310 199 HA VAL 25 HA VAL 25 -0.775 -0.708 -16.426 200 HB VAL 25 HB VAL 25 -1.703 -2.529 -14.200 201 HG11 VAL 25 1HG1 VAL 25 -1.505 -0.625 -13.009 202 HG12 VAL 25 2HG1 VAL 25 -1.485 0.399 -14.446 203 HG13 VAL 25 3HG1 VAL 25 -3.017 -0.207 -13.815 204 HG21 VAL 25 3HG2 VAL 25 -3.531 -2.858 -15.420 205 HG22 VAL 25 1HG2 VAL 25 -3.830 -1.119 -15.417 206 HG23 VAL 25 2HG2 VAL 25 -2.876 -1.848 -16.709 207 H MET 26 H MET 26 0.931 0.446 -15.838 208 HA MET 26 HA MET 26 2.520 -0.443 -13.536 209 HB2 MET 26 2HB MET 26 3.579 0.419 -16.227 210 HB3 MET 26 3HB MET 26 4.571 0.384 -14.775 211 HG2 MET 26 2HG MET 26 3.435 -2.116 -14.806 212 HG3 MET 26 3HG MET 26 3.719 -1.783 -16.513 213 HE1 MET 26 3HE MET 26 5.238 -3.434 -13.521 214 HE2 MET 26 1HE MET 26 6.789 -2.635 -13.265 215 HE3 MET 26 2HE MET 26 5.288 -1.760 -12.965 216 H ASP 27 H ASP 27 3.272 1.172 -12.219 217 HA ASP 27 HA ASP 27 2.125 3.813 -12.684 218 HB2 ASP 27 2HB ASP 27 2.390 4.213 -10.374 219 HB3 ASP 27 3HB ASP 27 1.908 2.522 -10.483 220 HA PRO 28 HA PRO 28 5.935 5.627 -13.937 221 HB2 PRO 28 2HB PRO 28 5.398 8.213 -13.309 222 HB3 PRO 28 3HB PRO 28 4.671 7.389 -14.694 223 HG2 PRO 28 2HG PRO 28 3.522 7.903 -11.978 224 HG3 PRO 28 3HG PRO 28 2.751 8.060 -13.567 225 HD2 PRO 28 2HD PRO 28 2.356 5.915 -11.961 226 HD3 PRO 28 3HD PRO 28 2.343 5.797 -13.733 227 H ASP 29 H ASP 29 4.650 6.456 -10.739 228 HA ASP 29 HA ASP 29 7.016 5.846 -9.372 229 HB2 ASP 29 2HB ASP 29 7.423 8.159 -10.688 230 HB3 ASP 29 3HB ASP 29 6.694 8.790 -9.214 231 H GLU 30 H GLU 30 4.422 5.192 -8.932 232 HA GLU 30 HA GLU 30 2.876 5.027 -7.271 233 HB2 GLU 30 2HB GLU 30 4.641 6.809 -5.600 234 HB3 GLU 30 3HB GLU 30 3.490 5.600 -5.047 235 HG2 GLU 30 2HG GLU 30 4.897 3.827 -5.914 236 HG3 GLU 30 3HG GLU 30 6.035 5.016 -6.544 237 H VAL 31 H VAL 31 1.575 6.361 -8.745 238 HA VAL 31 HA VAL 31 1.244 9.150 -7.938 239 HB VAL 31 HB VAL 31 -0.337 9.266 -9.872 240 HG11 VAL 31 1HG1 VAL 31 1.847 10.045 -10.273 241 HG12 VAL 31 2HG1 VAL 31 2.513 8.411 -10.293 242 HG13 VAL 31 3HG1 VAL 31 1.486 8.962 -11.617 243 HG21 VAL 31 3HG2 VAL 31 -0.757 7.493 -11.272 244 HG22 VAL 31 1HG2 VAL 31 0.727 6.651 -10.827 245 HG23 VAL 31 2HG2 VAL 31 -0.646 6.663 -9.720 246 H ARG 32 H ARG 32 0.298 6.566 -6.507 247 HA ARG 32 HA ARG 32 -2.577 6.977 -6.446 248 HB2 ARG 32 2HB ARG 32 -1.991 4.701 -6.345 249 HB3 ARG 32 3HB ARG 32 -0.714 4.992 -5.171 250 HG2 ARG 32 2HG ARG 32 -2.645 3.872 -4.176 251 HG3 ARG 32 3HG ARG 32 -2.358 5.456 -3.454 252 HD2 ARG 32 2HD ARG 32 -4.330 6.256 -4.153 253 HD3 ARG 32 3HD ARG 32 -4.160 5.527 -5.750 254 HE ARG 32 HE ARG 32 -4.730 3.403 -4.203 255 HH11 ARG 32 1HH1 ARG 32 -6.221 6.531 -4.537 256 HH12 ARG 32 2HH1 ARG 32 -7.809 5.961 -4.147 257 HH21 ARG 32 2HH2 ARG 32 -8.147 3.747 -3.663 258 HH22 ARG 32 1HH2 ARG 32 -6.817 2.639 -3.688 259 H ASP 33 H ASP 33 0.246 7.591 -4.462 260 HA ASP 33 HA ASP 33 -1.457 8.754 -2.372 261 HB2 ASP 33 2HB ASP 33 0.939 7.216 -2.296 262 HB3 ASP 33 3HB ASP 33 1.302 8.813 -1.646 263 H ILE 34 H ILE 34 1.054 9.501 -4.692 264 HA ILE 34 HA ILE 34 0.876 12.338 -3.914 265 HB ILE 34 HB ILE 34 3.143 10.962 -5.360 266 HG12 ILE 34 2HG1 ILE 34 4.184 11.923 -3.031 267 HG13 ILE 34 3HG1 ILE 34 2.569 11.457 -2.509 268 HG21 ILE 34 1HG2 ILE 34 3.105 13.188 -6.100 269 HG22 ILE 34 2HG2 ILE 34 2.686 13.802 -4.501 270 HG23 ILE 34 3HG2 ILE 34 4.302 13.163 -4.805 271 HD11 ILE 34 3HD1 ILE 34 3.082 9.299 -2.550 272 HD12 ILE 34 1HD1 ILE 34 3.830 9.422 -4.142 273 HD13 ILE 34 2HD1 ILE 34 4.763 9.813 -2.697 274 H THR 35 H THR 35 -0.470 13.367 -5.237 275 HA THR 35 HA THR 35 -0.475 12.653 -8.092 276 HB THR 35 HB THR 35 -2.595 14.386 -6.893 277 HG1 THR 35 HG1 THR 35 -3.367 12.804 -5.726 278 HG21 THR 35 3HG2 THR 35 -3.121 12.168 -8.792 279 HG22 THR 35 1HG2 THR 35 -2.210 13.549 -9.398 280 HG23 THR 35 2HG2 THR 35 -3.820 13.785 -8.720 281 H LEU 36 H LEU 36 0.976 13.925 -9.095 282 HA LEU 36 HA LEU 36 0.852 16.821 -8.568 283 HB2 LEU 36 2HB LEU 36 3.179 16.888 -9.459 284 HB3 LEU 36 3HB LEU 36 2.995 16.018 -7.937 285 HG LEU 36 HG LEU 36 2.774 14.095 -9.981 286 HD11 LEU 36 1HD1 LEU 36 5.403 15.359 -10.406 287 HD12 LEU 36 2HD1 LEU 36 4.024 16.160 -11.159 288 HD13 LEU 36 3HD1 LEU 36 4.371 14.471 -11.527 289 HD21 LEU 36 3HD2 LEU 36 5.213 13.658 -8.988 290 HD22 LEU 36 1HD2 LEU 36 3.737 13.290 -8.095 291 HD23 LEU 36 2HD2 LEU 36 4.615 14.785 -7.768 292 HA PRO 37 HA PRO 37 -0.382 17.526 -12.723 293 HB2 PRO 37 2HB PRO 37 0.801 19.920 -13.217 294 HB3 PRO 37 3HB PRO 37 -0.600 19.741 -12.153 295 HG2 PRO 37 2HG PRO 37 2.298 19.980 -11.444 296 HG3 PRO 37 3HG PRO 37 0.894 20.756 -10.689 297 HD2 PRO 37 2HD PRO 37 2.096 18.573 -9.631 298 HD3 PRO 37 3HD PRO 37 0.355 18.878 -9.467 299 H GLU 38 H GLU 38 0.303 16.763 -14.623 300 HA GLU 38 HA GLU 38 2.891 17.338 -15.688 301 HB2 GLU 38 2HB GLU 38 3.363 15.495 -14.035 302 HB3 GLU 38 3HB GLU 38 2.342 14.447 -15.010 303 HG2 GLU 38 2HG GLU 38 3.900 14.184 -16.606 304 HG3 GLU 38 3HG GLU 38 4.471 15.847 -16.474 305 H GLY 39 H GLY 39 0.524 14.674 -15.946 306 HA2 GLY 39 2HA GLY 39 -1.086 15.167 -17.915 307 HA3 GLY 39 3HA GLY 39 0.407 15.175 -18.841 308 H SER 40 H SER 40 1.319 13.010 -16.811 309 HA SER 40 HA SER 40 -0.222 10.760 -17.895 310 HB2 SER 40 2HB SER 40 2.270 9.695 -17.932 311 HB3 SER 40 3HB SER 40 1.506 10.434 -19.339 312 HG SER 40 HG SER 40 3.213 11.668 -19.292 313 H ASP 41 H ASP 41 -1.068 9.880 -16.121 314 HA ASP 41 HA ASP 41 0.613 9.624 -13.723 315 HB2 ASP 41 2HB ASP 41 -1.275 9.760 -12.423 316 HB3 ASP 41 3HB ASP 41 -1.806 10.708 -13.809 317 H VAL 42 H VAL 42 -1.171 7.834 -16.118 318 HA VAL 42 HA VAL 42 -0.435 5.316 -14.775 319 HB VAL 42 HB VAL 42 -2.605 5.794 -16.823 320 HG11 VAL 42 1HG1 VAL 42 -1.443 3.335 -15.627 321 HG12 VAL 42 2HG1 VAL 42 -3.186 3.383 -15.901 322 HG13 VAL 42 3HG1 VAL 42 -2.072 3.616 -17.250 323 HG21 VAL 42 3HG2 VAL 42 -3.958 6.266 -15.125 324 HG22 VAL 42 1HG2 VAL 42 -3.543 4.740 -14.345 325 HG23 VAL 42 2HG2 VAL 42 -2.584 6.184 -14.023 326 H TRP 43 H TRP 43 0.768 3.818 -15.835 327 HA TRP 43 HA TRP 43 1.700 4.546 -18.535 328 HB2 TRP 43 2HB TRP 43 3.239 4.317 -16.293 329 HB3 TRP 43 3HB TRP 43 3.369 2.694 -16.965 330 HD1 TRP 43 HD1 TRP 43 3.209 3.915 -20.076 331 HE1 TRP 43 HE1 TRP 43 5.394 4.880 -21.036 332 HE3 TRP 43 HE3 TRP 43 5.732 4.716 -15.703 333 HZ2 TRP 43 HZ2 TRP 43 7.860 5.851 -20.067 334 HZ3 TRP 43 HZ3 TRP 43 7.999 5.666 -15.806 335 HH2 TRP 43 HH2 TRP 43 9.040 6.220 -17.944 336 H VAL 44 H VAL 44 0.660 3.312 -19.966 337 HA VAL 44 HA VAL 44 0.069 0.520 -19.304 338 HB VAL 44 HB VAL 44 -0.883 2.211 -21.621 339 HG11 VAL 44 1HG1 VAL 44 -1.310 0.249 -22.596 340 HG12 VAL 44 2HG1 VAL 44 -0.979 -0.654 -21.117 341 HG13 VAL 44 3HG1 VAL 44 -2.574 0.051 -21.383 342 HG21 VAL 44 3HG2 VAL 44 -3.108 1.851 -20.371 343 HG22 VAL 44 1HG2 VAL 44 -2.092 1.458 -18.984 344 HG23 VAL 44 2HG2 VAL 44 -1.976 3.047 -19.740 345 H CYS 45 H CYS 45 1.495 -0.962 -19.903 346 HA CYS 45 HA CYS 45 3.280 -0.419 -22.156 347 HB2 CYS 45 2HB CYS 45 4.161 -1.165 -19.895 348 HB3 CYS 45 3HB CYS 45 3.434 -2.733 -20.224 349 HG CYS 45 HG CYS 45 6.401 -2.004 -20.838 350 H CYS 46 H CYS 46 2.161 -0.899 -23.985 351 HA CYS 46 HA CYS 46 0.454 -3.172 -24.225 352 HB2 CYS 46 2HB CYS 46 0.585 -0.891 -25.594 353 HB3 CYS 46 3HB CYS 46 1.601 -1.867 -26.647 354 HG CYS 46 HG CYS 46 -1.431 -3.094 -25.749 355 H LEU 47 H LEU 47 0.809 -4.783 -26.047 356 HA LEU 47 HA LEU 47 3.150 -6.272 -25.498 357 HB2 LEU 47 2HB LEU 47 2.164 -7.931 -26.658 358 HB3 LEU 47 3HB LEU 47 0.743 -6.906 -26.468 359 HG LEU 47 HG LEU 47 2.505 -7.032 -28.916 360 HD11 LEU 47 1HD1 LEU 47 0.837 -8.299 -29.956 361 HD12 LEU 47 2HD1 LEU 47 -0.339 -7.961 -28.686 362 HD13 LEU 47 3HD1 LEU 47 1.022 -9.036 -28.364 363 HD21 LEU 47 3HD2 LEU 47 1.638 -5.011 -29.313 364 HD22 LEU 47 1HD2 LEU 47 0.444 -5.169 -28.024 365 HD23 LEU 47 2HD2 LEU 47 0.123 -5.863 -29.614 366 HA PRO 48 HA PRO 48 6.088 -4.831 -28.422 367 HB2 PRO 48 2HB PRO 48 7.274 -7.136 -29.230 368 HB3 PRO 48 3HB PRO 48 7.523 -6.439 -27.625 369 HG2 PRO 48 2HG PRO 48 5.705 -8.665 -28.463 370 HG3 PRO 48 3HG PRO 48 6.750 -8.551 -27.035 371 HD2 PRO 48 2HD PRO 48 4.085 -8.082 -26.930 372 HD3 PRO 48 3HD PRO 48 5.245 -7.241 -25.881 373 H ARG 49 H ARG 49 5.203 -3.962 -30.225 374 HA ARG 49 HA ARG 49 5.031 -5.602 -32.583 375 HB2 ARG 49 2HB ARG 49 2.738 -5.210 -33.122 376 HB3 ARG 49 3HB ARG 49 2.784 -5.868 -31.492 377 HG2 ARG 49 2HG ARG 49 1.339 -4.182 -31.107 378 HG3 ARG 49 3HG ARG 49 2.832 -3.265 -30.897 379 HD2 ARG 49 2HD ARG 49 2.366 -1.973 -32.647 380 HD3 ARG 49 3HD ARG 49 2.081 -3.377 -33.676 381 HE ARG 49 HE ARG 49 0.108 -1.723 -32.450 382 HH11 ARG 49 1HH1 ARG 49 0.784 -4.977 -33.489 383 HH12 ARG 49 2HH1 ARG 49 -0.883 -5.387 -33.723 384 HH21 ARG 49 2HH2 ARG 49 -2.517 -3.836 -33.306 385 HH22 ARG 49 1HH2 ARG 49 -2.090 -2.252 -32.755 386 H ASP 50 H ASP 50 4.657 -2.489 -31.016 387 HA ASP 50 HA ASP 50 5.307 -1.160 -33.563 388 HB2 ASP 50 2HB ASP 50 3.346 -0.580 -31.561 389 HB3 ASP 50 3HB ASP 50 4.499 0.750 -31.625 390 H SER 51 H SER 51 6.972 -2.396 -31.240 391 HA SER 51 HA SER 51 9.068 -2.027 -30.420 392 HB2 SER 51 2HB SER 51 9.271 -0.779 -32.702 393 HB3 SER 51 3HB SER 51 9.167 0.680 -31.718 394 HG SER 51 HG SER 51 11.338 -0.097 -32.102 395 H LEU 52 H LEU 52 7.474 -1.774 -28.518 396 HA LEU 52 HA LEU 52 7.079 -0.832 -26.486 397 HB2 LEU 52 2HB LEU 52 9.561 0.383 -27.392 398 HB3 LEU 52 3HB LEU 52 8.651 1.433 -26.308 399 HG LEU 52 HG LEU 52 10.265 0.167 -25.046 400 HD11 LEU 52 1HD1 LEU 52 8.873 -0.226 -23.333 401 HD12 LEU 52 2HD1 LEU 52 7.879 -1.347 -24.262 402 HD13 LEU 52 3HD1 LEU 52 7.633 0.391 -24.425 403 HD21 LEU 52 3HD2 LEU 52 9.074 -2.464 -25.417 404 HD22 LEU 52 1HD2 LEU 52 10.769 -1.978 -25.401 405 HD23 LEU 52 2HD2 LEU 52 9.824 -1.832 -26.883 406 H THR 53 H THR 53 4.990 -0.265 -27.407 407 HA THR 53 HA THR 53 4.656 2.546 -28.144 408 HB THR 53 HB THR 53 2.242 0.874 -28.028 409 HG1 THR 53 HG1 THR 53 2.912 -0.687 -29.294 410 HG21 THR 53 3HG2 THR 53 2.787 3.209 -29.147 411 HG22 THR 53 1HG2 THR 53 1.630 2.093 -29.870 412 HG23 THR 53 2HG2 THR 53 3.277 2.183 -30.494 413 H LEU 54 H LEU 54 5.360 2.075 -25.469 414 HA LEU 54 HA LEU 54 3.307 1.834 -23.634 415 HB2 LEU 54 2HB LEU 54 5.906 3.303 -23.625 416 HB3 LEU 54 3HB LEU 54 4.789 3.505 -22.278 417 HG LEU 54 HG LEU 54 5.516 0.735 -23.071 418 HD11 LEU 54 1HD1 LEU 54 7.344 2.342 -21.317 419 HD12 LEU 54 2HD1 LEU 54 7.627 2.168 -23.049 420 HD13 LEU 54 3HD1 LEU 54 7.602 0.742 -22.013 421 HD21 LEU 54 3HD2 LEU 54 5.192 2.060 -20.383 422 HD22 LEU 54 1HD2 LEU 54 5.276 0.331 -20.718 423 HD23 LEU 54 2HD2 LEU 54 3.889 1.269 -21.272 424 H SER 55 H SER 55 1.554 2.992 -23.208 425 HA SER 55 HA SER 55 1.422 5.754 -24.219 426 HB2 SER 55 2HB SER 55 -0.313 3.605 -24.631 427 HB3 SER 55 3HB SER 55 -1.138 4.618 -23.447 428 HG SER 55 HG SER 55 -0.585 6.399 -24.962 429 H ALA 56 H ALA 56 1.326 7.359 -22.798 430 HA ALA 56 HA ALA 56 0.608 6.718 -20.012 431 HB1 ALA 56 1HB ALA 56 2.229 8.138 -19.224 432 HB2 ALA 56 2HB ALA 56 3.006 7.535 -20.689 433 HB3 ALA 56 3HB ALA 56 2.235 9.122 -20.688 434 H ALA 57 H ALA 57 -0.888 7.949 -18.972 435 HA ALA 57 HA ALA 57 -1.821 10.444 -20.096 436 HB1 ALA 57 1HB ALA 57 -3.431 9.518 -21.333 437 HB2 ALA 57 2HB ALA 57 -3.241 7.944 -20.560 438 HB3 ALA 57 3HB ALA 57 -4.244 9.182 -19.805 439 H ASN 58 H ASN 58 -2.975 11.699 -18.633 440 HA ASN 58 HA ASN 58 -3.116 10.610 -15.898 441 HB2 ASN 58 2HB ASN 58 -1.475 12.279 -15.802 442 HB3 ASN 58 3HB ASN 58 -2.343 13.328 -16.920 443 HD21 ASN 58 2HD2 ASN 58 -3.963 13.066 -13.177 444 HD22 ASN 58 1HD2 ASN 58 -3.489 11.642 -14.034 445 H SER 59 H SER 59 -5.188 10.092 -15.549 446 HA SER 59 HA SER 59 -7.455 10.239 -15.391 447 HB2 SER 59 2HB SER 59 -6.478 12.360 -14.097 448 HB3 SER 59 3HB SER 59 -7.360 13.217 -15.361 449 HG SER 59 HG SER 59 -9.130 12.766 -14.343 450 H GLU 60 H GLU 60 -6.295 10.276 -18.050 451 HA GLU 60 HA GLU 60 -8.387 11.772 -19.489 452 HB2 GLU 60 2HB GLU 60 -5.534 11.173 -20.210 453 HB3 GLU 60 3HB GLU 60 -6.722 11.507 -21.461 454 HG2 GLU 60 2HG GLU 60 -7.210 13.668 -20.364 455 HG3 GLU 60 3HG GLU 60 -5.919 13.335 -19.211 456 H ASP 61 H ASP 61 -6.790 8.724 -19.019 457 HA ASP 61 HA ASP 61 -8.332 7.476 -21.169 458 HB2 ASP 61 2HB ASP 61 -5.877 6.989 -20.881 459 HB3 ASP 61 3HB ASP 61 -6.280 6.185 -19.366 460 H GLU 62 H GLU 62 -10.349 6.964 -20.607 461 HA GLU 62 HA GLU 62 -10.786 5.148 -18.412 462 HB2 GLU 62 2HB GLU 62 -11.054 7.850 -17.855 463 HB3 GLU 62 3HB GLU 62 -12.702 7.335 -18.187 464 HG2 GLU 62 2HG GLU 62 -11.776 5.345 -16.549 465 HG3 GLU 62 3HG GLU 62 -10.991 6.782 -15.898 466 H GLY 63 H GLY 63 -11.117 5.412 -21.389 467 HA2 GLY 63 2HA GLY 63 -13.900 5.508 -21.966 468 HA3 GLY 63 3HA GLY 63 -12.647 4.870 -23.019 469 H GLN 64 H GLN 64 -12.257 2.684 -23.082 470 HA GLN 64 HA GLN 64 -14.076 1.015 -21.473 471 HB2 GLN 64 2HB GLN 64 -13.510 1.056 -24.369 472 HB3 GLN 64 3HB GLN 64 -13.559 -0.543 -23.636 473 HG2 GLN 64 2HG GLN 64 -15.745 -0.372 -24.132 474 HG3 GLN 64 3HG GLN 64 -15.793 0.474 -22.586 475 HE21 GLN 64 2HE2 GLN 64 -17.563 2.889 -24.407 476 HE22 GLN 64 1HE2 GLN 64 -17.676 1.551 -23.320 477 H ILE 65 H ILE 65 -13.126 -0.419 -20.191 478 HA ILE 65 HA ILE 65 -10.554 -1.575 -20.948 479 HB ILE 65 HB ILE 65 -9.934 0.343 -19.578 480 HG12 ILE 65 2HG1 ILE 65 -9.512 -1.813 -17.608 481 HG13 ILE 65 3HG1 ILE 65 -9.058 -2.215 -19.260 482 HG21 ILE 65 1HG2 ILE 65 -11.844 -0.859 -17.591 483 HG22 ILE 65 2HG2 ILE 65 -10.617 0.325 -17.146 484 HG23 ILE 65 3HG2 ILE 65 -11.880 0.756 -18.299 485 HD11 ILE 65 3HD1 ILE 65 -8.105 0.397 -18.373 486 HD12 ILE 65 1HD1 ILE 65 -7.466 -0.961 -17.447 487 HD13 ILE 65 2HD1 ILE 65 -7.253 -0.908 -19.198 488 H ARG 66 H ARG 66 -10.163 -3.602 -20.087 489 HA ARG 66 HA ARG 66 -12.224 -4.724 -18.320 490 HB2 ARG 66 2HB ARG 66 -12.169 -5.270 -20.999 491 HB3 ARG 66 3HB ARG 66 -11.188 -6.579 -20.353 492 HG2 ARG 66 2HG ARG 66 -13.217 -7.568 -20.213 493 HG3 ARG 66 3HG ARG 66 -13.222 -6.744 -18.653 494 HD2 ARG 66 2HD ARG 66 -14.696 -5.118 -19.368 495 HD3 ARG 66 3HD ARG 66 -14.273 -5.335 -21.065 496 HE ARG 66 HE ARG 66 -15.530 -7.651 -19.981 497 HH11 ARG 66 1HH1 ARG 66 -16.146 -4.462 -21.234 498 HH12 ARG 66 2HH1 ARG 66 -17.757 -4.834 -21.752 499 HH21 ARG 66 2HH2 ARG 66 -18.611 -6.934 -21.423 500 HH22 ARG 66 1HH2 ARG 66 -17.649 -8.154 -20.659 501 H TYR 67 H TYR 67 -11.471 -6.025 -16.743 502 HA TYR 67 HA TYR 67 -8.652 -6.144 -16.294 503 HB2 TYR 67 2HB TYR 67 -10.879 -7.551 -14.806 504 HB3 TYR 67 3HB TYR 67 -9.229 -7.324 -14.236 505 HD1 TYR 67 HD1 TYR 67 -12.492 -5.781 -14.680 506 HD2 TYR 67 HD2 TYR 67 -8.443 -5.081 -13.575 507 HE1 TYR 67 HE1 TYR 67 -13.148 -3.645 -13.652 508 HE2 TYR 67 HE2 TYR 67 -9.089 -2.943 -12.543 509 HH TYR 67 HH TYR 67 -10.753 -1.564 -12.052 510 H PHE 68 H PHE 68 -7.249 -7.700 -16.795 511 HA PHE 68 HA PHE 68 -8.318 -10.238 -17.840 512 HB2 PHE 68 2HB PHE 68 -6.754 -8.436 -19.175 513 HB3 PHE 68 3HB PHE 68 -5.545 -9.547 -18.538 514 HD1 PHE 68 HD1 PHE 68 -8.926 -9.816 -20.104 515 HD2 PHE 68 HD2 PHE 68 -4.899 -11.189 -19.988 516 HE1 PHE 68 HE1 PHE 68 -9.412 -11.387 -21.935 517 HE2 PHE 68 HE2 PHE 68 -5.378 -12.761 -21.819 518 HZ PHE 68 HZ PHE 68 -7.637 -12.861 -22.795 519 H LEU 69 H LEU 69 -7.426 -12.165 -17.171 520 HA LEU 69 HA LEU 69 -5.062 -12.482 -15.714 521 HB2 LEU 69 2HB LEU 69 -7.317 -11.539 -14.175 522 HB3 LEU 69 3HB LEU 69 -6.774 -13.115 -13.604 523 HG LEU 69 HG LEU 69 -4.754 -10.957 -13.996 524 HD11 LEU 69 1HD1 LEU 69 -5.292 -10.533 -11.443 525 HD12 LEU 69 2HD1 LEU 69 -6.917 -10.981 -11.962 526 HD13 LEU 69 3HD1 LEU 69 -6.091 -9.622 -12.724 527 HD21 LEU 69 3HD2 LEU 69 -3.721 -12.906 -13.355 528 HD22 LEU 69 1HD2 LEU 69 -5.083 -13.434 -12.368 529 HD23 LEU 69 2HD2 LEU 69 -4.016 -12.156 -11.786 530 HA PRO 70 HA PRO 70 -7.708 -16.490 -15.250 531 HB2 PRO 70 2HB PRO 70 -10.320 -16.364 -15.979 532 HB3 PRO 70 3HB PRO 70 -9.762 -16.007 -14.340 533 HG2 PRO 70 2HG PRO 70 -10.447 -14.120 -16.561 534 HG3 PRO 70 3HG PRO 70 -10.856 -14.017 -14.838 535 HD2 PRO 70 2HD PRO 70 -8.823 -12.608 -15.940 536 HD3 PRO 70 3HD PRO 70 -8.779 -13.196 -14.266 537 H ASP 71 H ASP 71 -7.853 -14.334 -17.894 538 HA ASP 71 HA ASP 71 -7.872 -14.596 -20.159 539 HB2 ASP 71 2HB ASP 71 -6.718 -17.332 -19.623 540 HB3 ASP 71 3HB ASP 71 -6.442 -16.295 -21.020 541 H ARG 72 H ARG 72 -10.272 -15.380 -18.786 542 HA ARG 72 HA ARG 72 -11.314 -17.302 -20.754 543 HB2 ARG 72 2HB ARG 72 -12.629 -18.415 -19.116 544 HB3 ARG 72 3HB ARG 72 -11.000 -18.319 -18.463 545 HG2 ARG 72 2HG ARG 72 -11.836 -16.189 -17.280 546 HG3 ARG 72 3HG ARG 72 -13.447 -16.809 -17.647 547 HD2 ARG 72 2HD ARG 72 -11.466 -18.641 -16.390 548 HD3 ARG 72 3HD ARG 72 -12.222 -17.403 -15.387 549 HE ARG 72 HE ARG 72 -14.247 -18.700 -16.788 550 HH11 ARG 72 1HH1 ARG 72 -11.860 -19.438 -14.364 551 HH12 ARG 72 2HH1 ARG 72 -12.811 -20.680 -13.618 552 HH21 ARG 72 2HH2 ARG 72 -14.887 -21.188 -14.445 553 HH22 ARG 72 1HH2 ARG 72 -15.509 -20.332 -15.815 554 H ASP 73 H ASP 73 -11.313 -14.318 -20.496 555 HA ASP 73 HA ASP 73 -14.156 -13.754 -20.121 556 HB2 ASP 73 2HB ASP 73 -12.357 -12.276 -19.130 557 HB3 ASP 73 3HB ASP 73 -11.961 -11.785 -20.775 558 H GLU 74 H GLU 74 -13.336 -15.354 -22.363 559 HA GLU 74 HA GLU 74 -13.732 -15.572 -24.593 560 HB2 GLU 74 2HB GLU 74 -15.318 -13.015 -24.387 561 HB3 GLU 74 3HB GLU 74 -15.526 -14.320 -25.547 562 HG2 GLU 74 2HG GLU 74 -16.151 -15.801 -23.626 563 HG3 GLU 74 3HG GLU 74 -16.157 -14.361 -22.610 564 H GLY 75 H GLY 75 -11.323 -14.395 -23.956 565 HA2 GLY 75 2HA GLY 75 -10.953 -12.626 -26.278 566 HA3 GLY 75 3HA GLY 75 -10.300 -12.150 -24.718 567 H MET 76 H MET 76 -9.533 -14.828 -23.931 568 HA MET 76 HA MET 76 -6.913 -14.903 -24.773 569 HB2 MET 76 2HB MET 76 -6.739 -17.021 -23.739 570 HB3 MET 76 3HB MET 76 -7.987 -16.165 -22.843 571 HG2 MET 76 2HG MET 76 -9.098 -18.097 -23.090 572 HG3 MET 76 3HG MET 76 -9.515 -17.408 -24.658 573 HE1 MET 76 3HE MET 76 -7.995 -20.276 -22.758 574 HE2 MET 76 1HE MET 76 -6.734 -20.934 -23.800 575 HE3 MET 76 2HE MET 76 -6.484 -19.393 -22.979 576 H MET 77 H MET 77 -9.747 -16.198 -26.333 577 HA MET 77 HA MET 77 -8.481 -17.980 -28.110 578 HB2 MET 77 2HB MET 77 -10.554 -17.774 -29.455 579 HB3 MET 77 3HB MET 77 -10.869 -18.087 -27.753 580 HG2 MET 77 2HG MET 77 -11.301 -15.678 -27.429 581 HG3 MET 77 3HG MET 77 -11.088 -15.439 -29.162 582 HE1 MET 77 3HE MET 77 -14.875 -14.934 -28.899 583 HE2 MET 77 1HE MET 77 -14.007 -14.744 -27.376 584 HE3 MET 77 2HE MET 77 -13.281 -14.178 -28.881 585 H GLU 78 H GLU 78 -9.211 -14.533 -28.318 586 HA GLU 78 HA GLU 78 -8.073 -14.376 -30.993 587 HB2 GLU 78 2HB GLU 78 -10.146 -13.091 -30.216 588 HB3 GLU 78 3HB GLU 78 -9.036 -12.065 -29.319 589 HG2 GLU 78 2HG GLU 78 -8.766 -10.839 -31.134 590 HG3 GLU 78 3HG GLU 78 -8.009 -12.223 -31.920 591 H GLU 79 H GLU 79 -7.136 -13.919 -27.725 592 HA GLU 79 HA GLU 79 -4.743 -12.419 -28.538 593 HB2 GLU 79 2HB GLU 79 -6.452 -12.326 -26.222 594 HB3 GLU 79 3HB GLU 79 -4.801 -12.681 -25.732 595 HG2 GLU 79 2HG GLU 79 -4.960 -10.357 -25.660 596 HG3 GLU 79 3HG GLU 79 -4.114 -10.701 -27.167 597 H GLY 80 H GLY 80 -5.341 -15.392 -28.776 598 HA2 GLY 80 2HA GLY 80 -2.719 -16.268 -27.956 599 HA3 GLY 80 3HA GLY 80 -4.022 -17.015 -27.044 600 H LYS 81 H LYS 81 -5.911 -17.162 -29.170 601 HA LYS 81 HA LYS 81 -4.727 -19.389 -30.659 602 HB2 LYS 81 2HB LYS 81 -7.125 -19.149 -29.304 603 HB3 LYS 81 3HB LYS 81 -7.599 -18.960 -30.988 604 HG2 LYS 81 2HG LYS 81 -5.754 -21.166 -30.606 605 HG3 LYS 81 3HG LYS 81 -7.225 -21.338 -29.646 606 HD2 LYS 81 2HD LYS 81 -8.043 -22.234 -31.550 607 HD3 LYS 81 3HD LYS 81 -8.275 -20.544 -32.003 608 HE2 LYS 81 2HE LYS 81 -5.708 -20.919 -32.766 609 HE3 LYS 81 3HE LYS 81 -6.359 -22.538 -33.018 610 HZ1 LYS 81 3HZ LYS 81 -6.655 -20.291 -34.648 611 HZ2 LYS 81 1HZ LYS 81 -8.185 -20.672 -34.035 612 HZ3 LYS 81 2HZ LYS 81 -7.298 -21.839 -34.878 613 H LEU 82 H LEU 82 -4.559 -16.391 -31.248 614 HA LEU 82 HA LEU 82 -5.358 -16.613 -34.070 615 HB2 LEU 82 2HB LEU 82 -6.148 -14.630 -32.094 616 HB3 LEU 82 3HB LEU 82 -5.426 -13.908 -33.530 617 HG LEU 82 HG LEU 82 -7.901 -14.041 -33.606 618 HD11 LEU 82 1HD1 LEU 82 -6.920 -15.866 -35.738 619 HD12 LEU 82 2HD1 LEU 82 -6.209 -14.257 -35.611 620 HD13 LEU 82 3HD1 LEU 82 -7.946 -14.436 -35.854 621 HD21 LEU 82 3HD2 LEU 82 -7.666 -16.466 -32.480 622 HD22 LEU 82 1HD2 LEU 82 -7.812 -16.937 -34.173 623 HD23 LEU 82 2HD2 LEU 82 -9.074 -15.964 -33.417 624 H ASP 83 H ASP 83 -3.490 -14.480 -31.901 625 HA ASP 83 HA ASP 83 -1.318 -14.533 -33.894 626 HB2 ASP 83 2HB ASP 83 -1.599 -12.319 -31.894 627 HB3 ASP 83 3HB ASP 83 -0.828 -12.299 -33.478 628 H ALA 84 H ALA 84 0.528 -15.424 -33.261 629 HA ALA 84 HA ALA 84 0.891 -16.624 -30.765 630 HB1 ALA 84 1HB ALA 84 2.493 -17.613 -31.934 631 HB2 ALA 84 2HB ALA 84 2.350 -16.400 -33.207 632 HB3 ALA 84 3HB ALA 84 3.446 -16.131 -31.852 633 H SER 85 H SER 85 1.545 -13.394 -31.848 634 HA SER 85 HA SER 85 3.429 -12.663 -29.866 635 HB2 SER 85 2HB SER 85 1.979 -10.353 -30.550 636 HB3 SER 85 3HB SER 85 3.506 -10.897 -31.246 637 HG SER 85 HG SER 85 2.122 -10.723 -32.937 638 H CYS 86 H CYS 86 -0.081 -12.687 -29.963 639 HA CYS 86 HA CYS 86 -0.469 -11.200 -27.570 640 HB2 CYS 86 2HB CYS 86 -2.292 -13.136 -29.013 641 HB3 CYS 86 3HB CYS 86 -2.788 -12.107 -27.674 642 HG CYS 86 HG CYS 86 -1.915 -9.764 -29.252 643 H ALA 87 H ALA 87 -0.505 -14.680 -28.295 644 HA ALA 87 HA ALA 87 -1.059 -15.561 -25.687 645 HB1 ALA 87 1HB ALA 87 -1.282 -17.404 -26.913 646 HB2 ALA 87 2HB ALA 87 -0.275 -16.753 -28.207 647 HB3 ALA 87 3HB ALA 87 0.473 -17.565 -26.832 648 H VAL 88 H VAL 88 2.016 -15.008 -27.363 649 HA VAL 88 HA VAL 88 3.686 -15.935 -25.283 650 HB VAL 88 HB VAL 88 4.246 -13.970 -27.505 651 HG11 VAL 88 1HG1 VAL 88 5.915 -13.470 -25.973 652 HG12 VAL 88 2HG1 VAL 88 6.019 -15.133 -25.392 653 HG13 VAL 88 3HG1 VAL 88 6.668 -14.709 -26.977 654 HG21 VAL 88 3HG2 VAL 88 3.669 -16.541 -27.823 655 HG22 VAL 88 1HG2 VAL 88 4.895 -15.731 -28.798 656 HG23 VAL 88 2HG2 VAL 88 5.375 -16.714 -27.415 657 H ALA 89 H ALA 89 2.538 -12.687 -26.137 658 HA ALA 89 HA ALA 89 3.948 -11.245 -24.206 659 HB1 ALA 89 1HB ALA 89 2.591 -10.354 -26.160 660 HB2 ALA 89 2HB ALA 89 1.177 -10.527 -25.119 661 HB3 ALA 89 3HB ALA 89 2.493 -9.451 -24.648 662 H ILE 90 H ILE 90 0.744 -12.764 -24.031 663 HA ILE 90 HA ILE 90 0.123 -11.892 -21.421 664 HB ILE 90 HB ILE 90 -0.860 -14.345 -22.883 665 HG12 ILE 90 2HG1 ILE 90 -2.401 -11.797 -22.535 666 HG13 ILE 90 3HG1 ILE 90 -1.206 -11.923 -23.822 667 HG21 ILE 90 1HG2 ILE 90 -2.866 -13.859 -21.275 668 HG22 ILE 90 2HG2 ILE 90 -1.477 -14.789 -20.715 669 HG23 ILE 90 3HG2 ILE 90 -1.624 -13.083 -20.293 670 HD11 ILE 90 3HD1 ILE 90 -2.936 -12.681 -25.016 671 HD12 ILE 90 1HD1 ILE 90 -2.602 -14.206 -24.197 672 HD13 ILE 90 2HD1 ILE 90 -3.861 -13.133 -23.585 673 H GLU 91 H GLU 91 1.511 -14.941 -22.616 674 HA GLU 91 HA GLU 91 1.726 -16.257 -20.169 675 HB2 GLU 91 2HB GLU 91 2.222 -17.011 -22.660 676 HB3 GLU 91 3HB GLU 91 3.873 -16.611 -22.210 677 HG2 GLU 91 2HG GLU 91 3.585 -18.132 -20.228 678 HG3 GLU 91 3HG GLU 91 2.068 -18.658 -20.957 679 H GLU 92 H GLU 92 3.844 -13.899 -21.692 680 HA GLU 92 HA GLU 92 5.981 -14.191 -19.828 681 HB2 GLU 92 2HB GLU 92 5.914 -13.110 -22.232 682 HB3 GLU 92 3HB GLU 92 5.532 -11.648 -21.333 683 HG2 GLU 92 2HG GLU 92 7.629 -11.396 -20.633 684 HG3 GLU 92 3HG GLU 92 7.796 -13.103 -20.228 685 H ALA 93 H ALA 93 3.250 -11.960 -20.128 686 HA ALA 93 HA ALA 93 3.926 -10.238 -18.021 687 HB1 ALA 93 1HB ALA 93 1.558 -10.786 -19.645 688 HB2 ALA 93 2HB ALA 93 1.195 -10.198 -18.022 689 HB3 ALA 93 3HB ALA 93 2.228 -9.251 -19.093 690 H ILE 94 H ILE 94 2.127 -13.275 -18.067 691 HA ILE 94 HA ILE 94 1.444 -13.138 -15.277 692 HB ILE 94 HB ILE 94 0.604 -15.419 -15.557 693 HG12 ILE 94 2HG1 ILE 94 1.736 -15.201 -18.355 694 HG13 ILE 94 3HG1 ILE 94 2.330 -16.261 -17.082 695 HG21 ILE 94 1HG2 ILE 94 -0.367 -14.128 -18.032 696 HG22 ILE 94 2HG2 ILE 94 -1.265 -14.767 -16.656 697 HG23 ILE 94 3HG2 ILE 94 -0.488 -13.188 -16.545 698 HD11 ILE 94 3HD1 ILE 94 -0.144 -17.142 -17.123 699 HD12 ILE 94 1HD1 ILE 94 -0.107 -16.485 -18.759 700 HD13 ILE 94 2HD1 ILE 94 1.057 -17.720 -18.277 701 H GLN 95 H GLN 95 3.990 -14.561 -17.207 702 HA GLN 95 HA GLN 95 5.015 -16.288 -15.196 703 HB2 GLN 95 2HB GLN 95 5.470 -16.514 -17.644 704 HB3 GLN 95 3HB GLN 95 6.495 -15.089 -17.542 705 HG2 GLN 95 2HG GLN 95 8.032 -16.206 -16.104 706 HG3 GLN 95 3HG GLN 95 6.951 -17.588 -15.935 707 HE21 GLN 95 2HE2 GLN 95 9.649 -17.510 -18.844 708 HE22 GLN 95 1HE2 GLN 95 9.618 -16.428 -17.497 709 H LEU 96 H LEU 96 5.496 -12.924 -15.993 710 HA LEU 96 HA LEU 96 7.733 -12.676 -14.147 711 HB2 LEU 96 2HB LEU 96 7.794 -10.339 -14.872 712 HB3 LEU 96 3HB LEU 96 7.860 -11.460 -16.230 713 HG LEU 96 HG LEU 96 5.261 -10.997 -16.293 714 HD11 LEU 96 1HD1 LEU 96 5.736 -8.240 -15.695 715 HD12 LEU 96 2HD1 LEU 96 6.092 -9.225 -14.277 716 HD13 LEU 96 3HD1 LEU 96 4.508 -9.327 -15.046 717 HD21 LEU 96 3HD2 LEU 96 6.796 -10.561 -18.120 718 HD22 LEU 96 1HD2 LEU 96 7.356 -9.088 -17.326 719 HD23 LEU 96 2HD2 LEU 96 5.695 -9.198 -17.911 720 H TYR 97 H TYR 97 4.335 -11.841 -14.382 721 HA TYR 97 HA TYR 97 4.242 -10.137 -12.119 722 HB2 TYR 97 2HB TYR 97 2.494 -10.128 -13.844 723 HB3 TYR 97 3HB TYR 97 2.035 -11.767 -13.394 724 HD1 TYR 97 HD1 TYR 97 2.862 -8.894 -11.177 725 HD2 TYR 97 HD2 TYR 97 -0.151 -11.539 -12.602 726 HE1 TYR 97 HE1 TYR 97 1.291 -7.991 -9.514 727 HE2 TYR 97 HE2 TYR 97 -1.730 -10.642 -10.944 728 HH TYR 97 HH TYR 97 -0.785 -8.029 -8.731 729 H GLU 98 H GLU 98 3.625 -13.596 -12.571 730 HA GLU 98 HA GLU 98 2.982 -14.004 -9.794 731 HB2 GLU 98 2HB GLU 98 3.573 -16.039 -11.950 732 HB3 GLU 98 3HB GLU 98 2.849 -16.371 -10.382 733 HG2 GLU 98 2HG GLU 98 1.371 -14.338 -11.786 734 HG3 GLU 98 3HG GLU 98 1.534 -15.795 -12.764 735 H GLU 99 H GLU 99 5.822 -13.495 -11.413 736 HA GLU 99 HA GLU 99 7.406 -15.268 -9.703 737 HB2 GLU 99 2HB GLU 99 8.003 -15.322 -12.043 738 HB3 GLU 99 3HB GLU 99 8.166 -13.572 -12.084 739 HG2 GLU 99 2HG GLU 99 10.188 -13.590 -11.033 740 HG3 GLU 99 3HG GLU 99 9.852 -15.090 -10.170 741 H GLN 100 H GLN 100 6.554 -11.945 -10.154 742 HA GLN 100 HA GLN 100 8.608 -11.082 -8.247 743 HB2 GLN 100 2HB GLN 100 6.858 -9.593 -10.191 744 HB3 GLN 100 3HB GLN 100 7.727 -8.762 -8.908 745 HG2 GLN 100 2HG GLN 100 9.192 -10.582 -10.763 746 HG3 GLN 100 3HG GLN 100 8.769 -8.949 -11.273 747 HE21 GLN 100 2HE2 GLN 100 12.052 -9.489 -9.199 748 HE22 GLN 100 1HE2 GLN 100 11.211 -10.680 -10.125 749 H LEU 101 H LEU 101 5.163 -11.427 -8.662 750 HA LEU 101 HA LEU 101 4.365 -9.863 -6.435 751 HB2 LEU 101 2HB LEU 101 2.843 -10.457 -8.250 752 HB3 LEU 101 3HB LEU 101 2.959 -12.156 -7.798 753 HG LEU 101 HG LEU 101 2.023 -11.309 -5.508 754 HD11 LEU 101 1HD1 LEU 101 0.653 -9.384 -5.596 755 HD12 LEU 101 2HD1 LEU 101 0.875 -9.216 -7.337 756 HD13 LEU 101 3HD1 LEU 101 2.223 -8.906 -6.242 757 HD21 LEU 101 3HD2 LEU 101 -0.056 -11.232 -7.611 758 HD22 LEU 101 1HD2 LEU 101 0.036 -12.196 -6.137 759 HD23 LEU 101 2HD2 LEU 101 0.972 -12.665 -7.557 760 H LYS 102 H LYS 102 5.176 -13.267 -6.854 761 HA LYS 102 HA LYS 102 4.427 -14.025 -4.199 762 HB2 LYS 102 2HB LYS 102 5.557 -15.321 -6.567 763 HB3 LYS 102 3HB LYS 102 6.213 -15.943 -5.058 764 HG2 LYS 102 2HG LYS 102 4.272 -17.220 -5.839 765 HG3 LYS 102 3HG LYS 102 3.994 -16.470 -4.265 766 HD2 LYS 102 2HD LYS 102 2.295 -15.243 -5.043 767 HD3 LYS 102 3HD LYS 102 3.201 -14.756 -6.478 768 HE2 LYS 102 2HE LYS 102 2.243 -16.330 -7.757 769 HE3 LYS 102 3HE LYS 102 2.361 -17.558 -6.498 770 HZ1 LYS 102 3HZ LYS 102 0.168 -15.766 -7.139 771 HZ2 LYS 102 1HZ LYS 102 0.460 -15.998 -5.489 772 HZ3 LYS 102 2HZ LYS 102 0.138 -17.326 -6.485 773 H ALA 103 H ALA 103 7.416 -13.054 -5.783 774 HA ALA 103 HA ALA 103 9.254 -13.735 -3.811 775 HB1 ALA 103 1HB ALA 103 10.762 -12.276 -4.860 776 HB2 ALA 103 2HB ALA 103 9.688 -12.822 -6.149 777 HB3 ALA 103 3HB ALA 103 9.471 -11.222 -5.440 778 H GLN 104 H GLN 104 7.003 -11.066 -3.976 779 HA GLN 104 HA GLN 104 8.087 -10.004 -1.455 780 HB2 GLN 104 2HB GLN 104 6.152 -8.587 -3.279 781 HB3 GLN 104 3HB GLN 104 7.137 -7.896 -1.996 782 HG2 GLN 104 2HG GLN 104 8.949 -9.075 -3.756 783 HG3 GLN 104 3HG GLN 104 7.752 -8.280 -4.777 784 HE21 GLN 104 2HE2 GLN 104 10.623 -6.063 -3.506 785 HE22 GLN 104 1HE2 GLN 104 10.637 -7.732 -3.952 786 H ALA 105 H ALA 105 6.170 -12.303 -1.976 787 HA ALA 105 HA ALA 105 4.006 -11.338 -0.222 788 HB1 ALA 105 1HB ALA 105 3.139 -11.795 -2.449 789 HB2 ALA 105 2HB ALA 105 3.802 -13.429 -2.386 790 HB3 ALA 105 3HB ALA 105 2.509 -12.960 -1.283 791 H GLY 106 H GLY 106 6.652 -12.638 0.343 792 HA2 GLY 106 2HA GLY 106 6.969 -13.900 2.381 793 HA3 GLY 106 3HA GLY 106 5.572 -14.870 1.938 794 H GLY 107 H GLY 107 6.367 -15.208 -0.831 795 HA2 GLY 107 2HA GLY 107 8.284 -16.161 -2.003 796 HA3 GLY 107 3HA GLY 107 8.768 -16.891 -0.480 797 H THR 108 H THR 108 5.750 -16.798 -2.380 798 HA THR 108 HA THR 108 4.404 -18.459 -3.167 799 HB THR 108 HB THR 108 6.497 -20.539 -2.659 800 HG1 THR 108 HG1 THR 108 6.599 -18.461 -4.599 801 HG21 THR 108 3HG2 THR 108 4.115 -20.227 -4.276 802 HG22 THR 108 1HG2 THR 108 5.016 -21.688 -3.874 803 HG23 THR 108 2HG2 THR 108 5.504 -20.701 -5.253 804 H ASN 109 H ASN 109 3.570 -17.868 -0.858 805 HA ASN 109 HA ASN 109 2.603 -18.523 1.099 806 HB2 ASN 109 2HB ASN 109 2.537 -21.163 -0.379 807 HB3 ASN 109 3HB ASN 109 1.622 -20.809 1.083 808 HD21 ASN 109 2HD2 ASN 109 -0.570 -20.305 -1.838 809 HD22 ASN 109 1HD2 ASN 109 0.342 -21.615 -1.177 810 H GLU 110 H GLU 110 5.446 -18.528 1.096 811 HA GLU 110 HA GLU 110 7.211 -19.185 2.372 812 HB2 GLU 110 2HB GLU 110 4.845 -19.977 4.005 813 HB3 GLU 110 3HB GLU 110 6.426 -20.562 4.504 814 HG2 GLU 110 2HG GLU 110 7.024 -18.578 5.310 815 HG3 GLU 110 3HG GLU 110 6.429 -17.724 3.887 Start of MODEL 5 1 H1 MET 1 H MET 1 4.028 -2.541 -0.368 2 HA MET 1 HA MET 1 3.112 0.163 -1.093 3 HB2 MET 1 2HB MET 1 5.668 -1.271 -1.474 4 HB3 MET 1 3HB MET 1 5.118 -0.321 -2.848 5 HG2 MET 1 2HG MET 1 5.564 1.624 -1.842 6 HG3 MET 1 3HG MET 1 4.951 1.073 -0.285 7 HE1 MET 1 3HE MET 1 7.419 1.963 1.439 8 HE2 MET 1 1HE MET 1 8.468 2.571 0.157 9 HE3 MET 1 2HE MET 1 6.730 2.861 0.085 10 H ILE 2 H ILE 2 1.221 -0.259 -2.144 11 HA ILE 2 HA ILE 2 1.394 -2.012 -4.509 12 HB ILE 2 HB ILE 2 -1.120 -2.223 -4.274 13 HG12 ILE 2 2HG1 ILE 2 -0.740 -1.548 -1.383 14 HG13 ILE 2 3HG1 ILE 2 -1.049 -0.250 -2.531 15 HG21 ILE 2 1HG2 ILE 2 -0.945 -4.118 -2.919 16 HG22 ILE 2 2HG2 ILE 2 0.677 -3.908 -3.576 17 HG23 ILE 2 3HG2 ILE 2 0.322 -3.401 -1.924 18 HD11 ILE 2 3HD1 ILE 2 -3.028 -1.308 -1.287 19 HD12 ILE 2 1HD1 ILE 2 -3.175 -1.023 -3.021 20 HD13 ILE 2 2HD1 ILE 2 -2.831 -2.645 -2.419 21 HA PRO 3 HA PRO 3 0.602 2.328 -5.946 22 HB2 PRO 3 2HB PRO 3 2.362 2.208 -8.010 23 HB3 PRO 3 3HB PRO 3 2.835 2.665 -6.369 24 HG2 PRO 3 2HG PRO 3 3.106 0.024 -7.753 25 HG3 PRO 3 3HG PRO 3 4.273 0.872 -6.722 26 HD2 PRO 3 2HD PRO 3 2.739 -1.167 -5.815 27 HD3 PRO 3 3HD PRO 3 3.247 0.181 -4.777 28 H SER 4 H SER 4 -0.738 2.908 -7.601 29 HA SER 4 HA SER 4 -2.286 2.659 -9.250 30 HB2 SER 4 2HB SER 4 -0.284 2.483 -10.661 31 HB3 SER 4 3HB SER 4 -0.221 0.746 -10.367 32 HG SER 4 HG SER 4 -1.738 2.149 -12.132 33 H PHE 5 H PHE 5 -2.477 0.953 -6.917 34 HA PHE 5 HA PHE 5 -3.573 -0.888 -6.132 35 HB2 PHE 5 2HB PHE 5 -5.143 0.253 -8.305 36 HB3 PHE 5 3HB PHE 5 -5.478 -1.459 -8.071 37 HD1 PHE 5 HD1 PHE 5 -6.000 1.866 -6.844 38 HD2 PHE 5 HD2 PHE 5 -6.168 -2.253 -5.784 39 HE1 PHE 5 HE1 PHE 5 -7.460 2.418 -4.942 40 HE2 PHE 5 HE2 PHE 5 -7.630 -1.707 -3.882 41 HZ PHE 5 HZ PHE 5 -8.279 0.631 -3.459 42 H ALA 6 H ALA 6 -1.810 -2.330 -6.350 43 HA ALA 6 HA ALA 6 -0.842 -4.297 -6.962 44 HB1 ALA 6 1HB ALA 6 -3.295 -4.778 -8.642 45 HB2 ALA 6 2HB ALA 6 -2.182 -5.981 -7.991 46 HB3 ALA 6 3HB ALA 6 -3.223 -5.063 -6.903 47 HA PRO 7 HA PRO 7 0.664 -2.362 -10.860 48 HB2 PRO 7 2HB PRO 7 3.289 -2.568 -10.195 49 HB3 PRO 7 3HB PRO 7 2.271 -1.218 -9.681 50 HG2 PRO 7 2HG PRO 7 3.084 -3.663 -8.159 51 HG3 PRO 7 3HG PRO 7 3.011 -1.978 -7.612 52 HD2 PRO 7 2HD PRO 7 1.074 -3.781 -7.037 53 HD3 PRO 7 3HD PRO 7 0.732 -2.055 -7.272 54 H GLY 8 H GLY 8 0.757 -3.651 -12.584 55 HA2 GLY 8 2HA GLY 8 2.174 -5.267 -13.790 56 HA3 GLY 8 3HA GLY 8 2.175 -6.230 -12.320 57 H THR 9 H THR 9 -0.774 -4.686 -13.174 58 HA THR 9 HA THR 9 -1.974 -7.289 -13.698 59 HB THR 9 HB THR 9 -3.553 -4.746 -13.643 60 HG1 THR 9 HG1 THR 9 -3.579 -4.860 -11.368 61 HG21 THR 9 3HG2 THR 9 -5.141 -6.303 -12.430 62 HG22 THR 9 1HG2 THR 9 -4.031 -7.610 -12.840 63 HG23 THR 9 2HG2 THR 9 -4.824 -6.692 -14.121 64 H LEU 10 H LEU 10 -2.711 -7.950 -15.629 65 HA LEU 10 HA LEU 10 -2.251 -6.208 -17.924 66 HB2 LEU 10 2HB LEU 10 -1.405 -8.592 -17.779 67 HB3 LEU 10 3HB LEU 10 -3.083 -9.098 -17.965 68 HG LEU 10 HG LEU 10 -1.730 -7.349 -19.999 69 HD11 LEU 10 1HD1 LEU 10 -0.302 -9.231 -19.915 70 HD12 LEU 10 2HD1 LEU 10 -1.388 -9.494 -21.279 71 HD13 LEU 10 3HD1 LEU 10 -1.659 -10.347 -19.759 72 HD21 LEU 10 3HD2 LEU 10 -4.064 -7.380 -20.285 73 HD22 LEU 10 1HD2 LEU 10 -4.167 -9.107 -19.941 74 HD23 LEU 10 2HD2 LEU 10 -3.440 -8.550 -21.449 75 H VAL 11 H VAL 11 -3.869 -5.037 -18.693 76 HA VAL 11 HA VAL 11 -6.604 -6.126 -18.521 77 HB VAL 11 HB VAL 11 -7.379 -3.732 -18.481 78 HG11 VAL 11 1HG1 VAL 11 -6.789 -5.397 -16.452 79 HG12 VAL 11 2HG1 VAL 11 -5.757 -4.027 -16.037 80 HG13 VAL 11 3HG1 VAL 11 -7.495 -3.797 -16.228 81 HG21 VAL 11 3HG2 VAL 11 -5.406 -2.629 -19.304 82 HG22 VAL 11 1HG2 VAL 11 -5.733 -2.060 -17.667 83 HG23 VAL 11 2HG2 VAL 11 -4.451 -3.238 -17.952 84 H TRP 12 H TRP 12 -8.045 -4.642 -20.094 85 HA TRP 12 HA TRP 12 -6.670 -4.668 -22.701 86 HB2 TRP 12 2HB TRP 12 -9.321 -5.700 -21.845 87 HB3 TRP 12 3HB TRP 12 -9.239 -4.942 -23.433 88 HD1 TRP 12 HD1 TRP 12 -6.110 -6.763 -22.430 89 HE1 TRP 12 HE1 TRP 12 -5.928 -8.963 -23.755 90 HE3 TRP 12 HE3 TRP 12 -10.795 -6.869 -24.474 91 HZ2 TRP 12 HZ2 TRP 12 -7.555 -10.534 -25.444 92 HZ3 TRP 12 HZ3 TRP 12 -11.403 -8.755 -25.933 93 HH2 TRP 12 HH2 TRP 12 -9.815 -10.548 -26.407 94 H LEU 13 H LEU 13 -6.782 -2.888 -23.950 95 HA LEU 13 HA LEU 13 -8.462 -0.667 -22.985 96 HB2 LEU 13 2HB LEU 13 -5.675 -0.798 -23.403 97 HB3 LEU 13 3HB LEU 13 -6.334 0.229 -24.675 98 HG LEU 13 HG LEU 13 -7.440 0.975 -22.128 99 HD11 LEU 13 1HD1 LEU 13 -5.631 1.400 -20.808 100 HD12 LEU 13 2HD1 LEU 13 -4.513 1.479 -22.169 101 HD13 LEU 13 3HD1 LEU 13 -5.084 -0.085 -21.586 102 HD21 LEU 13 3HD2 LEU 13 -6.961 2.191 -24.448 103 HD22 LEU 13 1HD2 LEU 13 -5.502 2.679 -23.584 104 HD23 LEU 13 2HD2 LEU 13 -7.090 3.073 -22.925 105 H LYS 14 H LYS 14 -10.111 -0.263 -24.286 106 HA LYS 14 HA LYS 14 -9.841 -0.852 -27.154 107 HB2 LYS 14 2HB LYS 14 -11.700 -1.885 -25.654 108 HB3 LYS 14 3HB LYS 14 -12.454 -0.301 -25.781 109 HG2 LYS 14 2HG LYS 14 -11.587 -1.629 -28.289 110 HG3 LYS 14 3HG LYS 14 -13.013 -2.260 -27.461 111 HD2 LYS 14 2HD LYS 14 -13.382 0.485 -27.431 112 HD3 LYS 14 3HD LYS 14 -12.691 0.166 -29.024 113 HE2 LYS 14 2HE LYS 14 -14.926 -0.123 -29.457 114 HE3 LYS 14 3HE LYS 14 -14.451 -1.774 -29.059 115 HZ1 LYS 14 3HZ LYS 14 -15.102 -0.805 -26.650 116 HZ2 LYS 14 1HZ LYS 14 -16.173 -1.649 -27.652 117 HZ3 LYS 14 2HZ LYS 14 -16.191 0.042 -27.630 118 H GLN 15 H GLN 15 -9.107 0.947 -28.132 119 HA GLN 15 HA GLN 15 -9.643 3.585 -27.311 120 HB2 GLN 15 2HB GLN 15 -8.241 2.270 -29.482 121 HB3 GLN 15 3HB GLN 15 -9.084 3.707 -30.044 122 HG2 GLN 15 2HG GLN 15 -7.561 4.028 -27.551 123 HG3 GLN 15 3HG GLN 15 -6.605 3.714 -28.998 124 HE21 GLN 15 2HE2 GLN 15 -6.636 7.102 -29.672 125 HE22 GLN 15 1HE2 GLN 15 -5.736 5.654 -29.392 126 H ASP 16 H ASP 16 -10.715 5.229 -28.771 127 HA ASP 16 HA ASP 16 -13.453 4.609 -29.019 128 HB2 ASP 16 2HB ASP 16 -11.732 6.940 -29.731 129 HB3 ASP 16 3HB ASP 16 -13.349 6.858 -30.426 130 H ARG 17 H ARG 17 -10.988 5.225 -31.518 131 HA ARG 17 HA ARG 17 -12.796 4.087 -33.524 132 HB2 ARG 17 2HB ARG 17 -10.740 6.137 -33.546 133 HB3 ARG 17 3HB ARG 17 -10.483 4.950 -34.817 134 HG2 ARG 17 2HG ARG 17 -13.144 5.424 -35.069 135 HG3 ARG 17 3HG ARG 17 -12.553 7.001 -34.541 136 HD2 ARG 17 2HD ARG 17 -10.694 6.257 -36.417 137 HD3 ARG 17 3HD ARG 17 -12.194 5.613 -37.085 138 HE ARG 17 HE ARG 17 -12.905 7.757 -37.480 139 HH11 ARG 17 1HH1 ARG 17 -10.153 7.826 -35.348 140 HH12 ARG 17 2HH1 ARG 17 -9.969 9.547 -35.429 141 HH21 ARG 17 2HH2 ARG 17 -11.404 10.796 -36.706 142 HH22 ARG 17 1HH2 ARG 17 -12.673 10.023 -37.594 143 H PHE 18 H PHE 18 -9.777 3.527 -31.885 144 HA PHE 18 HA PHE 18 -8.998 1.372 -33.655 145 HB2 PHE 18 2HB PHE 18 -7.732 2.959 -31.588 146 HB3 PHE 18 3HB PHE 18 -7.424 1.243 -31.344 147 HD1 PHE 18 HD1 PHE 18 -7.680 3.424 -34.363 148 HD2 PHE 18 HD2 PHE 18 -5.350 0.659 -32.117 149 HE1 PHE 18 HE1 PHE 18 -5.932 3.498 -36.093 150 HE2 PHE 18 HE2 PHE 18 -3.598 0.729 -33.843 151 HZ PHE 18 HZ PHE 18 -3.887 2.150 -35.833 152 HA PRO 19 HA PRO 19 -10.872 -1.974 -31.524 153 HB2 PRO 19 2HB PRO 19 -8.986 -3.911 -31.770 154 HB3 PRO 19 3HB PRO 19 -9.973 -3.354 -33.126 155 HG2 PRO 19 2HG PRO 19 -7.171 -2.603 -32.389 156 HG3 PRO 19 3HG PRO 19 -7.848 -2.969 -33.987 157 HD2 PRO 19 2HD PRO 19 -7.428 -0.435 -33.127 158 HD3 PRO 19 3HD PRO 19 -8.759 -0.864 -34.221 159 H TRP 20 H TRP 20 -9.993 -3.929 -29.975 160 HA TRP 20 HA TRP 20 -8.904 -2.520 -27.647 161 HB2 TRP 20 2HB TRP 20 -9.767 -4.542 -26.394 162 HB3 TRP 20 3HB TRP 20 -10.999 -3.552 -27.173 163 HD1 TRP 20 HD1 TRP 20 -9.378 -7.000 -27.342 164 HE1 TRP 20 HE1 TRP 20 -10.791 -8.507 -28.878 165 HE3 TRP 20 HE3 TRP 20 -12.592 -3.483 -29.195 166 HZ2 TRP 20 HZ2 TRP 20 -12.978 -8.240 -30.642 167 HZ3 TRP 20 HZ3 TRP 20 -14.316 -4.191 -30.803 168 HH2 TRP 20 HH2 TRP 20 -14.503 -6.521 -31.510 169 H TRP 21 H TRP 21 -6.864 -2.829 -27.075 170 HA TRP 21 HA TRP 21 -5.558 -5.359 -27.835 171 HB2 TRP 21 2HB TRP 21 -3.423 -3.832 -27.782 172 HB3 TRP 21 3HB TRP 21 -4.451 -3.866 -29.212 173 HD1 TRP 21 HD1 TRP 21 -5.422 -1.607 -30.007 174 HE1 TRP 21 HE1 TRP 21 -5.409 0.798 -29.090 175 HE3 TRP 21 HE3 TRP 21 -3.449 -2.513 -25.378 176 HZ2 TRP 21 HZ2 TRP 21 -4.661 2.135 -26.719 177 HZ3 TRP 21 HZ3 TRP 21 -3.117 -0.616 -23.846 178 HH2 TRP 21 HH2 TRP 21 -3.710 1.658 -24.505 179 HA PRO 22 HA PRO 22 -4.494 -5.930 -23.615 180 HB2 PRO 22 2HB PRO 22 -2.119 -7.224 -23.845 181 HB3 PRO 22 3HB PRO 22 -3.668 -7.985 -24.227 182 HG2 PRO 22 2HG PRO 22 -1.649 -6.770 -26.073 183 HG3 PRO 22 3HG PRO 22 -2.563 -8.279 -26.251 184 HD2 PRO 22 2HD PRO 22 -3.263 -5.993 -27.523 185 HD3 PRO 22 3HD PRO 22 -4.458 -7.192 -26.988 186 H GLY 23 H GLY 23 -3.261 -5.077 -21.946 187 HA2 GLY 23 2HA GLY 23 -0.817 -3.638 -22.480 188 HA3 GLY 23 3HA GLY 23 -2.184 -2.594 -22.120 189 H PHE 24 H PHE 24 0.444 -3.676 -20.739 190 HA PHE 24 HA PHE 24 -0.631 -4.685 -18.251 191 HB2 PHE 24 2HB PHE 24 2.209 -3.790 -18.545 192 HB3 PHE 24 3HB PHE 24 1.555 -5.151 -17.640 193 HD1 PHE 24 HD1 PHE 24 0.087 -6.712 -19.487 194 HD2 PHE 24 HD2 PHE 24 3.674 -4.517 -20.145 195 HE1 PHE 24 HE1 PHE 24 0.668 -8.223 -21.340 196 HE2 PHE 24 HE2 PHE 24 4.260 -6.024 -21.999 197 HZ PHE 24 HZ PHE 24 2.756 -7.880 -22.600 198 H VAL 25 H VAL 25 -1.146 -3.521 -16.513 199 HA VAL 25 HA VAL 25 -0.936 -0.644 -16.622 200 HB VAL 25 HB VAL 25 -2.055 -2.432 -14.458 201 HG11 VAL 25 1HG1 VAL 25 -1.834 0.521 -14.744 202 HG12 VAL 25 2HG1 VAL 25 -3.285 -0.147 -13.996 203 HG13 VAL 25 3HG1 VAL 25 -1.698 -0.488 -13.304 204 HG21 VAL 25 3HG2 VAL 25 -4.035 -0.903 -15.805 205 HG22 VAL 25 1HG2 VAL 25 -3.061 -1.735 -17.017 206 HG23 VAL 25 2HG2 VAL 25 -3.855 -2.656 -15.739 207 H MET 26 H MET 26 0.800 0.421 -15.959 208 HA MET 26 HA MET 26 2.210 -0.516 -13.563 209 HB2 MET 26 2HB MET 26 3.561 0.380 -16.115 210 HB3 MET 26 3HB MET 26 4.379 -0.016 -14.609 211 HG2 MET 26 2HG MET 26 2.682 -2.184 -15.405 212 HG3 MET 26 3HG MET 26 3.754 -1.730 -16.727 213 HE1 MET 26 3HE MET 26 4.828 -4.946 -14.975 214 HE2 MET 26 1HE MET 26 4.017 -4.177 -16.340 215 HE3 MET 26 2HE MET 26 5.777 -4.279 -16.305 216 H ASP 27 H ASP 27 2.980 1.080 -12.234 217 HA ASP 27 HA ASP 27 1.968 3.754 -12.753 218 HB2 ASP 27 2HB ASP 27 2.338 4.196 -10.447 219 HB3 ASP 27 3HB ASP 27 1.708 2.553 -10.532 220 HA PRO 28 HA PRO 28 5.803 5.457 -14.072 221 HB2 PRO 28 2HB PRO 28 5.383 8.054 -13.400 222 HB3 PRO 28 3HB PRO 28 4.584 7.275 -14.771 223 HG2 PRO 28 2HG PRO 28 3.537 7.798 -12.015 224 HG3 PRO 28 3HG PRO 28 2.725 8.004 -13.578 225 HD2 PRO 28 2HD PRO 28 2.297 5.856 -11.986 226 HD3 PRO 28 3HD PRO 28 2.228 5.760 -13.757 227 H ASP 29 H ASP 29 4.647 6.336 -10.834 228 HA ASP 29 HA ASP 29 7.006 5.595 -9.526 229 HB2 ASP 29 2HB ASP 29 7.503 7.886 -10.867 230 HB3 ASP 29 3HB ASP 29 6.879 8.550 -9.359 231 H GLU 30 H GLU 30 4.363 5.132 -9.040 232 HA GLU 30 HA GLU 30 2.850 5.073 -7.341 233 HB2 GLU 30 2HB GLU 30 4.782 6.703 -5.701 234 HB3 GLU 30 3HB GLU 30 3.559 5.577 -5.131 235 HG2 GLU 30 2HG GLU 30 4.949 3.833 -6.485 236 HG3 GLU 30 3HG GLU 30 6.234 5.028 -6.318 237 H VAL 31 H VAL 31 1.646 6.528 -8.800 238 HA VAL 31 HA VAL 31 1.544 9.324 -7.965 239 HB VAL 31 HB VAL 31 -0.081 9.565 -9.858 240 HG11 VAL 31 1HG1 VAL 31 2.014 10.254 -10.480 241 HG12 VAL 31 2HG1 VAL 31 2.741 8.672 -10.192 242 HG13 VAL 31 3HG1 VAL 31 1.758 8.944 -11.632 243 HG21 VAL 31 3HG2 VAL 31 -0.760 7.836 -11.153 244 HG22 VAL 31 1HG2 VAL 31 0.764 6.966 -10.980 245 HG23 VAL 31 2HG2 VAL 31 -0.435 6.910 -9.688 246 H ARG 32 H ARG 32 0.436 6.819 -6.515 247 HA ARG 32 HA ARG 32 -2.401 7.336 -6.419 248 HB2 ARG 32 2HB ARG 32 -0.862 5.136 -5.886 249 HB3 ARG 32 3HB ARG 32 -1.228 5.715 -4.266 250 HG2 ARG 32 2HG ARG 32 -3.625 5.668 -4.811 251 HG3 ARG 32 3HG ARG 32 -3.229 5.026 -6.407 252 HD2 ARG 32 2HD ARG 32 -3.226 2.974 -5.562 253 HD3 ARG 32 3HD ARG 32 -1.890 3.425 -4.505 254 HE ARG 32 HE ARG 32 -4.494 4.194 -3.534 255 HH11 ARG 32 1HH1 ARG 32 -2.057 1.709 -3.612 256 HH12 ARG 32 2HH1 ARG 32 -2.596 0.952 -2.150 257 HH21 ARG 32 2HH2 ARG 32 -4.391 1.805 -1.010 258 HH22 ARG 32 1HH2 ARG 32 -5.213 3.207 -1.607 259 H ASP 33 H ASP 33 0.419 7.958 -4.394 260 HA ASP 33 HA ASP 33 -1.273 9.447 -2.511 261 HB2 ASP 33 2HB ASP 33 0.042 7.947 -1.282 262 HB3 ASP 33 3HB ASP 33 1.459 8.215 -2.293 263 H ILE 34 H ILE 34 1.343 9.774 -4.796 264 HA ILE 34 HA ILE 34 1.556 12.638 -4.164 265 HB ILE 34 HB ILE 34 3.417 10.974 -5.861 266 HG12 ILE 34 2HG1 ILE 34 4.860 11.644 -3.664 267 HG13 ILE 34 3HG1 ILE 34 3.265 11.451 -2.946 268 HG21 ILE 34 1HG2 ILE 34 4.542 13.360 -4.724 269 HG22 ILE 34 2HG2 ILE 34 4.424 12.874 -6.414 270 HG23 ILE 34 3HG2 ILE 34 3.094 13.746 -5.653 271 HD11 ILE 34 3HD1 ILE 34 5.118 9.450 -3.984 272 HD12 ILE 34 1HD1 ILE 34 3.842 9.304 -2.776 273 HD13 ILE 34 2HD1 ILE 34 3.445 9.223 -4.493 274 H THR 35 H THR 35 0.223 13.834 -5.353 275 HA THR 35 HA THR 35 -0.209 13.096 -8.170 276 HB THR 35 HB THR 35 -1.939 15.116 -6.818 277 HG1 THR 35 HG1 THR 35 -1.962 12.319 -6.329 278 HG21 THR 35 3HG2 THR 35 -3.657 13.932 -8.228 279 HG22 THR 35 1HG2 THR 35 -2.340 12.974 -8.903 280 HG23 THR 35 2HG2 THR 35 -2.366 14.722 -9.132 281 H LEU 36 H LEU 36 1.271 14.157 -9.358 282 HA LEU 36 HA LEU 36 1.587 17.049 -8.887 283 HB2 LEU 36 2HB LEU 36 3.521 15.006 -9.949 284 HB3 LEU 36 3HB LEU 36 3.775 16.741 -10.128 285 HG LEU 36 HG LEU 36 3.511 15.331 -7.475 286 HD11 LEU 36 1HD1 LEU 36 5.524 14.698 -8.899 287 HD12 LEU 36 2HD1 LEU 36 5.847 15.322 -7.282 288 HD13 LEU 36 3HD1 LEU 36 6.054 16.366 -8.688 289 HD21 LEU 36 3HD2 LEU 36 3.670 18.117 -8.319 290 HD22 LEU 36 1HD2 LEU 36 4.890 17.677 -7.124 291 HD23 LEU 36 2HD2 LEU 36 3.180 17.425 -6.771 292 HA PRO 37 HA PRO 37 -0.012 17.880 -12.891 293 HB2 PRO 37 2HB PRO 37 1.409 20.092 -13.569 294 HB3 PRO 37 3HB PRO 37 0.129 20.109 -12.350 295 HG2 PRO 37 2HG PRO 37 3.096 19.966 -11.978 296 HG3 PRO 37 3HG PRO 37 1.901 20.927 -11.087 297 HD2 PRO 37 2HD PRO 37 2.920 18.612 -10.122 298 HD3 PRO 37 3HD PRO 37 1.264 19.146 -9.770 299 H GLU 38 H GLU 38 0.344 17.019 -14.838 300 HA GLU 38 HA GLU 38 2.761 17.285 -16.283 301 HB2 GLU 38 2HB GLU 38 3.140 15.429 -14.424 302 HB3 GLU 38 3HB GLU 38 2.304 14.419 -15.596 303 HG2 GLU 38 2HG GLU 38 4.864 15.942 -16.001 304 HG3 GLU 38 3HG GLU 38 4.654 14.193 -15.932 305 H GLY 39 H GLY 39 0.304 14.713 -15.936 306 HA2 GLY 39 2HA GLY 39 -1.615 14.978 -17.577 307 HA3 GLY 39 3HA GLY 39 -0.348 15.116 -18.787 308 H SER 40 H SER 40 0.828 12.995 -16.606 309 HA SER 40 HA SER 40 -0.508 10.659 -17.778 310 HB2 SER 40 2HB SER 40 1.989 9.701 -17.725 311 HB3 SER 40 3HB SER 40 1.335 10.533 -19.136 312 HG SER 40 HG SER 40 2.619 12.177 -18.773 313 H ASP 41 H ASP 41 -1.417 9.761 -16.039 314 HA ASP 41 HA ASP 41 0.150 9.571 -13.560 315 HB2 ASP 41 2HB ASP 41 -2.440 10.413 -13.938 316 HB3 ASP 41 3HB ASP 41 -2.659 8.737 -13.443 317 H VAL 42 H VAL 42 -1.438 7.709 -16.038 318 HA VAL 42 HA VAL 42 -0.562 5.233 -14.697 319 HB VAL 42 HB VAL 42 -2.853 5.570 -16.638 320 HG11 VAL 42 1HG1 VAL 42 -3.337 3.221 -16.165 321 HG12 VAL 42 2HG1 VAL 42 -1.737 3.412 -16.884 322 HG13 VAL 42 3HG1 VAL 42 -1.897 3.125 -15.151 323 HG21 VAL 42 3HG2 VAL 42 -3.474 4.514 -14.008 324 HG22 VAL 42 1HG2 VAL 42 -2.788 6.137 -13.932 325 HG23 VAL 42 2HG2 VAL 42 -4.229 5.833 -14.902 326 H TRP 43 H TRP 43 0.674 3.809 -15.817 327 HA TRP 43 HA TRP 43 1.468 4.616 -18.536 328 HB2 TRP 43 2HB TRP 43 3.039 4.146 -16.261 329 HB3 TRP 43 3HB TRP 43 3.282 2.737 -17.290 330 HD1 TRP 43 HD1 TRP 43 2.885 6.424 -18.418 331 HE1 TRP 43 HE1 TRP 43 4.976 7.066 -19.775 332 HE3 TRP 43 HE3 TRP 43 5.575 2.113 -17.855 333 HZ2 TRP 43 HZ2 TRP 43 7.439 5.900 -20.510 334 HZ3 TRP 43 HZ3 TRP 43 7.789 1.957 -18.917 335 HH2 TRP 43 HH2 TRP 43 8.700 3.812 -20.217 336 H VAL 44 H VAL 44 0.499 3.402 -20.021 337 HA VAL 44 HA VAL 44 -0.116 0.601 -19.423 338 HB VAL 44 HB VAL 44 -1.019 2.340 -21.723 339 HG11 VAL 44 1HG1 VAL 44 -1.312 0.335 -22.710 340 HG12 VAL 44 2HG1 VAL 44 -1.252 -0.545 -21.181 341 HG13 VAL 44 3HG1 VAL 44 -2.740 0.261 -21.678 342 HG21 VAL 44 3HG2 VAL 44 -1.884 2.296 -19.074 343 HG22 VAL 44 1HG2 VAL 44 -2.719 3.009 -20.454 344 HG23 VAL 44 2HG2 VAL 44 -3.083 1.356 -19.961 345 H CYS 45 H CYS 45 1.329 -0.867 -20.013 346 HA CYS 45 HA CYS 45 3.142 -0.294 -22.238 347 HB2 CYS 45 2HB CYS 45 3.249 -2.570 -20.249 348 HB3 CYS 45 3HB CYS 45 4.508 -2.109 -21.388 349 HG CYS 45 HG CYS 45 3.796 0.503 -19.554 350 H CYS 46 H CYS 46 2.055 -0.761 -24.088 351 HA CYS 46 HA CYS 46 0.365 -3.048 -24.368 352 HB2 CYS 46 2HB CYS 46 0.424 -0.757 -25.688 353 HB3 CYS 46 3HB CYS 46 1.517 -1.646 -26.742 354 HG CYS 46 HG CYS 46 -0.596 -2.183 -28.168 355 H LEU 47 H LEU 47 0.738 -4.653 -26.165 356 HA LEU 47 HA LEU 47 3.116 -6.092 -25.652 357 HB2 LEU 47 2HB LEU 47 2.144 -7.770 -26.795 358 HB3 LEU 47 3HB LEU 47 0.707 -6.768 -26.600 359 HG LEU 47 HG LEU 47 2.456 -6.867 -29.058 360 HD11 LEU 47 1HD1 LEU 47 0.974 -8.889 -28.442 361 HD12 LEU 47 2HD1 LEU 47 0.867 -8.218 -30.069 362 HD13 LEU 47 3HD1 LEU 47 -0.370 -7.832 -28.874 363 HD21 LEU 47 3HD2 LEU 47 1.543 -4.865 -29.449 364 HD22 LEU 47 1HD2 LEU 47 0.353 -5.054 -28.161 365 HD23 LEU 47 2HD2 LEU 47 0.050 -5.755 -29.751 366 HA PRO 48 HA PRO 48 5.987 -4.594 -28.614 367 HB2 PRO 48 2HB PRO 48 7.200 -6.875 -29.450 368 HB3 PRO 48 3HB PRO 48 7.460 -6.181 -27.845 369 HG2 PRO 48 2HG PRO 48 5.667 -8.433 -28.667 370 HG3 PRO 48 3HG PRO 48 6.731 -8.309 -27.254 371 HD2 PRO 48 2HD PRO 48 4.061 -7.884 -27.109 372 HD3 PRO 48 3HD PRO 48 5.221 -7.029 -26.073 373 H ARG 49 H ARG 49 5.051 -3.732 -30.396 374 HA ARG 49 HA ARG 49 4.884 -5.356 -32.763 375 HB2 ARG 49 2HB ARG 49 2.574 -5.028 -33.264 376 HB3 ARG 49 3HB ARG 49 2.660 -5.687 -31.636 377 HG2 ARG 49 2HG ARG 49 1.175 -4.040 -31.231 378 HG3 ARG 49 3HG ARG 49 2.647 -3.087 -31.034 379 HD2 ARG 49 2HD ARG 49 2.191 -1.835 -32.826 380 HD3 ARG 49 3HD ARG 49 1.787 -3.246 -33.804 381 HE ARG 49 HE ARG 49 -0.413 -2.788 -33.438 382 HH11 ARG 49 1HH1 ARG 49 1.462 -1.264 -30.932 383 HH12 ARG 49 2HH1 ARG 49 0.100 -0.467 -30.217 384 HH21 ARG 49 2HH2 ARG 49 -1.990 -0.741 -31.112 385 HH22 ARG 49 1HH2 ARG 49 -2.214 -1.744 -32.506 386 H ASP 50 H ASP 50 4.451 -2.267 -31.165 387 HA ASP 50 HA ASP 50 5.024 -0.901 -33.711 388 HB2 ASP 50 2HB ASP 50 3.065 -0.400 -31.703 389 HB3 ASP 50 3HB ASP 50 4.197 0.950 -31.706 390 H SER 51 H SER 51 6.760 -2.114 -31.426 391 HA SER 51 HA SER 51 8.859 -1.699 -30.636 392 HB2 SER 51 2HB SER 51 8.950 -0.397 -32.923 393 HB3 SER 51 3HB SER 51 8.914 1.026 -31.881 394 HG SER 51 HG SER 51 10.702 -0.227 -30.734 395 H LEU 52 H LEU 52 7.288 -1.490 -28.709 396 HA LEU 52 HA LEU 52 6.903 -0.568 -26.666 397 HB2 LEU 52 2HB LEU 52 9.346 0.698 -27.602 398 HB3 LEU 52 3HB LEU 52 8.430 1.733 -26.508 399 HG LEU 52 HG LEU 52 8.540 0.067 -24.767 400 HD11 LEU 52 1HD1 LEU 52 8.465 -2.036 -25.613 401 HD12 LEU 52 2HD1 LEU 52 10.209 -1.908 -25.390 402 HD13 LEU 52 3HD1 LEU 52 9.502 -1.645 -26.984 403 HD21 LEU 52 3HD2 LEU 52 10.520 0.880 -24.189 404 HD22 LEU 52 1HD2 LEU 52 10.756 1.426 -25.849 405 HD23 LEU 52 2HD2 LEU 52 11.328 -0.167 -25.356 406 H THR 53 H THR 53 4.789 -0.042 -27.549 407 HA THR 53 HA THR 53 4.381 2.764 -28.266 408 HB THR 53 HB THR 53 2.001 1.055 -28.126 409 HG1 THR 53 HG1 THR 53 4.254 0.315 -29.651 410 HG21 THR 53 3HG2 THR 53 3.239 2.744 -30.302 411 HG22 THR 53 1HG2 THR 53 1.985 3.254 -29.173 412 HG23 THR 53 2HG2 THR 53 1.639 2.006 -30.370 413 H LEU 54 H LEU 54 5.129 2.240 -25.592 414 HA LEU 54 HA LEU 54 3.089 1.973 -23.746 415 HB2 LEU 54 2HB LEU 54 5.376 3.897 -23.424 416 HB3 LEU 54 3HB LEU 54 4.515 3.014 -22.164 417 HG LEU 54 HG LEU 54 5.655 1.096 -23.906 418 HD11 LEU 54 1HD1 LEU 54 7.205 2.697 -24.745 419 HD12 LEU 54 2HD1 LEU 54 8.064 1.685 -23.584 420 HD13 LEU 54 3HD1 LEU 54 7.544 3.307 -23.125 421 HD21 LEU 54 3HD2 LEU 54 6.309 0.172 -21.954 422 HD22 LEU 54 1HD2 LEU 54 5.228 1.383 -21.264 423 HD23 LEU 54 2HD2 LEU 54 6.965 1.686 -21.330 424 H SER 55 H SER 55 1.347 3.131 -23.275 425 HA SER 55 HA SER 55 1.243 5.931 -24.188 426 HB2 SER 55 2HB SER 55 -0.515 3.774 -24.698 427 HB3 SER 55 3HB SER 55 -1.365 4.869 -23.608 428 HG SER 55 HG SER 55 -1.755 5.634 -25.625 429 H ALA 56 H ALA 56 1.127 7.446 -22.676 430 HA ALA 56 HA ALA 56 0.325 6.650 -19.955 431 HB1 ALA 56 1HB ALA 56 1.896 9.130 -20.501 432 HB2 ALA 56 2HB ALA 56 1.864 8.112 -19.060 433 HB3 ALA 56 3HB ALA 56 2.705 7.563 -20.509 434 H ALA 57 H ALA 57 -1.178 7.840 -18.844 435 HA ALA 57 HA ALA 57 -2.206 10.319 -19.920 436 HB1 ALA 57 1HB ALA 57 -4.595 9.070 -19.671 437 HB2 ALA 57 2HB ALA 57 -3.735 9.278 -21.198 438 HB3 ALA 57 3HB ALA 57 -3.599 7.761 -20.308 439 H ASN 58 H ASN 58 -3.208 11.562 -18.391 440 HA ASN 58 HA ASN 58 -3.425 10.382 -15.699 441 HB2 ASN 58 2HB ASN 58 -1.635 12.008 -15.764 442 HB3 ASN 58 3HB ASN 58 -2.691 13.200 -16.516 443 HD21 ASN 58 2HD2 ASN 58 -2.757 14.366 -13.171 444 HD22 ASN 58 1HD2 ASN 58 -1.886 14.469 -14.659 445 H SER 59 H SER 59 -5.526 9.964 -15.384 446 HA SER 59 HA SER 59 -7.784 10.227 -15.236 447 HB2 SER 59 2HB SER 59 -6.811 12.119 -13.743 448 HB3 SER 59 3HB SER 59 -7.343 13.196 -15.035 449 HG SER 59 HG SER 59 -8.864 11.604 -13.297 450 H GLU 60 H GLU 60 -6.605 10.315 -17.883 451 HA GLU 60 HA GLU 60 -8.594 11.995 -19.265 452 HB2 GLU 60 2HB GLU 60 -5.762 11.303 -19.946 453 HB3 GLU 60 3HB GLU 60 -6.902 11.647 -21.239 454 HG2 GLU 60 2HG GLU 60 -7.397 13.821 -20.107 455 HG3 GLU 60 3HG GLU 60 -6.068 13.474 -19.003 456 H ASP 61 H ASP 61 -7.190 8.837 -18.919 457 HA ASP 61 HA ASP 61 -8.655 7.754 -21.184 458 HB2 ASP 61 2HB ASP 61 -6.353 6.970 -20.643 459 HB3 ASP 61 3HB ASP 61 -6.968 6.307 -19.131 460 H GLU 62 H GLU 62 -10.776 7.499 -20.890 461 HA GLU 62 HA GLU 62 -11.670 5.888 -18.626 462 HB2 GLU 62 2HB GLU 62 -13.459 7.392 -18.033 463 HB3 GLU 62 3HB GLU 62 -11.935 8.264 -17.950 464 HG2 GLU 62 2HG GLU 62 -12.388 9.272 -20.126 465 HG3 GLU 62 3HG GLU 62 -13.915 8.397 -20.213 466 H GLY 63 H GLY 63 -11.439 5.987 -21.743 467 HA2 GLY 63 2HA GLY 63 -14.037 5.834 -22.807 468 HA3 GLY 63 3HA GLY 63 -12.601 5.111 -23.517 469 H GLN 64 H GLN 64 -12.315 2.946 -23.399 470 HA GLN 64 HA GLN 64 -14.190 1.419 -21.724 471 HB2 GLN 64 2HB GLN 64 -15.069 1.260 -23.935 472 HB3 GLN 64 3HB GLN 64 -13.477 0.957 -24.617 473 HG2 GLN 64 2HG GLN 64 -13.633 -1.230 -24.269 474 HG3 GLN 64 3HG GLN 64 -14.203 -1.008 -22.616 475 HE21 GLN 64 2HE2 GLN 64 -17.666 -0.838 -23.649 476 HE22 GLN 64 1HE2 GLN 64 -16.542 0.029 -22.664 477 H ILE 65 H ILE 65 -13.211 0.035 -20.409 478 HA ILE 65 HA ILE 65 -10.665 -1.167 -21.221 479 HB ILE 65 HB ILE 65 -10.009 0.704 -19.837 480 HG12 ILE 65 2HG1 ILE 65 -9.725 -1.464 -17.844 481 HG13 ILE 65 3HG1 ILE 65 -9.199 -1.856 -19.477 482 HG21 ILE 65 1HG2 ILE 65 -12.393 0.112 -18.440 483 HG22 ILE 65 2HG2 ILE 65 -11.060 -0.040 -17.297 484 HG23 ILE 65 3HG2 ILE 65 -11.287 1.463 -18.190 485 HD11 ILE 65 3HD1 ILE 65 -7.525 -0.864 -17.757 486 HD12 ILE 65 1HD1 ILE 65 -7.491 -0.325 -19.435 487 HD13 ILE 65 2HD1 ILE 65 -8.269 0.671 -18.204 488 H ARG 66 H ARG 66 -10.305 -3.220 -20.449 489 HA ARG 66 HA ARG 66 -12.416 -4.380 -18.755 490 HB2 ARG 66 2HB ARG 66 -12.388 -4.948 -21.315 491 HB3 ARG 66 3HB ARG 66 -11.059 -6.009 -20.869 492 HG2 ARG 66 2HG ARG 66 -12.477 -7.551 -20.163 493 HG3 ARG 66 3HG ARG 66 -13.225 -6.404 -19.051 494 HD2 ARG 66 2HD ARG 66 -15.010 -6.989 -20.387 495 HD3 ARG 66 3HD ARG 66 -14.425 -5.533 -21.191 496 HE ARG 66 HE ARG 66 -13.104 -7.591 -22.418 497 HH11 ARG 66 1HH1 ARG 66 -16.440 -6.762 -21.868 498 HH12 ARG 66 2HH1 ARG 66 -17.005 -7.529 -23.315 499 HH21 ARG 66 2HH2 ARG 66 -15.523 -8.577 -24.712 500 HH22 ARG 66 1HH2 ARG 66 -13.835 -8.604 -24.326 501 H TYR 67 H TYR 67 -11.790 -5.996 -17.315 502 HA TYR 67 HA TYR 67 -8.976 -5.922 -16.593 503 HB2 TYR 67 2HB TYR 67 -11.281 -7.277 -15.180 504 HB3 TYR 67 3HB TYR 67 -9.670 -7.004 -14.526 505 HD1 TYR 67 HD1 TYR 67 -12.906 -5.500 -15.275 506 HD2 TYR 67 HD2 TYR 67 -8.962 -4.750 -13.866 507 HE1 TYR 67 HE1 TYR 67 -13.645 -3.332 -14.380 508 HE2 TYR 67 HE2 TYR 67 -9.690 -2.580 -12.965 509 HH TYR 67 HH TYR 67 -13.032 -1.450 -13.374 510 H PHE 68 H PHE 68 -7.605 -7.371 -17.362 511 HA PHE 68 HA PHE 68 -8.627 -9.998 -18.192 512 HB2 PHE 68 2HB PHE 68 -6.928 -8.168 -19.475 513 HB3 PHE 68 3HB PHE 68 -5.887 -9.493 -18.964 514 HD1 PHE 68 HD1 PHE 68 -9.366 -9.280 -20.304 515 HD2 PHE 68 HD2 PHE 68 -5.467 -10.944 -20.683 516 HE1 PHE 68 HE1 PHE 68 -10.125 -10.611 -22.229 517 HE2 PHE 68 HE2 PHE 68 -6.219 -12.276 -22.610 518 HZ PHE 68 HZ PHE 68 -8.550 -12.110 -23.386 519 H LEU 69 H LEU 69 -7.715 -11.888 -17.454 520 HA LEU 69 HA LEU 69 -5.345 -12.139 -16.002 521 HB2 LEU 69 2HB LEU 69 -7.539 -11.082 -14.489 522 HB3 LEU 69 3HB LEU 69 -7.104 -12.674 -13.872 523 HG LEU 69 HG LEU 69 -5.007 -10.572 -14.276 524 HD11 LEU 69 1HD1 LEU 69 -6.775 -10.887 -11.855 525 HD12 LEU 69 2HD1 LEU 69 -6.731 -9.501 -12.944 526 HD13 LEU 69 3HD1 LEU 69 -5.327 -9.883 -11.947 527 HD21 LEU 69 3HD2 LEU 69 -3.826 -11.817 -12.606 528 HD22 LEU 69 1HD2 LEU 69 -4.405 -12.948 -13.829 529 HD23 LEU 69 2HD2 LEU 69 -5.241 -12.820 -12.282 530 HA PRO 70 HA PRO 70 -7.978 -16.129 -15.346 531 HB2 PRO 70 2HB PRO 70 -10.596 -16.038 -16.059 532 HB3 PRO 70 3HB PRO 70 -10.025 -15.612 -14.441 533 HG2 PRO 70 2HG PRO 70 -10.733 -13.821 -16.733 534 HG3 PRO 70 3HG PRO 70 -11.127 -13.646 -15.013 535 HD2 PRO 70 2HD PRO 70 -9.107 -12.281 -16.190 536 HD3 PRO 70 3HD PRO 70 -9.048 -12.798 -14.493 537 H ASP 71 H ASP 71 -8.119 -14.091 -18.075 538 HA ASP 71 HA ASP 71 -8.146 -14.447 -20.327 539 HB2 ASP 71 2HB ASP 71 -7.098 -17.215 -19.846 540 HB3 ASP 71 3HB ASP 71 -6.648 -16.056 -21.094 541 H ARG 72 H ARG 72 -10.554 -15.133 -18.917 542 HA ARG 72 HA ARG 72 -11.641 -17.099 -20.813 543 HB2 ARG 72 2HB ARG 72 -11.908 -17.039 -17.834 544 HB3 ARG 72 3HB ARG 72 -13.247 -17.644 -18.800 545 HG2 ARG 72 2HG ARG 72 -12.014 -19.446 -19.604 546 HG3 ARG 72 3HG ARG 72 -10.473 -18.701 -19.179 547 HD2 ARG 72 2HD ARG 72 -11.584 -18.840 -16.744 548 HD3 ARG 72 3HD ARG 72 -12.384 -20.214 -17.505 549 HE ARG 72 HE ARG 72 -9.559 -20.222 -17.934 550 HH11 ARG 72 1HH1 ARG 72 -12.067 -21.022 -15.655 551 HH12 ARG 72 2HH1 ARG 72 -11.132 -22.244 -14.857 552 HH21 ARG 72 2HH2 ARG 72 -9.000 -22.700 -15.561 553 HH22 ARG 72 1HH2 ARG 72 -8.319 -21.828 -16.891 554 H ASP 73 H ASP 73 -11.598 -14.088 -20.548 555 HA ASP 73 HA ASP 73 -14.442 -13.509 -20.207 556 HB2 ASP 73 2HB ASP 73 -12.585 -12.061 -19.212 557 HB3 ASP 73 3HB ASP 73 -12.274 -11.518 -20.859 558 H GLU 74 H GLU 74 -13.615 -15.104 -22.445 559 HA GLU 74 HA GLU 74 -13.992 -15.308 -24.679 560 HB2 GLU 74 2HB GLU 74 -15.559 -12.741 -24.385 561 HB3 GLU 74 3HB GLU 74 -15.712 -13.924 -25.677 562 HG2 GLU 74 2HG GLU 74 -16.110 -15.345 -23.302 563 HG3 GLU 74 3HG GLU 74 -17.005 -13.837 -23.119 564 H GLY 75 H GLY 75 -11.571 -14.168 -23.999 565 HA2 GLY 75 2HA GLY 75 -11.116 -12.458 -26.343 566 HA3 GLY 75 3HA GLY 75 -10.542 -11.908 -24.775 567 H MET 76 H MET 76 -9.742 -14.477 -23.797 568 HA MET 76 HA MET 76 -7.101 -14.571 -24.560 569 HB2 MET 76 2HB MET 76 -7.961 -15.676 -22.552 570 HB3 MET 76 3HB MET 76 -8.799 -16.859 -23.547 571 HG2 MET 76 2HG MET 76 -6.473 -17.416 -24.480 572 HG3 MET 76 3HG MET 76 -5.863 -16.542 -23.077 573 HE1 MET 76 3HE MET 76 -7.045 -19.818 -24.488 574 HE2 MET 76 1HE MET 76 -5.386 -19.713 -23.897 575 HE3 MET 76 2HE MET 76 -6.522 -20.833 -23.143 576 H MET 77 H MET 77 -9.866 -16.083 -26.070 577 HA MET 77 HA MET 77 -8.547 -17.962 -27.674 578 HB2 MET 77 2HB MET 77 -10.559 -17.822 -29.130 579 HB3 MET 77 3HB MET 77 -10.944 -18.031 -27.427 580 HG2 MET 77 2HG MET 77 -11.263 -15.531 -27.322 581 HG3 MET 77 3HG MET 77 -11.170 -15.537 -29.081 582 HE1 MET 77 3HE MET 77 -14.050 -14.487 -27.460 583 HE2 MET 77 1HE MET 77 -13.261 -14.271 -29.023 584 HE3 MET 77 2HE MET 77 -14.871 -14.986 -28.940 585 H GLU 78 H GLU 78 -9.286 -14.546 -28.227 586 HA GLU 78 HA GLU 78 -7.970 -14.617 -30.824 587 HB2 GLU 78 2HB GLU 78 -9.439 -12.453 -29.321 588 HB3 GLU 78 3HB GLU 78 -8.599 -12.155 -30.836 589 HG2 GLU 78 2HG GLU 78 -10.367 -14.434 -31.027 590 HG3 GLU 78 3HG GLU 78 -11.222 -12.978 -30.521 591 H GLU 79 H GLU 79 -7.224 -13.925 -27.568 592 HA GLU 79 HA GLU 79 -4.876 -12.333 -28.312 593 HB2 GLU 79 2HB GLU 79 -6.680 -12.181 -26.159 594 HB3 GLU 79 3HB GLU 79 -5.163 -12.745 -25.473 595 HG2 GLU 79 2HG GLU 79 -5.355 -10.315 -25.398 596 HG3 GLU 79 3HG GLU 79 -3.997 -10.838 -26.394 597 H GLY 80 H GLY 80 -5.303 -15.340 -28.573 598 HA2 GLY 80 2HA GLY 80 -2.654 -16.069 -27.699 599 HA3 GLY 80 3HA GLY 80 -3.931 -16.888 -26.812 600 H LYS 81 H LYS 81 -5.766 -17.133 -28.981 601 HA LYS 81 HA LYS 81 -4.426 -19.286 -30.450 602 HB2 LYS 81 2HB LYS 81 -6.885 -19.153 -29.147 603 HB3 LYS 81 3HB LYS 81 -7.297 -19.081 -30.856 604 HG2 LYS 81 2HG LYS 81 -6.540 -21.193 -31.274 605 HG3 LYS 81 3HG LYS 81 -5.360 -21.149 -29.962 606 HD2 LYS 81 2HD LYS 81 -8.301 -21.129 -29.383 607 HD3 LYS 81 3HD LYS 81 -7.455 -22.644 -29.709 608 HE2 LYS 81 2HE LYS 81 -5.802 -21.438 -27.896 609 HE3 LYS 81 3HE LYS 81 -7.394 -20.918 -27.344 610 HZ1 LYS 81 3HZ LYS 81 -8.017 -23.361 -27.532 611 HZ2 LYS 81 1HZ LYS 81 -7.006 -22.922 -26.249 612 HZ3 LYS 81 2HZ LYS 81 -6.357 -23.672 -27.618 613 H LEU 82 H LEU 82 -4.492 -16.260 -31.016 614 HA LEU 82 HA LEU 82 -5.268 -16.519 -33.845 615 HB2 LEU 82 2HB LEU 82 -6.154 -14.622 -31.862 616 HB3 LEU 82 3HB LEU 82 -5.361 -13.801 -33.205 617 HG LEU 82 HG LEU 82 -7.806 -13.939 -33.470 618 HD11 LEU 82 1HD1 LEU 82 -6.376 -15.633 -35.508 619 HD12 LEU 82 2HD1 LEU 82 -6.238 -13.878 -35.411 620 HD13 LEU 82 3HD1 LEU 82 -7.799 -14.621 -35.756 621 HD21 LEU 82 3HD2 LEU 82 -7.566 -16.871 -33.975 622 HD22 LEU 82 1HD2 LEU 82 -8.989 -15.910 -33.575 623 HD23 LEU 82 2HD2 LEU 82 -7.801 -16.287 -32.327 624 H ASP 83 H ASP 83 -3.434 -14.323 -31.709 625 HA ASP 83 HA ASP 83 -1.280 -14.336 -33.721 626 HB2 ASP 83 2HB ASP 83 -1.601 -12.110 -31.742 627 HB3 ASP 83 3HB ASP 83 -0.852 -12.085 -33.336 628 H ALA 84 H ALA 84 0.589 -15.182 -33.097 629 HA ALA 84 HA ALA 84 1.020 -16.367 -30.618 630 HB1 ALA 84 1HB ALA 84 2.371 -17.202 -32.289 631 HB2 ALA 84 2HB ALA 84 2.822 -15.599 -32.873 632 HB3 ALA 84 3HB ALA 84 3.508 -16.216 -31.370 633 H SER 85 H SER 85 1.608 -13.102 -31.687 634 HA SER 85 HA SER 85 3.412 -12.310 -29.672 635 HB2 SER 85 2HB SER 85 2.379 -11.115 -31.897 636 HB3 SER 85 3HB SER 85 1.525 -10.251 -30.619 637 HG SER 85 HG SER 85 4.174 -10.164 -31.337 638 H CYS 86 H CYS 86 -0.100 -12.444 -29.801 639 HA CYS 86 HA CYS 86 -0.558 -11.022 -27.386 640 HB2 CYS 86 2HB CYS 86 -2.298 -13.006 -28.865 641 HB3 CYS 86 3HB CYS 86 -2.840 -12.009 -27.520 642 HG CYS 86 HG CYS 86 -3.465 -11.227 -30.376 643 H ALA 87 H ALA 87 -0.432 -14.486 -28.165 644 HA ALA 87 HA ALA 87 -0.983 -15.435 -25.578 645 HB1 ALA 87 1HB ALA 87 0.722 -17.291 -26.835 646 HB2 ALA 87 2HB ALA 87 -1.039 -17.326 -26.735 647 HB3 ALA 87 3HB ALA 87 -0.249 -16.546 -28.106 648 H VAL 88 H VAL 88 2.039 -14.537 -27.159 649 HA VAL 88 HA VAL 88 3.755 -15.489 -25.105 650 HB VAL 88 HB VAL 88 4.216 -13.409 -27.245 651 HG11 VAL 88 1HG1 VAL 88 5.771 -12.936 -25.514 652 HG12 VAL 88 2HG1 VAL 88 6.123 -14.648 -25.272 653 HG13 VAL 88 3HG1 VAL 88 6.644 -13.840 -26.750 654 HG21 VAL 88 3HG2 VAL 88 5.673 -15.918 -27.414 655 HG22 VAL 88 1HG2 VAL 88 3.925 -16.145 -27.457 656 HG23 VAL 88 2HG2 VAL 88 4.705 -15.089 -28.633 657 H ALA 89 H ALA 89 2.397 -12.296 -25.849 658 HA ALA 89 HA ALA 89 3.694 -10.852 -23.832 659 HB1 ALA 89 1HB ALA 89 2.569 -9.716 -25.627 660 HB2 ALA 89 2HB ALA 89 1.013 -10.380 -25.126 661 HB3 ALA 89 3HB ALA 89 1.848 -9.218 -24.096 662 H ILE 90 H ILE 90 0.568 -12.533 -23.815 663 HA ILE 90 HA ILE 90 -0.148 -11.802 -21.179 664 HB ILE 90 HB ILE 90 -1.029 -14.195 -22.797 665 HG12 ILE 90 2HG1 ILE 90 -2.527 -11.617 -22.346 666 HG13 ILE 90 3HG1 ILE 90 -1.444 -11.843 -23.716 667 HG21 ILE 90 1HG2 ILE 90 -1.841 -13.133 -20.141 668 HG22 ILE 90 2HG2 ILE 90 -3.086 -13.807 -21.192 669 HG23 ILE 90 3HG2 ILE 90 -1.714 -14.800 -20.702 670 HD11 ILE 90 3HD1 ILE 90 -3.321 -12.508 -24.740 671 HD12 ILE 90 1HD1 ILE 90 -2.975 -14.044 -23.945 672 HD13 ILE 90 2HD1 ILE 90 -4.130 -12.920 -23.228 673 H GLU 91 H GLU 91 1.350 -14.744 -22.502 674 HA GLU 91 HA GLU 91 1.546 -16.187 -20.128 675 HB2 GLU 91 2HB GLU 91 2.038 -16.939 -22.534 676 HB3 GLU 91 3HB GLU 91 3.646 -16.275 -22.283 677 HG2 GLU 91 2HG GLU 91 4.283 -17.958 -20.935 678 HG3 GLU 91 3HG GLU 91 2.690 -18.114 -20.196 679 H GLU 92 H GLU 92 3.637 -13.693 -21.465 680 HA GLU 92 HA GLU 92 5.730 -14.027 -19.559 681 HB2 GLU 92 2HB GLU 92 6.260 -12.986 -21.648 682 HB3 GLU 92 3HB GLU 92 5.015 -11.765 -21.423 683 HG2 GLU 92 2HG GLU 92 6.248 -10.625 -19.813 684 HG3 GLU 92 3HG GLU 92 7.303 -12.004 -19.510 685 H ALA 93 H ALA 93 2.983 -11.803 -19.835 686 HA ALA 93 HA ALA 93 3.535 -10.188 -17.629 687 HB1 ALA 93 1HB ALA 93 1.533 -10.335 -19.507 688 HB2 ALA 93 2HB ALA 93 0.693 -10.702 -17.999 689 HB3 ALA 93 3HB ALA 93 1.604 -9.201 -18.158 690 H ILE 94 H ILE 94 1.738 -13.236 -17.833 691 HA ILE 94 HA ILE 94 1.056 -13.264 -15.054 692 HB ILE 94 HB ILE 94 0.305 -15.563 -15.446 693 HG12 ILE 94 2HG1 ILE 94 1.500 -15.166 -18.198 694 HG13 ILE 94 3HG1 ILE 94 2.053 -16.303 -16.974 695 HG21 ILE 94 1HG2 ILE 94 -0.785 -13.275 -16.456 696 HG22 ILE 94 2HG2 ILE 94 -0.745 -14.319 -17.876 697 HG23 ILE 94 3HG2 ILE 94 -1.583 -14.847 -16.417 698 HD11 ILE 94 3HD1 ILE 94 -0.537 -16.372 -18.496 699 HD12 ILE 94 1HD1 ILE 94 0.809 -17.507 -18.602 700 HD13 ILE 94 2HD1 ILE 94 -0.165 -17.427 -17.133 701 H GLN 95 H GLN 95 3.645 -14.597 -17.014 702 HA GLN 95 HA GLN 95 4.705 -16.360 -15.079 703 HB2 GLN 95 2HB GLN 95 5.611 -15.194 -17.643 704 HB3 GLN 95 3HB GLN 95 6.881 -15.735 -16.554 705 HG2 GLN 95 2HG GLN 95 5.412 -17.902 -16.423 706 HG3 GLN 95 3HG GLN 95 4.792 -17.311 -17.964 707 HE21 GLN 95 2HE2 GLN 95 7.556 -19.533 -18.786 708 HE22 GLN 95 1HE2 GLN 95 5.971 -19.639 -18.106 709 H LEU 96 H LEU 96 5.069 -12.935 -15.634 710 HA LEU 96 HA LEU 96 7.285 -12.698 -13.780 711 HB2 LEU 96 2HB LEU 96 5.684 -10.680 -15.334 712 HB3 LEU 96 3HB LEU 96 6.962 -10.235 -14.205 713 HG LEU 96 HG LEU 96 7.425 -12.002 -16.600 714 HD11 LEU 96 1HD1 LEU 96 8.546 -9.422 -16.948 715 HD12 LEU 96 2HD1 LEU 96 6.834 -9.227 -16.576 716 HD13 LEU 96 3HD1 LEU 96 7.331 -10.237 -17.933 717 HD21 LEU 96 3HD2 LEU 96 9.646 -11.882 -16.102 718 HD22 LEU 96 1HD2 LEU 96 8.983 -11.769 -14.471 719 HD23 LEU 96 2HD2 LEU 96 9.501 -10.310 -15.316 720 H TYR 97 H TYR 97 3.856 -11.818 -13.914 721 HA TYR 97 HA TYR 97 3.699 -10.478 -11.465 722 HB2 TYR 97 2HB TYR 97 1.889 -10.349 -13.062 723 HB3 TYR 97 3HB TYR 97 1.609 -12.083 -12.948 724 HD1 TYR 97 HD1 TYR 97 0.567 -13.041 -10.931 725 HD2 TYR 97 HD2 TYR 97 1.032 -8.839 -11.405 726 HE1 TYR 97 HE1 TYR 97 -1.063 -12.664 -9.129 727 HE2 TYR 97 HE2 TYR 97 -0.596 -8.450 -9.604 728 HH TYR 97 HH TYR 97 -2.686 -10.073 -8.632 729 H GLU 98 H GLU 98 3.299 -13.910 -12.246 730 HA GLU 98 HA GLU 98 2.704 -14.658 -9.543 731 HB2 GLU 98 2HB GLU 98 2.447 -15.867 -12.025 732 HB3 GLU 98 3HB GLU 98 3.715 -16.799 -11.243 733 HG2 GLU 98 2HG GLU 98 1.572 -16.347 -9.400 734 HG3 GLU 98 3HG GLU 98 0.944 -17.028 -10.900 735 H GLU 99 H GLU 99 5.561 -14.039 -11.312 736 HA GLU 99 HA GLU 99 7.275 -15.685 -9.664 737 HB2 GLU 99 2HB GLU 99 7.900 -15.372 -11.975 738 HB3 GLU 99 3HB GLU 99 7.879 -13.624 -11.788 739 HG2 GLU 99 2HG GLU 99 10.150 -14.518 -11.827 740 HG3 GLU 99 3HG GLU 99 9.779 -13.725 -10.297 741 H GLN 100 H GLN 100 6.167 -12.389 -9.772 742 HA GLN 100 HA GLN 100 8.076 -11.596 -7.700 743 HB2 GLN 100 2HB GLN 100 6.466 -10.173 -9.722 744 HB3 GLN 100 3HB GLN 100 6.606 -9.362 -8.168 745 HG2 GLN 100 2HG GLN 100 8.986 -10.373 -9.695 746 HG3 GLN 100 3HG GLN 100 8.318 -8.756 -9.916 747 HE21 GLN 100 2HE2 GLN 100 10.565 -7.702 -7.489 748 HE22 GLN 100 1HE2 GLN 100 10.063 -7.654 -9.142 749 H LEU 101 H LEU 101 4.686 -12.222 -8.228 750 HA LEU 101 HA LEU 101 3.517 -10.992 -6.052 751 HB2 LEU 101 2HB LEU 101 2.185 -12.080 -7.717 752 HB3 LEU 101 3HB LEU 101 2.896 -13.646 -7.333 753 HG LEU 101 HG LEU 101 1.815 -13.421 -5.050 754 HD11 LEU 101 1HD1 LEU 101 0.463 -11.710 -4.529 755 HD12 LEU 101 2HD1 LEU 101 -0.207 -11.608 -6.157 756 HD13 LEU 101 3HD1 LEU 101 1.346 -10.854 -5.794 757 HD21 LEU 101 3HD2 LEU 101 -0.559 -13.570 -6.534 758 HD22 LEU 101 1HD2 LEU 101 0.470 -14.903 -6.008 759 HD23 LEU 101 2HD2 LEU 101 0.717 -14.172 -7.594 760 H LYS 102 H LYS 102 5.017 -14.211 -6.188 761 HA LYS 102 HA LYS 102 4.527 -15.013 -3.574 762 HB2 LYS 102 2HB LYS 102 7.003 -15.612 -5.203 763 HB3 LYS 102 3HB LYS 102 6.396 -16.549 -3.844 764 HG2 LYS 102 2HG LYS 102 4.905 -16.144 -6.427 765 HG3 LYS 102 3HG LYS 102 5.906 -17.549 -6.055 766 HD2 LYS 102 2HD LYS 102 4.447 -18.309 -4.413 767 HD3 LYS 102 3HD LYS 102 3.700 -16.723 -4.205 768 HE2 LYS 102 2HE LYS 102 2.068 -17.420 -5.546 769 HE3 LYS 102 3HE LYS 102 3.234 -17.383 -6.867 770 HZ1 LYS 102 3HZ LYS 102 2.299 -19.678 -5.285 771 HZ2 LYS 102 1HZ LYS 102 3.834 -19.729 -5.994 772 HZ3 LYS 102 2HZ LYS 102 2.462 -19.529 -6.962 773 H ALA 103 H ALA 103 7.305 -13.214 -4.870 774 HA ALA 103 HA ALA 103 8.813 -13.004 -2.555 775 HB1 ALA 103 1HB ALA 103 9.125 -12.122 -5.072 776 HB2 ALA 103 2HB ALA 103 8.737 -10.602 -4.265 777 HB3 ALA 103 3HB ALA 103 10.108 -11.566 -3.717 778 H GLN 104 H GLN 104 6.050 -11.089 -3.612 779 HA GLN 104 HA GLN 104 6.213 -9.483 -1.165 780 HB2 GLN 104 2HB GLN 104 4.286 -9.077 -3.446 781 HB3 GLN 104 3HB GLN 104 4.755 -7.923 -2.205 782 HG2 GLN 104 2HG GLN 104 7.131 -8.638 -3.477 783 HG3 GLN 104 3HG GLN 104 5.945 -8.446 -4.768 784 HE21 GLN 104 2HE2 GLN 104 5.687 -4.986 -4.472 785 HE22 GLN 104 1HE2 GLN 104 5.042 -6.439 -5.149 786 H ALA 105 H ALA 105 5.250 -12.348 -1.476 787 HA ALA 105 HA ALA 105 2.610 -11.955 -0.223 788 HB1 ALA 105 1HB ALA 105 1.950 -14.147 -1.115 789 HB2 ALA 105 2HB ALA 105 2.343 -13.000 -2.397 790 HB3 ALA 105 3HB ALA 105 3.496 -14.260 -1.955 791 H GLY 106 H GLY 106 5.380 -12.156 0.913 792 HA2 GLY 106 2HA GLY 106 5.770 -12.914 3.157 793 HA3 GLY 106 3HA GLY 106 4.771 -14.319 2.814 794 H GLY 107 H GLY 107 6.154 -14.642 0.165 795 HA2 GLY 107 2HA GLY 107 8.441 -15.169 -0.498 796 HA3 GLY 107 3HA GLY 107 8.745 -15.645 1.166 797 H THR 108 H THR 108 6.521 -16.457 -1.499 798 HA THR 108 HA THR 108 5.855 -18.462 -2.352 799 HB THR 108 HB THR 108 7.938 -19.935 -0.784 800 HG1 THR 108 HG1 THR 108 8.377 -18.119 -2.924 801 HG21 THR 108 3HG2 THR 108 6.361 -21.087 -2.348 802 HG22 THR 108 1HG2 THR 108 8.063 -21.303 -2.750 803 HG23 THR 108 2HG2 THR 108 7.078 -20.163 -3.667 804 H ASN 109 H ASN 109 4.148 -17.800 -0.613 805 HA ASN 109 HA ASN 109 2.658 -18.415 0.997 806 HB2 ASN 109 2HB ASN 109 2.619 -20.356 -0.720 807 HB3 ASN 109 3HB ASN 109 3.486 -21.265 0.514 808 HD21 ASN 109 2HD2 ASN 109 -0.472 -20.484 0.872 809 HD22 ASN 109 1HD2 ASN 109 0.487 -19.781 -0.381 810 H GLU 110 H GLU 110 5.380 -17.877 1.859 811 HA GLU 110 HA GLU 110 6.656 -17.971 3.740 812 HB2 GLU 110 2HB GLU 110 4.290 -17.670 4.708 813 HB3 GLU 110 3HB GLU 110 4.372 -19.381 5.101 814 HG2 GLU 110 2HG GLU 110 6.761 -18.209 6.028 815 HG3 GLU 110 3HG GLU 110 5.436 -17.157 6.525 Start of MODEL 6 1 H1 MET 1 H MET 1 2.958 -1.200 0.612 2 HA MET 1 HA MET 1 3.438 -0.397 -1.727 3 HB2 MET 1 2HB MET 1 4.170 -3.190 -0.873 4 HB3 MET 1 3HB MET 1 4.764 -2.499 -2.378 5 HG2 MET 1 2HG MET 1 6.328 -1.334 -1.327 6 HG3 MET 1 3HG MET 1 5.170 -0.697 -0.161 7 HE1 MET 1 3HE MET 1 5.769 -1.825 2.830 8 HE2 MET 1 1HE MET 1 7.420 -1.444 2.342 9 HE3 MET 1 2HE MET 1 6.071 -0.517 1.686 10 H ILE 2 H ILE 2 1.022 -0.382 -2.387 11 HA ILE 2 HA ILE 2 0.702 -2.396 -4.504 12 HB ILE 2 HB ILE 2 -1.793 -2.256 -4.103 13 HG12 ILE 2 2HG1 ILE 2 -1.360 -1.611 -1.266 14 HG13 ILE 2 3HG1 ILE 2 -1.126 -0.252 -2.360 15 HG21 ILE 2 1HG2 ILE 2 -0.089 -4.072 -3.320 16 HG22 ILE 2 2HG2 ILE 2 -0.477 -3.461 -1.713 17 HG23 ILE 2 3HG2 ILE 2 -1.754 -4.111 -2.741 18 HD11 ILE 2 3HD1 ILE 2 -3.339 -0.407 -3.168 19 HD12 ILE 2 1HD1 ILE 2 -3.587 -1.971 -2.392 20 HD13 ILE 2 2HD1 ILE 2 -3.431 -0.513 -1.410 21 HA PRO 3 HA PRO 3 0.349 1.977 -6.088 22 HB2 PRO 3 2HB PRO 3 2.110 1.643 -8.127 23 HB3 PRO 3 3HB PRO 3 2.605 2.124 -6.500 24 HG2 PRO 3 2HG PRO 3 2.680 -0.581 -7.782 25 HG3 PRO 3 3HG PRO 3 3.901 0.212 -6.771 26 HD2 PRO 3 2HD PRO 3 2.207 -1.666 -5.805 27 HD3 PRO 3 3HD PRO 3 2.810 -0.323 -4.812 28 H SER 4 H SER 4 -0.910 2.603 -7.795 29 HA SER 4 HA SER 4 -2.476 2.406 -9.436 30 HB2 SER 4 2HB SER 4 -1.733 1.513 -11.450 31 HB3 SER 4 3HB SER 4 -0.210 1.790 -10.605 32 HG SER 4 HG SER 4 -0.062 -0.263 -11.309 33 H PHE 5 H PHE 5 -2.795 0.781 -7.057 34 HA PHE 5 HA PHE 5 -4.014 -0.962 -6.232 35 HB2 PHE 5 2HB PHE 5 -5.515 -0.240 -8.743 36 HB3 PHE 5 3HB PHE 5 -6.106 -1.464 -7.624 37 HD1 PHE 5 HD1 PHE 5 -4.764 2.018 -7.484 38 HD2 PHE 5 HD2 PHE 5 -7.657 -0.776 -6.090 39 HE1 PHE 5 HE1 PHE 5 -5.801 3.780 -6.115 40 HE2 PHE 5 HE2 PHE 5 -8.699 0.982 -4.720 41 HZ PHE 5 HZ PHE 5 -7.771 3.263 -4.731 42 H ALA 6 H ALA 6 -2.378 -2.543 -6.391 43 HA ALA 6 HA ALA 6 -1.554 -4.590 -6.949 44 HB1 ALA 6 1HB ALA 6 -4.330 -4.658 -7.760 45 HB2 ALA 6 2HB ALA 6 -3.328 -5.696 -8.775 46 HB3 ALA 6 3HB ALA 6 -3.338 -5.918 -7.025 47 HA PRO 7 HA PRO 7 0.158 -2.847 -10.855 48 HB2 PRO 7 2HB PRO 7 2.748 -3.219 -10.134 49 HB3 PRO 7 3HB PRO 7 1.818 -1.790 -9.669 50 HG2 PRO 7 2HG PRO 7 2.430 -4.251 -8.078 51 HG3 PRO 7 3HG PRO 7 2.465 -2.552 -7.570 52 HD2 PRO 7 2HD PRO 7 0.397 -4.203 -6.994 53 HD3 PRO 7 3HD PRO 7 0.181 -2.463 -7.274 54 H GLY 8 H GLY 8 0.364 -4.114 -12.589 55 HA2 GLY 8 2HA GLY 8 1.661 -5.875 -13.692 56 HA3 GLY 8 3HA GLY 8 1.500 -6.815 -12.216 57 H THR 9 H THR 9 -1.249 -5.033 -13.272 58 HA THR 9 HA THR 9 -2.614 -7.545 -13.879 59 HB THR 9 HB THR 9 -3.990 -4.881 -13.753 60 HG1 THR 9 HG1 THR 9 -3.372 -6.517 -11.501 61 HG21 THR 9 3HG2 THR 9 -5.266 -6.843 -14.480 62 HG22 THR 9 1HG2 THR 9 -5.849 -6.242 -12.929 63 HG23 THR 9 2HG2 THR 9 -4.831 -7.680 -12.990 64 H LEU 10 H LEU 10 -3.313 -8.091 -15.859 65 HA LEU 10 HA LEU 10 -2.656 -6.303 -18.071 66 HB2 LEU 10 2HB LEU 10 -1.990 -8.757 -17.966 67 HB3 LEU 10 3HB LEU 10 -3.687 -9.119 -18.270 68 HG LEU 10 HG LEU 10 -2.066 -7.413 -20.139 69 HD11 LEU 10 1HD1 LEU 10 -0.834 -9.429 -20.071 70 HD12 LEU 10 2HD1 LEU 10 -1.860 -9.526 -21.502 71 HD13 LEU 10 3HD1 LEU 10 -2.299 -10.410 -20.041 72 HD21 LEU 10 3HD2 LEU 10 -4.679 -8.880 -20.267 73 HD22 LEU 10 1HD2 LEU 10 -3.803 -8.427 -21.729 74 HD23 LEU 10 2HD2 LEU 10 -4.342 -7.181 -20.603 75 H VAL 11 H VAL 11 -4.164 -4.999 -18.849 76 HA VAL 11 HA VAL 11 -6.972 -5.900 -18.797 77 HB VAL 11 HB VAL 11 -7.564 -3.446 -18.748 78 HG11 VAL 11 1HG1 VAL 11 -7.817 -3.577 -16.515 79 HG12 VAL 11 2HG1 VAL 11 -7.174 -5.206 -16.731 80 HG13 VAL 11 3HG1 VAL 11 -6.106 -3.893 -16.234 81 HG21 VAL 11 3HG2 VAL 11 -4.635 -3.206 -18.069 82 HG22 VAL 11 1HG2 VAL 11 -5.472 -2.489 -19.447 83 HG23 VAL 11 2HG2 VAL 11 -5.828 -1.933 -17.812 84 H TRP 12 H TRP 12 -8.238 -4.242 -20.377 85 HA TRP 12 HA TRP 12 -6.807 -4.379 -22.950 86 HB2 TRP 12 2HB TRP 12 -9.625 -5.025 -22.196 87 HB3 TRP 12 3HB TRP 12 -9.310 -4.391 -23.809 88 HD1 TRP 12 HD1 TRP 12 -6.422 -6.424 -22.786 89 HE1 TRP 12 HE1 TRP 12 -6.534 -8.769 -23.842 90 HE3 TRP 12 HE3 TRP 12 -11.269 -6.352 -24.409 91 HZ2 TRP 12 HZ2 TRP 12 -8.427 -10.375 -25.186 92 HZ3 TRP 12 HZ3 TRP 12 -12.153 -8.332 -25.571 93 HH2 TRP 12 HH2 TRP 12 -10.759 -10.301 -25.952 94 H LEU 13 H LEU 13 -6.656 -2.575 -24.151 95 HA LEU 13 HA LEU 13 -8.105 -0.191 -23.202 96 HB2 LEU 13 2HB LEU 13 -5.440 -0.496 -23.199 97 HB3 LEU 13 3HB LEU 13 -5.658 0.131 -24.831 98 HG LEU 13 HG LEU 13 -7.113 1.750 -22.956 99 HD11 LEU 13 1HD1 LEU 13 -5.423 0.876 -21.363 100 HD12 LEU 13 2HD1 LEU 13 -5.313 2.616 -21.630 101 HD13 LEU 13 3HD1 LEU 13 -4.159 1.530 -22.405 102 HD21 LEU 13 3HD2 LEU 13 -4.656 2.687 -24.333 103 HD22 LEU 13 1HD2 LEU 13 -6.240 3.450 -24.193 104 HD23 LEU 13 2HD2 LEU 13 -5.997 2.125 -25.332 105 H LYS 14 H LYS 14 -9.689 0.355 -24.536 106 HA LYS 14 HA LYS 14 -9.373 -0.171 -27.412 107 HB2 LYS 14 2HB LYS 14 -11.350 -1.116 -26.038 108 HB3 LYS 14 3HB LYS 14 -11.970 0.530 -26.067 109 HG2 LYS 14 2HG LYS 14 -12.246 0.507 -28.391 110 HG3 LYS 14 3HG LYS 14 -11.216 -0.914 -28.585 111 HD2 LYS 14 2HD LYS 14 -12.857 -2.359 -27.756 112 HD3 LYS 14 3HD LYS 14 -13.765 -1.044 -27.007 113 HE2 LYS 14 2HE LYS 14 -14.605 -0.305 -29.067 114 HE3 LYS 14 3HE LYS 14 -13.399 -1.208 -29.982 115 HZ1 LYS 14 3HZ LYS 14 -14.743 -2.950 -30.060 116 HZ2 LYS 14 1HZ LYS 14 -15.961 -2.014 -29.353 117 HZ3 LYS 14 2HZ LYS 14 -14.949 -2.957 -28.381 118 H GLN 15 H GLN 15 -8.525 1.577 -28.368 119 HA GLN 15 HA GLN 15 -8.905 4.236 -27.455 120 HB2 GLN 15 2HB GLN 15 -7.463 2.892 -29.603 121 HB3 GLN 15 3HB GLN 15 -8.118 4.446 -30.103 122 HG2 GLN 15 2HG GLN 15 -7.031 5.447 -28.080 123 HG3 GLN 15 3HG GLN 15 -6.230 3.897 -27.831 124 HE21 GLN 15 2HE2 GLN 15 -4.781 6.558 -30.443 125 HE22 GLN 15 1HE2 GLN 15 -6.111 6.876 -29.388 126 H ASP 16 H ASP 16 -9.776 5.986 -28.906 127 HA ASP 16 HA ASP 16 -12.513 5.534 -29.400 128 HB2 ASP 16 2HB ASP 16 -10.726 7.767 -29.361 129 HB3 ASP 16 3HB ASP 16 -11.678 7.836 -30.842 130 H ARG 17 H ARG 17 -9.872 6.222 -31.699 131 HA ARG 17 HA ARG 17 -11.555 5.249 -33.881 132 HB2 ARG 17 2HB ARG 17 -9.291 7.093 -33.641 133 HB3 ARG 17 3HB ARG 17 -9.162 6.001 -35.013 134 HG2 ARG 17 2HG ARG 17 -11.592 6.726 -35.515 135 HG3 ARG 17 3HG ARG 17 -11.228 8.082 -34.446 136 HD2 ARG 17 2HD ARG 17 -9.146 7.564 -36.426 137 HD3 ARG 17 3HD ARG 17 -10.706 7.972 -37.140 138 HE ARG 17 HE ARG 17 -10.282 9.836 -35.161 139 HH11 ARG 17 1HH1 ARG 17 -8.646 8.814 -38.059 140 HH12 ARG 17 2HH1 ARG 17 -7.956 10.371 -38.375 141 HH21 ARG 17 2HH2 ARG 17 -8.373 12.121 -36.956 142 HH22 ARG 17 1HH2 ARG 17 -9.379 11.891 -35.566 143 H PHE 18 H PHE 18 -8.761 4.382 -32.010 144 HA PHE 18 HA PHE 18 -7.982 2.259 -33.830 145 HB2 PHE 18 2HB PHE 18 -6.760 3.678 -31.617 146 HB3 PHE 18 3HB PHE 18 -6.582 1.936 -31.430 147 HD1 PHE 18 HD1 PHE 18 -4.454 1.323 -32.032 148 HD2 PHE 18 HD2 PHE 18 -6.535 4.169 -34.417 149 HE1 PHE 18 HE1 PHE 18 -2.586 1.342 -33.633 150 HE2 PHE 18 HE2 PHE 18 -4.670 4.192 -36.022 151 HZ PHE 18 HZ PHE 18 -2.693 2.776 -35.632 152 HA PRO 19 HA PRO 19 -10.214 -1.024 -31.964 153 HB2 PRO 19 2HB PRO 19 -8.445 -3.075 -32.150 154 HB3 PRO 19 3HB PRO 19 -9.292 -2.407 -33.550 155 HG2 PRO 19 2HG PRO 19 -6.508 -1.871 -32.590 156 HG3 PRO 19 3HG PRO 19 -7.089 -2.137 -34.244 157 HD2 PRO 19 2HD PRO 19 -6.570 0.332 -33.261 158 HD3 PRO 19 3HD PRO 19 -7.843 0.030 -34.462 159 H TRP 20 H TRP 20 -9.517 -3.111 -30.454 160 HA TRP 20 HA TRP 20 -8.503 -1.851 -28.003 161 HB2 TRP 20 2HB TRP 20 -9.611 -3.881 -26.905 162 HB3 TRP 20 3HB TRP 20 -10.680 -2.680 -27.625 163 HD1 TRP 20 HD1 TRP 20 -12.000 -3.387 -29.853 164 HE1 TRP 20 HE1 TRP 20 -12.569 -5.694 -30.844 165 HE3 TRP 20 HE3 TRP 20 -8.723 -6.253 -27.172 166 HZ2 TRP 20 HZ2 TRP 20 -11.739 -8.373 -30.530 167 HZ3 TRP 20 HZ3 TRP 20 -8.674 -8.679 -27.577 168 HH2 TRP 20 HH2 TRP 20 -10.151 -9.716 -29.221 169 H TRP 21 H TRP 21 -6.535 -2.359 -27.329 170 HA TRP 21 HA TRP 21 -5.430 -4.989 -28.068 171 HB2 TRP 21 2HB TRP 21 -4.416 -2.358 -28.649 172 HB3 TRP 21 3HB TRP 21 -3.278 -3.221 -27.617 173 HD1 TRP 21 HD1 TRP 21 -1.587 -4.643 -28.896 174 HE1 TRP 21 HE1 TRP 21 -1.480 -5.749 -31.218 175 HE3 TRP 21 HE3 TRP 21 -6.270 -3.463 -30.575 176 HZ2 TRP 21 HZ2 TRP 21 -3.157 -6.077 -33.464 177 HZ3 TRP 21 HZ3 TRP 21 -6.940 -4.210 -32.822 178 HH2 TRP 21 HH2 TRP 21 -5.414 -5.489 -34.235 179 HA PRO 22 HA PRO 22 -4.712 -5.686 -23.790 180 HB2 PRO 22 2HB PRO 22 -2.548 -7.321 -23.915 181 HB3 PRO 22 3HB PRO 22 -4.174 -7.844 -24.368 182 HG2 PRO 22 2HG PRO 22 -1.916 -6.952 -26.118 183 HG3 PRO 22 3HG PRO 22 -3.035 -8.309 -26.340 184 HD2 PRO 22 2HD PRO 22 -3.328 -5.951 -27.639 185 HD3 PRO 22 3HD PRO 22 -4.711 -6.956 -27.160 186 H GLY 23 H GLY 23 -3.495 -4.946 -22.079 187 HA2 GLY 23 2HA GLY 23 -0.832 -3.883 -22.520 188 HA3 GLY 23 3HA GLY 23 -2.059 -2.678 -22.162 189 H PHE 24 H PHE 24 0.382 -3.917 -20.719 190 HA PHE 24 HA PHE 24 -0.826 -4.969 -18.307 191 HB2 PHE 24 2HB PHE 24 2.063 -4.201 -18.508 192 HB3 PHE 24 3HB PHE 24 1.324 -5.530 -17.621 193 HD1 PHE 24 HD1 PHE 24 -0.208 -6.969 -19.549 194 HD2 PHE 24 HD2 PHE 24 3.554 -5.039 -20.035 195 HE1 PHE 24 HE1 PHE 24 0.337 -8.503 -21.394 196 HE2 PHE 24 HE2 PHE 24 4.105 -6.569 -21.881 197 HZ PHE 24 HZ PHE 24 2.495 -8.303 -22.564 198 H VAL 25 H VAL 25 -1.351 -3.836 -16.552 199 HA VAL 25 HA VAL 25 -1.054 -0.974 -16.559 200 HB VAL 25 HB VAL 25 -2.199 -2.802 -14.442 201 HG11 VAL 25 1HG1 VAL 25 -3.313 -0.690 -13.662 202 HG12 VAL 25 2HG1 VAL 25 -1.570 -0.760 -13.397 203 HG13 VAL 25 3HG1 VAL 25 -2.223 0.195 -14.728 204 HG21 VAL 25 3HG2 VAL 25 -4.129 -2.819 -15.567 205 HG22 VAL 25 1HG2 VAL 25 -4.034 -1.092 -15.915 206 HG23 VAL 25 2HG2 VAL 25 -3.198 -2.248 -16.952 207 H MET 26 H MET 26 0.694 0.048 -15.863 208 HA MET 26 HA MET 26 2.109 -1.000 -13.515 209 HB2 MET 26 2HB MET 26 3.501 0.064 -15.977 210 HB3 MET 26 3HB MET 26 4.268 -0.565 -14.525 211 HG2 MET 26 2HG MET 26 2.658 -2.643 -15.306 212 HG3 MET 26 3HG MET 26 3.204 -1.967 -16.840 213 HE1 MET 26 3HE MET 26 5.192 -3.338 -17.914 214 HE2 MET 26 1HE MET 26 5.586 -1.659 -17.544 215 HE3 MET 26 2HE MET 26 6.755 -2.934 -17.202 216 H ASP 27 H ASP 27 2.897 0.530 -12.121 217 HA ASP 27 HA ASP 27 1.873 3.217 -12.479 218 HB2 ASP 27 2HB ASP 27 2.311 3.548 -10.179 219 HB3 ASP 27 3HB ASP 27 1.760 1.880 -10.306 220 HA PRO 28 HA PRO 28 5.627 5.011 -13.912 221 HB2 PRO 28 2HB PRO 28 5.203 7.577 -13.133 222 HB3 PRO 28 3HB PRO 28 4.356 6.834 -14.495 223 HG2 PRO 28 2HG PRO 28 3.421 7.248 -11.682 224 HG3 PRO 28 3HG PRO 28 2.540 7.495 -13.201 225 HD2 PRO 28 2HD PRO 28 2.209 5.288 -11.667 226 HD3 PRO 28 3HD PRO 28 2.065 5.252 -13.436 227 H ASP 29 H ASP 29 4.599 5.734 -10.596 228 HA ASP 29 HA ASP 29 7.032 5.000 -9.426 229 HB2 ASP 29 2HB ASP 29 7.414 7.357 -10.684 230 HB3 ASP 29 3HB ASP 29 6.837 7.941 -9.126 231 H GLU 30 H GLU 30 4.429 4.441 -8.844 232 HA GLU 30 HA GLU 30 2.996 4.267 -7.085 233 HB2 GLU 30 2HB GLU 30 4.954 5.880 -5.460 234 HB3 GLU 30 3HB GLU 30 3.790 4.694 -4.888 235 HG2 GLU 30 2HG GLU 30 5.162 3.047 -6.369 236 HG3 GLU 30 3HG GLU 30 6.419 4.275 -6.227 237 H VAL 31 H VAL 31 1.734 5.779 -8.471 238 HA VAL 31 HA VAL 31 1.555 8.505 -7.426 239 HB VAL 31 HB VAL 31 -0.047 8.857 -9.322 240 HG11 VAL 31 1HG1 VAL 31 1.797 8.535 -11.112 241 HG12 VAL 31 2HG1 VAL 31 2.093 9.634 -9.763 242 HG13 VAL 31 3HG1 VAL 31 2.792 8.015 -9.752 243 HG21 VAL 31 3HG2 VAL 31 -0.562 7.234 -10.853 244 HG22 VAL 31 1HG2 VAL 31 0.915 6.321 -10.546 245 HG23 VAL 31 2HG2 VAL 31 -0.423 6.248 -9.398 246 H ARG 32 H ARG 32 0.499 5.853 -6.216 247 HA ARG 32 HA ARG 32 -2.353 6.290 -6.123 248 HB2 ARG 32 2HB ARG 32 -1.730 4.020 -6.019 249 HB3 ARG 32 3HB ARG 32 -0.488 4.328 -4.813 250 HG2 ARG 32 2HG ARG 32 -2.210 4.805 -3.152 251 HG3 ARG 32 3HG ARG 32 -3.460 4.506 -4.362 252 HD2 ARG 32 2HD ARG 32 -1.837 2.255 -4.467 253 HD3 ARG 32 3HD ARG 32 -1.951 2.632 -2.749 254 HE ARG 32 HE ARG 32 -4.027 1.609 -4.428 255 HH11 ARG 32 1HH1 ARG 32 -3.372 3.544 -1.608 256 HH12 ARG 32 2HH1 ARG 32 -4.920 3.251 -0.887 257 HH21 ARG 32 2HH2 ARG 32 -6.453 1.927 -1.957 258 HH22 ARG 32 1HH2 ARG 32 -6.069 1.217 -3.489 259 H ASP 33 H ASP 33 0.422 6.780 -4.002 260 HA ASP 33 HA ASP 33 -1.336 8.075 -2.034 261 HB2 ASP 33 2HB ASP 33 0.952 6.361 -1.796 262 HB3 ASP 33 3HB ASP 33 1.311 7.911 -1.040 263 H ILE 34 H ILE 34 1.374 8.596 -4.174 264 HA ILE 34 HA ILE 34 1.550 11.394 -3.287 265 HB ILE 34 HB ILE 34 3.494 9.843 -5.000 266 HG12 ILE 34 2HG1 ILE 34 4.829 10.447 -2.710 267 HG13 ILE 34 3HG1 ILE 34 3.205 10.188 -2.081 268 HG21 ILE 34 1HG2 ILE 34 4.566 12.180 -3.732 269 HG22 ILE 34 2HG2 ILE 34 4.496 11.772 -5.445 270 HG23 ILE 34 3HG2 ILE 34 3.143 12.607 -4.682 271 HD11 ILE 34 3HD1 ILE 34 4.904 8.250 -3.624 272 HD12 ILE 34 1HD1 ILE 34 4.380 8.132 -1.944 273 HD13 ILE 34 2HD1 ILE 34 3.202 7.982 -3.249 274 H THR 35 H THR 35 0.272 12.690 -4.430 275 HA THR 35 HA THR 35 -0.088 12.168 -7.300 276 HB THR 35 HB THR 35 -1.792 14.272 -6.356 277 HG1 THR 35 HG1 THR 35 -2.929 13.131 -4.766 278 HG21 THR 35 3HG2 THR 35 -2.564 13.125 -8.202 279 HG22 THR 35 1HG2 THR 35 -3.515 12.376 -6.920 280 HG23 THR 35 2HG2 THR 35 -2.091 11.553 -7.557 281 H LEU 36 H LEU 36 1.474 13.209 -8.397 282 HA LEU 36 HA LEU 36 1.940 16.047 -7.756 283 HB2 LEU 36 2HB LEU 36 4.147 15.746 -8.858 284 HB3 LEU 36 3HB LEU 36 3.941 14.816 -7.375 285 HG LEU 36 HG LEU 36 3.198 13.022 -9.318 286 HD11 LEU 36 1HD1 LEU 36 5.157 13.120 -10.908 287 HD12 LEU 36 2HD1 LEU 36 5.394 14.784 -10.373 288 HD13 LEU 36 3HD1 LEU 36 3.889 14.319 -11.166 289 HD21 LEU 36 3HD2 LEU 36 4.782 12.921 -7.263 290 HD22 LEU 36 1HD2 LEU 36 6.048 13.247 -8.446 291 HD23 LEU 36 2HD2 LEU 36 5.037 11.812 -8.612 292 HA PRO 37 HA PRO 37 0.479 17.190 -11.736 293 HB2 PRO 37 2HB PRO 37 2.035 19.352 -12.259 294 HB3 PRO 37 3HB PRO 37 0.730 19.373 -11.066 295 HG2 PRO 37 2HG PRO 37 3.676 19.043 -10.646 296 HG3 PRO 37 3HG PRO 37 2.516 20.019 -9.725 297 HD2 PRO 37 2HD PRO 37 3.384 17.599 -8.874 298 HD3 PRO 37 3HD PRO 37 1.753 18.205 -8.524 299 H GLU 38 H GLU 38 0.830 16.421 -13.722 300 HA GLU 38 HA GLU 38 3.312 16.616 -15.081 301 HB2 GLU 38 2HB GLU 38 3.816 14.745 -13.504 302 HB3 GLU 38 3HB GLU 38 2.513 13.825 -14.243 303 HG2 GLU 38 2HG GLU 38 3.657 13.615 -16.272 304 HG3 GLU 38 3HG GLU 38 4.794 14.898 -15.862 305 H GLY 39 H GLY 39 0.712 14.169 -15.041 306 HA2 GLY 39 2HA GLY 39 -1.141 14.742 -16.709 307 HA3 GLY 39 3HA GLY 39 0.182 14.850 -17.861 308 H SER 40 H SER 40 1.188 12.506 -15.895 309 HA SER 40 HA SER 40 -0.358 10.366 -17.178 310 HB2 SER 40 2HB SER 40 2.092 9.245 -17.245 311 HB3 SER 40 3HB SER 40 1.416 10.152 -18.598 312 HG SER 40 HG SER 40 3.098 11.210 -16.569 313 H ASP 41 H ASP 41 -1.261 9.355 -15.507 314 HA ASP 41 HA ASP 41 0.334 8.917 -13.078 315 HB2 ASP 41 2HB ASP 41 -2.289 9.819 -13.420 316 HB3 ASP 41 3HB ASP 41 -2.457 8.158 -12.858 317 H VAL 42 H VAL 42 -1.377 7.313 -15.653 318 HA VAL 42 HA VAL 42 -0.627 4.707 -14.496 319 HB VAL 42 HB VAL 42 -2.859 5.293 -16.447 320 HG11 VAL 42 1HG1 VAL 42 -3.427 2.849 -15.683 321 HG12 VAL 42 2HG1 VAL 42 -2.273 3.138 -16.986 322 HG13 VAL 42 3HG1 VAL 42 -1.695 2.773 -15.360 323 HG21 VAL 42 3HG2 VAL 42 -2.844 4.725 -13.494 324 HG22 VAL 42 1HG2 VAL 42 -3.549 6.101 -14.342 325 HG23 VAL 42 2HG2 VAL 42 -4.278 4.503 -14.496 326 H TRP 43 H TRP 43 0.556 3.306 -15.699 327 HA TRP 43 HA TRP 43 1.355 4.214 -18.388 328 HB2 TRP 43 2HB TRP 43 3.022 4.010 -16.272 329 HB3 TRP 43 3HB TRP 43 3.150 2.375 -16.915 330 HD1 TRP 43 HD1 TRP 43 2.797 3.553 -20.037 331 HE1 TRP 43 HE1 TRP 43 4.917 4.524 -21.127 332 HE3 TRP 43 HE3 TRP 43 5.551 4.425 -15.820 333 HZ2 TRP 43 HZ2 TRP 43 7.425 5.526 -20.308 334 HZ3 TRP 43 HZ3 TRP 43 7.802 5.391 -16.060 335 HH2 TRP 43 HH2 TRP 43 8.718 5.929 -18.258 336 H VAL 44 H VAL 44 0.275 3.005 -19.814 337 HA VAL 44 HA VAL 44 -0.184 0.169 -19.261 338 HB VAL 44 HB VAL 44 -1.241 1.883 -21.514 339 HG11 VAL 44 1HG1 VAL 44 -2.837 -0.001 -21.821 340 HG12 VAL 44 2HG1 VAL 44 -1.163 -0.420 -22.190 341 HG13 VAL 44 3HG1 VAL 44 -1.888 -0.937 -20.667 342 HG21 VAL 44 3HG2 VAL 44 -2.014 1.700 -18.776 343 HG22 VAL 44 1HG2 VAL 44 -2.743 2.650 -20.071 344 HG23 VAL 44 2HG2 VAL 44 -3.288 0.999 -19.774 345 H CYS 45 H CYS 45 1.364 -1.179 -19.891 346 HA CYS 45 HA CYS 45 2.983 -0.525 -22.240 347 HB2 CYS 45 2HB CYS 45 4.236 -1.090 -20.240 348 HB3 CYS 45 3HB CYS 45 3.353 -2.603 -20.075 349 HG CYS 45 HG CYS 45 6.109 -2.825 -21.030 350 H CYS 46 H CYS 46 1.810 -1.111 -24.003 351 HA CYS 46 HA CYS 46 0.283 -3.523 -24.127 352 HB2 CYS 46 2HB CYS 46 1.176 -1.617 -26.299 353 HB3 CYS 46 3HB CYS 46 0.055 -2.950 -26.545 354 HG CYS 46 HG CYS 46 -0.836 -0.026 -26.046 355 H LEU 47 H LEU 47 0.678 -5.014 -26.112 356 HA LEU 47 HA LEU 47 3.120 -6.375 -25.656 357 HB2 LEU 47 2HB LEU 47 2.218 -8.043 -26.869 358 HB3 LEU 47 3HB LEU 47 0.739 -7.117 -26.625 359 HG LEU 47 HG LEU 47 2.477 -7.032 -29.091 360 HD11 LEU 47 1HD1 LEU 47 0.841 -8.332 -30.174 361 HD12 LEU 47 2HD1 LEU 47 -0.291 -8.172 -28.831 362 HD13 LEU 47 3HD1 LEU 47 1.163 -9.153 -28.646 363 HD21 LEU 47 3HD2 LEU 47 0.015 -5.991 -29.715 364 HD22 LEU 47 1HD2 LEU 47 1.479 -5.058 -29.403 365 HD23 LEU 47 2HD2 LEU 47 0.319 -5.338 -28.104 366 HA PRO 48 HA PRO 48 5.904 -4.615 -28.555 367 HB2 PRO 48 2HB PRO 48 7.220 -6.798 -29.490 368 HB3 PRO 48 3HB PRO 48 7.454 -6.161 -27.858 369 HG2 PRO 48 2HG PRO 48 5.767 -8.459 -28.771 370 HG3 PRO 48 3HG PRO 48 6.829 -8.344 -27.356 371 HD2 PRO 48 2HD PRO 48 4.142 -8.054 -27.188 372 HD3 PRO 48 3HD PRO 48 5.264 -7.189 -26.119 373 H ARG 49 H ARG 49 4.935 -3.723 -30.302 374 HA ARG 49 HA ARG 49 4.821 -5.262 -32.731 375 HB2 ARG 49 2HB ARG 49 2.494 -4.962 -33.218 376 HB3 ARG 49 3HB ARG 49 2.618 -5.728 -31.640 377 HG2 ARG 49 2HG ARG 49 1.063 -4.163 -31.141 378 HG3 ARG 49 3HG ARG 49 2.510 -3.200 -30.835 379 HD2 ARG 49 2HD ARG 49 1.617 -1.721 -32.254 380 HD3 ARG 49 3HD ARG 49 2.114 -2.841 -33.522 381 HE ARG 49 HE ARG 49 -0.478 -3.408 -32.408 382 HH11 ARG 49 1HH1 ARG 49 1.288 -1.604 -34.805 383 HH12 ARG 49 2HH1 ARG 49 -0.075 -1.417 -35.858 384 HH21 ARG 49 2HH2 ARG 49 -2.105 -2.307 -35.277 385 HH22 ARG 49 1HH2 ARG 49 -2.280 -3.169 -33.786 386 H ASP 50 H ASP 50 4.282 -2.251 -31.018 387 HA ASP 50 HA ASP 50 4.785 -0.770 -33.512 388 HB2 ASP 50 2HB ASP 50 2.878 -0.392 -31.406 389 HB3 ASP 50 3HB ASP 50 3.951 1.004 -31.465 390 H SER 51 H SER 51 6.593 -2.021 -31.301 391 HA SER 51 HA SER 51 8.691 -1.578 -30.527 392 HB2 SER 51 2HB SER 51 8.759 -0.238 -32.766 393 HB3 SER 51 3HB SER 51 8.618 1.177 -31.723 394 HG SER 51 HG SER 51 10.471 0.159 -30.555 395 H LEU 52 H LEU 52 7.131 -1.467 -28.576 396 HA LEU 52 HA LEU 52 6.750 -0.620 -26.500 397 HB2 LEU 52 2HB LEU 52 9.161 0.725 -27.416 398 HB3 LEU 52 3HB LEU 52 8.241 1.691 -26.264 399 HG LEU 52 HG LEU 52 8.326 -0.230 -24.681 400 HD11 LEU 52 1HD1 LEU 52 10.543 -1.435 -26.231 401 HD12 LEU 52 2HD1 LEU 52 8.899 -1.782 -26.764 402 HD13 LEU 52 3HD1 LEU 52 9.395 -2.182 -25.120 403 HD21 LEU 52 3HD2 LEU 52 10.685 0.090 -24.073 404 HD22 LEU 52 1HD2 LEU 52 9.890 1.613 -24.473 405 HD23 LEU 52 2HD2 LEU 52 10.975 0.853 -25.637 406 H THR 53 H THR 53 4.620 -0.096 -27.348 407 HA THR 53 HA THR 53 4.164 2.725 -27.967 408 HB THR 53 HB THR 53 1.795 1.014 -27.856 409 HG1 THR 53 HG1 THR 53 4.053 0.243 -29.346 410 HG21 THR 53 3HG2 THR 53 3.072 2.827 -29.895 411 HG22 THR 53 1HG2 THR 53 1.640 3.135 -28.913 412 HG23 THR 53 2HG2 THR 53 1.582 1.936 -30.205 413 H LEU 54 H LEU 54 4.941 2.049 -25.304 414 HA LEU 54 HA LEU 54 2.896 1.739 -23.469 415 HB2 LEU 54 2HB LEU 54 5.230 3.589 -23.061 416 HB3 LEU 54 3HB LEU 54 4.347 2.673 -21.842 417 HG LEU 54 HG LEU 54 5.469 0.841 -23.717 418 HD11 LEU 54 1HD1 LEU 54 7.173 2.252 -24.388 419 HD12 LEU 54 2HD1 LEU 54 7.900 1.406 -23.023 420 HD13 LEU 54 3HD1 LEU 54 7.279 3.043 -22.816 421 HD21 LEU 54 3HD2 LEU 54 4.852 0.527 -21.295 422 HD22 LEU 54 1HD2 LEU 54 6.334 1.391 -20.887 423 HD23 LEU 54 2HD2 LEU 54 6.417 -0.132 -21.773 424 H SER 55 H SER 55 1.171 2.908 -22.968 425 HA SER 55 HA SER 55 1.081 5.717 -23.832 426 HB2 SER 55 2HB SER 55 -0.820 3.543 -23.946 427 HB3 SER 55 3HB SER 55 -1.501 4.910 -23.064 428 HG SER 55 HG SER 55 -0.914 4.655 -25.730 429 H ALA 56 H ALA 56 1.086 7.276 -22.357 430 HA ALA 56 HA ALA 56 0.510 6.553 -19.558 431 HB1 ALA 56 1HB ALA 56 2.226 7.852 -18.827 432 HB2 ALA 56 2HB ALA 56 2.868 7.430 -20.415 433 HB3 ALA 56 3HB ALA 56 2.085 8.990 -20.167 434 H ALA 57 H ALA 57 -1.036 7.638 -18.487 435 HA ALA 57 HA ALA 57 -1.934 10.245 -19.357 436 HB1 ALA 57 1HB ALA 57 -4.183 8.352 -19.169 437 HB2 ALA 57 2HB ALA 57 -3.941 9.729 -20.244 438 HB3 ALA 57 3HB ALA 57 -3.158 8.188 -20.595 439 H ASN 58 H ASN 58 -2.923 11.391 -17.744 440 HA ASN 58 HA ASN 58 -3.242 9.992 -15.170 441 HB2 ASN 58 2HB ASN 58 -1.378 11.579 -15.138 442 HB3 ASN 58 3HB ASN 58 -2.449 12.869 -15.677 443 HD21 ASN 58 2HD2 ASN 58 -2.234 13.446 -12.145 444 HD22 ASN 58 1HD2 ASN 58 -1.332 13.670 -13.601 445 H SER 59 H SER 59 -5.364 9.628 -14.937 446 HA SER 59 HA SER 59 -7.613 9.966 -14.809 447 HB2 SER 59 2HB SER 59 -6.690 12.776 -14.159 448 HB3 SER 59 3HB SER 59 -8.322 12.163 -13.889 449 HG SER 59 HG SER 59 -6.031 10.920 -12.789 450 H GLU 60 H GLU 60 -6.372 10.251 -17.414 451 HA GLU 60 HA GLU 60 -8.267 12.126 -18.672 452 HB2 GLU 60 2HB GLU 60 -5.416 11.689 -19.083 453 HB3 GLU 60 3HB GLU 60 -6.331 11.558 -20.578 454 HG2 GLU 60 2HG GLU 60 -7.194 13.845 -19.068 455 HG3 GLU 60 3HG GLU 60 -5.450 13.885 -19.320 456 H ASP 61 H ASP 61 -6.987 8.899 -18.592 457 HA ASP 61 HA ASP 61 -8.372 8.071 -20.997 458 HB2 ASP 61 2HB ASP 61 -6.184 7.086 -20.376 459 HB3 ASP 61 3HB ASP 61 -6.923 6.401 -18.931 460 H GLU 62 H GLU 62 -10.522 7.943 -20.881 461 HA GLU 62 HA GLU 62 -11.690 6.277 -18.781 462 HB2 GLU 62 2HB GLU 62 -13.459 7.850 -18.309 463 HB3 GLU 62 3HB GLU 62 -11.910 8.640 -18.051 464 HG2 GLU 62 2HG GLU 62 -12.107 9.707 -20.255 465 HG3 GLU 62 3HG GLU 62 -13.686 8.951 -20.460 466 H GLY 63 H GLY 63 -11.183 6.529 -21.881 467 HA2 GLY 63 2HA GLY 63 -13.696 6.484 -23.145 468 HA3 GLY 63 3HA GLY 63 -12.220 5.779 -23.786 469 H GLN 64 H GLN 64 -11.981 3.609 -23.789 470 HA GLN 64 HA GLN 64 -14.014 2.023 -22.368 471 HB2 GLN 64 2HB GLN 64 -13.246 2.012 -25.228 472 HB3 GLN 64 3HB GLN 64 -13.482 0.436 -24.483 473 HG2 GLN 64 2HG GLN 64 -15.526 2.623 -24.288 474 HG3 GLN 64 3HG GLN 64 -15.480 1.485 -25.633 475 HE21 GLN 64 2HE2 GLN 64 -16.271 -1.329 -23.499 476 HE22 GLN 64 1HE2 GLN 64 -15.125 -0.881 -24.712 477 H ILE 65 H ILE 65 -13.190 0.568 -21.026 478 HA ILE 65 HA ILE 65 -10.602 -0.657 -21.634 479 HB ILE 65 HB ILE 65 -10.013 1.158 -20.157 480 HG12 ILE 65 2HG1 ILE 65 -9.984 -1.057 -18.192 481 HG13 ILE 65 3HG1 ILE 65 -9.313 -1.427 -19.777 482 HG21 ILE 65 1HG2 ILE 65 -11.456 1.940 -18.667 483 HG22 ILE 65 2HG2 ILE 65 -12.525 0.569 -18.957 484 HG23 ILE 65 3HG2 ILE 65 -11.270 0.463 -17.723 485 HD11 ILE 65 3HD1 ILE 65 -8.453 0.995 -18.243 486 HD12 ILE 65 1HD1 ILE 65 -7.727 -0.588 -17.968 487 HD13 ILE 65 2HD1 ILE 65 -7.626 0.165 -19.560 488 H ARG 66 H ARG 66 -10.360 -2.737 -20.893 489 HA ARG 66 HA ARG 66 -12.651 -3.885 -19.439 490 HB2 ARG 66 2HB ARG 66 -11.873 -4.457 -22.064 491 HB3 ARG 66 3HB ARG 66 -11.282 -5.812 -21.112 492 HG2 ARG 66 2HG ARG 66 -14.082 -4.885 -20.713 493 HG3 ARG 66 3HG ARG 66 -13.683 -5.838 -22.144 494 HD2 ARG 66 2HD ARG 66 -13.117 -7.704 -20.905 495 HD3 ARG 66 3HD ARG 66 -12.783 -6.763 -19.451 496 HE ARG 66 HE ARG 66 -15.513 -6.551 -20.090 497 HH11 ARG 66 1HH1 ARG 66 -13.196 -8.865 -18.909 498 HH12 ARG 66 2HH1 ARG 66 -14.365 -9.770 -18.006 499 HH21 ARG 66 2HH2 ARG 66 -16.563 -9.127 -18.004 500 HH22 ARG 66 1HH2 ARG 66 -17.061 -7.734 -18.904 501 H TYR 67 H TYR 67 -12.214 -5.516 -17.951 502 HA TYR 67 HA TYR 67 -9.463 -5.538 -16.978 503 HB2 TYR 67 2HB TYR 67 -11.931 -6.710 -15.684 504 HB3 TYR 67 3HB TYR 67 -10.367 -6.440 -14.924 505 HD1 TYR 67 HD1 TYR 67 -13.368 -4.775 -16.281 506 HD2 TYR 67 HD2 TYR 67 -9.766 -4.295 -14.069 507 HE1 TYR 67 HE1 TYR 67 -14.108 -2.539 -15.574 508 HE2 TYR 67 HE2 TYR 67 -10.496 -2.058 -13.355 509 HH TYR 67 HH TYR 67 -12.005 -0.422 -13.680 510 H PHE 68 H PHE 68 -8.158 -7.081 -17.684 511 HA PHE 68 HA PHE 68 -9.295 -9.700 -18.382 512 HB2 PHE 68 2HB PHE 68 -7.605 -8.057 -19.826 513 HB3 PHE 68 3HB PHE 68 -6.507 -9.248 -19.137 514 HD1 PHE 68 HD1 PHE 68 -6.004 -10.953 -20.571 515 HD2 PHE 68 HD2 PHE 68 -9.935 -9.320 -20.621 516 HE1 PHE 68 HE1 PHE 68 -6.645 -12.558 -22.323 517 HE2 PHE 68 HE2 PHE 68 -10.582 -10.923 -22.372 518 HZ PHE 68 HZ PHE 68 -8.937 -12.545 -23.225 519 H LEU 69 H LEU 69 -8.446 -11.588 -17.547 520 HA LEU 69 HA LEU 69 -6.107 -11.774 -15.996 521 HB2 LEU 69 2HB LEU 69 -8.441 -10.785 -14.627 522 HB3 LEU 69 3HB LEU 69 -7.934 -12.331 -13.950 523 HG LEU 69 HG LEU 69 -5.937 -10.133 -14.321 524 HD11 LEU 69 1HD1 LEU 69 -7.322 -8.848 -13.064 525 HD12 LEU 69 2HD1 LEU 69 -6.569 -9.772 -11.765 526 HD13 LEU 69 3HD1 LEU 69 -8.162 -10.233 -12.366 527 HD21 LEU 69 3HD2 LEU 69 -4.616 -11.397 -13.011 528 HD22 LEU 69 1HD2 LEU 69 -5.696 -12.702 -13.503 529 HD23 LEU 69 2HD2 LEU 69 -5.946 -11.885 -11.959 530 HA PRO 70 HA PRO 70 -8.671 -15.820 -15.432 531 HB2 PRO 70 2HB PRO 70 -11.255 -15.801 -16.264 532 HB3 PRO 70 3HB PRO 70 -10.770 -15.345 -14.627 533 HG2 PRO 70 2HG PRO 70 -11.415 -13.594 -16.967 534 HG3 PRO 70 3HG PRO 70 -11.892 -13.413 -15.269 535 HD2 PRO 70 2HD PRO 70 -9.854 -12.009 -16.368 536 HD3 PRO 70 3HD PRO 70 -9.860 -12.508 -14.664 537 H ASP 71 H ASP 71 -8.751 -13.810 -18.188 538 HA ASP 71 HA ASP 71 -8.681 -14.189 -20.436 539 HB2 ASP 71 2HB ASP 71 -7.538 -16.905 -19.880 540 HB3 ASP 71 3HB ASP 71 -7.086 -15.741 -21.122 541 H ARG 72 H ARG 72 -11.112 -14.970 -19.108 542 HA ARG 72 HA ARG 72 -12.016 -17.056 -20.979 543 HB2 ARG 72 2HB ARG 72 -12.476 -16.802 -18.040 544 HB3 ARG 72 3HB ARG 72 -13.768 -17.460 -19.035 545 HG2 ARG 72 2HG ARG 72 -12.314 -19.222 -19.823 546 HG3 ARG 72 3HG ARG 72 -10.956 -18.532 -18.932 547 HD2 ARG 72 2HD ARG 72 -11.544 -19.891 -17.263 548 HD3 ARG 72 3HD ARG 72 -12.906 -18.802 -17.006 549 HE ARG 72 HE ARG 72 -13.556 -20.705 -18.985 550 HH11 ARG 72 1HH1 ARG 72 -13.065 -20.409 -15.551 551 HH12 ARG 72 2HH1 ARG 72 -14.130 -21.717 -15.155 552 HH21 ARG 72 2HH2 ARG 72 -15.206 -22.866 -16.819 553 HH22 ARG 72 1HH2 ARG 72 -14.960 -22.429 -18.476 554 H ASP 73 H ASP 73 -12.061 -14.031 -20.931 555 HA ASP 73 HA ASP 73 -14.935 -13.510 -20.856 556 HB2 ASP 73 2HB ASP 73 -13.235 -11.934 -19.817 557 HB3 ASP 73 3HB ASP 73 -12.739 -11.528 -21.458 558 H GLU 74 H GLU 74 -13.890 -15.236 -22.901 559 HA GLU 74 HA GLU 74 -14.081 -15.610 -25.136 560 HB2 GLU 74 2HB GLU 74 -15.748 -13.089 -25.137 561 HB3 GLU 74 3HB GLU 74 -15.752 -14.347 -26.365 562 HG2 GLU 74 2HG GLU 74 -16.355 -15.816 -24.198 563 HG3 GLU 74 3HG GLU 74 -17.053 -14.268 -23.727 564 H GLY 75 H GLY 75 -11.756 -14.342 -24.359 565 HA2 GLY 75 2HA GLY 75 -11.190 -12.740 -26.761 566 HA3 GLY 75 3HA GLY 75 -10.701 -12.132 -25.186 567 H MET 76 H MET 76 -9.917 -14.642 -24.073 568 HA MET 76 HA MET 76 -7.244 -14.738 -24.723 569 HB2 MET 76 2HB MET 76 -8.324 -15.767 -22.711 570 HB3 MET 76 3HB MET 76 -8.866 -17.089 -23.737 571 HG2 MET 76 2HG MET 76 -6.327 -17.272 -24.328 572 HG3 MET 76 3HG MET 76 -6.123 -16.413 -22.803 573 HE1 MET 76 3HE MET 76 -6.208 -18.443 -20.223 574 HE2 MET 76 1HE MET 76 -5.018 -19.230 -21.260 575 HE3 MET 76 2HE MET 76 -5.222 -17.479 -21.323 576 H MET 77 H MET 77 -9.932 -16.340 -26.271 577 HA MET 77 HA MET 77 -8.518 -18.279 -27.727 578 HB2 MET 77 2HB MET 77 -10.482 -18.303 -29.225 579 HB3 MET 77 3HB MET 77 -10.935 -18.361 -27.527 580 HG2 MET 77 2HG MET 77 -11.355 -15.910 -27.625 581 HG3 MET 77 3HG MET 77 -11.069 -15.985 -29.363 582 HE1 MET 77 3HE MET 77 -14.335 -16.409 -30.734 583 HE2 MET 77 1HE MET 77 -12.657 -15.868 -30.801 584 HE3 MET 77 2HE MET 77 -13.047 -17.566 -31.073 585 H GLU 78 H GLU 78 -9.287 -14.905 -28.444 586 HA GLU 78 HA GLU 78 -7.929 -15.066 -31.013 587 HB2 GLU 78 2HB GLU 78 -9.514 -12.928 -29.614 588 HB3 GLU 78 3HB GLU 78 -8.542 -12.555 -31.030 589 HG2 GLU 78 2HG GLU 78 -9.822 -14.466 -32.165 590 HG3 GLU 78 3HG GLU 78 -10.949 -14.319 -30.818 591 H GLU 79 H GLU 79 -7.277 -14.162 -27.769 592 HA GLU 79 HA GLU 79 -4.881 -12.664 -28.559 593 HB2 GLU 79 2HB GLU 79 -6.075 -12.985 -25.801 594 HB3 GLU 79 3HB GLU 79 -4.779 -11.891 -26.263 595 HG2 GLU 79 2HG GLU 79 -7.693 -11.732 -26.925 596 HG3 GLU 79 3HG GLU 79 -6.670 -10.540 -26.126 597 H GLY 80 H GLY 80 -5.344 -15.675 -28.575 598 HA2 GLY 80 2HA GLY 80 -2.743 -16.356 -27.526 599 HA3 GLY 80 3HA GLY 80 -4.072 -17.089 -26.639 600 H LYS 81 H LYS 81 -5.806 -17.490 -28.866 601 HA LYS 81 HA LYS 81 -4.415 -19.753 -30.109 602 HB2 LYS 81 2HB LYS 81 -6.756 -19.769 -28.808 603 HB3 LYS 81 3HB LYS 81 -7.350 -19.392 -30.420 604 HG2 LYS 81 2HG LYS 81 -6.135 -21.402 -31.258 605 HG3 LYS 81 3HG LYS 81 -5.761 -21.806 -29.580 606 HD2 LYS 81 2HD LYS 81 -8.587 -21.323 -30.463 607 HD3 LYS 81 3HD LYS 81 -7.821 -22.898 -30.686 608 HE2 LYS 81 2HE LYS 81 -8.020 -23.407 -28.520 609 HE3 LYS 81 3HE LYS 81 -7.417 -21.830 -28.013 610 HZ1 LYS 81 3HZ LYS 81 -9.653 -20.929 -28.459 611 HZ2 LYS 81 1HZ LYS 81 -9.652 -22.106 -27.243 612 HZ3 LYS 81 2HZ LYS 81 -10.203 -22.494 -28.794 613 H LEU 82 H LEU 82 -4.392 -16.816 -30.926 614 HA LEU 82 HA LEU 82 -5.052 -17.297 -33.750 615 HB2 LEU 82 2HB LEU 82 -6.639 -15.748 -32.377 616 HB3 LEU 82 3HB LEU 82 -5.338 -14.573 -32.558 617 HG LEU 82 HG LEU 82 -6.761 -15.918 -34.853 618 HD11 LEU 82 1HD1 LEU 82 -7.770 -13.652 -35.174 619 HD12 LEU 82 2HD1 LEU 82 -7.169 -13.224 -33.573 620 HD13 LEU 82 3HD1 LEU 82 -8.347 -14.524 -33.753 621 HD21 LEU 82 3HD2 LEU 82 -5.635 -13.618 -35.783 622 HD22 LEU 82 1HD2 LEU 82 -4.924 -15.225 -35.934 623 HD23 LEU 82 2HD2 LEU 82 -4.429 -14.162 -34.617 624 H ASP 83 H ASP 83 -3.505 -14.775 -31.755 625 HA ASP 83 HA ASP 83 -1.243 -14.811 -33.640 626 HB2 ASP 83 2HB ASP 83 -1.730 -12.560 -31.722 627 HB3 ASP 83 3HB ASP 83 -0.922 -12.535 -33.287 628 H ALA 84 H ALA 84 0.649 -15.540 -32.937 629 HA ALA 84 HA ALA 84 1.040 -16.651 -30.410 630 HB1 ALA 84 1HB ALA 84 2.816 -15.950 -32.686 631 HB2 ALA 84 2HB ALA 84 3.563 -16.339 -31.136 632 HB3 ALA 84 3HB ALA 84 2.510 -17.512 -31.926 633 H SER 85 H SER 85 1.597 -13.406 -31.583 634 HA SER 85 HA SER 85 3.297 -12.484 -29.547 635 HB2 SER 85 2HB SER 85 2.039 -11.386 -31.805 636 HB3 SER 85 3HB SER 85 1.479 -10.419 -30.441 637 HG SER 85 HG SER 85 3.445 -9.676 -30.144 638 H CYS 86 H CYS 86 -0.230 -12.587 -29.787 639 HA CYS 86 HA CYS 86 -0.758 -11.184 -27.393 640 HB2 CYS 86 2HB CYS 86 -2.450 -13.227 -28.848 641 HB3 CYS 86 3HB CYS 86 -3.025 -12.161 -27.573 642 HG CYS 86 HG CYS 86 -1.618 -10.758 -30.321 643 H ALA 87 H ALA 87 -0.553 -14.655 -28.115 644 HA ALA 87 HA ALA 87 -1.179 -15.593 -25.548 645 HB1 ALA 87 1HB ALA 87 -1.176 -17.442 -26.784 646 HB2 ALA 87 2HB ALA 87 -0.157 -16.701 -28.018 647 HB3 ALA 87 3HB ALA 87 0.579 -17.459 -26.605 648 H VAL 88 H VAL 88 1.872 -14.569 -26.979 649 HA VAL 88 HA VAL 88 3.532 -15.461 -24.852 650 HB VAL 88 HB VAL 88 3.997 -13.347 -26.958 651 HG11 VAL 88 1HG1 VAL 88 5.665 -14.275 -24.691 652 HG12 VAL 88 2HG1 VAL 88 6.471 -14.020 -26.240 653 HG13 VAL 88 3HG1 VAL 88 5.591 -12.697 -25.473 654 HG21 VAL 88 3HG2 VAL 88 3.751 -15.991 -27.349 655 HG22 VAL 88 1HG2 VAL 88 4.831 -14.969 -28.297 656 HG23 VAL 88 2HG2 VAL 88 5.466 -15.910 -26.947 657 H ALA 89 H ALA 89 2.092 -12.315 -25.649 658 HA ALA 89 HA ALA 89 3.221 -10.840 -23.556 659 HB1 ALA 89 1HB ALA 89 2.043 -9.154 -24.419 660 HB2 ALA 89 2HB ALA 89 1.515 -10.304 -25.648 661 HB3 ALA 89 3HB ALA 89 0.514 -10.012 -24.226 662 H ILE 90 H ILE 90 0.166 -12.642 -23.714 663 HA ILE 90 HA ILE 90 -0.719 -11.959 -21.118 664 HB ILE 90 HB ILE 90 -1.411 -14.375 -22.793 665 HG12 ILE 90 2HG1 ILE 90 -2.981 -11.823 -22.411 666 HG13 ILE 90 3HG1 ILE 90 -1.889 -12.088 -23.766 667 HG21 ILE 90 1HG2 ILE 90 -3.573 -13.909 -21.223 668 HG22 ILE 90 2HG2 ILE 90 -2.316 -15.092 -20.867 669 HG23 ILE 90 3HG2 ILE 90 -2.257 -13.493 -20.126 670 HD11 ILE 90 3HD1 ILE 90 -3.794 -12.758 -24.759 671 HD12 ILE 90 1HD1 ILE 90 -3.388 -14.288 -23.981 672 HD13 ILE 90 2HD1 ILE 90 -4.563 -13.204 -23.236 673 H GLU 91 H GLU 91 0.969 -14.829 -22.370 674 HA GLU 91 HA GLU 91 1.099 -16.277 -19.994 675 HB2 GLU 91 2HB GLU 91 2.719 -16.219 -22.499 676 HB3 GLU 91 3HB GLU 91 3.344 -17.115 -21.122 677 HG2 GLU 91 2HG GLU 91 0.958 -18.175 -21.101 678 HG3 GLU 91 3HG GLU 91 0.925 -17.631 -22.778 679 H GLU 92 H GLU 92 3.149 -13.688 -21.205 680 HA GLU 92 HA GLU 92 5.151 -13.946 -19.193 681 HB2 GLU 92 2HB GLU 92 5.469 -12.832 -21.422 682 HB3 GLU 92 3HB GLU 92 4.492 -11.495 -20.831 683 HG2 GLU 92 2HG GLU 92 6.190 -10.614 -19.701 684 HG3 GLU 92 3HG GLU 92 6.658 -12.172 -19.022 685 H ALA 93 H ALA 93 2.333 -11.835 -19.603 686 HA ALA 93 HA ALA 93 2.698 -10.218 -17.360 687 HB1 ALA 93 1HB ALA 93 -0.097 -10.820 -17.853 688 HB2 ALA 93 2HB ALA 93 0.778 -9.298 -18.020 689 HB3 ALA 93 3HB ALA 93 0.785 -10.468 -19.339 690 H ILE 94 H ILE 94 1.049 -13.338 -17.678 691 HA ILE 94 HA ILE 94 0.221 -13.418 -14.939 692 HB ILE 94 HB ILE 94 -0.413 -15.741 -15.386 693 HG12 ILE 94 2HG1 ILE 94 0.907 -15.274 -18.068 694 HG13 ILE 94 3HG1 ILE 94 1.444 -16.395 -16.822 695 HG21 ILE 94 1HG2 ILE 94 -1.415 -14.590 -17.860 696 HG22 ILE 94 2HG2 ILE 94 -2.279 -15.051 -16.394 697 HG23 ILE 94 3HG2 ILE 94 -1.504 -13.470 -16.500 698 HD11 ILE 94 3HD1 ILE 94 0.362 -17.817 -18.233 699 HD12 ILE 94 1HD1 ILE 94 -0.958 -17.395 -17.142 700 HD13 ILE 94 2HD1 ILE 94 -0.830 -16.610 -18.717 701 H GLN 95 H GLN 95 2.964 -14.621 -16.768 702 HA GLN 95 HA GLN 95 3.993 -16.359 -14.794 703 HB2 GLN 95 2HB GLN 95 5.058 -15.062 -17.254 704 HB3 GLN 95 3HB GLN 95 6.218 -15.730 -16.113 705 HG2 GLN 95 2HG GLN 95 5.508 -17.893 -16.448 706 HG3 GLN 95 3HG GLN 95 3.917 -17.394 -17.020 707 HE21 GLN 95 2HE2 GLN 95 5.115 -18.268 -20.179 708 HE22 GLN 95 1HE2 GLN 95 4.096 -18.694 -18.850 709 H LEU 96 H LEU 96 4.240 -12.916 -15.299 710 HA LEU 96 HA LEU 96 6.338 -12.609 -13.321 711 HB2 LEU 96 2HB LEU 96 4.770 -10.672 -15.001 712 HB3 LEU 96 3HB LEU 96 5.890 -10.143 -13.747 713 HG LEU 96 HG LEU 96 6.719 -11.873 -16.069 714 HD11 LEU 96 1HD1 LEU 96 7.391 -9.970 -17.262 715 HD12 LEU 96 2HD1 LEU 96 7.142 -8.907 -15.878 716 HD13 LEU 96 3HD1 LEU 96 5.755 -9.606 -16.713 717 HD21 LEU 96 3HD2 LEU 96 8.499 -12.071 -14.715 718 HD22 LEU 96 1HD2 LEU 96 8.040 -10.677 -13.737 719 HD23 LEU 96 2HD2 LEU 96 8.880 -10.440 -15.270 720 H TYR 97 H TYR 97 2.891 -11.868 -13.649 721 HA TYR 97 HA TYR 97 2.537 -10.549 -11.209 722 HB2 TYR 97 2HB TYR 97 0.822 -10.495 -12.918 723 HB3 TYR 97 3HB TYR 97 0.600 -12.238 -12.803 724 HD1 TYR 97 HD1 TYR 97 0.637 -9.345 -10.424 725 HD2 TYR 97 HD2 TYR 97 -1.333 -12.880 -11.738 726 HE1 TYR 97 HE1 TYR 97 -1.101 -9.004 -8.717 727 HE2 TYR 97 HE2 TYR 97 -3.077 -12.549 -10.036 728 HH TYR 97 HH TYR 97 -2.780 -10.158 -7.543 729 H GLU 98 H GLU 98 2.336 -13.991 -12.022 730 HA GLU 98 HA GLU 98 1.612 -14.781 -9.364 731 HB2 GLU 98 2HB GLU 98 1.095 -16.041 -11.517 732 HB3 GLU 98 3HB GLU 98 2.775 -16.559 -11.502 733 HG2 GLU 98 2HG GLU 98 1.797 -18.331 -10.464 734 HG3 GLU 98 3HG GLU 98 2.185 -17.330 -9.066 735 H GLU 99 H GLU 99 4.539 -14.006 -10.939 736 HA GLU 99 HA GLU 99 6.221 -15.582 -9.189 737 HB2 GLU 99 2HB GLU 99 6.603 -13.882 -11.567 738 HB3 GLU 99 3HB GLU 99 7.921 -13.838 -10.405 739 HG2 GLU 99 2HG GLU 99 8.150 -16.249 -10.536 740 HG3 GLU 99 3HG GLU 99 6.787 -16.333 -11.650 741 H GLN 100 H GLN 100 4.968 -12.343 -9.372 742 HA GLN 100 HA GLN 100 6.709 -11.461 -7.191 743 HB2 GLN 100 2HB GLN 100 4.920 -10.031 -9.132 744 HB3 GLN 100 3HB GLN 100 5.451 -9.237 -7.656 745 HG2 GLN 100 2HG GLN 100 7.617 -10.497 -9.149 746 HG3 GLN 100 3HG GLN 100 6.780 -9.226 -10.040 747 HE21 GLN 100 2HE2 GLN 100 7.744 -6.639 -7.791 748 HE22 GLN 100 1HE2 GLN 100 6.435 -7.180 -8.780 749 H LEU 101 H LEU 101 3.393 -12.254 -7.918 750 HA LEU 101 HA LEU 101 2.043 -11.081 -5.812 751 HB2 LEU 101 2HB LEU 101 0.862 -12.211 -7.562 752 HB3 LEU 101 3HB LEU 101 1.610 -13.750 -7.138 753 HG LEU 101 HG LEU 101 0.383 -13.541 -4.910 754 HD11 LEU 101 1HD1 LEU 101 -0.304 -11.320 -4.806 755 HD12 LEU 101 2HD1 LEU 101 -1.779 -12.190 -5.226 756 HD13 LEU 101 3HD1 LEU 101 -0.884 -11.320 -6.472 757 HD21 LEU 101 3HD2 LEU 101 -1.350 -13.809 -7.359 758 HD22 LEU 101 1HD2 LEU 101 -1.574 -14.578 -5.787 759 HD23 LEU 101 2HD2 LEU 101 -0.221 -15.051 -6.815 760 H LYS 102 H LYS 102 3.692 -14.228 -5.877 761 HA LYS 102 HA LYS 102 3.093 -14.938 -3.213 762 HB2 LYS 102 2HB LYS 102 4.970 -16.558 -3.468 763 HB3 LYS 102 3HB LYS 102 3.792 -16.631 -4.772 764 HG2 LYS 102 2HG LYS 102 5.598 -16.605 -6.091 765 HG3 LYS 102 3HG LYS 102 5.572 -14.865 -5.793 766 HD2 LYS 102 2HD LYS 102 7.454 -14.935 -4.575 767 HD3 LYS 102 3HD LYS 102 6.946 -16.389 -3.712 768 HE2 LYS 102 2HE LYS 102 7.731 -16.668 -6.562 769 HE3 LYS 102 3HE LYS 102 9.010 -16.381 -5.383 770 HZ1 LYS 102 3HZ LYS 102 7.941 -18.796 -5.992 771 HZ2 LYS 102 1HZ LYS 102 7.138 -18.396 -4.557 772 HZ3 LYS 102 2HZ LYS 102 8.829 -18.443 -4.596 773 H ALA 103 H ALA 103 5.882 -13.309 -4.669 774 HA ALA 103 HA ALA 103 7.560 -13.167 -2.477 775 HB1 ALA 103 1HB ALA 103 8.752 -11.566 -3.626 776 HB2 ALA 103 2HB ALA 103 7.864 -12.350 -4.933 777 HB3 ALA 103 3HB ALA 103 7.304 -10.807 -4.288 778 H GLN 104 H GLN 104 4.830 -11.086 -3.323 779 HA GLN 104 HA GLN 104 5.212 -9.561 -0.853 780 HB2 GLN 104 2HB GLN 104 3.140 -9.042 -2.978 781 HB3 GLN 104 3HB GLN 104 3.742 -7.929 -1.756 782 HG2 GLN 104 2HG GLN 104 5.989 -8.703 -3.213 783 HG3 GLN 104 3HG GLN 104 4.720 -8.446 -4.409 784 HE21 GLN 104 2HE2 GLN 104 6.399 -5.344 -2.429 785 HE22 GLN 104 1HE2 GLN 104 6.784 -6.987 -2.062 786 H ALA 105 H ALA 105 4.124 -12.383 -1.141 787 HA ALA 105 HA ALA 105 1.602 -11.922 0.313 788 HB1 ALA 105 1HB ALA 105 0.784 -14.057 -0.572 789 HB2 ALA 105 2HB ALA 105 1.142 -12.907 -1.861 790 HB3 ALA 105 3HB ALA 105 2.263 -14.225 -1.519 791 H GLY 106 H GLY 106 4.440 -12.252 1.231 792 HA2 GLY 106 2HA GLY 106 5.308 -13.123 3.199 793 HA3 GLY 106 3HA GLY 106 3.859 -14.102 3.368 794 H GLY 107 H GLY 107 6.082 -14.002 0.616 795 HA2 GLY 107 2HA GLY 107 6.392 -16.898 0.843 796 HA3 GLY 107 3HA GLY 107 6.849 -15.908 -0.535 797 H THR 108 H THR 108 7.821 -14.777 2.555 798 HA THR 108 HA THR 108 9.838 -14.629 3.605 799 HB THR 108 HB THR 108 10.930 -16.946 2.054 800 HG1 THR 108 HG1 THR 108 9.507 -18.283 2.880 801 HG21 THR 108 3HG2 THR 108 12.457 -16.937 3.676 802 HG22 THR 108 1HG2 THR 108 11.205 -17.045 4.913 803 HG23 THR 108 2HG2 THR 108 11.717 -15.468 4.311 804 H ASN 109 H ASN 109 9.751 -12.758 1.911 805 HA ASN 109 HA ASN 109 10.839 -11.402 0.437 806 HB2 ASN 109 2HB ASN 109 13.187 -12.971 1.522 807 HB3 ASN 109 3HB ASN 109 13.337 -11.510 0.550 808 HD21 ASN 109 2HD2 ASN 109 13.015 -9.401 3.247 809 HD22 ASN 109 1HD2 ASN 109 13.515 -9.682 1.617 810 H GLU 110 H GLU 110 9.680 -13.677 -0.736 811 HA GLU 110 HA GLU 110 9.615 -14.781 -2.724 812 HB2 GLU 110 2HB GLU 110 10.542 -12.435 -3.420 813 HB3 GLU 110 3HB GLU 110 12.049 -13.308 -3.663 814 HG2 GLU 110 2HG GLU 110 10.535 -14.919 -5.063 815 HG3 GLU 110 3HG GLU 110 9.479 -13.510 -5.148 Start of MODEL 7 1 H1 MET 1 H MET 1 2.316 -0.056 0.646 2 HA MET 1 HA MET 1 3.770 0.774 -1.655 3 HB2 MET 1 2HB MET 1 4.553 -0.765 0.241 4 HB3 MET 1 3HB MET 1 3.673 -2.041 -0.590 5 HG2 MET 1 2HG MET 1 5.145 -2.122 -2.328 6 HG3 MET 1 3HG MET 1 5.615 -0.433 -2.152 7 HE1 MET 1 3HE MET 1 6.811 -3.847 0.594 8 HE2 MET 1 1HE MET 1 5.431 -3.744 -0.500 9 HE3 MET 1 2HE MET 1 7.020 -4.187 -1.124 10 H ILE 2 H ILE 2 1.047 0.790 -2.269 11 HA ILE 2 HA ILE 2 0.950 -1.287 -4.350 12 HB ILE 2 HB ILE 2 -1.569 -1.243 -4.086 13 HG12 ILE 2 2HG1 ILE 2 -1.179 -0.401 -1.259 14 HG13 ILE 2 3HG1 ILE 2 -1.203 0.868 -2.479 15 HG21 ILE 2 1HG2 ILE 2 0.016 -2.330 -1.763 16 HG22 ILE 2 2HG2 ILE 2 -1.561 -2.894 -2.314 17 HG23 ILE 2 3HG2 ILE 2 -0.141 -3.104 -3.339 18 HD11 ILE 2 3HD1 ILE 2 -3.368 -1.175 -2.459 19 HD12 ILE 2 1HD1 ILE 2 -3.394 0.137 -1.281 20 HD13 ILE 2 2HD1 ILE 2 -3.402 0.500 -3.008 21 HA PRO 3 HA PRO 3 0.513 2.989 -6.137 22 HB2 PRO 3 2HB PRO 3 2.333 2.609 -8.115 23 HB3 PRO 3 3HB PRO 3 2.774 3.169 -6.497 24 HG2 PRO 3 2HG PRO 3 2.941 0.415 -7.659 25 HG3 PRO 3 3HG PRO 3 4.119 1.278 -6.653 26 HD2 PRO 3 2HD PRO 3 2.440 -0.595 -5.650 27 HD3 PRO 3 3HD PRO 3 2.988 0.802 -4.701 28 H SER 4 H SER 4 -0.714 3.514 -7.901 29 HA SER 4 HA SER 4 -2.231 3.212 -9.572 30 HB2 SER 4 2HB SER 4 -0.192 2.846 -10.891 31 HB3 SER 4 3HB SER 4 -0.221 1.133 -10.473 32 HG SER 4 HG SER 4 -1.179 1.812 -12.570 33 H PHE 5 H PHE 5 -2.579 1.684 -7.133 34 HA PHE 5 HA PHE 5 -3.784 -0.047 -6.264 35 HB2 PHE 5 2HB PHE 5 -5.234 1.038 -8.535 36 HB3 PHE 5 3HB PHE 5 -5.644 -0.651 -8.253 37 HD1 PHE 5 HD1 PHE 5 -7.718 -0.693 -7.253 38 HD2 PHE 5 HD2 PHE 5 -4.810 2.095 -5.880 39 HE1 PHE 5 HE1 PHE 5 -9.228 -0.021 -5.430 40 HE2 PHE 5 HE2 PHE 5 -6.314 2.771 -4.054 41 HZ PHE 5 HZ PHE 5 -8.526 1.712 -3.827 42 H ALA 6 H ALA 6 -2.114 -1.598 -6.307 43 HA ALA 6 HA ALA 6 -1.228 -3.647 -6.754 44 HB1 ALA 6 1HB ALA 6 -2.980 -5.017 -6.811 45 HB2 ALA 6 2HB ALA 6 -3.980 -3.816 -7.628 46 HB3 ALA 6 3HB ALA 6 -2.930 -4.876 -8.568 47 HA PRO 7 HA PRO 7 0.543 -2.042 -10.692 48 HB2 PRO 7 2HB PRO 7 3.122 -2.325 -9.893 49 HB3 PRO 7 3HB PRO 7 2.151 -0.897 -9.516 50 HG2 PRO 7 2HG PRO 7 2.774 -3.271 -7.802 51 HG3 PRO 7 3HG PRO 7 2.761 -1.551 -7.369 52 HD2 PRO 7 2HD PRO 7 0.714 -3.220 -6.770 53 HD3 PRO 7 3HD PRO 7 0.469 -1.500 -7.132 54 H GLY 8 H GLY 8 0.638 -3.450 -12.321 55 HA2 GLY 8 2HA GLY 8 2.012 -5.205 -13.364 56 HA3 GLY 8 3HA GLY 8 1.934 -6.061 -11.831 57 H THR 9 H THR 9 -0.928 -4.472 -12.872 58 HA THR 9 HA THR 9 -2.194 -7.069 -13.296 59 HB THR 9 HB THR 9 -3.693 -4.471 -13.313 60 HG1 THR 9 HG1 THR 9 -3.858 -4.996 -10.918 61 HG21 THR 9 3HG2 THR 9 -5.436 -5.867 -12.282 62 HG22 THR 9 1HG2 THR 9 -4.347 -7.252 -12.328 63 HG23 THR 9 2HG2 THR 9 -4.908 -6.521 -13.832 64 H LEU 10 H LEU 10 -2.932 -7.768 -15.214 65 HA LEU 10 HA LEU 10 -2.409 -6.105 -17.555 66 HB2 LEU 10 2HB LEU 10 -1.674 -8.555 -17.261 67 HB3 LEU 10 3HB LEU 10 -3.357 -8.949 -17.607 68 HG LEU 10 HG LEU 10 -1.625 -7.351 -19.482 69 HD11 LEU 10 1HD1 LEU 10 -0.726 -9.655 -19.007 70 HD12 LEU 10 2HD1 LEU 10 -1.135 -9.325 -20.690 71 HD13 LEU 10 3HD1 LEU 10 -2.221 -10.291 -19.692 72 HD21 LEU 10 3HD2 LEU 10 -3.475 -8.582 -20.991 73 HD22 LEU 10 1HD2 LEU 10 -3.701 -6.980 -20.289 74 HD23 LEU 10 2HD2 LEU 10 -4.385 -8.396 -19.491 75 H VAL 11 H VAL 11 -3.966 -5.078 -18.615 76 HA VAL 11 HA VAL 11 -6.731 -6.058 -18.381 77 HB VAL 11 HB VAL 11 -7.499 -3.677 -18.364 78 HG11 VAL 11 1HG1 VAL 11 -6.170 -3.511 -15.893 79 HG12 VAL 11 2HG1 VAL 11 -7.786 -4.144 -16.212 80 HG13 VAL 11 3HG1 VAL 11 -6.394 -5.228 -16.225 81 HG21 VAL 11 3HG2 VAL 11 -4.551 -3.204 -18.041 82 HG22 VAL 11 1HG2 VAL 11 -5.672 -2.454 -19.177 83 HG23 VAL 11 2HG2 VAL 11 -5.747 -2.045 -17.463 84 H TRP 12 H TRP 12 -8.100 -4.525 -20.002 85 HA TRP 12 HA TRP 12 -6.671 -4.641 -22.578 86 HB2 TRP 12 2HB TRP 12 -9.373 -5.566 -21.765 87 HB3 TRP 12 3HB TRP 12 -9.238 -4.825 -23.357 88 HD1 TRP 12 HD1 TRP 12 -6.364 -6.018 -24.137 89 HE1 TRP 12 HE1 TRP 12 -6.172 -8.517 -24.722 90 HE3 TRP 12 HE3 TRP 12 -10.606 -7.717 -21.843 91 HZ2 TRP 12 HZ2 TRP 12 -7.627 -10.894 -24.271 92 HZ3 TRP 12 HZ3 TRP 12 -11.133 -10.117 -21.967 93 HH2 TRP 12 HH2 TRP 12 -9.674 -11.671 -23.157 94 H LEU 13 H LEU 13 -6.661 -2.866 -23.830 95 HA LEU 13 HA LEU 13 -8.282 -0.572 -22.940 96 HB2 LEU 13 2HB LEU 13 -5.586 -0.699 -22.991 97 HB3 LEU 13 3HB LEU 13 -5.904 -0.076 -24.609 98 HG LEU 13 HG LEU 13 -7.442 1.445 -22.767 99 HD11 LEU 13 1HD1 LEU 13 -4.629 0.887 -21.911 100 HD12 LEU 13 2HD1 LEU 13 -6.097 0.971 -20.937 101 HD13 LEU 13 3HD1 LEU 13 -5.383 2.448 -21.583 102 HD21 LEU 13 3HD2 LEU 13 -6.677 2.247 -24.912 103 HD22 LEU 13 1HD2 LEU 13 -4.995 2.077 -24.412 104 HD23 LEU 13 2HD2 LEU 13 -6.029 3.276 -23.634 105 H LYS 14 H LYS 14 -9.884 -0.110 -24.280 106 HA LYS 14 HA LYS 14 -9.588 -0.762 -27.132 107 HB2 LYS 14 2HB LYS 14 -11.519 -1.689 -25.672 108 HB3 LYS 14 3HB LYS 14 -12.190 -0.068 -25.797 109 HG2 LYS 14 2HG LYS 14 -11.366 -1.323 -28.333 110 HG3 LYS 14 3HG LYS 14 -12.749 -2.052 -27.513 111 HD2 LYS 14 2HD LYS 14 -12.977 0.812 -27.481 112 HD3 LYS 14 3HD LYS 14 -12.725 0.243 -29.133 113 HE2 LYS 14 2HE LYS 14 -14.543 -1.553 -28.288 114 HE3 LYS 14 3HE LYS 14 -15.008 -0.165 -27.304 115 HZ1 LYS 14 3HZ LYS 14 -14.724 0.979 -29.692 116 HZ2 LYS 14 1HZ LYS 14 -16.191 0.359 -29.123 117 HZ3 LYS 14 2HZ LYS 14 -15.232 -0.563 -30.168 118 H GLN 15 H GLN 15 -9.210 0.862 -28.476 119 HA GLN 15 HA GLN 15 -9.372 3.587 -27.629 120 HB2 GLN 15 2HB GLN 15 -8.154 2.126 -29.761 121 HB3 GLN 15 3HB GLN 15 -9.093 3.443 -30.453 122 HG2 GLN 15 2HG GLN 15 -7.870 4.818 -28.550 123 HG3 GLN 15 3HG GLN 15 -6.686 3.524 -28.729 124 HE21 GLN 15 2HE2 GLN 15 -5.235 5.527 -31.178 125 HE22 GLN 15 1HE2 GLN 15 -5.123 4.858 -29.589 126 H ASP 16 H ASP 16 -10.338 5.134 -29.489 127 HA ASP 16 HA ASP 16 -13.137 4.942 -29.227 128 HB2 ASP 16 2HB ASP 16 -11.369 6.670 -30.955 129 HB3 ASP 16 3HB ASP 16 -13.125 6.817 -30.958 130 H ARG 17 H ARG 17 -11.133 4.710 -32.172 131 HA ARG 17 HA ARG 17 -13.307 3.165 -33.417 132 HB2 ARG 17 2HB ARG 17 -11.107 4.829 -34.647 133 HB3 ARG 17 3HB ARG 17 -12.177 3.790 -35.578 134 HG2 ARG 17 2HG ARG 17 -13.554 5.660 -33.794 135 HG3 ARG 17 3HG ARG 17 -12.611 6.419 -35.077 136 HD2 ARG 17 2HD ARG 17 -14.234 4.127 -35.929 137 HD3 ARG 17 3HD ARG 17 -15.160 5.511 -35.350 138 HE ARG 17 HE ARG 17 -13.123 6.248 -37.219 139 HH11 ARG 17 1HH1 ARG 17 -16.361 5.007 -36.907 140 HH12 ARG 17 2HH1 ARG 17 -16.867 5.570 -38.466 141 HH21 ARG 17 2HH2 ARG 17 -15.396 6.700 -39.811 142 HH22 ARG 17 1HH2 ARG 17 -13.777 6.995 -39.273 143 H PHE 18 H PHE 18 -10.033 3.071 -32.365 144 HA PHE 18 HA PHE 18 -9.256 0.811 -33.961 145 HB2 PHE 18 2HB PHE 18 -7.990 2.620 -32.074 146 HB3 PHE 18 3HB PHE 18 -7.518 0.949 -31.784 147 HD1 PHE 18 HD1 PHE 18 -5.371 0.716 -32.593 148 HD2 PHE 18 HD2 PHE 18 -8.273 2.743 -34.957 149 HE1 PHE 18 HE1 PHE 18 -3.761 0.849 -34.449 150 HE2 PHE 18 HE2 PHE 18 -6.668 2.878 -36.817 151 HZ PHE 18 HZ PHE 18 -4.409 1.930 -36.565 152 HA PRO 19 HA PRO 19 -10.712 -2.504 -31.484 153 HB2 PRO 19 2HB PRO 19 -8.692 -4.303 -31.718 154 HB3 PRO 19 3HB PRO 19 -9.801 -3.926 -33.042 155 HG2 PRO 19 2HG PRO 19 -7.030 -2.908 -32.544 156 HG3 PRO 19 3HG PRO 19 -7.770 -3.442 -34.065 157 HD2 PRO 19 2HD PRO 19 -7.508 -0.827 -33.413 158 HD3 PRO 19 3HD PRO 19 -8.862 -1.438 -34.384 159 H TRP 20 H TRP 20 -10.066 -4.005 -29.660 160 HA TRP 20 HA TRP 20 -8.660 -2.438 -27.646 161 HB2 TRP 20 2HB TRP 20 -9.614 -4.048 -26.041 162 HB3 TRP 20 3HB TRP 20 -10.857 -3.329 -27.062 163 HD1 TRP 20 HD1 TRP 20 -9.147 -6.652 -26.314 164 HE1 TRP 20 HE1 TRP 20 -10.481 -8.545 -27.437 165 HE3 TRP 20 HE3 TRP 20 -12.396 -3.829 -29.072 166 HZ2 TRP 20 HZ2 TRP 20 -12.626 -8.807 -29.252 167 HZ3 TRP 20 HZ3 TRP 20 -14.058 -4.979 -30.476 168 HH2 TRP 20 HH2 TRP 20 -14.169 -7.416 -30.564 169 H TRP 21 H TRP 21 -6.678 -2.887 -26.933 170 HA TRP 21 HA TRP 21 -5.526 -5.519 -27.593 171 HB2 TRP 21 2HB TRP 21 -4.347 -2.769 -27.839 172 HB3 TRP 21 3HB TRP 21 -3.300 -4.165 -27.596 173 HD1 TRP 21 HD1 TRP 21 -4.738 -6.248 -29.490 174 HE1 TRP 21 HE1 TRP 21 -4.649 -5.931 -32.043 175 HE3 TRP 21 HE3 TRP 21 -3.712 -1.242 -29.651 176 HZ2 TRP 21 HZ2 TRP 21 -4.203 -3.836 -33.881 177 HZ3 TRP 21 HZ3 TRP 21 -3.469 -0.158 -31.847 178 HH2 TRP 21 HH2 TRP 21 -3.709 -1.430 -33.917 179 HA PRO 22 HA PRO 22 -4.531 -6.015 -23.346 180 HB2 PRO 22 2HB PRO 22 -2.231 -7.448 -23.509 181 HB3 PRO 22 3HB PRO 22 -3.818 -8.131 -23.884 182 HG2 PRO 22 2HG PRO 22 -1.716 -7.092 -25.744 183 HG3 PRO 22 3HG PRO 22 -2.712 -8.552 -25.886 184 HD2 PRO 22 2HD PRO 22 -3.269 -6.272 -27.237 185 HD3 PRO 22 3HD PRO 22 -4.535 -7.384 -26.677 186 H GLY 23 H GLY 23 -3.292 -5.153 -21.696 187 HA2 GLY 23 2HA GLY 23 -0.760 -3.873 -22.253 188 HA3 GLY 23 3HA GLY 23 -2.073 -2.752 -21.925 189 H PHE 24 H PHE 24 0.493 -3.862 -20.498 190 HA PHE 24 HA PHE 24 -0.628 -4.789 -17.995 191 HB2 PHE 24 2HB PHE 24 2.243 -3.998 -18.315 192 HB3 PHE 24 3HB PHE 24 1.545 -5.294 -17.350 193 HD1 PHE 24 HD1 PHE 24 3.442 -4.617 -20.159 194 HD2 PHE 24 HD2 PHE 24 0.250 -7.110 -18.850 195 HE1 PHE 24 HE1 PHE 24 3.967 -6.223 -21.948 196 HE2 PHE 24 HE2 PHE 24 0.771 -8.721 -20.635 197 HZ PHE 24 HZ PHE 24 2.632 -8.279 -22.187 198 H VAL 25 H VAL 25 -1.359 -3.467 -16.480 199 HA VAL 25 HA VAL 25 -0.978 -0.643 -16.601 200 HB VAL 25 HB VAL 25 -2.169 -2.350 -14.411 201 HG11 VAL 25 1HG1 VAL 25 -1.877 0.601 -14.737 202 HG12 VAL 25 2HG1 VAL 25 -3.308 -0.046 -13.932 203 HG13 VAL 25 3HG1 VAL 25 -1.701 -0.394 -13.292 204 HG21 VAL 25 3HG2 VAL 25 -3.466 -0.767 -16.629 205 HG22 VAL 25 1HG2 VAL 25 -3.382 -2.525 -16.511 206 HG23 VAL 25 2HG2 VAL 25 -4.321 -1.606 -15.335 207 H MET 26 H MET 26 0.769 0.412 -15.954 208 HA MET 26 HA MET 26 2.146 -0.483 -13.521 209 HB2 MET 26 2HB MET 26 3.533 0.340 -16.079 210 HB3 MET 26 3HB MET 26 4.328 -0.050 -14.559 211 HG2 MET 26 2HG MET 26 2.890 -2.295 -14.938 212 HG3 MET 26 3HG MET 26 3.184 -1.817 -16.609 213 HE1 MET 26 3HE MET 26 6.110 -2.427 -13.291 214 HE2 MET 26 1HE MET 26 4.354 -2.592 -13.275 215 HE3 MET 26 2HE MET 26 5.365 -3.972 -13.706 216 H ASP 27 H ASP 27 2.935 1.134 -12.228 217 HA ASP 27 HA ASP 27 1.932 3.797 -12.780 218 HB2 ASP 27 2HB ASP 27 2.394 4.291 -10.500 219 HB3 ASP 27 3HB ASP 27 1.760 2.648 -10.525 220 HA PRO 28 HA PRO 28 5.695 5.534 -14.240 221 HB2 PRO 28 2HB PRO 28 5.356 8.112 -13.458 222 HB3 PRO 28 3HB PRO 28 4.459 7.389 -14.798 223 HG2 PRO 28 2HG PRO 28 3.601 7.832 -11.964 224 HG3 PRO 28 3HG PRO 28 2.692 8.099 -13.462 225 HD2 PRO 28 2HD PRO 28 2.339 5.904 -11.916 226 HD3 PRO 28 3HD PRO 28 2.153 5.869 -13.681 227 H ASP 29 H ASP 29 4.768 6.384 -10.916 228 HA ASP 29 HA ASP 29 7.188 5.546 -9.777 229 HB2 ASP 29 2HB ASP 29 7.699 7.817 -11.099 230 HB3 ASP 29 3HB ASP 29 7.111 8.513 -9.592 231 H GLU 30 H GLU 30 4.672 5.028 -9.053 232 HA GLU 30 HA GLU 30 3.290 4.950 -7.247 233 HB2 GLU 30 2HB GLU 30 5.274 6.690 -5.792 234 HB3 GLU 30 3HB GLU 30 4.137 5.540 -5.104 235 HG2 GLU 30 2HG GLU 30 5.804 4.085 -5.057 236 HG3 GLU 30 3HG GLU 30 5.677 4.009 -6.814 237 H VAL 31 H VAL 31 1.834 6.264 -8.528 238 HA VAL 31 HA VAL 31 1.724 9.103 -7.850 239 HB VAL 31 HB VAL 31 -0.144 9.171 -9.516 240 HG11 VAL 31 1HG1 VAL 31 1.418 8.579 -11.497 241 HG12 VAL 31 2HG1 VAL 31 1.888 9.868 -10.387 242 HG13 VAL 31 3HG1 VAL 31 2.615 8.268 -10.240 243 HG21 VAL 31 3HG2 VAL 31 -0.788 6.784 -9.267 244 HG22 VAL 31 1HG2 VAL 31 -0.556 7.280 -10.943 245 HG23 VAL 31 2HG2 VAL 31 0.688 6.336 -10.122 246 H ARG 32 H ARG 32 0.931 6.653 -6.124 247 HA ARG 32 HA ARG 32 -1.870 7.293 -5.605 248 HB2 ARG 32 2HB ARG 32 -0.029 5.096 -4.696 249 HB3 ARG 32 3HB ARG 32 -1.562 5.390 -3.885 250 HG2 ARG 32 2HG ARG 32 -1.445 4.996 -6.849 251 HG3 ARG 32 3HG ARG 32 -1.463 3.620 -5.743 252 HD2 ARG 32 2HD ARG 32 -3.579 4.199 -4.892 253 HD3 ARG 32 3HD ARG 32 -3.505 5.817 -5.589 254 HE ARG 32 HE ARG 32 -3.441 3.715 -7.547 255 HH11 ARG 32 1HH1 ARG 32 -5.487 5.744 -5.593 256 HH12 ARG 32 2HH1 ARG 32 -6.852 5.609 -6.651 257 HH21 ARG 32 2HH2 ARG 32 -6.706 4.349 -8.559 258 HH22 ARG 32 1HH2 ARG 32 -5.231 3.530 -8.948 259 H ASP 33 H ASP 33 1.306 7.593 -4.166 260 HA ASP 33 HA ASP 33 0.125 8.865 -1.795 261 HB2 ASP 33 2HB ASP 33 2.371 7.118 -2.181 262 HB3 ASP 33 3HB ASP 33 2.929 8.641 -1.495 263 H ILE 34 H ILE 34 2.292 9.388 -4.498 264 HA ILE 34 HA ILE 34 2.542 12.214 -3.698 265 HB ILE 34 HB ILE 34 4.385 10.699 -5.547 266 HG12 ILE 34 2HG1 ILE 34 5.840 11.359 -3.303 267 HG13 ILE 34 3HG1 ILE 34 4.286 10.891 -2.623 268 HG21 ILE 34 1HG2 ILE 34 4.378 13.477 -4.417 269 HG22 ILE 34 2HG2 ILE 34 5.867 12.711 -4.970 270 HG23 ILE 34 3HG2 ILE 34 4.534 12.963 -6.097 271 HD11 ILE 34 3HD1 ILE 34 4.438 8.760 -3.861 272 HD12 ILE 34 1HD1 ILE 34 6.046 9.231 -4.408 273 HD13 ILE 34 2HD1 ILE 34 5.736 8.986 -2.689 274 H THR 35 H THR 35 1.139 13.418 -4.792 275 HA THR 35 HA THR 35 0.589 12.752 -7.606 276 HB THR 35 HB THR 35 -1.453 12.737 -6.396 277 HG1 THR 35 HG1 THR 35 -2.351 13.920 -7.893 278 HG21 THR 35 3HG2 THR 35 -1.497 13.793 -4.424 279 HG22 THR 35 1HG2 THR 35 -1.864 15.260 -5.329 280 HG23 THR 35 2HG2 THR 35 -0.196 14.886 -4.895 281 H LEU 36 H LEU 36 1.975 13.872 -8.846 282 HA LEU 36 HA LEU 36 2.285 16.752 -8.303 283 HB2 LEU 36 2HB LEU 36 4.415 16.570 -9.581 284 HB3 LEU 36 3HB LEU 36 4.394 15.687 -8.056 285 HG LEU 36 HG LEU 36 3.613 13.806 -9.943 286 HD11 LEU 36 1HD1 LEU 36 4.355 15.457 -11.676 287 HD12 LEU 36 2HD1 LEU 36 5.185 13.902 -11.724 288 HD13 LEU 36 3HD1 LEU 36 5.988 15.307 -11.024 289 HD21 LEU 36 3HD2 LEU 36 5.172 13.696 -7.919 290 HD22 LEU 36 1HD2 LEU 36 6.447 14.194 -9.032 291 HD23 LEU 36 2HD2 LEU 36 5.571 12.689 -9.311 292 HA PRO 37 HA PRO 37 0.444 17.686 -12.178 293 HB2 PRO 37 2HB PRO 37 1.798 19.936 -12.868 294 HB3 PRO 37 3HB PRO 37 0.591 19.899 -11.577 295 HG2 PRO 37 2HG PRO 37 3.576 19.783 -11.383 296 HG3 PRO 37 3HG PRO 37 2.426 20.701 -10.394 297 HD2 PRO 37 2HD PRO 37 3.526 18.370 -9.564 298 HD3 PRO 37 3HD PRO 37 1.887 18.872 -9.099 299 H GLU 38 H GLU 38 0.694 16.893 -14.171 300 HA GLU 38 HA GLU 38 3.057 17.215 -15.714 301 HB2 GLU 38 2HB GLU 38 3.824 15.421 -14.191 302 HB3 GLU 38 3HB GLU 38 2.484 14.417 -14.724 303 HG2 GLU 38 2HG GLU 38 3.399 14.067 -16.813 304 HG3 GLU 38 3HG GLU 38 4.416 15.504 -16.721 305 H GLY 39 H GLY 39 0.558 14.679 -15.422 306 HA2 GLY 39 2HA GLY 39 -1.421 15.099 -16.965 307 HA3 GLY 39 3HA GLY 39 -0.196 15.265 -18.214 308 H SER 40 H SER 40 1.007 12.997 -16.214 309 HA SER 40 HA SER 40 -0.456 10.767 -17.437 310 HB2 SER 40 2HB SER 40 1.983 9.720 -17.597 311 HB3 SER 40 3HB SER 40 1.321 10.707 -18.900 312 HG SER 40 HG SER 40 3.499 11.260 -18.143 313 H ASP 41 H ASP 41 -1.303 9.808 -15.698 314 HA ASP 41 HA ASP 41 0.390 9.431 -13.325 315 HB2 ASP 41 2HB ASP 41 -2.594 9.494 -13.716 316 HB3 ASP 41 3HB ASP 41 -1.876 8.792 -12.268 317 H VAL 42 H VAL 42 -1.398 7.765 -15.806 318 HA VAL 42 HA VAL 42 -0.598 5.186 -14.624 319 HB VAL 42 HB VAL 42 -2.839 5.653 -16.594 320 HG11 VAL 42 1HG1 VAL 42 -2.320 3.451 -16.907 321 HG12 VAL 42 2HG1 VAL 42 -1.676 3.255 -15.275 322 HG13 VAL 42 3HG1 VAL 42 -3.420 3.302 -15.537 323 HG21 VAL 42 3HG2 VAL 42 -2.747 6.069 -13.754 324 HG22 VAL 42 1HG2 VAL 42 -4.076 6.341 -14.881 325 HG23 VAL 42 2HG2 VAL 42 -3.860 4.756 -14.139 326 H TRP 43 H TRP 43 0.568 3.769 -15.827 327 HA TRP 43 HA TRP 43 1.248 4.590 -18.575 328 HB2 TRP 43 2HB TRP 43 2.972 4.341 -16.357 329 HB3 TRP 43 3HB TRP 43 3.302 2.954 -17.392 330 HD1 TRP 43 HD1 TRP 43 2.453 6.556 -18.536 331 HE1 TRP 43 HE1 TRP 43 4.393 7.401 -20.002 332 HE3 TRP 43 HE3 TRP 43 5.629 2.580 -18.050 333 HZ2 TRP 43 HZ2 TRP 43 6.933 6.500 -20.842 334 HZ3 TRP 43 HZ3 TRP 43 7.794 2.650 -19.218 335 HH2 TRP 43 HH2 TRP 43 8.430 4.570 -20.585 336 H VAL 44 H VAL 44 0.113 3.232 -19.830 337 HA VAL 44 HA VAL 44 -0.122 0.417 -19.097 338 HB VAL 44 HB VAL 44 -1.357 1.937 -21.398 339 HG11 VAL 44 1HG1 VAL 44 -1.758 -0.071 -22.270 340 HG12 VAL 44 2HG1 VAL 44 -1.147 -0.890 -20.831 341 HG13 VAL 44 3HG1 VAL 44 -2.830 -0.366 -20.901 342 HG21 VAL 44 3HG2 VAL 44 -3.422 1.821 -20.120 343 HG22 VAL 44 1HG2 VAL 44 -2.587 0.975 -18.817 344 HG23 VAL 44 2HG2 VAL 44 -2.172 2.648 -19.190 345 H CYS 45 H CYS 45 1.358 -0.977 -19.767 346 HA CYS 45 HA CYS 45 2.959 -0.348 -22.136 347 HB2 CYS 45 2HB CYS 45 3.410 -2.584 -20.157 348 HB3 CYS 45 3HB CYS 45 4.555 -1.943 -21.331 349 HG CYS 45 HG CYS 45 5.283 -1.207 -18.693 350 H CYS 46 H CYS 46 1.761 -0.958 -23.877 351 HA CYS 46 HA CYS 46 0.292 -3.422 -23.941 352 HB2 CYS 46 2HB CYS 46 0.967 -1.403 -26.086 353 HB3 CYS 46 3HB CYS 46 -0.032 -2.824 -26.367 354 HG CYS 46 HG CYS 46 -2.015 -1.118 -26.113 355 H LEU 47 H LEU 47 0.647 -4.871 -25.962 356 HA LEU 47 HA LEU 47 3.169 -6.123 -25.656 357 HB2 LEU 47 2HB LEU 47 2.285 -7.816 -26.851 358 HB3 LEU 47 3HB LEU 47 0.779 -6.968 -26.502 359 HG LEU 47 HG LEU 47 2.360 -6.757 -29.065 360 HD11 LEU 47 1HD1 LEU 47 0.707 -8.107 -30.074 361 HD12 LEU 47 2HD1 LEU 47 -0.322 -8.049 -28.643 362 HD13 LEU 47 3HD1 LEU 47 1.195 -8.948 -28.602 363 HD21 LEU 47 3HD2 LEU 47 1.252 -4.824 -29.263 364 HD22 LEU 47 1HD2 LEU 47 0.171 -5.200 -27.922 365 HD23 LEU 47 2HD2 LEU 47 -0.174 -5.827 -29.534 366 HA PRO 48 HA PRO 48 5.712 -4.203 -28.671 367 HB2 PRO 48 2HB PRO 48 7.077 -6.311 -29.702 368 HB3 PRO 48 3HB PRO 48 7.367 -5.682 -28.075 369 HG2 PRO 48 2HG PRO 48 5.742 -8.046 -28.930 370 HG3 PRO 48 3HG PRO 48 6.871 -7.897 -27.571 371 HD2 PRO 48 2HD PRO 48 4.186 -7.735 -27.259 372 HD3 PRO 48 3HD PRO 48 5.322 -6.830 -26.238 373 H ARG 49 H ARG 49 4.627 -3.337 -30.359 374 HA ARG 49 HA ARG 49 4.444 -4.864 -32.793 375 HB2 ARG 49 2HB ARG 49 2.090 -4.663 -33.155 376 HB3 ARG 49 3HB ARG 49 2.315 -5.401 -31.574 377 HG2 ARG 49 2HG ARG 49 0.777 -3.885 -30.956 378 HG3 ARG 49 3HG ARG 49 2.177 -2.815 -30.859 379 HD2 ARG 49 2HD ARG 49 0.343 -1.768 -32.086 380 HD3 ARG 49 3HD ARG 49 1.744 -2.028 -33.125 381 HE ARG 49 HE ARG 49 0.132 -4.240 -33.454 382 HH11 ARG 49 1HH1 ARG 49 -0.146 -0.801 -33.922 383 HH12 ARG 49 2HH1 ARG 49 -1.277 -0.939 -35.228 384 HH21 ARG 49 2HH2 ARG 49 -1.965 -3.005 -35.937 385 HH22 ARG 49 1HH2 ARG 49 -1.356 -4.434 -35.172 386 H ASP 50 H ASP 50 3.898 -1.884 -31.029 387 HA ASP 50 HA ASP 50 4.233 -0.372 -33.535 388 HB2 ASP 50 2HB ASP 50 2.373 -0.090 -31.388 389 HB3 ASP 50 3HB ASP 50 3.404 1.338 -31.415 390 H SER 51 H SER 51 6.174 -1.562 -31.410 391 HA SER 51 HA SER 51 8.283 -1.040 -30.718 392 HB2 SER 51 2HB SER 51 8.213 0.320 -32.938 393 HB3 SER 51 3HB SER 51 8.036 1.720 -31.880 394 HG SER 51 HG SER 51 10.039 1.477 -31.191 395 H LEU 52 H LEU 52 6.806 -1.021 -28.702 396 HA LEU 52 HA LEU 52 6.478 -0.216 -26.601 397 HB2 LEU 52 2HB LEU 52 8.784 1.246 -27.600 398 HB3 LEU 52 3HB LEU 52 7.870 2.163 -26.405 399 HG LEU 52 HG LEU 52 8.171 0.404 -24.771 400 HD11 LEU 52 1HD1 LEU 52 9.966 -1.384 -25.599 401 HD12 LEU 52 2HD1 LEU 52 9.142 -1.093 -27.131 402 HD13 LEU 52 3HD1 LEU 52 8.227 -1.647 -25.729 403 HD21 LEU 52 3HD2 LEU 52 10.874 0.349 -25.107 404 HD22 LEU 52 1HD2 LEU 52 9.972 1.679 -24.381 405 HD23 LEU 52 2HD2 LEU 52 10.419 1.744 -26.086 406 H THR 53 H THR 53 4.291 0.216 -27.355 407 HA THR 53 HA THR 53 3.670 3.008 -27.946 408 HB THR 53 HB THR 53 1.428 1.122 -27.661 409 HG1 THR 53 HG1 THR 53 2.307 -0.388 -28.845 410 HG21 THR 53 3HG2 THR 53 1.277 3.426 -28.596 411 HG22 THR 53 1HG2 THR 53 0.686 2.180 -29.694 412 HG23 THR 53 2HG2 THR 53 2.277 2.898 -29.949 413 H LEU 54 H LEU 54 4.653 2.560 -25.364 414 HA LEU 54 HA LEU 54 2.809 2.106 -23.354 415 HB2 LEU 54 2HB LEU 54 4.944 4.220 -23.224 416 HB3 LEU 54 3HB LEU 54 4.261 3.290 -21.892 417 HG LEU 54 HG LEU 54 5.499 1.568 -23.865 418 HD11 LEU 54 1HD1 LEU 54 6.813 3.881 -23.870 419 HD12 LEU 54 2HD1 LEU 54 7.634 2.324 -23.973 420 HD13 LEU 54 3HD1 LEU 54 7.535 3.168 -22.428 421 HD21 LEU 54 3HD2 LEU 54 5.948 0.381 -22.027 422 HD22 LEU 54 1HD2 LEU 54 4.937 1.550 -21.177 423 HD23 LEU 54 2HD2 LEU 54 6.689 1.757 -21.210 424 H SER 55 H SER 55 0.985 3.078 -22.797 425 HA SER 55 HA SER 55 0.429 5.758 -23.834 426 HB2 SER 55 2HB SER 55 -1.160 3.390 -23.314 427 HB3 SER 55 3HB SER 55 -1.860 4.807 -22.532 428 HG SER 55 HG SER 55 -2.428 4.326 -24.836 429 H ALA 56 H ALA 56 0.691 7.460 -22.566 430 HA ALA 56 HA ALA 56 0.510 7.087 -19.648 431 HB1 ALA 56 1HB ALA 56 1.934 9.440 -20.751 432 HB2 ALA 56 2HB ALA 56 2.280 8.473 -19.317 433 HB3 ALA 56 3HB ALA 56 2.714 7.867 -20.915 434 H ALA 57 H ALA 57 -1.139 8.054 -18.676 435 HA ALA 57 HA ALA 57 -2.060 10.661 -19.524 436 HB1 ALA 57 1HB ALA 57 -3.773 8.211 -19.821 437 HB2 ALA 57 2HB ALA 57 -4.460 9.827 -19.654 438 HB3 ALA 57 3HB ALA 57 -3.409 9.452 -21.020 439 H ASN 58 H ASN 58 -3.132 11.774 -17.917 440 HA ASN 58 HA ASN 58 -3.347 10.376 -15.332 441 HB2 ASN 58 2HB ASN 58 -1.637 11.957 -15.044 442 HB3 ASN 58 3HB ASN 58 -2.468 13.168 -16.016 443 HD21 ASN 58 2HD2 ASN 58 -3.285 14.677 -12.993 444 HD22 ASN 58 1HD2 ASN 58 -2.354 14.739 -14.446 445 H SER 59 H SER 59 -5.442 9.904 -15.061 446 HA SER 59 HA SER 59 -7.703 10.124 -14.898 447 HB2 SER 59 2HB SER 59 -6.916 12.988 -14.309 448 HB3 SER 59 3HB SER 59 -8.515 12.305 -14.015 449 HG SER 59 HG SER 59 -7.739 11.666 -12.181 450 H GLU 60 H GLU 60 -6.512 10.432 -17.526 451 HA GLU 60 HA GLU 60 -8.534 12.166 -18.788 452 HB2 GLU 60 2HB GLU 60 -5.795 12.351 -19.042 453 HB3 GLU 60 3HB GLU 60 -6.251 11.421 -20.462 454 HG2 GLU 60 2HG GLU 60 -7.988 13.235 -20.887 455 HG3 GLU 60 3HG GLU 60 -7.114 14.184 -19.685 456 H ASP 61 H ASP 61 -7.046 9.030 -18.678 457 HA ASP 61 HA ASP 61 -8.502 8.094 -21.020 458 HB2 ASP 61 2HB ASP 61 -6.159 7.364 -20.614 459 HB3 ASP 61 3HB ASP 61 -6.696 6.553 -19.146 460 H GLU 62 H GLU 62 -10.598 7.697 -20.713 461 HA GLU 62 HA GLU 62 -11.367 5.835 -18.612 462 HB2 GLU 62 2HB GLU 62 -11.888 8.648 -18.446 463 HB3 GLU 62 3HB GLU 62 -13.412 7.794 -18.645 464 HG2 GLU 62 2HG GLU 62 -12.848 6.368 -16.731 465 HG3 GLU 62 3HG GLU 62 -11.347 7.268 -16.519 466 H GLY 63 H GLY 63 -11.199 6.068 -21.637 467 HA2 GLY 63 2HA GLY 63 -13.836 6.085 -22.674 468 HA3 GLY 63 3HA GLY 63 -12.419 5.419 -23.473 469 H GLN 64 H GLN 64 -12.096 3.244 -23.489 470 HA GLN 64 HA GLN 64 -14.058 1.606 -22.025 471 HB2 GLN 64 2HB GLN 64 -13.306 1.618 -24.885 472 HB3 GLN 64 3HB GLN 64 -13.469 0.032 -24.143 473 HG2 GLN 64 2HG GLN 64 -15.703 1.480 -23.302 474 HG3 GLN 64 3HG GLN 64 -15.502 1.863 -25.011 475 HE21 GLN 64 2HE2 GLN 64 -17.226 -1.014 -25.822 476 HE22 GLN 64 1HE2 GLN 64 -17.035 0.697 -25.970 477 H ILE 65 H ILE 65 -13.198 0.168 -20.686 478 HA ILE 65 HA ILE 65 -10.615 -1.042 -21.304 479 HB ILE 65 HB ILE 65 -9.967 0.845 -19.944 480 HG12 ILE 65 2HG1 ILE 65 -9.858 -1.279 -17.881 481 HG13 ILE 65 3HG1 ILE 65 -9.243 -1.715 -19.472 482 HG21 ILE 65 1HG2 ILE 65 -12.042 -0.158 -18.004 483 HG22 ILE 65 2HG2 ILE 65 -10.827 1.058 -17.612 484 HG23 ILE 65 3HG2 ILE 65 -12.029 1.384 -18.860 485 HD11 ILE 65 3HD1 ILE 65 -7.414 -0.450 -19.243 486 HD12 ILE 65 1HD1 ILE 65 -8.292 0.862 -18.457 487 HD13 ILE 65 2HD1 ILE 65 -7.785 -0.544 -17.521 488 H ARG 66 H ARG 66 -10.336 -3.080 -20.458 489 HA ARG 66 HA ARG 66 -12.523 -4.138 -18.796 490 HB2 ARG 66 2HB ARG 66 -12.581 -4.751 -21.310 491 HB3 ARG 66 3HB ARG 66 -11.208 -5.786 -20.938 492 HG2 ARG 66 2HG ARG 66 -12.958 -7.252 -20.731 493 HG3 ARG 66 3HG ARG 66 -12.765 -6.707 -19.064 494 HD2 ARG 66 2HD ARG 66 -14.945 -6.227 -19.130 495 HD3 ARG 66 3HD ARG 66 -14.488 -4.847 -20.127 496 HE ARG 66 HE ARG 66 -14.751 -6.915 -21.892 497 HH11 ARG 66 1HH1 ARG 66 -16.805 -5.428 -19.506 498 HH12 ARG 66 2HH1 ARG 66 -18.271 -5.779 -20.360 499 HH21 ARG 66 2HH2 ARG 66 -18.196 -6.891 -22.361 500 HH22 ARG 66 1HH2 ARG 66 -16.674 -7.383 -23.025 501 H TYR 67 H TYR 67 -11.974 -5.792 -17.354 502 HA TYR 67 HA TYR 67 -9.179 -5.786 -16.571 503 HB2 TYR 67 2HB TYR 67 -11.597 -7.045 -15.260 504 HB3 TYR 67 3HB TYR 67 -9.981 -6.990 -14.565 505 HD1 TYR 67 HD1 TYR 67 -9.036 -4.857 -13.786 506 HD2 TYR 67 HD2 TYR 67 -13.022 -5.109 -15.253 507 HE1 TYR 67 HE1 TYR 67 -9.540 -2.673 -12.774 508 HE2 TYR 67 HE2 TYR 67 -13.537 -2.925 -14.246 509 HH TYR 67 HH TYR 67 -11.066 -0.898 -12.888 510 H PHE 68 H PHE 68 -7.788 -7.283 -17.202 511 HA PHE 68 HA PHE 68 -8.828 -9.864 -18.156 512 HB2 PHE 68 2HB PHE 68 -7.630 -8.668 -19.880 513 HB3 PHE 68 3HB PHE 68 -6.258 -8.412 -18.807 514 HD1 PHE 68 HD1 PHE 68 -7.988 -10.776 -20.968 515 HD2 PHE 68 HD2 PHE 68 -4.738 -10.237 -18.273 516 HE1 PHE 68 HE1 PHE 68 -6.972 -12.864 -21.782 517 HE2 PHE 68 HE2 PHE 68 -3.717 -12.324 -19.083 518 HZ PHE 68 HZ PHE 68 -4.833 -13.640 -20.840 519 H LEU 69 H LEU 69 -7.960 -11.784 -17.427 520 HA LEU 69 HA LEU 69 -5.662 -12.054 -15.845 521 HB2 LEU 69 2HB LEU 69 -8.017 -11.149 -14.448 522 HB3 LEU 69 3HB LEU 69 -7.497 -12.722 -13.846 523 HG LEU 69 HG LEU 69 -5.556 -10.449 -14.083 524 HD11 LEU 69 1HD1 LEU 69 -6.985 -10.985 -11.523 525 HD12 LEU 69 2HD1 LEU 69 -7.730 -9.933 -12.727 526 HD13 LEU 69 3HD1 LEU 69 -6.146 -9.531 -12.064 527 HD21 LEU 69 3HD2 LEU 69 -5.462 -12.397 -11.881 528 HD22 LEU 69 1HD2 LEU 69 -4.166 -11.760 -12.894 529 HD23 LEU 69 2HD2 LEU 69 -5.195 -13.062 -13.494 530 HA PRO 70 HA PRO 70 -8.246 -16.118 -15.536 531 HB2 PRO 70 2HB PRO 70 -10.812 -16.046 -16.419 532 HB3 PRO 70 3HB PRO 70 -10.360 -15.678 -14.751 533 HG2 PRO 70 2HG PRO 70 -10.952 -13.805 -17.009 534 HG3 PRO 70 3HG PRO 70 -11.464 -13.711 -15.314 535 HD2 PRO 70 2HD PRO 70 -9.400 -12.259 -16.295 536 HD3 PRO 70 3HD PRO 70 -9.443 -12.847 -14.621 537 H ASP 71 H ASP 71 -8.133 -13.989 -18.164 538 HA ASP 71 HA ASP 71 -8.079 -14.244 -20.437 539 HB2 ASP 71 2HB ASP 71 -6.580 -15.976 -21.206 540 HB3 ASP 71 3HB ASP 71 -5.967 -15.335 -19.685 541 H ARG 72 H ARG 72 -10.525 -15.125 -19.209 542 HA ARG 72 HA ARG 72 -11.372 -17.071 -21.243 543 HB2 ARG 72 2HB ARG 72 -11.180 -17.704 -18.582 544 HB3 ARG 72 3HB ARG 72 -12.859 -17.199 -18.715 545 HG2 ARG 72 2HG ARG 72 -13.324 -18.864 -20.337 546 HG3 ARG 72 3HG ARG 72 -11.611 -19.237 -20.537 547 HD2 ARG 72 2HD ARG 72 -12.121 -19.561 -17.812 548 HD3 ARG 72 3HD ARG 72 -13.512 -20.274 -18.629 549 HE ARG 72 HE ARG 72 -11.075 -21.132 -19.809 550 HH11 ARG 72 1HH1 ARG 72 -13.136 -21.614 -17.045 551 HH12 ARG 72 2HH1 ARG 72 -12.617 -23.245 -16.779 552 HH21 ARG 72 2HH2 ARG 72 -11.051 -24.191 -18.158 553 HH22 ARG 72 1HH2 ARG 72 -10.384 -23.279 -19.469 554 H ASP 73 H ASP 73 -11.525 -14.102 -20.969 555 HA ASP 73 HA ASP 73 -14.403 -13.669 -20.709 556 HB2 ASP 73 2HB ASP 73 -12.748 -12.114 -19.624 557 HB3 ASP 73 3HB ASP 73 -12.251 -11.614 -21.238 558 H GLU 74 H GLU 74 -13.412 -15.212 -22.925 559 HA GLU 74 HA GLU 74 -13.701 -15.430 -25.171 560 HB2 GLU 74 2HB GLU 74 -15.464 -12.993 -24.864 561 HB3 GLU 74 3HB GLU 74 -15.464 -14.106 -26.225 562 HG2 GLU 74 2HG GLU 74 -15.984 -15.892 -24.399 563 HG3 GLU 74 3HG GLU 74 -16.506 -14.494 -23.461 564 H GLY 75 H GLY 75 -11.383 -14.138 -24.421 565 HA2 GLY 75 2HA GLY 75 -10.970 -12.400 -26.750 566 HA3 GLY 75 3HA GLY 75 -10.500 -11.800 -25.167 567 H MET 76 H MET 76 -9.557 -14.310 -24.145 568 HA MET 76 HA MET 76 -6.886 -14.208 -24.790 569 HB2 MET 76 2HB MET 76 -7.578 -15.374 -22.824 570 HB3 MET 76 3HB MET 76 -8.543 -16.508 -23.760 571 HG2 MET 76 2HG MET 76 -5.665 -16.412 -24.392 572 HG3 MET 76 3HG MET 76 -6.103 -17.061 -22.813 573 HE1 MET 76 3HE MET 76 -7.439 -19.199 -22.397 574 HE2 MET 76 1HE MET 76 -7.069 -20.548 -23.472 575 HE3 MET 76 2HE MET 76 -5.762 -19.571 -22.802 576 H MET 77 H MET 77 -9.462 -15.904 -26.429 577 HA MET 77 HA MET 77 -7.942 -17.677 -27.974 578 HB2 MET 77 2HB MET 77 -9.889 -17.663 -29.526 579 HB3 MET 77 3HB MET 77 -10.334 -17.920 -27.844 580 HG2 MET 77 2HG MET 77 -10.930 -15.526 -27.682 581 HG3 MET 77 3HG MET 77 -10.591 -15.361 -29.403 582 HE1 MET 77 3HE MET 77 -12.593 -14.941 -30.748 583 HE2 MET 77 1HE MET 77 -14.232 -15.322 -30.220 584 HE3 MET 77 2HE MET 77 -13.208 -14.278 -29.233 585 H GLU 78 H GLU 78 -8.856 -14.308 -28.525 586 HA GLU 78 HA GLU 78 -7.455 -14.271 -31.076 587 HB2 GLU 78 2HB GLU 78 -9.402 -12.543 -29.695 588 HB3 GLU 78 3HB GLU 78 -8.184 -11.684 -30.627 589 HG2 GLU 78 2HG GLU 78 -8.793 -13.197 -32.561 590 HG3 GLU 78 3HG GLU 78 -10.185 -13.695 -31.602 591 H GLU 79 H GLU 79 -6.895 -13.509 -27.779 592 HA GLU 79 HA GLU 79 -4.562 -11.861 -28.449 593 HB2 GLU 79 2HB GLU 79 -6.486 -11.723 -26.385 594 HB3 GLU 79 3HB GLU 79 -4.966 -12.164 -25.621 595 HG2 GLU 79 2HG GLU 79 -4.774 -9.909 -25.545 596 HG3 GLU 79 3HG GLU 79 -4.047 -10.199 -27.124 597 H GLY 80 H GLY 80 -4.882 -14.886 -28.625 598 HA2 GLY 80 2HA GLY 80 -2.263 -15.503 -27.604 599 HA3 GLY 80 3HA GLY 80 -3.551 -16.313 -26.725 600 H LYS 81 H LYS 81 -5.300 -16.747 -28.913 601 HA LYS 81 HA LYS 81 -3.839 -18.912 -30.241 602 HB2 LYS 81 2HB LYS 81 -6.303 -18.856 -28.989 603 HB3 LYS 81 3HB LYS 81 -6.724 -18.790 -30.695 604 HG2 LYS 81 2HG LYS 81 -5.532 -20.826 -31.128 605 HG3 LYS 81 3HG LYS 81 -4.909 -20.860 -29.477 606 HD2 LYS 81 2HD LYS 81 -7.623 -20.688 -29.094 607 HD3 LYS 81 3HD LYS 81 -7.499 -21.713 -30.525 608 HE2 LYS 81 2HE LYS 81 -5.856 -23.120 -29.278 609 HE3 LYS 81 3HE LYS 81 -6.196 -22.156 -27.843 610 HZ1 LYS 81 3HZ LYS 81 -7.829 -23.588 -27.450 611 HZ2 LYS 81 1HZ LYS 81 -7.702 -24.294 -28.983 612 HZ3 LYS 81 2HZ LYS 81 -8.656 -22.916 -28.764 613 H LEU 82 H LEU 82 -3.894 -15.964 -30.986 614 HA LEU 82 HA LEU 82 -4.574 -16.387 -33.815 615 HB2 LEU 82 2HB LEU 82 -5.675 -14.447 -31.978 616 HB3 LEU 82 3HB LEU 82 -4.886 -13.658 -33.343 617 HG LEU 82 HG LEU 82 -7.314 -13.997 -33.666 618 HD11 LEU 82 1HD1 LEU 82 -6.721 -13.915 -35.800 619 HD12 LEU 82 2HD1 LEU 82 -6.618 -15.675 -35.803 620 HD13 LEU 82 3HD1 LEU 82 -5.186 -14.709 -35.449 621 HD21 LEU 82 3HD2 LEU 82 -7.168 -16.282 -32.423 622 HD22 LEU 82 1HD2 LEU 82 -6.808 -16.917 -34.028 623 HD23 LEU 82 2HD2 LEU 82 -8.325 -16.067 -33.737 624 H ASP 83 H ASP 83 -2.930 -14.101 -31.624 625 HA ASP 83 HA ASP 83 -0.739 -13.952 -33.590 626 HB2 ASP 83 2HB ASP 83 -1.201 -11.801 -31.557 627 HB3 ASP 83 3HB ASP 83 -0.431 -11.695 -33.138 628 H ALA 84 H ALA 84 1.148 -14.742 -32.950 629 HA ALA 84 HA ALA 84 1.578 -15.945 -30.472 630 HB1 ALA 84 1HB ALA 84 3.130 -15.422 -32.868 631 HB2 ALA 84 2HB ALA 84 4.114 -15.370 -31.404 632 HB3 ALA 84 3HB ALA 84 3.163 -16.808 -31.777 633 H SER 85 H SER 85 2.013 -12.656 -31.494 634 HA SER 85 HA SER 85 3.809 -11.826 -29.472 635 HB2 SER 85 2HB SER 85 1.951 -10.439 -31.360 636 HB3 SER 85 3HB SER 85 2.631 -9.521 -30.017 637 HG SER 85 HG SER 85 4.721 -10.260 -30.772 638 H CYS 86 H CYS 86 0.283 -11.919 -29.671 639 HA CYS 86 HA CYS 86 -0.173 -10.600 -27.195 640 HB2 CYS 86 2HB CYS 86 -1.983 -12.469 -28.739 641 HB3 CYS 86 3HB CYS 86 -2.484 -11.405 -27.431 642 HG CYS 86 HG CYS 86 -3.303 -10.412 -29.969 643 H ALA 87 H ALA 87 -0.003 -14.002 -28.158 644 HA ALA 87 HA ALA 87 -0.721 -15.104 -25.667 645 HB1 ALA 87 1HB ALA 87 -0.369 -17.108 -26.642 646 HB2 ALA 87 2HB ALA 87 -0.312 -16.139 -28.115 647 HB3 ALA 87 3HB ALA 87 1.186 -16.627 -27.322 648 H VAL 88 H VAL 88 2.413 -14.214 -27.047 649 HA VAL 88 HA VAL 88 3.964 -15.236 -24.893 650 HB VAL 88 HB VAL 88 4.632 -13.177 -26.998 651 HG11 VAL 88 1HG1 VAL 88 6.130 -14.127 -24.654 652 HG12 VAL 88 2HG1 VAL 88 7.023 -14.149 -26.177 653 HG13 VAL 88 3HG1 VAL 88 6.308 -12.645 -25.594 654 HG21 VAL 88 3HG2 VAL 88 5.520 -14.883 -28.264 655 HG22 VAL 88 1HG2 VAL 88 5.761 -15.936 -26.869 656 HG23 VAL 88 2HG2 VAL 88 4.141 -15.694 -27.521 657 H ALA 89 H ALA 89 2.613 -12.063 -25.657 658 HA ALA 89 HA ALA 89 3.880 -10.611 -23.608 659 HB1 ALA 89 1HB ALA 89 1.132 -9.921 -24.564 660 HB2 ALA 89 2HB ALA 89 2.477 -8.855 -24.157 661 HB3 ALA 89 3HB ALA 89 2.514 -9.789 -25.652 662 H ILE 90 H ILE 90 0.746 -12.277 -23.705 663 HA ILE 90 HA ILE 90 -0.027 -11.551 -21.074 664 HB ILE 90 HB ILE 90 -0.949 -13.869 -22.777 665 HG12 ILE 90 2HG1 ILE 90 -2.345 -11.241 -22.274 666 HG13 ILE 90 3HG1 ILE 90 -1.280 -11.501 -23.650 667 HG21 ILE 90 1HG2 ILE 90 -1.426 -14.275 -20.433 668 HG22 ILE 90 2HG2 ILE 90 -2.159 -12.678 -20.285 669 HG23 ILE 90 3HG2 ILE 90 -2.916 -13.904 -21.302 670 HD11 ILE 90 3HD1 ILE 90 -4.006 -12.491 -23.146 671 HD12 ILE 90 1HD1 ILE 90 -3.222 -12.027 -24.655 672 HD13 ILE 90 2HD1 ILE 90 -2.899 -13.608 -23.943 673 H GLU 91 H GLU 91 1.396 -14.517 -22.426 674 HA GLU 91 HA GLU 91 1.487 -16.010 -20.073 675 HB2 GLU 91 2HB GLU 91 3.043 -16.043 -22.625 676 HB3 GLU 91 3HB GLU 91 3.596 -17.033 -21.281 677 HG2 GLU 91 2HG GLU 91 1.266 -18.002 -21.202 678 HG3 GLU 91 3HG GLU 91 0.979 -17.194 -22.742 679 H GLU 92 H GLU 92 3.701 -13.582 -21.332 680 HA GLU 92 HA GLU 92 5.741 -14.031 -19.392 681 HB2 GLU 92 2HB GLU 92 6.077 -12.929 -21.625 682 HB3 GLU 92 3HB GLU 92 5.244 -11.517 -20.990 683 HG2 GLU 92 2HG GLU 92 7.058 -10.797 -19.934 684 HG3 GLU 92 3HG GLU 92 7.393 -12.388 -19.254 685 H ALA 93 H ALA 93 3.116 -11.666 -19.702 686 HA ALA 93 HA ALA 93 3.686 -10.107 -17.467 687 HB1 ALA 93 1HB ALA 93 0.836 -10.463 -17.850 688 HB2 ALA 93 2HB ALA 93 1.835 -9.025 -18.066 689 HB3 ALA 93 3HB ALA 93 1.682 -10.197 -19.375 690 H ILE 94 H ILE 94 1.733 -13.057 -17.731 691 HA ILE 94 HA ILE 94 1.027 -13.085 -14.959 692 HB ILE 94 HB ILE 94 0.131 -15.313 -15.384 693 HG12 ILE 94 2HG1 ILE 94 1.422 -15.012 -18.103 694 HG13 ILE 94 3HG1 ILE 94 1.871 -16.173 -16.858 695 HG21 ILE 94 1HG2 ILE 94 -0.705 -13.909 -17.842 696 HG22 ILE 94 2HG2 ILE 94 -1.672 -14.554 -16.517 697 HG23 ILE 94 3HG2 ILE 94 -0.847 -13.006 -16.334 698 HD11 ILE 94 3HD1 ILE 94 -0.500 -17.064 -17.070 699 HD12 ILE 94 1HD1 ILE 94 -0.599 -16.111 -18.550 700 HD13 ILE 94 2HD1 ILE 94 0.610 -17.386 -18.401 701 H GLN 95 H GLN 95 3.567 -14.510 -16.911 702 HA GLN 95 HA GLN 95 4.507 -16.374 -15.009 703 HB2 GLN 95 2HB GLN 95 5.100 -16.472 -17.395 704 HB3 GLN 95 3HB GLN 95 6.021 -14.984 -17.226 705 HG2 GLN 95 2HG GLN 95 7.738 -16.002 -16.128 706 HG3 GLN 95 3HG GLN 95 6.706 -17.262 -15.453 707 HE21 GLN 95 2HE2 GLN 95 8.475 -19.250 -17.767 708 HE22 GLN 95 1HE2 GLN 95 8.438 -18.686 -16.135 709 H LEU 96 H LEU 96 5.049 -12.957 -15.464 710 HA LEU 96 HA LEU 96 7.237 -12.886 -13.560 711 HB2 LEU 96 2HB LEU 96 5.797 -10.761 -15.128 712 HB3 LEU 96 3HB LEU 96 7.043 -10.392 -13.938 713 HG LEU 96 HG LEU 96 7.657 -12.250 -16.199 714 HD11 LEU 96 1HD1 LEU 96 8.042 -9.292 -16.461 715 HD12 LEU 96 2HD1 LEU 96 6.554 -10.068 -17.004 716 HD13 LEU 96 3HD1 LEU 96 8.101 -10.540 -17.706 717 HD21 LEU 96 3HD2 LEU 96 9.764 -10.518 -15.671 718 HD22 LEU 96 1HD2 LEU 96 9.611 -12.192 -15.137 719 HD23 LEU 96 2HD2 LEU 96 9.078 -10.879 -14.086 720 H TYR 97 H TYR 97 3.866 -11.816 -13.755 721 HA TYR 97 HA TYR 97 3.722 -10.512 -11.286 722 HB2 TYR 97 2HB TYR 97 1.985 -10.375 -13.049 723 HB3 TYR 97 3HB TYR 97 1.518 -12.035 -12.695 724 HD1 TYR 97 HD1 TYR 97 1.991 -8.779 -10.915 725 HD2 TYR 97 HD2 TYR 97 -0.269 -12.366 -11.275 726 HE1 TYR 97 HE1 TYR 97 0.438 -7.966 -9.190 727 HE2 TYR 97 HE2 TYR 97 -1.829 -11.563 -9.552 728 HH TYR 97 HH TYR 97 -1.899 -8.353 -8.487 729 H GLU 98 H GLU 98 3.163 -13.905 -12.138 730 HA GLU 98 HA GLU 98 2.466 -14.666 -9.464 731 HB2 GLU 98 2HB GLU 98 2.868 -16.060 -12.058 732 HB3 GLU 98 3HB GLU 98 3.044 -17.022 -10.596 733 HG2 GLU 98 2HG GLU 98 0.770 -16.050 -9.921 734 HG3 GLU 98 3HG GLU 98 0.627 -15.580 -11.614 735 H GLU 99 H GLU 99 5.392 -14.166 -11.154 736 HA GLU 99 HA GLU 99 6.979 -15.928 -9.498 737 HB2 GLU 99 2HB GLU 99 7.708 -15.638 -11.764 738 HB3 GLU 99 3HB GLU 99 7.704 -13.887 -11.600 739 HG2 GLU 99 2HG GLU 99 9.637 -13.874 -10.316 740 HG3 GLU 99 3HG GLU 99 9.475 -15.575 -9.882 741 H GLN 100 H GLN 100 6.046 -12.578 -9.571 742 HA GLN 100 HA GLN 100 7.943 -11.922 -7.440 743 HB2 GLN 100 2HB GLN 100 6.330 -10.328 -9.378 744 HB3 GLN 100 3HB GLN 100 6.762 -9.584 -7.844 745 HG2 GLN 100 2HG GLN 100 9.105 -10.773 -8.838 746 HG3 GLN 100 3HG GLN 100 8.345 -9.941 -10.194 747 HE21 GLN 100 2HE2 GLN 100 9.246 -6.783 -9.135 748 HE22 GLN 100 1HE2 GLN 100 8.569 -7.808 -10.350 749 H LEU 101 H LEU 101 4.539 -12.359 -8.059 750 HA LEU 101 HA LEU 101 3.383 -11.107 -5.890 751 HB2 LEU 101 2HB LEU 101 2.037 -12.096 -7.604 752 HB3 LEU 101 3HB LEU 101 2.657 -13.703 -7.232 753 HG LEU 101 HG LEU 101 1.518 -13.542 -5.011 754 HD11 LEU 101 1HD1 LEU 101 0.743 -11.581 -4.331 755 HD12 LEU 101 2HD1 LEU 101 -0.452 -11.633 -5.626 756 HD13 LEU 101 3HD1 LEU 101 1.107 -10.853 -5.896 757 HD21 LEU 101 3HD2 LEU 101 0.584 -14.546 -7.221 758 HD22 LEU 101 1HD2 LEU 101 -0.519 -13.170 -7.166 759 HD23 LEU 101 2HD2 LEU 101 -0.489 -14.329 -5.837 760 H LYS 102 H LYS 102 4.713 -14.399 -6.048 761 HA LYS 102 HA LYS 102 4.176 -15.011 -3.326 762 HB2 LYS 102 2HB LYS 102 6.074 -16.242 -5.328 763 HB3 LYS 102 3HB LYS 102 5.800 -16.895 -3.718 764 HG2 LYS 102 2HG LYS 102 3.555 -17.429 -4.209 765 HG3 LYS 102 3HG LYS 102 3.577 -16.475 -5.693 766 HD2 LYS 102 2HD LYS 102 5.377 -18.064 -6.517 767 HD3 LYS 102 3HD LYS 102 4.966 -19.086 -5.137 768 HE2 LYS 102 2HE LYS 102 2.784 -18.139 -6.934 769 HE3 LYS 102 3HE LYS 102 3.833 -19.445 -7.485 770 HZ1 LYS 102 3HZ LYS 102 2.784 -20.873 -6.175 771 HZ2 LYS 102 1HZ LYS 102 1.642 -19.671 -5.839 772 HZ3 LYS 102 2HZ LYS 102 2.970 -19.885 -4.814 773 H ALA 103 H ALA 103 6.827 -13.478 -4.997 774 HA ALA 103 HA ALA 103 8.794 -13.714 -2.994 775 HB1 ALA 103 1HB ALA 103 8.556 -12.473 -5.527 776 HB2 ALA 103 2HB ALA 103 9.131 -11.257 -4.386 777 HB3 ALA 103 3HB ALA 103 10.017 -12.769 -4.584 778 H GLN 104 H GLN 104 6.167 -11.436 -3.477 779 HA GLN 104 HA GLN 104 7.015 -9.942 -1.096 780 HB2 GLN 104 2HB GLN 104 5.552 -8.174 -1.829 781 HB3 GLN 104 3HB GLN 104 6.563 -8.663 -3.182 782 HG2 GLN 104 2HG GLN 104 4.732 -8.899 -4.394 783 HG3 GLN 104 3HG GLN 104 4.263 -10.242 -3.352 784 HE21 GLN 104 2HE2 GLN 104 2.659 -6.532 -2.679 785 HE22 GLN 104 1HE2 GLN 104 4.235 -6.693 -3.368 786 H ALA 105 H ALA 105 5.594 -12.622 -1.270 787 HA ALA 105 HA ALA 105 3.240 -11.902 0.353 788 HB1 ALA 105 1HB ALA 105 3.684 -14.278 -1.444 789 HB2 ALA 105 2HB ALA 105 2.339 -14.141 -0.311 790 HB3 ALA 105 3HB ALA 105 2.497 -12.987 -1.635 791 H GLY 106 H GLY 106 6.103 -12.341 1.141 792 HA2 GLY 106 2HA GLY 106 6.586 -13.046 3.422 793 HA3 GLY 106 3HA GLY 106 5.574 -14.454 3.134 794 H GLY 107 H GLY 107 6.771 -14.770 0.404 795 HA2 GLY 107 2HA GLY 107 8.935 -15.348 -0.478 796 HA3 GLY 107 3HA GLY 107 9.475 -15.655 1.165 797 H THR 108 H THR 108 6.965 -16.797 -1.095 798 HA THR 108 HA THR 108 6.296 -18.896 -1.673 799 HB THR 108 HB THR 108 8.641 -20.135 -0.281 800 HG1 THR 108 HG1 THR 108 9.830 -19.612 -2.270 801 HG21 THR 108 3HG2 THR 108 8.025 -20.844 -3.047 802 HG22 THR 108 1HG2 THR 108 6.674 -21.101 -1.943 803 HG23 THR 108 2HG2 THR 108 8.227 -21.878 -1.633 804 H ASN 109 H ASN 109 4.802 -18.143 0.218 805 HA ASN 109 HA ASN 109 3.510 -18.721 1.999 806 HB2 ASN 109 2HB ASN 109 4.694 -21.445 1.420 807 HB3 ASN 109 3HB ASN 109 3.340 -21.157 2.508 808 HD21 ASN 109 2HD2 ASN 109 1.080 -21.507 -0.057 809 HD22 ASN 109 1HD2 ASN 109 1.535 -21.782 1.587 810 H GLU 110 H GLU 110 6.065 -17.640 2.570 811 HA GLU 110 HA GLU 110 7.556 -17.341 4.266 812 HB2 GLU 110 2HB GLU 110 5.002 -18.056 5.468 813 HB3 GLU 110 3HB GLU 110 6.361 -18.475 6.502 814 HG2 GLU 110 2HG GLU 110 6.895 -16.324 6.908 815 HG3 GLU 110 3HG GLU 110 6.435 -15.789 5.293 Start of MODEL 8 1 H1 MET 1 H MET 1 3.455 -1.334 0.378 2 HA MET 1 HA MET 1 2.227 0.626 -1.102 3 HB2 MET 1 2HB MET 1 4.742 -0.890 -1.311 4 HB3 MET 1 3HB MET 1 4.191 -0.175 -2.820 5 HG2 MET 1 2HG MET 1 4.194 2.012 -1.868 6 HG3 MET 1 3HG MET 1 4.504 1.366 -0.259 7 HE1 MET 1 3HE MET 1 6.289 1.215 0.765 8 HE2 MET 1 1HE MET 1 7.912 0.810 0.206 9 HE3 MET 1 2HE MET 1 7.398 2.496 0.274 10 H ILE 2 H ILE 2 0.559 0.483 -2.443 11 HA ILE 2 HA ILE 2 0.545 -1.669 -4.443 12 HB ILE 2 HB ILE 2 -1.976 -1.721 -4.217 13 HG12 ILE 2 2HG1 ILE 2 -1.868 -0.943 -1.403 14 HG13 ILE 2 3HG1 ILE 2 -1.539 0.401 -2.491 15 HG21 ILE 2 1HG2 ILE 2 -0.091 -2.773 -2.145 16 HG22 ILE 2 2HG2 ILE 2 -1.817 -3.118 -2.044 17 HG23 ILE 2 3HG2 ILE 2 -0.898 -3.628 -3.460 18 HD11 ILE 2 3HD1 ILE 2 -3.849 -1.272 -3.201 19 HD12 ILE 2 1HD1 ILE 2 -3.999 -0.340 -1.712 20 HD13 ILE 2 2HD1 ILE 2 -3.655 0.480 -3.236 21 HA PRO 3 HA PRO 3 -0.008 2.525 -6.361 22 HB2 PRO 3 2HB PRO 3 1.788 2.106 -8.354 23 HB3 PRO 3 3HB PRO 3 2.246 2.721 -6.761 24 HG2 PRO 3 2HG PRO 3 2.430 -0.065 -7.841 25 HG3 PRO 3 3HG PRO 3 3.612 0.842 -6.878 26 HD2 PRO 3 2HD PRO 3 1.971 -1.019 -5.794 27 HD3 PRO 3 3HD PRO 3 2.515 0.413 -4.897 28 H SER 4 H SER 4 -1.270 2.979 -8.119 29 HA SER 4 HA SER 4 -2.809 2.607 -9.755 30 HB2 SER 4 2HB SER 4 -2.007 1.611 -11.693 31 HB3 SER 4 3HB SER 4 -0.504 1.989 -10.852 32 HG SER 4 HG SER 4 -1.794 -0.497 -11.154 33 H PHE 5 H PHE 5 -3.096 1.144 -7.269 34 HA PHE 5 HA PHE 5 -4.256 -0.583 -6.333 35 HB2 PHE 5 2HB PHE 5 -5.757 0.362 -8.660 36 HB3 PHE 5 3HB PHE 5 -6.172 -1.282 -8.190 37 HD1 PHE 5 HD1 PHE 5 -6.987 2.050 -7.732 38 HD2 PHE 5 HD2 PHE 5 -6.457 -1.557 -5.536 39 HE1 PHE 5 HE1 PHE 5 -8.424 2.933 -5.940 40 HE2 PHE 5 HE2 PHE 5 -7.893 -0.681 -3.742 41 HZ PHE 5 HZ PHE 5 -8.880 1.567 -3.943 42 H ALA 6 H ALA 6 -2.542 -2.097 -6.389 43 HA ALA 6 HA ALA 6 -1.653 -4.155 -6.789 44 HB1 ALA 6 1HB ALA 6 -3.346 -5.451 -8.556 45 HB2 ALA 6 2HB ALA 6 -3.399 -5.536 -6.794 46 HB3 ALA 6 3HB ALA 6 -4.410 -4.373 -7.652 47 HA PRO 7 HA PRO 7 0.062 -2.609 -10.776 48 HB2 PRO 7 2HB PRO 7 2.651 -2.843 -9.996 49 HB3 PRO 7 3HB PRO 7 1.666 -1.420 -9.639 50 HG2 PRO 7 2HG PRO 7 2.335 -3.751 -7.883 51 HG3 PRO 7 3HG PRO 7 2.304 -2.023 -7.485 52 HD2 PRO 7 2HD PRO 7 0.284 -3.704 -6.833 53 HD3 PRO 7 3HD PRO 7 0.013 -1.995 -7.227 54 H GLY 8 H GLY 8 0.530 -3.910 -12.450 55 HA2 GLY 8 2HA GLY 8 1.855 -5.711 -13.392 56 HA3 GLY 8 3HA GLY 8 1.669 -6.570 -11.869 57 H THR 9 H THR 9 -1.069 -4.929 -13.193 58 HA THR 9 HA THR 9 -2.299 -7.534 -13.763 59 HB THR 9 HB THR 9 -3.813 -4.945 -13.540 60 HG1 THR 9 HG1 THR 9 -4.079 -5.515 -11.293 61 HG21 THR 9 3HG2 THR 9 -5.595 -6.260 -13.778 62 HG22 THR 9 1HG2 THR 9 -5.076 -7.268 -12.429 63 HG23 THR 9 2HG2 THR 9 -4.513 -7.622 -14.062 64 H LEU 10 H LEU 10 -2.954 -8.075 -15.759 65 HA LEU 10 HA LEU 10 -2.417 -6.189 -17.921 66 HB2 LEU 10 2HB LEU 10 -1.575 -8.594 -17.870 67 HB3 LEU 10 3HB LEU 10 -3.240 -9.065 -18.205 68 HG LEU 10 HG LEU 10 -1.739 -7.188 -20.008 69 HD11 LEU 10 1HD1 LEU 10 -1.750 -9.660 -21.244 70 HD12 LEU 10 2HD1 LEU 10 -1.262 -10.016 -19.587 71 HD13 LEU 10 3HD1 LEU 10 -0.353 -8.844 -20.542 72 HD21 LEU 10 3HD2 LEU 10 -4.190 -8.910 -20.242 73 HD22 LEU 10 1HD2 LEU 10 -3.355 -8.263 -21.654 74 HD23 LEU 10 2HD2 LEU 10 -4.045 -7.165 -20.458 75 H VAL 11 H VAL 11 -4.015 -4.976 -18.667 76 HA VAL 11 HA VAL 11 -6.754 -6.068 -18.618 77 HB VAL 11 HB VAL 11 -7.548 -3.714 -18.525 78 HG11 VAL 11 1HG1 VAL 11 -6.292 -5.235 -16.431 79 HG12 VAL 11 2HG1 VAL 11 -6.169 -3.506 -16.100 80 HG13 VAL 11 3HG1 VAL 11 -7.748 -4.242 -16.375 81 HG21 VAL 11 3HG2 VAL 11 -5.853 -2.017 -17.730 82 HG22 VAL 11 1HG2 VAL 11 -4.606 -3.158 -18.232 83 HG23 VAL 11 2HG2 VAL 11 -5.725 -2.496 -19.422 84 H TRP 12 H TRP 12 -8.128 -4.496 -20.205 85 HA TRP 12 HA TRP 12 -6.712 -4.583 -22.788 86 HB2 TRP 12 2HB TRP 12 -9.457 -5.426 -21.991 87 HB3 TRP 12 3HB TRP 12 -9.245 -4.738 -23.599 88 HD1 TRP 12 HD1 TRP 12 -6.244 -6.662 -22.517 89 HE1 TRP 12 HE1 TRP 12 -6.186 -8.948 -23.698 90 HE3 TRP 12 HE3 TRP 12 -10.976 -6.694 -24.453 91 HZ2 TRP 12 HZ2 TRP 12 -7.918 -10.552 -25.246 92 HZ3 TRP 12 HZ3 TRP 12 -11.697 -8.642 -25.772 93 HH2 TRP 12 HH2 TRP 12 -10.198 -10.530 -26.160 94 H LEU 13 H LEU 13 -6.679 -2.787 -24.011 95 HA LEU 13 HA LEU 13 -8.241 -0.477 -23.062 96 HB2 LEU 13 2HB LEU 13 -5.526 -0.696 -23.257 97 HB3 LEU 13 3HB LEU 13 -5.940 0.062 -24.793 98 HG LEU 13 HG LEU 13 -7.344 1.551 -22.932 99 HD11 LEU 13 1HD1 LEU 13 -6.251 1.715 -20.992 100 HD12 LEU 13 2HD1 LEU 13 -4.671 1.686 -21.774 101 HD13 LEU 13 3HD1 LEU 13 -5.512 0.174 -21.430 102 HD21 LEU 13 3HD2 LEU 13 -4.595 2.141 -24.021 103 HD22 LEU 13 1HD2 LEU 13 -5.818 3.307 -23.516 104 HD23 LEU 13 2HD2 LEU 13 -6.091 2.306 -24.943 105 H LYS 14 H LYS 14 -9.902 -0.049 -24.345 106 HA LYS 14 HA LYS 14 -9.654 -0.597 -27.224 107 HB2 LYS 14 2HB LYS 14 -11.522 -1.640 -25.773 108 HB3 LYS 14 3HB LYS 14 -12.239 -0.034 -25.794 109 HG2 LYS 14 2HG LYS 14 -11.470 -1.352 -28.359 110 HG3 LYS 14 3HG LYS 14 -12.970 -1.802 -27.544 111 HD2 LYS 14 2HD LYS 14 -12.690 1.062 -27.636 112 HD3 LYS 14 3HD LYS 14 -12.545 0.375 -29.256 113 HE2 LYS 14 2HE LYS 14 -14.777 -0.285 -27.341 114 HE3 LYS 14 3HE LYS 14 -14.878 0.979 -28.566 115 HZ1 LYS 14 3HZ LYS 14 -15.315 -1.778 -28.863 116 HZ2 LYS 14 1HZ LYS 14 -13.988 -1.347 -29.820 117 HZ3 LYS 14 2HZ LYS 14 -15.470 -0.558 -30.024 118 H GLN 15 H GLN 15 -9.237 1.110 -28.449 119 HA GLN 15 HA GLN 15 -9.700 3.790 -27.485 120 HB2 GLN 15 2HB GLN 15 -8.098 2.526 -29.549 121 HB3 GLN 15 3HB GLN 15 -8.920 3.957 -30.156 122 HG2 GLN 15 2HG GLN 15 -7.107 3.824 -27.758 123 HG3 GLN 15 3HG GLN 15 -6.720 4.520 -29.330 124 HE21 GLN 15 2HE2 GLN 15 -8.506 6.718 -26.527 125 HE22 GLN 15 1HE2 GLN 15 -7.853 5.141 -26.257 126 H ASP 16 H ASP 16 -10.766 5.422 -28.881 127 HA ASP 16 HA ASP 16 -13.425 4.701 -29.425 128 HB2 ASP 16 2HB ASP 16 -11.767 7.124 -29.700 129 HB3 ASP 16 3HB ASP 16 -13.140 7.035 -30.799 130 H ARG 17 H ARG 17 -10.883 5.707 -31.721 131 HA ARG 17 HA ARG 17 -12.428 4.557 -33.911 132 HB2 ARG 17 2HB ARG 17 -10.194 6.497 -33.677 133 HB3 ARG 17 3HB ARG 17 -10.235 5.512 -35.133 134 HG2 ARG 17 2HG ARG 17 -11.509 7.206 -35.888 135 HG3 ARG 17 3HG ARG 17 -12.791 6.312 -35.069 136 HD2 ARG 17 2HD ARG 17 -12.555 7.704 -33.105 137 HD3 ARG 17 3HD ARG 17 -11.185 8.544 -33.832 138 HE ARG 17 HE ARG 17 -13.941 9.085 -34.270 139 HH11 ARG 17 1HH1 ARG 17 -10.832 9.062 -35.836 140 HH12 ARG 17 2HH1 ARG 17 -11.260 10.279 -36.992 141 HH21 ARG 17 2HH2 ARG 17 -13.355 11.204 -36.963 142 HH22 ARG 17 1HH2 ARG 17 -14.516 10.689 -35.787 143 H PHE 18 H PHE 18 -9.665 3.879 -31.954 144 HA PHE 18 HA PHE 18 -8.688 1.829 -33.785 145 HB2 PHE 18 2HB PHE 18 -7.544 3.407 -31.644 146 HB3 PHE 18 3HB PHE 18 -7.220 1.693 -31.404 147 HD1 PHE 18 HD1 PHE 18 -5.004 1.365 -31.959 148 HD2 PHE 18 HD2 PHE 18 -7.470 3.689 -34.535 149 HE1 PHE 18 HE1 PHE 18 -3.174 1.482 -33.600 150 HE2 PHE 18 HE2 PHE 18 -5.645 3.809 -36.180 151 HZ PHE 18 HZ PHE 18 -3.494 2.704 -35.714 152 HA PRO 19 HA PRO 19 -10.595 -1.582 -31.792 153 HB2 PRO 19 2HB PRO 19 -8.664 -3.482 -31.980 154 HB3 PRO 19 3HB PRO 19 -9.599 -2.922 -33.371 155 HG2 PRO 19 2HG PRO 19 -6.847 -2.133 -32.496 156 HG3 PRO 19 3HG PRO 19 -7.444 -2.485 -34.128 157 HD2 PRO 19 2HD PRO 19 -7.110 0.041 -33.213 158 HD3 PRO 19 3HD PRO 19 -8.382 -0.394 -34.373 159 H TRP 20 H TRP 20 -9.638 -3.584 -30.272 160 HA TRP 20 HA TRP 20 -8.643 -2.183 -27.884 161 HB2 TRP 20 2HB TRP 20 -9.603 -4.354 -26.765 162 HB3 TRP 20 3HB TRP 20 -10.690 -3.057 -27.254 163 HD1 TRP 20 HD1 TRP 20 -12.312 -3.524 -29.322 164 HE1 TRP 20 HE1 TRP 20 -13.064 -5.703 -30.466 165 HE3 TRP 20 HE3 TRP 20 -8.790 -6.700 -27.413 166 HZ2 TRP 20 HZ2 TRP 20 -12.270 -8.411 -30.549 167 HZ3 TRP 20 HZ3 TRP 20 -8.857 -9.069 -28.074 168 HH2 TRP 20 HH2 TRP 20 -10.561 -9.905 -29.609 169 H TRP 21 H TRP 21 -6.658 -2.624 -27.206 170 HA TRP 21 HA TRP 21 -5.462 -5.214 -27.947 171 HB2 TRP 21 2HB TRP 21 -4.181 -2.478 -27.918 172 HB3 TRP 21 3HB TRP 21 -3.256 -3.975 -27.992 173 HD1 TRP 21 HD1 TRP 21 -4.475 -1.426 -30.218 174 HE1 TRP 21 HE1 TRP 21 -4.703 -2.282 -32.635 175 HE3 TRP 21 HE3 TRP 21 -4.223 -6.453 -29.325 176 HZ2 TRP 21 HZ2 TRP 21 -4.768 -4.761 -33.984 177 HZ3 TRP 21 HZ3 TRP 21 -4.376 -7.999 -31.234 178 HH2 TRP 21 HH2 TRP 21 -4.643 -7.169 -33.514 179 HA PRO 22 HA PRO 22 -4.560 -5.852 -23.699 180 HB2 PRO 22 2HB PRO 22 -2.238 -7.250 -23.856 181 HB3 PRO 22 3HB PRO 22 -3.806 -7.939 -24.295 182 HG2 PRO 22 2HG PRO 22 -1.673 -6.806 -26.063 183 HG3 PRO 22 3HG PRO 22 -2.646 -8.272 -26.282 184 HD2 PRO 22 2HD PRO 22 -3.199 -5.952 -27.563 185 HD3 PRO 22 3HD PRO 22 -4.464 -7.098 -27.076 186 H GLY 23 H GLY 23 -3.366 -5.044 -21.987 187 HA2 GLY 23 2HA GLY 23 -0.850 -3.687 -22.457 188 HA3 GLY 23 3HA GLY 23 -2.192 -2.620 -22.069 189 H PHE 24 H PHE 24 0.401 -3.833 -20.716 190 HA PHE 24 HA PHE 24 -0.706 -4.898 -18.270 191 HB2 PHE 24 2HB PHE 24 1.690 -5.233 -19.524 192 HB3 PHE 24 3HB PHE 24 2.121 -4.062 -18.282 193 HD1 PHE 24 HD1 PHE 24 -0.092 -7.068 -18.409 194 HD2 PHE 24 HD2 PHE 24 3.113 -5.045 -16.472 195 HE1 PHE 24 HE1 PHE 24 0.049 -8.884 -16.754 196 HE2 PHE 24 HE2 PHE 24 3.260 -6.858 -14.815 197 HZ PHE 24 HZ PHE 24 1.728 -8.781 -14.955 198 H VAL 25 H VAL 25 -1.154 -3.811 -16.457 199 HA VAL 25 HA VAL 25 -0.984 -0.935 -16.470 200 HB VAL 25 HB VAL 25 -1.959 -2.807 -14.308 201 HG11 VAL 25 1HG1 VAL 25 -3.114 -0.768 -13.455 202 HG12 VAL 25 2HG1 VAL 25 -1.355 -0.706 -13.328 203 HG13 VAL 25 3HG1 VAL 25 -2.180 0.184 -14.609 204 HG21 VAL 25 3HG2 VAL 25 -3.224 -2.923 -16.438 205 HG22 VAL 25 1HG2 VAL 25 -4.181 -2.306 -15.091 206 HG23 VAL 25 2HG2 VAL 25 -3.545 -1.194 -16.303 207 H MET 26 H MET 26 0.767 0.140 -15.861 208 HA MET 26 HA MET 26 2.300 -0.835 -13.559 209 HB2 MET 26 2HB MET 26 3.421 -0.024 -16.239 210 HB3 MET 26 3HB MET 26 4.398 -0.090 -14.779 211 HG2 MET 26 2HG MET 26 3.129 -2.544 -14.838 212 HG3 MET 26 3HG MET 26 3.522 -2.222 -16.526 213 HE1 MET 26 3HE MET 26 5.857 -3.844 -13.291 214 HE2 MET 26 1HE MET 26 5.949 -2.130 -12.885 215 HE3 MET 26 2HE MET 26 4.378 -2.895 -13.130 216 H ASP 27 H ASP 27 3.112 0.740 -12.229 217 HA ASP 27 HA ASP 27 2.129 3.446 -12.738 218 HB2 ASP 27 2HB ASP 27 1.953 1.944 -10.504 219 HB3 ASP 27 3HB ASP 27 3.452 2.805 -10.165 220 HA PRO 28 HA PRO 28 6.142 4.943 -13.782 221 HB2 PRO 28 2HB PRO 28 5.702 7.585 -13.343 222 HB3 PRO 28 3HB PRO 28 5.054 6.724 -14.743 223 HG2 PRO 28 2HG PRO 28 3.701 7.452 -12.174 224 HG3 PRO 28 3HG PRO 28 3.084 7.558 -13.833 225 HD2 PRO 28 2HD PRO 28 2.425 5.533 -12.160 226 HD3 PRO 28 3HD PRO 28 2.562 5.315 -13.917 227 H ASP 29 H ASP 29 4.628 5.975 -10.753 228 HA ASP 29 HA ASP 29 6.863 5.354 -9.173 229 HB2 ASP 29 2HB ASP 29 7.492 7.566 -10.503 230 HB3 ASP 29 3HB ASP 29 6.550 8.321 -9.221 231 H GLU 30 H GLU 30 4.416 4.594 -8.731 232 HA GLU 30 HA GLU 30 2.625 4.602 -7.318 233 HB2 GLU 30 2HB GLU 30 4.472 6.153 -5.500 234 HB3 GLU 30 3HB GLU 30 3.109 5.151 -5.022 235 HG2 GLU 30 2HG GLU 30 4.410 3.372 -4.899 236 HG3 GLU 30 3HG GLU 30 4.912 3.582 -6.576 237 H VAL 31 H VAL 31 1.267 5.936 -8.553 238 HA VAL 31 HA VAL 31 1.218 8.786 -7.869 239 HB VAL 31 HB VAL 31 -0.336 9.037 -9.755 240 HG11 VAL 31 1HG1 VAL 31 2.056 7.450 -10.653 241 HG12 VAL 31 2HG1 VAL 31 1.255 8.782 -11.488 242 HG13 VAL 31 3HG1 VAL 31 2.178 9.089 -10.016 243 HG21 VAL 31 3HG2 VAL 31 -0.833 6.351 -9.399 244 HG22 VAL 31 1HG2 VAL 31 -1.378 7.334 -10.758 245 HG23 VAL 31 2HG2 VAL 31 0.107 6.392 -10.890 246 H ARG 32 H ARG 32 0.144 6.325 -6.319 247 HA ARG 32 HA ARG 32 -2.684 6.999 -6.142 248 HB2 ARG 32 2HB ARG 32 -2.889 5.065 -4.714 249 HB3 ARG 32 3HB ARG 32 -1.945 4.626 -6.131 250 HG2 ARG 32 2HG ARG 32 -0.587 3.689 -4.612 251 HG3 ARG 32 3HG ARG 32 0.030 5.334 -4.440 252 HD2 ARG 32 2HD ARG 32 -1.127 5.698 -2.465 253 HD3 ARG 32 3HD ARG 32 -2.298 4.424 -2.800 254 HE ARG 32 HE ARG 32 0.385 3.460 -2.435 255 HH11 ARG 32 1HH1 ARG 32 -2.579 4.356 -0.842 256 HH12 ARG 32 2HH1 ARG 32 -2.277 3.376 0.555 257 HH21 ARG 32 2HH2 ARG 32 -0.358 2.132 0.691 258 HH22 ARG 32 1HH2 ARG 32 0.794 2.167 -0.601 259 H ASP 33 H ASP 33 0.282 7.319 -4.308 260 HA ASP 33 HA ASP 33 -1.185 8.600 -2.112 261 HB2 ASP 33 2HB ASP 33 1.096 6.888 -2.210 262 HB3 ASP 33 3HB ASP 33 1.604 8.443 -1.555 263 H ILE 34 H ILE 34 1.268 9.169 -4.554 264 HA ILE 34 HA ILE 34 1.320 12.011 -3.774 265 HB ILE 34 HB ILE 34 3.433 10.514 -5.327 266 HG12 ILE 34 2HG1 ILE 34 4.600 11.311 -2.983 267 HG13 ILE 34 3HG1 ILE 34 2.980 10.885 -2.443 268 HG21 ILE 34 1HG2 ILE 34 4.784 12.542 -4.905 269 HG22 ILE 34 2HG2 ILE 34 3.366 12.852 -5.905 270 HG23 ILE 34 3HG2 ILE 34 3.360 13.309 -4.202 271 HD11 ILE 34 3HD1 ILE 34 3.220 8.664 -3.318 272 HD12 ILE 34 1HD1 ILE 34 4.778 9.074 -4.034 273 HD13 ILE 34 2HD1 ILE 34 4.597 9.032 -2.279 274 H THR 35 H THR 35 0.005 13.132 -5.051 275 HA THR 35 HA THR 35 -0.131 12.431 -7.908 276 HB THR 35 HB THR 35 -2.221 14.048 -7.709 277 HG1 THR 35 HG1 THR 35 -3.172 13.432 -5.536 278 HG21 THR 35 3HG2 THR 35 -1.925 11.405 -8.050 279 HG22 THR 35 1HG2 THR 35 -3.501 12.178 -7.893 280 HG23 THR 35 2HG2 THR 35 -2.758 11.400 -6.496 281 H LEU 36 H LEU 36 1.361 13.634 -8.937 282 HA LEU 36 HA LEU 36 1.395 16.530 -8.394 283 HB2 LEU 36 2HB LEU 36 3.591 14.720 -9.381 284 HB3 LEU 36 3HB LEU 36 3.702 16.479 -9.350 285 HG LEU 36 HG LEU 36 3.213 14.865 -6.861 286 HD11 LEU 36 1HD1 LEU 36 5.273 14.049 -7.015 287 HD12 LEU 36 2HD1 LEU 36 5.860 15.703 -6.838 288 HD13 LEU 36 3HD1 LEU 36 5.623 15.019 -8.446 289 HD21 LEU 36 3HD2 LEU 36 3.117 17.575 -7.381 290 HD22 LEU 36 1HD2 LEU 36 4.722 17.339 -6.689 291 HD23 LEU 36 2HD2 LEU 36 3.292 16.821 -5.796 292 HA PRO 37 HA PRO 37 0.109 17.317 -12.518 293 HB2 PRO 37 2HB PRO 37 1.399 19.651 -13.028 294 HB3 PRO 37 3HB PRO 37 0.015 19.538 -11.935 295 HG2 PRO 37 2HG PRO 37 2.936 19.627 -11.288 296 HG3 PRO 37 3HG PRO 37 1.589 20.469 -10.500 297 HD2 PRO 37 2HD PRO 37 2.703 18.223 -9.476 298 HD3 PRO 37 3HD PRO 37 0.983 18.614 -9.274 299 H GLU 38 H GLU 38 0.713 16.526 -14.433 300 HA GLU 38 HA GLU 38 3.302 16.978 -15.556 301 HB2 GLU 38 2HB GLU 38 2.816 14.524 -14.052 302 HB3 GLU 38 3HB GLU 38 3.315 14.214 -15.709 303 HG2 GLU 38 2HG GLU 38 5.399 15.042 -15.389 304 HG3 GLU 38 3HG GLU 38 4.868 16.219 -14.189 305 H GLY 39 H GLY 39 0.933 14.321 -15.815 306 HA2 GLY 39 2HA GLY 39 -0.753 14.903 -17.719 307 HA3 GLY 39 3HA GLY 39 0.716 14.902 -18.684 308 H SER 40 H SER 40 1.570 12.684 -16.633 309 HA SER 40 HA SER 40 0.005 10.484 -17.781 310 HB2 SER 40 2HB SER 40 2.157 9.218 -18.131 311 HB3 SER 40 3HB SER 40 1.931 10.592 -19.214 312 HG SER 40 HG SER 40 3.372 11.770 -17.993 313 H ASP 41 H ASP 41 -0.896 9.614 -16.027 314 HA ASP 41 HA ASP 41 0.742 9.278 -13.609 315 HB2 ASP 41 2HB ASP 41 -2.247 9.329 -14.027 316 HB3 ASP 41 3HB ASP 41 -1.503 8.824 -12.512 317 H VAL 42 H VAL 42 -1.061 7.572 -16.052 318 HA VAL 42 HA VAL 42 -0.383 5.018 -14.744 319 HB VAL 42 HB VAL 42 -2.586 5.581 -16.734 320 HG11 VAL 42 1HG1 VAL 42 -3.193 3.163 -15.832 321 HG12 VAL 42 2HG1 VAL 42 -2.129 3.400 -17.220 322 HG13 VAL 42 3HG1 VAL 42 -1.444 3.074 -15.627 323 HG21 VAL 42 3HG2 VAL 42 -3.943 5.962 -15.012 324 HG22 VAL 42 1HG2 VAL 42 -3.407 4.494 -14.195 325 HG23 VAL 42 2HG2 VAL 42 -2.518 6.000 -13.974 326 H TRP 43 H TRP 43 0.759 3.505 -15.851 327 HA TRP 43 HA TRP 43 1.630 4.235 -18.571 328 HB2 TRP 43 2HB TRP 43 3.220 3.950 -16.339 329 HB3 TRP 43 3HB TRP 43 3.362 2.374 -17.113 330 HD1 TRP 43 HD1 TRP 43 3.172 3.623 -20.153 331 HE1 TRP 43 HE1 TRP 43 5.284 4.749 -21.099 332 HE3 TRP 43 HE3 TRP 43 5.616 4.580 -15.766 333 HZ2 TRP 43 HZ2 TRP 43 7.671 5.892 -20.116 334 HZ3 TRP 43 HZ3 TRP 43 7.809 5.692 -15.856 335 HH2 TRP 43 HH2 TRP 43 8.814 6.333 -17.987 336 H VAL 44 H VAL 44 0.642 2.983 -20.009 337 HA VAL 44 HA VAL 44 0.038 0.196 -19.310 338 HB VAL 44 HB VAL 44 -0.979 1.793 -21.664 339 HG11 VAL 44 1HG1 VAL 44 -0.986 -0.632 -22.004 340 HG12 VAL 44 2HG1 VAL 44 -1.900 -0.838 -20.509 341 HG13 VAL 44 3HG1 VAL 44 -2.624 0.008 -21.877 342 HG21 VAL 44 3HG2 VAL 44 -1.948 2.879 -19.861 343 HG22 VAL 44 1HG2 VAL 44 -3.148 1.647 -20.250 344 HG23 VAL 44 2HG2 VAL 44 -2.046 1.407 -18.894 345 H CYS 45 H CYS 45 1.509 -1.240 -19.923 346 HA CYS 45 HA CYS 45 3.157 -0.704 -22.281 347 HB2 CYS 45 2HB CYS 45 4.202 -1.343 -20.072 348 HB3 CYS 45 3HB CYS 45 3.480 -2.935 -20.271 349 HG CYS 45 HG CYS 45 4.931 -3.630 -22.505 350 H CYS 46 H CYS 46 1.952 -1.270 -24.031 351 HA CYS 46 HA CYS 46 0.365 -3.657 -24.098 352 HB2 CYS 46 2HB CYS 46 1.181 -1.706 -26.257 353 HB3 CYS 46 3HB CYS 46 0.103 -3.070 -26.530 354 HG CYS 46 HG CYS 46 -0.484 -0.195 -24.829 355 H LEU 47 H LEU 47 0.682 -5.123 -26.129 356 HA LEU 47 HA LEU 47 3.119 -6.519 -25.756 357 HB2 LEU 47 2HB LEU 47 2.196 -8.153 -27.022 358 HB3 LEU 47 3HB LEU 47 0.728 -7.262 -26.627 359 HG LEU 47 HG LEU 47 2.280 -7.047 -29.207 360 HD11 LEU 47 1HD1 LEU 47 -0.496 -8.045 -29.135 361 HD12 LEU 47 2HD1 LEU 47 0.742 -9.127 -28.498 362 HD13 LEU 47 3HD1 LEU 47 0.862 -8.527 -30.152 363 HD21 LEU 47 3HD2 LEU 47 0.179 -5.421 -27.993 364 HD22 LEU 47 1HD2 LEU 47 -0.205 -5.982 -29.620 365 HD23 LEU 47 2HD2 LEU 47 1.268 -5.056 -29.332 366 HA PRO 48 HA PRO 48 5.842 -4.724 -28.692 367 HB2 PRO 48 2HB PRO 48 7.156 -6.900 -29.644 368 HB3 PRO 48 3HB PRO 48 7.413 -6.259 -28.017 369 HG2 PRO 48 2HG PRO 48 5.726 -8.569 -28.898 370 HG3 PRO 48 3HG PRO 48 6.811 -8.444 -27.501 371 HD2 PRO 48 2HD PRO 48 4.125 -8.171 -27.289 372 HD3 PRO 48 3HD PRO 48 5.260 -7.297 -26.240 373 H ARG 49 H ARG 49 4.850 -3.841 -30.428 374 HA ARG 49 HA ARG 49 4.695 -5.393 -32.848 375 HB2 ARG 49 2HB ARG 49 2.363 -5.105 -33.296 376 HB3 ARG 49 3HB ARG 49 2.507 -5.839 -31.705 377 HG2 ARG 49 2HG ARG 49 1.008 -4.264 -31.146 378 HG3 ARG 49 3HG ARG 49 2.441 -3.243 -31.012 379 HD2 ARG 49 2HD ARG 49 2.107 -2.489 -33.320 380 HD3 ARG 49 3HD ARG 49 0.668 -3.501 -33.439 381 HE ARG 49 HE ARG 49 0.866 -0.933 -32.204 382 HH11 ARG 49 1HH1 ARG 49 -0.803 -3.987 -32.099 383 HH12 ARG 49 2HH1 ARG 49 -2.229 -3.331 -31.365 384 HH21 ARG 49 2HH2 ARG 49 -2.344 -1.095 -30.877 385 HH22 ARG 49 1HH2 ARG 49 -1.006 -0.057 -31.238 386 H ASP 50 H ASP 50 4.194 -2.371 -31.142 387 HA ASP 50 HA ASP 50 4.661 -0.905 -33.653 388 HB2 ASP 50 2HB ASP 50 2.746 -0.532 -31.586 389 HB3 ASP 50 3HB ASP 50 3.850 0.840 -31.539 390 H SER 51 H SER 51 6.504 -2.149 -31.472 391 HA SER 51 HA SER 51 8.616 -1.705 -30.737 392 HB2 SER 51 2HB SER 51 8.607 -0.328 -32.974 393 HB3 SER 51 3HB SER 51 8.547 1.061 -31.890 394 HG SER 51 HG SER 51 10.698 0.171 -32.568 395 H LEU 52 H LEU 52 7.094 -1.607 -28.757 396 HA LEU 52 HA LEU 52 6.750 -0.770 -26.671 397 HB2 LEU 52 2HB LEU 52 9.136 0.590 -27.628 398 HB3 LEU 52 3HB LEU 52 8.234 1.549 -26.457 399 HG LEU 52 HG LEU 52 8.358 -0.376 -24.881 400 HD11 LEU 52 1HD1 LEU 52 9.308 -2.344 -25.389 401 HD12 LEU 52 2HD1 LEU 52 10.583 -1.599 -26.354 402 HD13 LEU 52 3HD1 LEU 52 8.987 -1.864 -27.056 403 HD21 LEU 52 3HD2 LEU 52 10.206 0.534 -24.023 404 HD22 LEU 52 1HD2 LEU 52 10.237 1.552 -25.463 405 HD23 LEU 52 2HD2 LEU 52 11.185 0.065 -25.414 406 H THR 53 H THR 53 4.601 -0.254 -27.480 407 HA THR 53 HA THR 53 4.112 2.555 -28.108 408 HB THR 53 HB THR 53 1.786 0.769 -27.862 409 HG1 THR 53 HG1 THR 53 2.366 -0.653 -29.353 410 HG21 THR 53 3HG2 THR 53 2.814 2.880 -29.698 411 HG22 THR 53 1HG2 THR 53 1.252 2.753 -28.890 412 HG23 THR 53 2HG2 THR 53 1.598 1.754 -30.302 413 H LEU 54 H LEU 54 5.015 2.101 -25.503 414 HA LEU 54 HA LEU 54 3.111 1.736 -23.531 415 HB2 LEU 54 2HB LEU 54 5.509 3.557 -23.582 416 HB3 LEU 54 3HB LEU 54 4.561 3.228 -22.133 417 HG LEU 54 HG LEU 54 5.349 0.739 -23.265 418 HD11 LEU 54 1HD1 LEU 54 7.120 2.026 -24.389 419 HD12 LEU 54 2HD1 LEU 54 7.759 0.915 -23.179 420 HD13 LEU 54 3HD1 LEU 54 7.648 2.638 -22.822 421 HD21 LEU 54 3HD2 LEU 54 5.700 2.264 -20.746 422 HD22 LEU 54 1HD2 LEU 54 6.776 0.896 -21.029 423 HD23 LEU 54 2HD2 LEU 54 5.029 0.655 -21.016 424 H SER 55 H SER 55 1.314 2.782 -23.022 425 HA SER 55 HA SER 55 0.910 5.493 -24.064 426 HB2 SER 55 2HB SER 55 -0.737 3.246 -24.049 427 HB3 SER 55 3HB SER 55 -1.409 4.281 -22.789 428 HG SER 55 HG SER 55 -2.220 4.672 -24.958 429 H ALA 56 H ALA 56 1.133 7.160 -22.744 430 HA ALA 56 HA ALA 56 0.781 6.725 -19.850 431 HB1 ALA 56 1HB ALA 56 2.257 9.121 -20.529 432 HB2 ALA 56 2HB ALA 56 2.696 7.790 -19.458 433 HB3 ALA 56 3HB ALA 56 3.014 7.671 -21.189 434 H ALA 57 H ALA 57 -0.817 7.789 -18.882 435 HA ALA 57 HA ALA 57 -1.659 10.401 -19.791 436 HB1 ALA 57 1HB ALA 57 -4.058 8.847 -19.575 437 HB2 ALA 57 2HB ALA 57 -3.482 9.832 -20.921 438 HB3 ALA 57 3HB ALA 57 -2.992 8.142 -20.791 439 H ASN 58 H ASN 58 -2.733 11.569 -18.222 440 HA ASN 58 HA ASN 58 -3.018 10.226 -15.614 441 HB2 ASN 58 2HB ASN 58 -2.490 12.377 -14.564 442 HB3 ASN 58 3HB ASN 58 -1.193 11.875 -15.645 443 HD21 ASN 58 2HD2 ASN 58 -2.076 15.488 -16.103 444 HD22 ASN 58 1HD2 ASN 58 -1.736 14.517 -14.715 445 H SER 59 H SER 59 -5.124 9.826 -15.339 446 HA SER 59 HA SER 59 -7.380 10.110 -15.210 447 HB2 SER 59 2HB SER 59 -6.204 12.180 -13.836 448 HB3 SER 59 3HB SER 59 -7.301 13.031 -14.924 449 HG SER 59 HG SER 59 -7.900 11.771 -12.685 450 H GLU 60 H GLU 60 -6.151 10.312 -17.833 451 HA GLU 60 HA GLU 60 -8.112 12.061 -19.168 452 HB2 GLU 60 2HB GLU 60 -5.482 12.392 -19.388 453 HB3 GLU 60 3HB GLU 60 -5.671 11.139 -20.606 454 HG2 GLU 60 2HG GLU 60 -6.646 12.526 -22.062 455 HG3 GLU 60 3HG GLU 60 -7.612 13.315 -20.816 456 H ASP 61 H ASP 61 -6.709 8.889 -18.954 457 HA ASP 61 HA ASP 61 -8.273 7.941 -21.238 458 HB2 ASP 61 2HB ASP 61 -5.867 7.274 -20.978 459 HB3 ASP 61 3HB ASP 61 -6.324 6.387 -19.527 460 H GLU 62 H GLU 62 -10.328 7.503 -20.760 461 HA GLU 62 HA GLU 62 -10.901 5.567 -18.683 462 HB2 GLU 62 2HB GLU 62 -11.372 8.384 -18.295 463 HB3 GLU 62 3HB GLU 62 -12.898 7.511 -18.298 464 HG2 GLU 62 2HG GLU 62 -11.962 5.978 -16.587 465 HG3 GLU 62 3HG GLU 62 -10.524 6.995 -16.525 466 H GLY 63 H GLY 63 -11.084 6.026 -21.684 467 HA2 GLY 63 2HA GLY 63 -13.823 6.158 -22.396 468 HA3 GLY 63 3HA GLY 63 -12.526 5.532 -23.403 469 H GLN 64 H GLN 64 -12.126 3.334 -23.469 470 HA GLN 64 HA GLN 64 -14.072 1.648 -22.037 471 HB2 GLN 64 2HB GLN 64 -13.231 1.654 -24.899 472 HB3 GLN 64 3HB GLN 64 -13.626 0.113 -24.149 473 HG2 GLN 64 2HG GLN 64 -15.727 0.545 -24.713 474 HG3 GLN 64 3HG GLN 64 -15.722 1.716 -23.395 475 HE21 GLN 64 2HE2 GLN 64 -16.149 2.911 -27.181 476 HE22 GLN 64 1HE2 GLN 64 -16.144 1.256 -26.686 477 H ILE 65 H ILE 65 -13.208 0.164 -20.751 478 HA ILE 65 HA ILE 65 -10.620 -1.013 -21.420 479 HB ILE 65 HB ILE 65 -9.991 0.810 -19.967 480 HG12 ILE 65 2HG1 ILE 65 -9.882 -1.403 -18.002 481 HG13 ILE 65 3HG1 ILE 65 -9.261 -1.769 -19.608 482 HG21 ILE 65 1HG2 ILE 65 -10.885 1.103 -17.746 483 HG22 ILE 65 2HG2 ILE 65 -12.204 1.121 -18.916 484 HG23 ILE 65 3HG2 ILE 65 -11.913 -0.317 -17.937 485 HD11 ILE 65 3HD1 ILE 65 -7.999 -0.381 -17.487 486 HD12 ILE 65 1HD1 ILE 65 -7.359 -0.786 -19.079 487 HD13 ILE 65 2HD1 ILE 65 -8.211 0.739 -18.832 488 H ARG 66 H ARG 66 -10.335 -3.087 -20.671 489 HA ARG 66 HA ARG 66 -12.551 -4.240 -19.111 490 HB2 ARG 66 2HB ARG 66 -11.609 -4.938 -21.774 491 HB3 ARG 66 3HB ARG 66 -11.569 -6.315 -20.681 492 HG2 ARG 66 2HG ARG 66 -13.984 -4.576 -21.135 493 HG3 ARG 66 3HG ARG 66 -13.677 -6.105 -21.962 494 HD2 ARG 66 2HD ARG 66 -14.136 -7.351 -20.119 495 HD3 ARG 66 3HD ARG 66 -13.528 -6.125 -19.007 496 HE ARG 66 HE ARG 66 -15.795 -5.021 -20.024 497 HH11 ARG 66 1HH1 ARG 66 -15.051 -8.034 -18.446 498 HH12 ARG 66 2HH1 ARG 66 -16.620 -8.196 -17.728 499 HH21 ARG 66 2HH2 ARG 66 -18.219 -6.597 -18.094 500 HH22 ARG 66 1HH2 ARG 66 -17.864 -5.223 -19.085 501 H TYR 67 H TYR 67 -12.029 -5.893 -17.674 502 HA TYR 67 HA TYR 67 -9.257 -5.884 -16.804 503 HB2 TYR 67 2HB TYR 67 -11.601 -7.309 -15.536 504 HB3 TYR 67 3HB TYR 67 -10.052 -6.930 -14.790 505 HD1 TYR 67 HD1 TYR 67 -9.508 -4.592 -14.188 506 HD2 TYR 67 HD2 TYR 67 -13.348 -5.682 -15.659 507 HE1 TYR 67 HE1 TYR 67 -10.425 -2.468 -13.352 508 HE2 TYR 67 HE2 TYR 67 -14.276 -3.562 -14.828 509 HH TYR 67 HH TYR 67 -12.288 -0.995 -13.720 510 H PHE 68 H PHE 68 -7.850 -7.370 -17.424 511 HA PHE 68 HA PHE 68 -8.864 -9.977 -18.345 512 HB2 PHE 68 2HB PHE 68 -7.278 -8.155 -19.703 513 HB3 PHE 68 3HB PHE 68 -6.121 -9.343 -19.112 514 HD1 PHE 68 HD1 PHE 68 -5.571 -10.917 -20.674 515 HD2 PHE 68 HD2 PHE 68 -9.571 -9.467 -20.539 516 HE1 PHE 68 HE1 PHE 68 -6.177 -12.426 -22.521 517 HE2 PHE 68 HE2 PHE 68 -10.183 -10.974 -22.385 518 HZ PHE 68 HZ PHE 68 -8.486 -12.457 -23.378 519 H LEU 69 H LEU 69 -7.912 -11.856 -17.619 520 HA LEU 69 HA LEU 69 -5.534 -12.041 -16.154 521 HB2 LEU 69 2HB LEU 69 -7.778 -11.086 -14.656 522 HB3 LEU 69 3HB LEU 69 -7.315 -12.680 -14.064 523 HG LEU 69 HG LEU 69 -5.221 -10.577 -14.399 524 HD11 LEU 69 1HD1 LEU 69 -5.658 -9.620 -12.285 525 HD12 LEU 69 2HD1 LEU 69 -6.898 -10.818 -11.915 526 HD13 LEU 69 3HD1 LEU 69 -7.191 -9.601 -13.157 527 HD21 LEU 69 3HD2 LEU 69 -3.961 -12.046 -13.304 528 HD22 LEU 69 1HD2 LEU 69 -5.276 -13.206 -13.493 529 HD23 LEU 69 2HD2 LEU 69 -5.166 -12.228 -12.029 530 HA PRO 70 HA PRO 70 -8.012 -16.144 -15.603 531 HB2 PRO 70 2HB PRO 70 -10.625 -16.144 -16.341 532 HB3 PRO 70 3HB PRO 70 -10.087 -15.725 -14.710 533 HG2 PRO 70 2HG PRO 70 -10.844 -13.921 -16.976 534 HG3 PRO 70 3HG PRO 70 -11.262 -13.794 -15.257 535 HD2 PRO 70 2HD PRO 70 -9.286 -12.328 -16.388 536 HD3 PRO 70 3HD PRO 70 -9.223 -12.874 -14.700 537 H ASP 71 H ASP 71 -8.208 -14.062 -18.296 538 HA ASP 71 HA ASP 71 -8.209 -14.377 -20.554 539 HB2 ASP 71 2HB ASP 71 -7.033 -17.100 -20.124 540 HB3 ASP 71 3HB ASP 71 -6.622 -15.888 -21.335 541 H ARG 72 H ARG 72 -10.590 -15.210 -19.173 542 HA ARG 72 HA ARG 72 -11.538 -17.259 -21.064 543 HB2 ARG 72 2HB ARG 72 -12.897 -18.267 -19.395 544 HB3 ARG 72 3HB ARG 72 -11.295 -18.090 -18.691 545 HG2 ARG 72 2HG ARG 72 -12.156 -15.939 -17.651 546 HG3 ARG 72 3HG ARG 72 -13.765 -16.490 -18.120 547 HD2 ARG 72 2HD ARG 72 -12.022 -18.396 -16.658 548 HD3 ARG 72 3HD ARG 72 -12.705 -17.049 -15.748 549 HE ARG 72 HE ARG 72 -14.834 -18.093 -17.083 550 HH11 ARG 72 1HH1 ARG 72 -12.424 -19.395 -14.935 551 HH12 ARG 72 2HH1 ARG 72 -13.470 -20.617 -14.292 552 HH21 ARG 72 2HH2 ARG 72 -15.629 -20.789 -15.037 553 HH22 ARG 72 1HH2 ARG 72 -16.221 -19.698 -16.244 554 H ASP 73 H ASP 73 -11.595 -14.242 -20.974 555 HA ASP 73 HA ASP 73 -14.466 -13.730 -20.793 556 HB2 ASP 73 2HB ASP 73 -12.748 -12.160 -19.789 557 HB3 ASP 73 3HB ASP 73 -12.288 -11.740 -21.436 558 H GLU 74 H GLU 74 -13.485 -15.426 -22.896 559 HA GLU 74 HA GLU 74 -13.749 -15.772 -25.128 560 HB2 GLU 74 2HB GLU 74 -15.404 -13.247 -25.112 561 HB3 GLU 74 3HB GLU 74 -15.493 -14.573 -26.263 562 HG2 GLU 74 2HG GLU 74 -16.130 -16.020 -24.247 563 HG3 GLU 74 3HG GLU 74 -16.422 -14.492 -23.419 564 H GLY 75 H GLY 75 -11.405 -14.504 -24.416 565 HA2 GLY 75 2HA GLY 75 -10.934 -12.856 -26.808 566 HA3 GLY 75 3HA GLY 75 -10.380 -12.284 -25.242 567 H MET 76 H MET 76 -9.558 -14.822 -24.220 568 HA MET 76 HA MET 76 -6.912 -14.903 -24.986 569 HB2 MET 76 2HB MET 76 -7.809 -15.953 -22.939 570 HB3 MET 76 3HB MET 76 -8.549 -17.210 -23.920 571 HG2 MET 76 2HG MET 76 -6.510 -18.023 -22.931 572 HG3 MET 76 3HG MET 76 -6.330 -17.911 -24.680 573 HE1 MET 76 3HE MET 76 -3.388 -17.379 -22.124 574 HE2 MET 76 1HE MET 76 -4.198 -18.538 -23.178 575 HE3 MET 76 2HE MET 76 -2.924 -17.502 -23.822 576 H MET 77 H MET 77 -9.669 -16.442 -26.461 577 HA MET 77 HA MET 77 -8.325 -18.370 -28.006 578 HB2 MET 77 2HB MET 77 -10.352 -18.362 -29.416 579 HB3 MET 77 3HB MET 77 -10.731 -18.452 -27.701 580 HG2 MET 77 2HG MET 77 -11.169 -16.013 -27.723 581 HG3 MET 77 3HG MET 77 -10.920 -16.026 -29.468 582 HE1 MET 77 3HE MET 77 -14.490 -15.442 -29.721 583 HE2 MET 77 1HE MET 77 -14.210 -15.225 -27.993 584 HE3 MET 77 2HE MET 77 -12.991 -14.703 -29.156 585 H GLU 78 H GLU 78 -9.112 -14.981 -28.623 586 HA GLU 78 HA GLU 78 -7.869 -15.096 -31.252 587 HB2 GLU 78 2HB GLU 78 -9.825 -13.435 -29.982 588 HB3 GLU 78 3HB GLU 78 -8.498 -12.424 -30.538 589 HG2 GLU 78 2HG GLU 78 -8.917 -12.829 -32.730 590 HG3 GLU 78 3HG GLU 78 -9.549 -14.446 -32.426 591 H GLU 79 H GLU 79 -7.078 -14.245 -28.022 592 HA GLU 79 HA GLU 79 -4.696 -12.768 -28.899 593 HB2 GLU 79 2HB GLU 79 -5.844 -13.044 -26.116 594 HB3 GLU 79 3HB GLU 79 -4.503 -12.010 -26.589 595 HG2 GLU 79 2HG GLU 79 -7.413 -11.715 -27.213 596 HG3 GLU 79 3HG GLU 79 -6.319 -10.567 -26.444 597 H GLY 80 H GLY 80 -5.203 -15.773 -28.874 598 HA2 GLY 80 2HA GLY 80 -2.582 -16.479 -27.886 599 HA3 GLY 80 3HA GLY 80 -3.902 -17.200 -26.977 600 H LYS 81 H LYS 81 -5.681 -17.586 -29.164 601 HA LYS 81 HA LYS 81 -4.325 -19.845 -30.455 602 HB2 LYS 81 2HB LYS 81 -6.694 -19.771 -29.105 603 HB3 LYS 81 3HB LYS 81 -7.243 -19.582 -30.765 604 HG2 LYS 81 2HG LYS 81 -7.288 -21.853 -30.568 605 HG3 LYS 81 3HG LYS 81 -5.652 -21.624 -31.191 606 HD2 LYS 81 2HD LYS 81 -5.281 -23.062 -29.425 607 HD3 LYS 81 3HD LYS 81 -5.013 -21.492 -28.664 608 HE2 LYS 81 2HE LYS 81 -7.695 -21.821 -28.319 609 HE3 LYS 81 3HE LYS 81 -7.119 -23.484 -28.207 610 HZ1 LYS 81 3HZ LYS 81 -5.567 -21.553 -26.714 611 HZ2 LYS 81 1HZ LYS 81 -6.111 -23.090 -26.261 612 HZ3 LYS 81 2HZ LYS 81 -7.153 -21.761 -26.161 613 H LEU 82 H LEU 82 -4.317 -16.915 -31.264 614 HA LEU 82 HA LEU 82 -5.102 -17.376 -34.061 615 HB2 LEU 82 2HB LEU 82 -6.659 -15.852 -32.726 616 HB3 LEU 82 3HB LEU 82 -5.328 -14.696 -32.724 617 HG LEU 82 HG LEU 82 -5.393 -14.693 -35.205 618 HD11 LEU 82 1HD1 LEU 82 -7.864 -16.370 -34.797 619 HD12 LEU 82 2HD1 LEU 82 -6.367 -16.880 -35.576 620 HD13 LEU 82 3HD1 LEU 82 -7.366 -15.633 -36.321 621 HD21 LEU 82 3HD2 LEU 82 -6.933 -13.038 -35.234 622 HD22 LEU 82 1HD2 LEU 82 -6.873 -13.264 -33.485 623 HD23 LEU 82 2HD2 LEU 82 -8.161 -14.015 -34.427 624 H ASP 83 H ASP 83 -3.343 -15.025 -32.030 625 HA ASP 83 HA ASP 83 -1.179 -15.075 -34.031 626 HB2 ASP 83 2HB ASP 83 -1.573 -12.775 -32.148 627 HB3 ASP 83 3HB ASP 83 -0.795 -12.799 -33.729 628 H ALA 84 H ALA 84 0.724 -15.814 -33.366 629 HA ALA 84 HA ALA 84 1.161 -16.890 -30.831 630 HB1 ALA 84 1HB ALA 84 2.587 -16.695 -33.275 631 HB2 ALA 84 2HB ALA 84 3.674 -16.220 -31.970 632 HB3 ALA 84 3HB ALA 84 2.870 -17.789 -31.921 633 H SER 85 H SER 85 1.680 -13.669 -32.054 634 HA SER 85 HA SER 85 3.469 -12.744 -30.082 635 HB2 SER 85 2HB SER 85 2.262 -11.673 -32.349 636 HB3 SER 85 3HB SER 85 1.622 -10.698 -31.026 637 HG SER 85 HG SER 85 3.899 -10.355 -32.149 638 H CYS 86 H CYS 86 -0.060 -12.813 -30.243 639 HA CYS 86 HA CYS 86 -0.513 -11.348 -27.865 640 HB2 CYS 86 2HB CYS 86 -2.276 -13.381 -29.250 641 HB3 CYS 86 3HB CYS 86 -2.802 -12.277 -27.985 642 HG CYS 86 HG CYS 86 -3.713 -11.433 -30.538 643 H ALA 87 H ALA 87 -0.374 -14.831 -28.536 644 HA ALA 87 HA ALA 87 -0.975 -15.721 -25.945 645 HB1 ALA 87 1HB ALA 87 -0.945 -17.652 -27.033 646 HB2 ALA 87 2HB ALA 87 -0.166 -16.884 -28.417 647 HB3 ALA 87 3HB ALA 87 0.815 -17.565 -27.119 648 H VAL 88 H VAL 88 2.108 -14.897 -27.472 649 HA VAL 88 HA VAL 88 3.756 -15.732 -25.327 650 HB VAL 88 HB VAL 88 4.265 -13.715 -27.516 651 HG11 VAL 88 1HG1 VAL 88 6.689 -14.143 -26.923 652 HG12 VAL 88 2HG1 VAL 88 5.772 -13.157 -25.782 653 HG13 VAL 88 3HG1 VAL 88 6.099 -14.852 -25.420 654 HG21 VAL 88 3HG2 VAL 88 5.607 -16.355 -27.404 655 HG22 VAL 88 1HG2 VAL 88 3.900 -16.334 -27.845 656 HG23 VAL 88 2HG2 VAL 88 5.067 -15.415 -28.795 657 H ALA 89 H ALA 89 2.372 -12.588 -26.209 658 HA ALA 89 HA ALA 89 3.594 -11.052 -24.215 659 HB1 ALA 89 1HB ALA 89 2.329 -10.190 -26.199 660 HB2 ALA 89 2HB ALA 89 0.840 -10.578 -25.337 661 HB3 ALA 89 3HB ALA 89 1.957 -9.385 -24.674 662 H ILE 90 H ILE 90 0.506 -12.803 -24.200 663 HA ILE 90 HA ILE 90 -0.289 -11.999 -21.612 664 HB ILE 90 HB ILE 90 -1.053 -14.473 -23.167 665 HG12 ILE 90 2HG1 ILE 90 -2.627 -11.923 -22.802 666 HG13 ILE 90 3HG1 ILE 90 -1.552 -12.188 -24.170 667 HG21 ILE 90 1HG2 ILE 90 -3.154 -14.004 -21.555 668 HG22 ILE 90 2HG2 ILE 90 -1.839 -15.105 -21.148 669 HG23 ILE 90 3HG2 ILE 90 -1.840 -13.461 -20.512 670 HD11 ILE 90 3HD1 ILE 90 -4.191 -13.366 -23.570 671 HD12 ILE 90 1HD1 ILE 90 -3.484 -12.880 -25.111 672 HD13 ILE 90 2HD1 ILE 90 -3.007 -14.405 -24.362 673 H GLU 91 H GLU 91 1.335 -14.941 -22.779 674 HA GLU 91 HA GLU 91 1.523 -16.277 -20.342 675 HB2 GLU 91 2HB GLU 91 2.218 -16.905 -22.852 676 HB3 GLU 91 3HB GLU 91 3.810 -16.500 -22.225 677 HG2 GLU 91 2HG GLU 91 3.899 -18.311 -20.882 678 HG3 GLU 91 3HG GLU 91 2.165 -18.299 -20.563 679 H GLU 92 H GLU 92 3.565 -13.776 -21.742 680 HA GLU 92 HA GLU 92 5.626 -13.961 -19.783 681 HB2 GLU 92 2HB GLU 92 5.780 -12.928 -22.117 682 HB3 GLU 92 3HB GLU 92 4.986 -11.519 -21.427 683 HG2 GLU 92 2HG GLU 92 7.111 -10.848 -21.122 684 HG3 GLU 92 3HG GLU 92 6.953 -11.801 -19.648 685 H ALA 93 H ALA 93 2.798 -11.867 -20.193 686 HA ALA 93 HA ALA 93 3.257 -10.138 -18.047 687 HB1 ALA 93 1HB ALA 93 0.486 -10.456 -18.209 688 HB2 ALA 93 2HB ALA 93 1.473 -9.231 -19.009 689 HB3 ALA 93 3HB ALA 93 1.090 -10.738 -19.843 690 H ILE 94 H ILE 94 1.559 -13.247 -18.165 691 HA ILE 94 HA ILE 94 0.817 -13.191 -15.403 692 HB ILE 94 HB ILE 94 0.169 -15.536 -15.720 693 HG12 ILE 94 2HG1 ILE 94 1.397 -15.185 -18.462 694 HG13 ILE 94 3HG1 ILE 94 1.968 -16.261 -17.191 695 HG21 ILE 94 1HG2 ILE 94 -1.722 -14.979 -16.810 696 HG22 ILE 94 2HG2 ILE 94 -1.034 -13.358 -16.758 697 HG23 ILE 94 3HG2 ILE 94 -0.856 -14.344 -18.208 698 HD11 ILE 94 3HD1 ILE 94 -0.301 -16.558 -19.057 699 HD12 ILE 94 1HD1 ILE 94 0.823 -17.763 -18.428 700 HD13 ILE 94 2HD1 ILE 94 -0.511 -17.192 -17.425 701 H GLN 95 H GLN 95 3.496 -14.515 -17.248 702 HA GLN 95 HA GLN 95 4.571 -16.148 -15.209 703 HB2 GLN 95 2HB GLN 95 5.164 -16.338 -17.610 704 HB3 GLN 95 3HB GLN 95 6.025 -14.809 -17.495 705 HG2 GLN 95 2HG GLN 95 7.573 -15.774 -15.896 706 HG3 GLN 95 3HG GLN 95 6.690 -17.300 -15.942 707 HE21 GLN 95 2HE2 GLN 95 9.715 -17.048 -18.292 708 HE22 GLN 95 1HE2 GLN 95 9.488 -16.392 -16.710 709 H LEU 96 H LEU 96 4.838 -12.745 -15.930 710 HA LEU 96 HA LEU 96 7.015 -12.336 -14.065 711 HB2 LEU 96 2HB LEU 96 5.335 -10.438 -15.690 712 HB3 LEU 96 3HB LEU 96 6.619 -9.917 -14.600 713 HG LEU 96 HG LEU 96 7.009 -11.677 -17.020 714 HD11 LEU 96 1HD1 LEU 96 7.679 -9.836 -18.227 715 HD12 LEU 96 2HD1 LEU 96 7.995 -8.870 -16.785 716 HD13 LEU 96 3HD1 LEU 96 6.335 -9.176 -17.295 717 HD21 LEU 96 3HD2 LEU 96 9.427 -10.628 -16.404 718 HD22 LEU 96 1HD2 LEU 96 8.868 -12.216 -15.877 719 HD23 LEU 96 2HD2 LEU 96 8.733 -10.829 -14.795 720 H TYR 97 H TYR 97 3.557 -11.581 -14.261 721 HA TYR 97 HA TYR 97 3.334 -10.164 -11.861 722 HB2 TYR 97 2HB TYR 97 1.540 -10.156 -13.489 723 HB3 TYR 97 3HB TYR 97 1.305 -11.889 -13.294 724 HD1 TYR 97 HD1 TYR 97 1.712 -9.179 -10.759 725 HD2 TYR 97 HD2 TYR 97 -0.809 -12.192 -12.393 726 HE1 TYR 97 HE1 TYR 97 0.062 -8.749 -8.988 727 HE2 TYR 97 HE2 TYR 97 -2.468 -11.770 -10.627 728 HH TYR 97 HH TYR 97 -3.037 -9.659 -9.103 729 H GLU 98 H GLU 98 3.049 -13.632 -12.526 730 HA GLU 98 HA GLU 98 2.451 -14.304 -9.804 731 HB2 GLU 98 2HB GLU 98 2.932 -15.795 -12.329 732 HB3 GLU 98 3HB GLU 98 3.210 -16.661 -10.825 733 HG2 GLU 98 2HG GLU 98 0.926 -16.123 -10.109 734 HG3 GLU 98 3HG GLU 98 0.652 -15.304 -11.647 735 H GLU 99 H GLU 99 5.304 -13.655 -11.567 736 HA GLU 99 HA GLU 99 7.052 -15.190 -9.848 737 HB2 GLU 99 2HB GLU 99 7.716 -14.957 -12.145 738 HB3 GLU 99 3HB GLU 99 7.589 -13.206 -12.059 739 HG2 GLU 99 2HG GLU 99 9.909 -13.961 -12.022 740 HG3 GLU 99 3HG GLU 99 9.469 -13.108 -10.543 741 H GLN 100 H GLN 100 5.843 -11.936 -10.081 742 HA GLN 100 HA GLN 100 7.706 -11.013 -8.021 743 HB2 GLN 100 2HB GLN 100 6.205 -9.744 -10.175 744 HB3 GLN 100 3HB GLN 100 6.043 -8.887 -8.648 745 HG2 GLN 100 2HG GLN 100 8.766 -9.516 -8.914 746 HG3 GLN 100 3HG GLN 100 8.232 -8.921 -10.485 747 HE21 GLN 100 2HE2 GLN 100 7.472 -5.659 -9.315 748 HE22 GLN 100 1HE2 GLN 100 6.986 -6.874 -10.443 749 H LEU 101 H LEU 101 4.343 -11.761 -8.557 750 HA LEU 101 HA LEU 101 3.114 -10.493 -6.437 751 HB2 LEU 101 2HB LEU 101 1.833 -11.680 -8.073 752 HB3 LEU 101 3HB LEU 101 2.590 -13.209 -7.628 753 HG LEU 101 HG LEU 101 1.436 -13.181 -5.487 754 HD11 LEU 101 1HD1 LEU 101 1.072 -11.077 -4.737 755 HD12 LEU 101 2HD1 LEU 101 -0.499 -11.342 -5.492 756 HD13 LEU 101 3HD1 LEU 101 0.748 -10.437 -6.349 757 HD21 LEU 101 3HD2 LEU 101 0.211 -13.417 -8.042 758 HD22 LEU 101 1HD2 LEU 101 -0.959 -12.711 -6.927 759 HD23 LEU 101 2HD2 LEU 101 -0.193 -14.253 -6.541 760 H LYS 102 H LYS 102 4.711 -13.669 -6.445 761 HA LYS 102 HA LYS 102 4.265 -14.166 -3.680 762 HB2 LYS 102 2HB LYS 102 5.282 -15.596 -5.879 763 HB3 LYS 102 3HB LYS 102 6.587 -15.542 -4.702 764 HG2 LYS 102 2HG LYS 102 5.611 -17.315 -3.781 765 HG3 LYS 102 3HG LYS 102 4.414 -16.179 -3.155 766 HD2 LYS 102 2HD LYS 102 3.254 -17.979 -4.236 767 HD3 LYS 102 3HD LYS 102 3.088 -16.534 -5.236 768 HE2 LYS 102 2HE LYS 102 4.507 -17.341 -6.868 769 HE3 LYS 102 3HE LYS 102 5.328 -18.438 -5.758 770 HZ1 LYS 102 3HZ LYS 102 2.761 -18.783 -7.148 771 HZ2 LYS 102 1HZ LYS 102 3.018 -19.579 -5.677 772 HZ3 LYS 102 2HZ LYS 102 4.047 -19.870 -6.987 773 H ALA 103 H ALA 103 6.698 -12.458 -5.474 774 HA ALA 103 HA ALA 103 8.764 -12.464 -3.559 775 HB1 ALA 103 1HB ALA 103 9.712 -10.634 -4.796 776 HB2 ALA 103 2HB ALA 103 9.028 -11.795 -5.934 777 HB3 ALA 103 3HB ALA 103 8.163 -10.302 -5.572 778 H GLN 104 H GLN 104 5.962 -10.372 -4.017 779 HA GLN 104 HA GLN 104 6.737 -8.812 -1.657 780 HB2 GLN 104 2HB GLN 104 4.928 -7.263 -2.366 781 HB3 GLN 104 3HB GLN 104 6.185 -7.464 -3.579 782 HG2 GLN 104 2HG GLN 104 4.769 -8.310 -5.076 783 HG3 GLN 104 3HG GLN 104 3.975 -9.338 -3.884 784 HE21 GLN 104 2HE2 GLN 104 2.588 -5.538 -4.520 785 HE22 GLN 104 1HE2 GLN 104 4.245 -5.928 -4.815 786 H ALA 105 H ALA 105 5.527 -11.596 -1.770 787 HA ALA 105 HA ALA 105 3.191 -11.041 -0.058 788 HB1 ALA 105 1HB ALA 105 3.671 -13.451 -1.807 789 HB2 ALA 105 2HB ALA 105 2.283 -13.207 -0.745 790 HB3 ALA 105 3HB ALA 105 2.533 -12.142 -2.128 791 H GLY 106 H GLY 106 6.106 -11.333 0.594 792 HA2 GLY 106 2HA GLY 106 6.717 -12.054 2.843 793 HA3 GLY 106 3HA GLY 106 5.791 -13.519 2.554 794 H GLY 107 H GLY 107 6.889 -13.711 -0.217 795 HA2 GLY 107 2HA GLY 107 8.953 -14.229 -1.262 796 HA3 GLY 107 3HA GLY 107 9.712 -14.284 0.322 797 H THR 108 H THR 108 7.064 -15.957 -1.387 798 HA THR 108 HA THR 108 6.602 -18.171 -1.658 799 HB THR 108 HB THR 108 9.299 -18.965 -0.628 800 HG1 THR 108 HG1 THR 108 9.866 -18.554 -3.006 801 HG21 THR 108 3HG2 THR 108 9.126 -20.702 -2.248 802 HG22 THR 108 1HG2 THR 108 7.763 -19.915 -3.042 803 HG23 THR 108 2HG2 THR 108 7.565 -20.611 -1.434 804 H ASN 109 H ASN 109 5.368 -17.411 0.409 805 HA ASN 109 HA ASN 109 4.549 -17.890 2.480 806 HB2 ASN 109 2HB ASN 109 5.800 -20.614 2.205 807 HB3 ASN 109 3HB ASN 109 4.281 -20.176 2.981 808 HD21 ASN 109 2HD2 ASN 109 3.831 -21.749 -0.426 809 HD22 ASN 109 1HD2 ASN 109 4.849 -22.157 0.909 810 H GLU 110 H GLU 110 7.137 -16.683 2.414 811 HA GLU 110 HA GLU 110 8.870 -16.157 3.790 812 HB2 GLU 110 2HB GLU 110 6.687 -16.642 5.421 813 HB3 GLU 110 3HB GLU 110 7.955 -17.625 6.140 814 HG2 GLU 110 2HG GLU 110 8.968 -15.021 5.483 815 HG3 GLU 110 3HG GLU 110 7.517 -14.888 6.475 Start of MODEL 9 1 H1 MET 1 H MET 1 2.411 1.517 0.562 2 HA MET 1 HA MET 1 3.464 1.555 -1.612 3 HB2 MET 1 2HB MET 1 4.738 -0.571 -1.594 4 HB3 MET 1 3HB MET 1 4.682 0.205 -0.017 5 HG2 MET 1 2HG MET 1 2.543 -1.737 -0.500 6 HG3 MET 1 3HG MET 1 4.169 -2.414 -0.480 7 HE1 MET 1 3HE MET 1 1.801 -3.114 2.047 8 HE2 MET 1 1HE MET 1 3.186 -3.868 1.258 9 HE3 MET 1 2HE MET 1 3.248 -3.497 2.981 10 H ILE 2 H ILE 2 0.820 1.380 -2.318 11 HA ILE 2 HA ILE 2 0.870 -0.730 -4.373 12 HB ILE 2 HB ILE 2 -1.652 -0.690 -4.254 13 HG12 ILE 2 2HG1 ILE 2 -1.455 0.294 -1.456 14 HG13 ILE 2 3HG1 ILE 2 -1.384 1.503 -2.733 15 HG21 ILE 2 1HG2 ILE 2 -0.520 -2.580 -3.387 16 HG22 ILE 2 2HG2 ILE 2 -0.010 -1.701 -1.946 17 HG23 ILE 2 3HG2 ILE 2 -1.710 -2.114 -2.172 18 HD11 ILE 2 3HD1 ILE 2 -3.652 0.271 -1.616 19 HD12 ILE 2 1HD1 ILE 2 -3.580 1.441 -2.933 20 HD13 ILE 2 2HD1 ILE 2 -3.526 -0.287 -3.284 21 HA PRO 3 HA PRO 3 0.549 3.484 -6.328 22 HB2 PRO 3 2HB PRO 3 2.485 3.038 -8.178 23 HB3 PRO 3 3HB PRO 3 2.829 3.654 -6.558 24 HG2 PRO 3 2HG PRO 3 3.063 0.862 -7.611 25 HG3 PRO 3 3HG PRO 3 4.178 1.761 -6.566 26 HD2 PRO 3 2HD PRO 3 2.441 -0.079 -5.602 27 HD3 PRO 3 3HD PRO 3 2.932 1.351 -4.671 28 H SER 4 H SER 4 -0.650 3.919 -8.115 29 HA SER 4 HA SER 4 -2.023 3.571 -9.895 30 HB2 SER 4 2HB SER 4 0.275 1.741 -10.481 31 HB3 SER 4 3HB SER 4 -1.154 1.690 -11.514 32 HG SER 4 HG SER 4 -0.810 4.115 -11.534 33 H PHE 5 H PHE 5 -2.534 2.162 -7.412 34 HA PHE 5 HA PHE 5 -3.815 0.490 -6.536 35 HB2 PHE 5 2HB PHE 5 -5.301 1.790 -8.317 36 HB3 PHE 5 3HB PHE 5 -5.282 0.222 -9.119 37 HD1 PHE 5 HD1 PHE 5 -6.197 -1.767 -7.951 38 HD2 PHE 5 HD2 PHE 5 -6.608 2.170 -6.387 39 HE1 PHE 5 HE1 PHE 5 -8.006 -2.545 -6.475 40 HE2 PHE 5 HE2 PHE 5 -8.416 1.398 -4.908 41 HZ PHE 5 HZ PHE 5 -9.116 -0.963 -4.950 42 H ALA 6 H ALA 6 -2.190 -1.094 -6.397 43 HA ALA 6 HA ALA 6 -1.287 -3.159 -6.711 44 HB1 ALA 6 1HB ALA 6 -3.827 -3.629 -6.906 45 HB2 ALA 6 2HB ALA 6 -3.481 -3.846 -8.623 46 HB3 ALA 6 3HB ALA 6 -2.679 -4.864 -7.427 47 HA PRO 7 HA PRO 7 0.636 -1.783 -10.669 48 HB2 PRO 7 2HB PRO 7 3.183 -2.004 -9.756 49 HB3 PRO 7 3HB PRO 7 2.195 -0.559 -9.507 50 HG2 PRO 7 2HG PRO 7 2.756 -2.817 -7.624 51 HG3 PRO 7 3HG PRO 7 2.723 -1.074 -7.302 52 HD2 PRO 7 2HD PRO 7 0.658 -2.711 -6.677 53 HD3 PRO 7 3HD PRO 7 0.423 -1.018 -7.156 54 H GLY 8 H GLY 8 0.989 -3.219 -12.242 55 HA2 GLY 8 2HA GLY 8 2.347 -5.048 -13.097 56 HA3 GLY 8 3HA GLY 8 2.199 -5.814 -11.522 57 H THR 9 H THR 9 -0.605 -4.306 -12.836 58 HA THR 9 HA THR 9 -1.786 -6.959 -13.264 59 HB THR 9 HB THR 9 -3.358 -4.400 -13.118 60 HG1 THR 9 HG1 THR 9 -3.362 -4.528 -10.924 61 HG21 THR 9 3HG2 THR 9 -3.972 -7.291 -12.508 62 HG22 THR 9 1HG2 THR 9 -4.584 -6.338 -13.858 63 HG23 THR 9 2HG2 THR 9 -5.080 -5.953 -12.210 64 H LEU 10 H LEU 10 -2.455 -7.608 -15.220 65 HA LEU 10 HA LEU 10 -2.050 -5.793 -17.472 66 HB2 LEU 10 2HB LEU 10 -1.065 -8.115 -17.388 67 HB3 LEU 10 3HB LEU 10 -2.707 -8.729 -17.564 68 HG LEU 10 HG LEU 10 -1.541 -6.851 -19.590 69 HD11 LEU 10 1HD1 LEU 10 -0.946 -9.738 -19.189 70 HD12 LEU 10 2HD1 LEU 10 0.089 -8.441 -19.785 71 HD13 LEU 10 3HD1 LEU 10 -1.147 -9.134 -20.834 72 HD21 LEU 10 3HD2 LEU 10 -3.209 -8.878 -20.654 73 HD22 LEU 10 1HD2 LEU 10 -3.520 -7.146 -20.543 74 HD23 LEU 10 2HD2 LEU 10 -4.010 -8.215 -19.229 75 H VAL 11 H VAL 11 -3.664 -4.943 -18.627 76 HA VAL 11 HA VAL 11 -6.356 -6.093 -18.362 77 HB VAL 11 HB VAL 11 -7.344 -3.861 -18.232 78 HG11 VAL 11 1HG1 VAL 11 -7.008 -3.537 -15.961 79 HG12 VAL 11 2HG1 VAL 11 -6.519 -5.217 -16.187 80 HG13 VAL 11 3HG1 VAL 11 -5.297 -3.952 -16.051 81 HG21 VAL 11 3HG2 VAL 11 -5.963 -2.335 -19.233 82 HG22 VAL 11 1HG2 VAL 11 -5.581 -2.026 -17.538 83 HG23 VAL 11 2HG2 VAL 11 -4.504 -3.021 -18.518 84 H TRP 12 H TRP 12 -7.819 -4.601 -19.975 85 HA TRP 12 HA TRP 12 -6.400 -4.659 -22.558 86 HB2 TRP 12 2HB TRP 12 -9.076 -5.681 -21.745 87 HB3 TRP 12 3HB TRP 12 -8.924 -4.994 -23.359 88 HD1 TRP 12 HD1 TRP 12 -6.059 -6.100 -24.132 89 HE1 TRP 12 HE1 TRP 12 -5.739 -8.615 -24.576 90 HE3 TRP 12 HE3 TRP 12 -10.136 -7.893 -21.621 91 HZ2 TRP 12 HZ2 TRP 12 -7.042 -11.038 -23.945 92 HZ3 TRP 12 HZ3 TRP 12 -10.528 -10.322 -21.591 93 HH2 TRP 12 HH2 TRP 12 -9.012 -11.860 -22.730 94 H LEU 13 H LEU 13 -6.486 -2.887 -23.813 95 HA LEU 13 HA LEU 13 -8.225 -0.681 -22.923 96 HB2 LEU 13 2HB LEU 13 -5.462 -0.741 -23.140 97 HB3 LEU 13 3HB LEU 13 -5.987 0.102 -24.596 98 HG LEU 13 HG LEU 13 -7.413 1.252 -22.461 99 HD11 LEU 13 1HD1 LEU 13 -5.727 1.941 -20.914 100 HD12 LEU 13 2HD1 LEU 13 -4.470 1.115 -21.834 101 HD13 LEU 13 3HD1 LEU 13 -5.707 0.179 -20.995 102 HD21 LEU 13 3HD2 LEU 13 -6.909 2.685 -24.165 103 HD22 LEU 13 1HD2 LEU 13 -5.277 2.047 -24.369 104 HD23 LEU 13 2HD2 LEU 13 -5.639 3.127 -23.022 105 H LYS 14 H LYS 14 -9.839 -0.283 -24.267 106 HA LYS 14 HA LYS 14 -9.513 -0.935 -27.116 107 HB2 LYS 14 2HB LYS 14 -11.399 -1.947 -25.666 108 HB3 LYS 14 3HB LYS 14 -12.140 -0.355 -25.772 109 HG2 LYS 14 2HG LYS 14 -12.249 -0.516 -28.174 110 HG3 LYS 14 3HG LYS 14 -11.379 -2.051 -28.141 111 HD2 LYS 14 2HD LYS 14 -13.262 -2.951 -26.724 112 HD3 LYS 14 3HD LYS 14 -14.142 -1.467 -27.093 113 HE2 LYS 14 2HE LYS 14 -13.114 -2.561 -29.518 114 HE3 LYS 14 3HE LYS 14 -13.955 -3.833 -28.635 115 HZ1 LYS 14 3HZ LYS 14 -15.291 -2.352 -30.221 116 HZ2 LYS 14 1HZ LYS 14 -15.198 -1.184 -29.001 117 HZ3 LYS 14 2HZ LYS 14 -15.941 -2.672 -28.692 118 H GLN 15 H GLN 15 -9.200 0.699 -28.464 119 HA GLN 15 HA GLN 15 -9.516 3.420 -27.623 120 HB2 GLN 15 2HB GLN 15 -8.116 2.036 -29.670 121 HB3 GLN 15 3HB GLN 15 -9.144 3.230 -30.450 122 HG2 GLN 15 2HG GLN 15 -7.279 4.481 -30.106 123 HG3 GLN 15 3HG GLN 15 -8.145 4.812 -28.606 124 HE21 GLN 15 2HE2 GLN 15 -4.688 4.061 -27.685 125 HE22 GLN 15 1HE2 GLN 15 -5.540 5.276 -28.570 126 H ASP 16 H ASP 16 -10.566 4.965 -29.336 127 HA ASP 16 HA ASP 16 -13.335 4.578 -29.226 128 HB2 ASP 16 2HB ASP 16 -11.558 6.630 -30.051 129 HB3 ASP 16 3HB ASP 16 -12.693 6.363 -31.372 130 H ARG 17 H ARG 17 -11.290 4.620 -32.153 131 HA ARG 17 HA ARG 17 -13.332 3.014 -33.516 132 HB2 ARG 17 2HB ARG 17 -11.615 5.172 -34.323 133 HB3 ARG 17 3HB ARG 17 -11.297 3.764 -35.327 134 HG2 ARG 17 2HG ARG 17 -14.093 4.720 -34.846 135 HG3 ARG 17 3HG ARG 17 -13.076 5.440 -36.096 136 HD2 ARG 17 2HD ARG 17 -13.149 2.500 -36.075 137 HD3 ARG 17 3HD ARG 17 -14.678 3.285 -36.470 138 HE ARG 17 HE ARG 17 -12.334 3.157 -38.105 139 HH11 ARG 17 1HH1 ARG 17 -15.163 5.044 -37.360 140 HH12 ARG 17 2HH1 ARG 17 -15.228 5.802 -38.916 141 HH21 ARG 17 2HH2 ARG 17 -13.661 5.291 -40.508 142 HH22 ARG 17 1HH2 ARG 17 -12.409 4.148 -40.159 143 H PHE 18 H PHE 18 -10.087 2.921 -32.322 144 HA PHE 18 HA PHE 18 -9.289 0.618 -33.849 145 HB2 PHE 18 2HB PHE 18 -8.044 2.479 -32.006 146 HB3 PHE 18 3HB PHE 18 -7.600 0.818 -31.629 147 HD1 PHE 18 HD1 PHE 18 -8.198 2.614 -34.843 148 HD2 PHE 18 HD2 PHE 18 -5.494 0.383 -32.428 149 HE1 PHE 18 HE1 PHE 18 -6.546 2.647 -36.667 150 HE2 PHE 18 HE2 PHE 18 -3.838 0.413 -34.247 151 HZ PHE 18 HZ PHE 18 -4.363 1.547 -36.370 152 HA PRO 19 HA PRO 19 -10.811 -2.621 -31.311 153 HB2 PRO 19 2HB PRO 19 -8.798 -4.436 -31.460 154 HB3 PRO 19 3HB PRO 19 -9.881 -4.089 -32.813 155 HG2 PRO 19 2HG PRO 19 -7.113 -3.073 -32.292 156 HG3 PRO 19 3HG PRO 19 -7.828 -3.644 -33.811 157 HD2 PRO 19 2HD PRO 19 -7.562 -1.014 -33.224 158 HD3 PRO 19 3HD PRO 19 -8.902 -1.643 -34.204 159 H TRP 20 H TRP 20 -9.730 -4.342 -29.622 160 HA TRP 20 HA TRP 20 -8.570 -2.636 -27.531 161 HB2 TRP 20 2HB TRP 20 -9.360 -4.503 -25.996 162 HB3 TRP 20 3HB TRP 20 -10.624 -3.568 -26.792 163 HD1 TRP 20 HD1 TRP 20 -12.099 -4.813 -28.636 164 HE1 TRP 20 HE1 TRP 20 -12.474 -7.307 -29.151 165 HE3 TRP 20 HE3 TRP 20 -8.176 -6.780 -26.014 166 HZ2 TRP 20 HZ2 TRP 20 -11.266 -9.781 -28.527 167 HZ3 TRP 20 HZ3 TRP 20 -7.856 -9.219 -26.023 168 HH2 TRP 20 HH2 TRP 20 -9.370 -10.687 -27.254 169 H TRP 21 H TRP 21 -6.549 -2.954 -26.872 170 HA TRP 21 HA TRP 21 -5.253 -5.517 -27.534 171 HB2 TRP 21 2HB TRP 21 -4.523 -2.850 -28.303 172 HB3 TRP 21 3HB TRP 21 -3.265 -3.519 -27.268 173 HD1 TRP 21 HD1 TRP 21 -1.461 -4.773 -28.562 174 HE1 TRP 21 HE1 TRP 21 -1.326 -6.041 -30.798 175 HE3 TRP 21 HE3 TRP 21 -6.342 -4.360 -30.025 176 HZ2 TRP 21 HZ2 TRP 21 -3.059 -6.769 -32.904 177 HZ3 TRP 21 HZ3 TRP 21 -7.022 -5.369 -32.164 178 HH2 TRP 21 HH2 TRP 21 -5.413 -6.548 -33.572 179 HA PRO 22 HA PRO 22 -4.261 -5.947 -23.277 180 HB2 PRO 22 2HB PRO 22 -1.964 -7.384 -23.449 181 HB3 PRO 22 3HB PRO 22 -3.556 -8.072 -23.792 182 HG2 PRO 22 2HG PRO 22 -1.479 -7.063 -25.697 183 HG3 PRO 22 3HG PRO 22 -2.478 -8.525 -25.802 184 HD2 PRO 22 2HD PRO 22 -3.052 -6.266 -27.180 185 HD3 PRO 22 3HD PRO 22 -4.311 -7.367 -26.586 186 H GLY 23 H GLY 23 -2.978 -5.083 -21.654 187 HA2 GLY 23 2HA GLY 23 -0.457 -3.814 -22.259 188 HA3 GLY 23 3HA GLY 23 -1.761 -2.678 -21.948 189 H PHE 24 H PHE 24 0.806 -3.739 -20.509 190 HA PHE 24 HA PHE 24 -0.270 -4.657 -17.991 191 HB2 PHE 24 2HB PHE 24 2.148 -4.984 -19.231 192 HB3 PHE 24 3HB PHE 24 2.526 -3.745 -18.039 193 HD1 PHE 24 HD1 PHE 24 0.453 -6.852 -18.084 194 HD2 PHE 24 HD2 PHE 24 3.487 -4.585 -16.143 195 HE1 PHE 24 HE1 PHE 24 0.633 -8.586 -16.347 196 HE2 PHE 24 HE2 PHE 24 3.673 -6.315 -14.404 197 HZ PHE 24 HZ PHE 24 2.245 -8.319 -14.505 198 H VAL 25 H VAL 25 -0.986 -3.384 -16.426 199 HA VAL 25 HA VAL 25 -0.760 -0.534 -16.597 200 HB VAL 25 HB VAL 25 -1.877 -2.268 -14.390 201 HG11 VAL 25 1HG1 VAL 25 -3.131 0.070 -14.070 202 HG12 VAL 25 2HG1 VAL 25 -1.626 -0.329 -13.239 203 HG13 VAL 25 3HG1 VAL 25 -1.594 0.662 -14.698 204 HG21 VAL 25 3HG2 VAL 25 -3.442 -2.650 -15.962 205 HG22 VAL 25 1HG2 VAL 25 -3.993 -1.028 -15.545 206 HG23 VAL 25 2HG2 VAL 25 -2.943 -1.271 -16.941 207 H MET 26 H MET 26 0.942 0.598 -15.956 208 HA MET 26 HA MET 26 2.349 -0.218 -13.514 209 HB2 MET 26 2HB MET 26 3.762 0.711 -16.018 210 HB3 MET 26 3HB MET 26 4.511 0.188 -14.515 211 HG2 MET 26 2HG MET 26 3.171 -2.025 -15.027 212 HG3 MET 26 3HG MET 26 3.265 -1.416 -16.677 213 HE1 MET 26 3HE MET 26 5.199 -0.498 -17.656 214 HE2 MET 26 1HE MET 26 6.797 -0.412 -16.915 215 HE3 MET 26 2HE MET 26 6.393 -1.754 -17.986 216 H ASP 27 H ASP 27 3.067 1.442 -12.234 217 HA ASP 27 HA ASP 27 1.936 4.045 -12.782 218 HB2 ASP 27 2HB ASP 27 2.435 4.580 -10.526 219 HB3 ASP 27 3HB ASP 27 1.926 2.894 -10.512 220 HA PRO 28 HA PRO 28 5.544 5.958 -14.406 221 HB2 PRO 28 2HB PRO 28 5.081 8.527 -13.661 222 HB3 PRO 28 3HB PRO 28 4.185 7.726 -14.957 223 HG2 PRO 28 2HG PRO 28 3.394 8.177 -12.106 224 HG3 PRO 28 3HG PRO 28 2.424 8.361 -13.579 225 HD2 PRO 28 2HD PRO 28 2.248 6.182 -11.981 226 HD3 PRO 28 3HD PRO 28 2.008 6.100 -13.738 227 H ASP 29 H ASP 29 4.675 6.794 -11.066 228 HA ASP 29 HA ASP 29 7.177 6.130 -9.996 229 HB2 ASP 29 2HB ASP 29 7.480 8.424 -11.367 230 HB3 ASP 29 3HB ASP 29 6.941 9.084 -9.825 231 H GLU 30 H GLU 30 4.661 5.523 -9.224 232 HA GLU 30 HA GLU 30 3.331 5.399 -7.382 233 HB2 GLU 30 2HB GLU 30 5.320 7.170 -5.970 234 HB3 GLU 30 3HB GLU 30 4.223 5.995 -5.258 235 HG2 GLU 30 2HG GLU 30 5.484 4.198 -6.411 236 HG3 GLU 30 3HG GLU 30 6.635 5.415 -6.959 237 H VAL 31 H VAL 31 1.890 6.749 -8.719 238 HA VAL 31 HA VAL 31 1.668 9.531 -7.825 239 HB VAL 31 HB VAL 31 -0.041 9.718 -9.654 240 HG11 VAL 31 1HG1 VAL 31 1.997 10.592 -10.274 241 HG12 VAL 31 2HG1 VAL 31 2.826 9.040 -10.137 242 HG13 VAL 31 3HG1 VAL 31 1.763 9.356 -11.509 243 HG21 VAL 31 3HG2 VAL 31 -0.351 7.131 -9.614 244 HG22 VAL 31 1HG2 VAL 31 -0.479 8.006 -11.140 245 HG23 VAL 31 2HG2 VAL 31 1.004 7.138 -10.743 246 H ARG 32 H ARG 32 0.785 6.898 -6.444 247 HA ARG 32 HA ARG 32 -2.077 7.269 -6.217 248 HB2 ARG 32 2HB ARG 32 -1.412 5.009 -6.132 249 HB3 ARG 32 3HB ARG 32 -0.110 5.347 -4.998 250 HG2 ARG 32 2HG ARG 32 -1.961 4.181 -3.926 251 HG3 ARG 32 3HG ARG 32 -1.729 5.791 -3.242 252 HD2 ARG 32 2HD ARG 32 -3.547 6.617 -4.719 253 HD3 ARG 32 3HD ARG 32 -3.822 4.957 -5.244 254 HE ARG 32 HE ARG 32 -3.985 4.883 -2.508 255 HH11 ARG 32 1HH1 ARG 32 -5.609 6.600 -5.064 256 HH12 ARG 32 2HH1 ARG 32 -7.107 6.728 -4.203 257 HH21 ARG 32 2HH2 ARG 32 -7.300 5.844 -2.098 258 HH22 ARG 32 1HH2 ARG 32 -5.952 5.045 -1.364 259 H ASP 33 H ASP 33 0.816 7.893 -4.317 260 HA ASP 33 HA ASP 33 -0.836 9.116 -2.216 261 HB2 ASP 33 2HB ASP 33 1.604 7.571 -2.186 262 HB3 ASP 33 3HB ASP 33 1.854 9.129 -1.403 263 H ILE 34 H ILE 34 1.655 9.758 -4.580 264 HA ILE 34 HA ILE 34 1.683 12.587 -3.765 265 HB ILE 34 HB ILE 34 3.698 11.146 -5.491 266 HG12 ILE 34 2HG1 ILE 34 4.953 11.952 -3.153 267 HG13 ILE 34 3HG1 ILE 34 3.396 11.349 -2.594 268 HG21 ILE 34 1HG2 ILE 34 3.366 13.955 -4.585 269 HG22 ILE 34 2HG2 ILE 34 5.000 13.304 -4.691 270 HG23 ILE 34 3HG2 ILE 34 3.965 13.324 -6.118 271 HD11 ILE 34 3HD1 ILE 34 4.650 9.594 -4.538 272 HD12 ILE 34 1HD1 ILE 34 5.632 9.844 -3.094 273 HD13 ILE 34 2HD1 ILE 34 3.982 9.235 -2.946 274 H THR 35 H THR 35 0.286 13.740 -4.922 275 HA THR 35 HA THR 35 -0.105 13.080 -7.759 276 HB THR 35 HB THR 35 -2.041 14.873 -7.343 277 HG1 THR 35 HG1 THR 35 -2.845 14.199 -5.121 278 HG21 THR 35 3HG2 THR 35 -2.549 12.142 -6.248 279 HG22 THR 35 1HG2 THR 35 -2.051 12.315 -7.931 280 HG23 THR 35 2HG2 THR 35 -3.521 13.105 -7.360 281 H LEU 36 H LEU 36 1.354 14.175 -8.941 282 HA LEU 36 HA LEU 36 1.642 17.063 -8.428 283 HB2 LEU 36 2HB LEU 36 3.596 15.096 -9.603 284 HB3 LEU 36 3HB LEU 36 3.831 16.842 -9.622 285 HG LEU 36 HG LEU 36 3.444 15.376 -7.036 286 HD11 LEU 36 1HD1 LEU 36 5.237 14.182 -8.072 287 HD12 LEU 36 2HD1 LEU 36 5.927 15.279 -6.876 288 HD13 LEU 36 3HD1 LEU 36 6.006 15.682 -8.591 289 HD21 LEU 36 3HD2 LEU 36 5.146 17.783 -7.559 290 HD22 LEU 36 1HD2 LEU 36 4.378 17.262 -6.060 291 HD23 LEU 36 2HD2 LEU 36 3.400 17.940 -7.362 292 HA PRO 37 HA PRO 37 0.006 17.935 -12.408 293 HB2 PRO 37 2HB PRO 37 1.397 20.174 -13.062 294 HB3 PRO 37 3HB PRO 37 0.124 20.157 -11.835 295 HG2 PRO 37 2HG PRO 37 3.095 20.044 -11.484 296 HG3 PRO 37 3HG PRO 37 1.896 20.978 -10.571 297 HD2 PRO 37 2HD PRO 37 2.948 18.660 -9.648 298 HD3 PRO 37 3HD PRO 37 1.288 19.170 -9.277 299 H GLU 38 H GLU 38 0.359 17.109 -14.372 300 HA GLU 38 HA GLU 38 2.778 17.418 -15.814 301 HB2 GLU 38 2HB GLU 38 2.911 15.367 -13.976 302 HB3 GLU 38 3HB GLU 38 2.437 14.535 -15.450 303 HG2 GLU 38 2HG GLU 38 4.378 15.148 -16.570 304 HG3 GLU 38 3HG GLU 38 4.731 16.454 -15.440 305 H GLY 39 H GLY 39 0.301 14.857 -15.533 306 HA2 GLY 39 2HA GLY 39 -1.613 15.157 -17.162 307 HA3 GLY 39 3HA GLY 39 -0.352 15.347 -18.371 308 H SER 40 H SER 40 0.826 13.153 -16.254 309 HA SER 40 HA SER 40 -0.488 10.855 -17.522 310 HB2 SER 40 2HB SER 40 1.750 9.786 -17.831 311 HB3 SER 40 3HB SER 40 1.513 11.214 -18.836 312 HG SER 40 HG SER 40 2.683 11.541 -16.318 313 H ASP 41 H ASP 41 -1.411 9.901 -15.819 314 HA ASP 41 HA ASP 41 0.145 9.617 -13.341 315 HB2 ASP 41 2HB ASP 41 -2.470 10.445 -13.734 316 HB3 ASP 41 3HB ASP 41 -2.646 8.772 -13.213 317 H VAL 42 H VAL 42 -1.435 7.854 -15.895 318 HA VAL 42 HA VAL 42 -0.530 5.333 -14.662 319 HB VAL 42 HB VAL 42 -2.869 5.640 -16.547 320 HG11 VAL 42 1HG1 VAL 42 -1.612 3.328 -15.127 321 HG12 VAL 42 2HG1 VAL 42 -3.329 3.298 -15.531 322 HG13 VAL 42 3HG1 VAL 42 -2.124 3.463 -16.809 323 HG21 VAL 42 3HG2 VAL 42 -4.066 4.893 -14.316 324 HG22 VAL 42 1HG2 VAL 42 -2.686 5.706 -13.579 325 HG23 VAL 42 2HG2 VAL 42 -3.756 6.593 -14.665 326 H TRP 43 H TRP 43 0.655 3.953 -15.889 327 HA TRP 43 HA TRP 43 1.193 4.767 -18.671 328 HB2 TRP 43 2HB TRP 43 3.016 4.824 -16.639 329 HB3 TRP 43 3HB TRP 43 3.292 3.217 -17.305 330 HD1 TRP 43 HD1 TRP 43 2.583 4.295 -20.385 331 HE1 TRP 43 HE1 TRP 43 4.465 5.539 -21.624 332 HE3 TRP 43 HE3 TRP 43 5.463 5.614 -16.372 333 HZ2 TRP 43 HZ2 TRP 43 6.855 6.898 -20.985 334 HZ3 TRP 43 HZ3 TRP 43 7.532 6.884 -16.772 335 HH2 TRP 43 HH2 TRP 43 8.212 7.512 -19.032 336 H VAL 44 H VAL 44 0.215 3.352 -19.965 337 HA VAL 44 HA VAL 44 0.039 0.541 -19.173 338 HB VAL 44 HB VAL 44 -1.273 1.998 -21.472 339 HG11 VAL 44 1HG1 VAL 44 -2.723 -0.220 -21.231 340 HG12 VAL 44 2HG1 VAL 44 -1.305 -0.128 -22.278 341 HG13 VAL 44 3HG1 VAL 44 -1.175 -0.856 -20.676 342 HG21 VAL 44 3HG2 VAL 44 -2.183 2.748 -19.383 343 HG22 VAL 44 1HG2 VAL 44 -3.342 1.648 -20.129 344 HG23 VAL 44 2HG2 VAL 44 -2.329 1.091 -18.797 345 H CYS 45 H CYS 45 1.585 -0.789 -19.826 346 HA CYS 45 HA CYS 45 3.120 -0.142 -22.233 347 HB2 CYS 45 2HB CYS 45 4.253 -0.661 -20.021 348 HB3 CYS 45 3HB CYS 45 3.707 -2.321 -20.228 349 HG CYS 45 HG CYS 45 5.147 -1.584 -23.009 350 H CYS 46 H CYS 46 1.930 -0.845 -23.943 351 HA CYS 46 HA CYS 46 0.551 -3.355 -23.937 352 HB2 CYS 46 2HB CYS 46 1.187 -1.412 -26.164 353 HB3 CYS 46 3HB CYS 46 0.195 -2.851 -26.368 354 HG CYS 46 HG CYS 46 -0.557 0.075 -24.863 355 H LEU 47 H LEU 47 0.957 -4.847 -25.927 356 HA LEU 47 HA LEU 47 3.506 -6.028 -25.563 357 HB2 LEU 47 2HB LEU 47 2.673 -7.774 -26.716 358 HB3 LEU 47 3HB LEU 47 1.144 -6.951 -26.413 359 HG LEU 47 HG LEU 47 2.755 -6.780 -28.959 360 HD11 LEU 47 1HD1 LEU 47 0.054 -8.012 -28.771 361 HD12 LEU 47 2HD1 LEU 47 1.454 -8.952 -28.258 362 HD13 LEU 47 3HD1 LEU 47 1.367 -8.330 -29.905 363 HD21 LEU 47 3HD2 LEU 47 0.198 -5.924 -29.474 364 HD22 LEU 47 1HD2 LEU 47 1.606 -4.887 -29.248 365 HD23 LEU 47 2HD2 LEU 47 0.533 -5.226 -27.889 366 HA PRO 48 HA PRO 48 6.030 -4.123 -28.605 367 HB2 PRO 48 2HB PRO 48 7.461 -6.221 -29.562 368 HB3 PRO 48 3HB PRO 48 7.716 -5.540 -27.952 369 HG2 PRO 48 2HG PRO 48 6.164 -7.970 -28.756 370 HG3 PRO 48 3HG PRO 48 7.274 -7.752 -27.390 371 HD2 PRO 48 2HD PRO 48 4.582 -7.654 -27.110 372 HD3 PRO 48 3HD PRO 48 5.683 -6.691 -26.104 373 H ARG 49 H ARG 49 4.932 -3.334 -30.324 374 HA ARG 49 HA ARG 49 4.821 -4.927 -32.719 375 HB2 ARG 49 2HB ARG 49 2.459 -4.785 -33.111 376 HB3 ARG 49 3HB ARG 49 2.702 -5.517 -31.530 377 HG2 ARG 49 2HG ARG 49 1.070 -4.051 -30.982 378 HG3 ARG 49 3HG ARG 49 2.462 -2.990 -30.752 379 HD2 ARG 49 2HD ARG 49 1.335 -1.604 -32.116 380 HD3 ARG 49 3HD ARG 49 1.976 -2.636 -33.394 381 HE ARG 49 HE ARG 49 -0.506 -3.599 -32.357 382 HH11 ARG 49 1HH1 ARG 49 0.934 -1.312 -34.551 383 HH12 ARG 49 2HH1 ARG 49 -0.460 -1.221 -35.576 384 HH21 ARG 49 2HH2 ARG 49 -2.325 -2.458 -35.090 385 HH22 ARG 49 1HH2 ARG 49 -2.346 -3.488 -33.699 386 H ASP 50 H ASP 50 4.155 -1.923 -31.039 387 HA ASP 50 HA ASP 50 4.461 -0.464 -33.579 388 HB2 ASP 50 2HB ASP 50 2.594 -0.181 -31.433 389 HB3 ASP 50 3HB ASP 50 3.577 1.279 -31.515 390 H SER 51 H SER 51 6.431 -1.543 -31.419 391 HA SER 51 HA SER 51 8.520 -0.940 -30.733 392 HB2 SER 51 2HB SER 51 8.379 0.385 -32.994 393 HB3 SER 51 3HB SER 51 8.233 1.790 -31.939 394 HG SER 51 HG SER 51 10.439 0.695 -32.669 395 H LEU 52 H LEU 52 7.032 -0.908 -28.724 396 HA LEU 52 HA LEU 52 6.670 -0.056 -26.647 397 HB2 LEU 52 2HB LEU 52 8.941 1.443 -27.676 398 HB3 LEU 52 3HB LEU 52 7.997 2.361 -26.504 399 HG LEU 52 HG LEU 52 8.297 0.537 -24.872 400 HD11 LEU 52 1HD1 LEU 52 9.087 -0.919 -27.150 401 HD12 LEU 52 2HD1 LEU 52 9.000 -1.474 -25.479 402 HD13 LEU 52 3HD1 LEU 52 10.502 -0.794 -26.105 403 HD21 LEU 52 3HD2 LEU 52 10.337 1.288 -24.179 404 HD22 LEU 52 1HD2 LEU 52 9.967 2.522 -25.383 405 HD23 LEU 52 2HD2 LEU 52 11.048 1.189 -25.791 406 H THR 53 H THR 53 4.477 0.299 -27.424 407 HA THR 53 HA THR 53 3.789 3.059 -28.085 408 HB THR 53 HB THR 53 1.581 1.146 -27.785 409 HG1 THR 53 HG1 THR 53 3.796 0.595 -29.423 410 HG21 THR 53 3HG2 THR 53 2.231 2.502 -30.341 411 HG22 THR 53 1HG2 THR 53 1.846 3.530 -28.962 412 HG23 THR 53 2HG2 THR 53 0.683 2.325 -29.515 413 H LEU 54 H LEU 54 4.755 2.646 -25.474 414 HA LEU 54 HA LEU 54 2.883 2.206 -23.487 415 HB2 LEU 54 2HB LEU 54 4.993 4.341 -23.337 416 HB3 LEU 54 3HB LEU 54 4.310 3.396 -22.015 417 HG LEU 54 HG LEU 54 5.501 1.569 -23.815 418 HD11 LEU 54 1HD1 LEU 54 6.886 3.150 -24.822 419 HD12 LEU 54 2HD1 LEU 54 7.888 2.461 -23.545 420 HD13 LEU 54 3HD1 LEU 54 7.129 4.036 -23.316 421 HD21 LEU 54 3HD2 LEU 54 7.048 1.249 -21.850 422 HD22 LEU 54 1HD2 LEU 54 5.325 1.109 -21.499 423 HD23 LEU 54 2HD2 LEU 54 6.196 2.581 -21.067 424 H SER 55 H SER 55 1.045 3.175 -22.971 425 HA SER 55 HA SER 55 0.529 5.871 -24.005 426 HB2 SER 55 2HB SER 55 -1.013 3.677 -24.235 427 HB3 SER 55 3HB SER 55 -1.651 4.317 -22.721 428 HG SER 55 HG SER 55 -2.383 6.062 -23.741 429 H ALA 56 H ALA 56 0.840 7.498 -22.652 430 HA ALA 56 HA ALA 56 0.436 7.044 -19.770 431 HB1 ALA 56 1HB ALA 56 2.617 8.138 -21.153 432 HB2 ALA 56 2HB ALA 56 1.833 9.485 -20.326 433 HB3 ALA 56 3HB ALA 56 2.366 8.076 -19.408 434 H ALA 57 H ALA 57 -1.171 8.077 -18.779 435 HA ALA 57 HA ALA 57 -2.093 10.662 -19.690 436 HB1 ALA 57 1HB ALA 57 -3.308 8.553 -20.870 437 HB2 ALA 57 2HB ALA 57 -4.338 8.779 -19.456 438 HB3 ALA 57 3HB ALA 57 -4.082 10.111 -20.583 439 H ASN 58 H ASN 58 -3.195 11.804 -18.118 440 HA ASN 58 HA ASN 58 -3.401 10.469 -15.498 441 HB2 ASN 58 2HB ASN 58 -1.652 12.143 -15.465 442 HB3 ASN 58 3HB ASN 58 -2.740 13.349 -16.146 443 HD21 ASN 58 2HD2 ASN 58 -2.805 14.283 -12.718 444 HD22 ASN 58 1HD2 ASN 58 -1.913 14.484 -14.184 445 H SER 59 H SER 59 -5.492 9.983 -15.219 446 HA SER 59 HA SER 59 -7.756 10.184 -15.067 447 HB2 SER 59 2HB SER 59 -6.868 12.004 -13.464 448 HB3 SER 59 3HB SER 59 -7.353 13.148 -14.715 449 HG SER 59 HG SER 59 -9.372 12.843 -14.200 450 H GLU 60 H GLU 60 -6.562 10.432 -17.700 451 HA GLU 60 HA GLU 60 -8.597 12.111 -19.013 452 HB2 GLU 60 2HB GLU 60 -5.723 11.631 -19.625 453 HB3 GLU 60 3HB GLU 60 -6.822 11.834 -20.982 454 HG2 GLU 60 2HG GLU 60 -7.550 13.988 -20.035 455 HG3 GLU 60 3HG GLU 60 -6.372 13.789 -18.739 456 H ASP 61 H ASP 61 -7.083 8.992 -18.813 457 HA ASP 61 HA ASP 61 -8.519 7.978 -21.133 458 HB2 ASP 61 2HB ASP 61 -6.173 7.277 -20.679 459 HB3 ASP 61 3HB ASP 61 -6.726 6.497 -19.199 460 H GLU 62 H GLU 62 -10.616 7.580 -20.831 461 HA GLU 62 HA GLU 62 -11.391 5.786 -18.671 462 HB2 GLU 62 2HB GLU 62 -12.134 8.624 -18.822 463 HB3 GLU 62 3HB GLU 62 -13.497 7.534 -18.614 464 HG2 GLU 62 2HG GLU 62 -12.617 6.672 -16.593 465 HG3 GLU 62 3HG GLU 62 -11.061 7.457 -16.859 466 H GLY 63 H GLY 63 -11.192 5.929 -21.711 467 HA2 GLY 63 2HA GLY 63 -13.815 5.859 -22.773 468 HA3 GLY 63 3HA GLY 63 -12.379 5.190 -23.533 469 H GLN 64 H GLN 64 -12.002 3.021 -23.447 470 HA GLN 64 HA GLN 64 -13.935 1.399 -21.929 471 HB2 GLN 64 2HB GLN 64 -13.272 1.365 -24.804 472 HB3 GLN 64 3HB GLN 64 -13.342 -0.214 -24.033 473 HG2 GLN 64 2HG GLN 64 -15.610 0.427 -23.165 474 HG3 GLN 64 3HG GLN 64 -15.522 1.844 -24.210 475 HE21 GLN 64 2HE2 GLN 64 -16.486 0.159 -27.061 476 HE22 GLN 64 1HE2 GLN 64 -16.129 1.648 -26.262 477 H ILE 65 H ILE 65 -13.030 0.003 -20.575 478 HA ILE 65 HA ILE 65 -10.436 -1.176 -21.213 479 HB ILE 65 HB ILE 65 -9.844 0.773 -19.886 480 HG12 ILE 65 2HG1 ILE 65 -9.535 -1.327 -17.829 481 HG13 ILE 65 3HG1 ILE 65 -8.999 -1.770 -19.446 482 HG21 ILE 65 1HG2 ILE 65 -11.992 1.071 -18.745 483 HG22 ILE 65 2HG2 ILE 65 -11.667 -0.360 -17.768 484 HG23 ILE 65 3HG2 ILE 65 -10.645 1.068 -17.606 485 HD11 ILE 65 3HD1 ILE 65 -7.339 -0.699 -17.766 486 HD12 ILE 65 1HD1 ILE 65 -7.317 -0.207 -19.459 487 HD13 ILE 65 2HD1 ILE 65 -8.108 0.811 -18.255 488 H ARG 66 H ARG 66 -10.083 -3.181 -20.291 489 HA ARG 66 HA ARG 66 -12.202 -4.246 -18.556 490 HB2 ARG 66 2HB ARG 66 -12.504 -4.890 -20.997 491 HB3 ARG 66 3HB ARG 66 -11.016 -5.815 -20.843 492 HG2 ARG 66 2HG ARG 66 -12.562 -7.443 -20.443 493 HG3 ARG 66 3HG ARG 66 -12.264 -6.880 -18.796 494 HD2 ARG 66 2HD ARG 66 -14.224 -5.276 -19.203 495 HD3 ARG 66 3HD ARG 66 -14.598 -6.297 -20.591 496 HE ARG 66 HE ARG 66 -14.397 -8.072 -18.565 497 HH11 ARG 66 1HH1 ARG 66 -16.183 -5.111 -18.971 498 HH12 ARG 66 2HH1 ARG 66 -17.490 -5.606 -17.947 499 HH21 ARG 66 2HH2 ARG 66 -17.448 -7.667 -16.947 500 HH22 ARG 66 1HH2 ARG 66 -16.112 -8.735 -17.214 501 H TYR 67 H TYR 67 -11.506 -5.502 -16.917 502 HA TYR 67 HA TYR 67 -8.686 -5.638 -16.412 503 HB2 TYR 67 2HB TYR 67 -10.971 -6.868 -14.858 504 HB3 TYR 67 3HB TYR 67 -9.320 -6.659 -14.286 505 HD1 TYR 67 HD1 TYR 67 -8.439 -4.339 -13.917 506 HD2 TYR 67 HD2 TYR 67 -12.547 -5.107 -14.714 507 HE1 TYR 67 HE1 TYR 67 -9.020 -2.116 -13.038 508 HE2 TYR 67 HE2 TYR 67 -13.139 -2.886 -13.839 509 HH TYR 67 HH TYR 67 -12.393 -1.073 -12.764 510 H PHE 68 H PHE 68 -7.367 -7.173 -17.100 511 HA PHE 68 HA PHE 68 -8.495 -9.757 -17.915 512 HB2 PHE 68 2HB PHE 68 -7.284 -8.736 -19.697 513 HB3 PHE 68 3HB PHE 68 -5.929 -8.345 -18.642 514 HD1 PHE 68 HD1 PHE 68 -7.650 -11.033 -20.455 515 HD2 PHE 68 HD2 PHE 68 -4.254 -9.966 -18.122 516 HE1 PHE 68 HE1 PHE 68 -6.552 -13.139 -21.097 517 HE2 PHE 68 HE2 PHE 68 -3.150 -12.070 -18.761 518 HZ PHE 68 HZ PHE 68 -4.298 -13.659 -20.250 519 H LEU 69 H LEU 69 -7.696 -11.691 -17.147 520 HA LEU 69 HA LEU 69 -5.402 -12.009 -15.566 521 HB2 LEU 69 2HB LEU 69 -7.689 -10.957 -14.184 522 HB3 LEU 69 3HB LEU 69 -7.298 -12.561 -13.566 523 HG LEU 69 HG LEU 69 -5.251 -10.365 -13.772 524 HD11 LEU 69 1HD1 LEU 69 -7.053 -11.036 -11.451 525 HD12 LEU 69 2HD1 LEU 69 -7.027 -9.529 -12.366 526 HD13 LEU 69 3HD1 LEU 69 -5.643 -9.980 -11.369 527 HD21 LEU 69 3HD2 LEU 69 -4.803 -12.952 -13.451 528 HD22 LEU 69 1HD2 LEU 69 -5.201 -12.566 -11.777 529 HD23 LEU 69 2HD2 LEU 69 -3.869 -11.734 -12.581 530 HA PRO 70 HA PRO 70 -8.121 -15.974 -15.164 531 HB2 PRO 70 2HB PRO 70 -10.689 -15.832 -16.033 532 HB3 PRO 70 3HB PRO 70 -10.213 -15.447 -14.375 533 HG2 PRO 70 2HG PRO 70 -10.756 -13.600 -16.667 534 HG3 PRO 70 3HG PRO 70 -11.254 -13.455 -14.971 535 HD2 PRO 70 2HD PRO 70 -9.148 -12.094 -15.994 536 HD3 PRO 70 3HD PRO 70 -9.200 -12.646 -14.307 537 H ASP 71 H ASP 71 -7.955 -13.902 -17.835 538 HA ASP 71 HA ASP 71 -7.923 -14.204 -20.102 539 HB2 ASP 71 2HB ASP 71 -6.490 -16.002 -20.846 540 HB3 ASP 71 3HB ASP 71 -5.845 -15.352 -19.341 541 H ARG 72 H ARG 72 -10.390 -14.976 -18.843 542 HA ARG 72 HA ARG 72 -11.325 -16.911 -20.847 543 HB2 ARG 72 2HB ARG 72 -11.082 -17.594 -18.223 544 HB3 ARG 72 3HB ARG 72 -12.729 -16.979 -18.255 545 HG2 ARG 72 2HG ARG 72 -13.476 -18.652 -19.636 546 HG3 ARG 72 3HG ARG 72 -11.879 -18.937 -20.331 547 HD2 ARG 72 2HD ARG 72 -11.674 -20.662 -18.943 548 HD3 ARG 72 3HD ARG 72 -11.598 -19.502 -17.617 549 HE ARG 72 HE ARG 72 -13.729 -20.098 -17.015 550 HH11 ARG 72 1HH1 ARG 72 -13.050 -21.309 -20.208 551 HH12 ARG 72 2HH1 ARG 72 -14.495 -22.262 -20.295 552 HH21 ARG 72 2HH2 ARG 72 -15.964 -22.282 -18.538 553 HH22 ARG 72 1HH2 ARG 72 -15.634 -21.348 -17.118 554 H ASP 73 H ASP 73 -11.391 -13.938 -20.559 555 HA ASP 73 HA ASP 73 -14.252 -13.428 -20.248 556 HB2 ASP 73 2HB ASP 73 -12.452 -11.937 -19.223 557 HB3 ASP 73 3HB ASP 73 -12.118 -11.388 -20.863 558 H GLU 74 H GLU 74 -13.337 -14.990 -22.487 559 HA GLU 74 HA GLU 74 -13.672 -15.194 -24.727 560 HB2 GLU 74 2HB GLU 74 -15.354 -12.701 -24.432 561 HB3 GLU 74 3HB GLU 74 -15.437 -13.876 -25.737 562 HG2 GLU 74 2HG GLU 74 -16.152 -15.584 -24.106 563 HG3 GLU 74 3HG GLU 74 -16.160 -14.343 -22.854 564 H GLY 75 H GLY 75 -11.324 -13.903 -23.963 565 HA2 GLY 75 2HA GLY 75 -10.919 -12.158 -26.297 566 HA3 GLY 75 3HA GLY 75 -10.370 -11.623 -24.715 567 H MET 76 H MET 76 -9.457 -14.152 -23.774 568 HA MET 76 HA MET 76 -6.821 -14.134 -24.610 569 HB2 MET 76 2HB MET 76 -7.643 -15.203 -22.532 570 HB3 MET 76 3HB MET 76 -8.339 -16.499 -23.496 571 HG2 MET 76 2HG MET 76 -5.737 -16.464 -24.344 572 HG3 MET 76 3HG MET 76 -5.591 -16.067 -22.633 573 HE1 MET 76 3HE MET 76 -4.742 -19.943 -23.042 574 HE2 MET 76 1HE MET 76 -4.688 -18.889 -24.455 575 HE3 MET 76 2HE MET 76 -4.054 -18.324 -22.909 576 H MET 77 H MET 77 -9.575 -15.713 -26.024 577 HA MET 77 HA MET 77 -8.228 -17.629 -27.590 578 HB2 MET 77 2HB MET 77 -10.293 -17.658 -28.954 579 HB3 MET 77 3HB MET 77 -10.618 -17.776 -27.230 580 HG2 MET 77 2HG MET 77 -11.040 -15.291 -27.263 581 HG3 MET 77 3HG MET 77 -10.993 -15.398 -29.021 582 HE1 MET 77 3HE MET 77 -12.651 -15.789 -30.399 583 HE2 MET 77 1HE MET 77 -14.296 -16.339 -30.082 584 HE3 MET 77 2HE MET 77 -13.789 -14.732 -29.563 585 H GLU 78 H GLU 78 -9.101 -14.259 -28.188 586 HA GLU 78 HA GLU 78 -7.933 -14.350 -30.852 587 HB2 GLU 78 2HB GLU 78 -10.064 -13.016 -30.009 588 HB3 GLU 78 3HB GLU 78 -8.857 -11.805 -29.599 589 HG2 GLU 78 2HG GLU 78 -8.073 -11.827 -31.929 590 HG3 GLU 78 3HG GLU 78 -9.340 -12.988 -32.324 591 H GLU 79 H GLU 79 -7.044 -13.522 -27.650 592 HA GLU 79 HA GLU 79 -4.715 -12.003 -28.600 593 HB2 GLU 79 2HB GLU 79 -6.447 -11.368 -26.609 594 HB3 GLU 79 3HB GLU 79 -5.205 -12.215 -25.697 595 HG2 GLU 79 2HG GLU 79 -4.742 -9.860 -25.696 596 HG3 GLU 79 3HG GLU 79 -3.511 -10.701 -26.636 597 H GLY 80 H GLY 80 -5.192 -15.014 -28.522 598 HA2 GLY 80 2HA GLY 80 -2.532 -15.697 -27.672 599 HA3 GLY 80 3HA GLY 80 -3.772 -16.354 -26.614 600 H LYS 81 H LYS 81 -5.732 -16.838 -28.630 601 HA LYS 81 HA LYS 81 -4.525 -19.212 -29.851 602 HB2 LYS 81 2HB LYS 81 -6.871 -18.874 -28.439 603 HB3 LYS 81 3HB LYS 81 -7.424 -18.905 -30.108 604 HG2 LYS 81 2HG LYS 81 -6.838 -21.081 -30.411 605 HG3 LYS 81 3HG LYS 81 -5.506 -21.000 -29.256 606 HD2 LYS 81 2HD LYS 81 -7.880 -20.539 -27.803 607 HD3 LYS 81 3HD LYS 81 -8.188 -21.920 -28.859 608 HE2 LYS 81 2HE LYS 81 -5.848 -22.714 -28.001 609 HE3 LYS 81 3HE LYS 81 -6.181 -21.609 -26.669 610 HZ1 LYS 81 3HZ LYS 81 -7.855 -23.911 -27.515 611 HZ2 LYS 81 1HZ LYS 81 -8.286 -22.803 -26.311 612 HZ3 LYS 81 2HZ LYS 81 -6.935 -23.797 -26.100 613 H LEU 82 H LEU 82 -4.436 -16.343 -30.857 614 HA LEU 82 HA LEU 82 -5.352 -16.958 -33.583 615 HB2 LEU 82 2HB LEU 82 -6.831 -15.317 -32.340 616 HB3 LEU 82 3HB LEU 82 -5.464 -14.205 -32.376 617 HG LEU 82 HG LEU 82 -5.564 -14.555 -34.944 618 HD11 LEU 82 1HD1 LEU 82 -7.119 -16.389 -34.997 619 HD12 LEU 82 2HD1 LEU 82 -7.866 -14.979 -35.747 620 HD13 LEU 82 3HD1 LEU 82 -8.318 -15.449 -34.108 621 HD21 LEU 82 3HD2 LEU 82 -6.290 -12.554 -33.411 622 HD22 LEU 82 1HD2 LEU 82 -7.912 -13.045 -33.900 623 HD23 LEU 82 2HD2 LEU 82 -6.725 -12.584 -35.121 624 H ASP 83 H ASP 83 -3.322 -14.766 -31.645 625 HA ASP 83 HA ASP 83 -1.343 -14.826 -33.829 626 HB2 ASP 83 2HB ASP 83 -2.239 -12.625 -32.016 627 HB3 ASP 83 3HB ASP 83 -0.567 -12.632 -32.573 628 H ALA 84 H ALA 84 0.894 -14.812 -33.219 629 HA ALA 84 HA ALA 84 1.393 -16.447 -30.890 630 HB1 ALA 84 1HB ALA 84 3.182 -15.425 -33.084 631 HB2 ALA 84 2HB ALA 84 3.757 -16.410 -31.738 632 HB3 ALA 84 3HB ALA 84 2.565 -17.063 -32.863 633 H SER 85 H SER 85 2.043 -13.155 -31.949 634 HA SER 85 HA SER 85 3.822 -12.455 -29.869 635 HB2 SER 85 2HB SER 85 2.023 -10.784 -31.631 636 HB3 SER 85 3HB SER 85 3.157 -10.087 -30.474 637 HG SER 85 HG SER 85 4.256 -10.195 -32.365 638 H CYS 86 H CYS 86 0.326 -12.461 -30.128 639 HA CYS 86 HA CYS 86 -0.157 -10.964 -27.753 640 HB2 CYS 86 2HB CYS 86 -1.965 -12.882 -29.238 641 HB3 CYS 86 3HB CYS 86 -2.480 -11.756 -27.988 642 HG CYS 86 HG CYS 86 -2.257 -9.502 -29.422 643 H ALA 87 H ALA 87 -0.207 -14.436 -28.506 644 HA ALA 87 HA ALA 87 -0.909 -15.322 -25.931 645 HB1 ALA 87 1HB ALA 87 -0.309 -16.501 -28.415 646 HB2 ALA 87 2HB ALA 87 0.767 -17.241 -27.230 647 HB3 ALA 87 3HB ALA 87 -0.978 -17.276 -26.979 648 H VAL 88 H VAL 88 2.215 -14.643 -27.422 649 HA VAL 88 HA VAL 88 3.786 -15.677 -25.284 650 HB VAL 88 HB VAL 88 4.477 -13.718 -27.475 651 HG11 VAL 88 1HG1 VAL 88 5.968 -14.550 -25.113 652 HG12 VAL 88 2HG1 VAL 88 6.835 -14.843 -26.622 653 HG13 VAL 88 3HG1 VAL 88 6.266 -13.219 -26.231 654 HG21 VAL 88 3HG2 VAL 88 3.907 -16.322 -27.761 655 HG22 VAL 88 1HG2 VAL 88 5.101 -15.482 -28.750 656 HG23 VAL 88 2HG2 VAL 88 5.621 -16.441 -27.365 657 H ALA 89 H ALA 89 2.670 -12.428 -26.160 658 HA ALA 89 HA ALA 89 4.023 -11.010 -24.156 659 HB1 ALA 89 1HB ALA 89 3.183 -9.477 -25.560 660 HB2 ALA 89 2HB ALA 89 1.810 -10.490 -26.006 661 HB3 ALA 89 3HB ALA 89 1.760 -9.543 -24.519 662 H ILE 90 H ILE 90 0.784 -12.465 -24.178 663 HA ILE 90 HA ILE 90 0.074 -11.602 -21.573 664 HB ILE 90 HB ILE 90 -0.987 -13.903 -23.216 665 HG12 ILE 90 2HG1 ILE 90 -2.112 -11.137 -22.722 666 HG13 ILE 90 3HG1 ILE 90 -1.285 -11.640 -24.192 667 HG21 ILE 90 1HG2 ILE 90 -2.055 -12.669 -20.681 668 HG22 ILE 90 2HG2 ILE 90 -2.939 -13.806 -21.697 669 HG23 ILE 90 3HG2 ILE 90 -1.456 -14.315 -20.888 670 HD11 ILE 90 3HD1 ILE 90 -3.180 -13.530 -24.069 671 HD12 ILE 90 1HD1 ILE 90 -4.019 -12.204 -23.266 672 HD13 ILE 90 2HD1 ILE 90 -3.389 -11.988 -24.899 673 H GLU 91 H GLU 91 1.326 -14.691 -22.813 674 HA GLU 91 HA GLU 91 1.339 -16.104 -20.413 675 HB2 GLU 91 2HB GLU 91 1.720 -17.194 -22.552 676 HB3 GLU 91 3HB GLU 91 3.226 -16.313 -22.764 677 HG2 GLU 91 2HG GLU 91 4.191 -17.463 -20.855 678 HG3 GLU 91 3HG GLU 91 2.674 -18.320 -20.590 679 H GLU 92 H GLU 92 3.670 -13.825 -21.734 680 HA GLU 92 HA GLU 92 5.675 -14.312 -19.762 681 HB2 GLU 92 2HB GLU 92 6.125 -13.332 -22.013 682 HB3 GLU 92 3HB GLU 92 5.307 -11.864 -21.495 683 HG2 GLU 92 2HG GLU 92 6.969 -11.442 -19.832 684 HG3 GLU 92 3HG GLU 92 7.726 -13.007 -20.123 685 H ALA 93 H ALA 93 3.176 -11.833 -20.186 686 HA ALA 93 HA ALA 93 3.816 -10.225 -17.999 687 HB1 ALA 93 1HB ALA 93 1.759 -10.357 -19.911 688 HB2 ALA 93 2HB ALA 93 0.975 -10.331 -18.331 689 HB3 ALA 93 3HB ALA 93 2.103 -9.050 -18.776 690 H ILE 94 H ILE 94 1.808 -13.128 -18.195 691 HA ILE 94 HA ILE 94 1.025 -12.999 -15.431 692 HB ILE 94 HB ILE 94 -0.002 -15.176 -15.795 693 HG12 ILE 94 2HG1 ILE 94 1.330 -15.064 -18.509 694 HG13 ILE 94 3HG1 ILE 94 1.722 -16.182 -17.207 695 HG21 ILE 94 1HG2 ILE 94 -1.729 -14.401 -17.066 696 HG22 ILE 94 2HG2 ILE 94 -0.874 -12.884 -16.787 697 HG23 ILE 94 3HG2 ILE 94 -0.665 -13.746 -18.311 698 HD11 ILE 94 3HD1 ILE 94 -0.884 -16.049 -18.705 699 HD12 ILE 94 1HD1 ILE 94 0.381 -17.261 -18.909 700 HD13 ILE 94 2HD1 ILE 94 -0.508 -17.161 -17.389 701 H GLN 95 H GLN 95 3.520 -14.588 -17.301 702 HA GLN 95 HA GLN 95 4.327 -16.451 -15.329 703 HB2 GLN 95 2HB GLN 95 4.933 -16.684 -17.696 704 HB3 GLN 95 3HB GLN 95 5.920 -15.232 -17.591 705 HG2 GLN 95 2HG GLN 95 7.431 -16.309 -16.063 706 HG3 GLN 95 3HG GLN 95 6.400 -17.737 -15.995 707 HE21 GLN 95 2HE2 GLN 95 8.183 -19.240 -18.526 708 HE22 GLN 95 1HE2 GLN 95 7.376 -19.336 -17.001 709 H LEU 96 H LEU 96 5.070 -13.091 -15.906 710 HA LEU 96 HA LEU 96 7.191 -13.101 -13.906 711 HB2 LEU 96 2HB LEU 96 7.504 -10.757 -14.528 712 HB3 LEU 96 3HB LEU 96 7.574 -11.828 -15.925 713 HG LEU 96 HG LEU 96 5.039 -11.139 -16.157 714 HD11 LEU 96 1HD1 LEU 96 5.796 -8.470 -15.320 715 HD12 LEU 96 2HD1 LEU 96 5.745 -9.602 -13.970 716 HD13 LEU 96 3HD1 LEU 96 4.324 -9.385 -14.991 717 HD21 LEU 96 3HD2 LEU 96 7.550 -10.049 -17.154 718 HD22 LEU 96 1HD2 LEU 96 6.209 -8.908 -17.251 719 HD23 LEU 96 2HD2 LEU 96 6.079 -10.488 -18.023 720 H TYR 97 H TYR 97 3.897 -11.990 -14.354 721 HA TYR 97 HA TYR 97 3.746 -10.333 -12.071 722 HB2 TYR 97 2HB TYR 97 2.105 -10.211 -13.886 723 HB3 TYR 97 3HB TYR 97 1.550 -11.838 -13.509 724 HD1 TYR 97 HD1 TYR 97 2.355 -9.060 -11.167 725 HD2 TYR 97 HD2 TYR 97 -0.670 -11.532 -12.851 726 HE1 TYR 97 HE1 TYR 97 0.721 -8.129 -9.582 727 HE2 TYR 97 HE2 TYR 97 -2.313 -10.608 -11.271 728 HH TYR 97 HH TYR 97 -2.694 -9.082 -9.693 729 H GLU 98 H GLU 98 2.999 -13.754 -12.597 730 HA GLU 98 HA GLU 98 2.264 -14.119 -9.816 731 HB2 GLU 98 2HB GLU 98 1.243 -15.308 -11.895 732 HB3 GLU 98 3HB GLU 98 2.650 -16.356 -11.778 733 HG2 GLU 98 2HG GLU 98 1.507 -17.582 -10.337 734 HG3 GLU 98 3HG GLU 98 1.646 -16.248 -9.192 735 H GLU 99 H GLU 99 5.112 -13.668 -11.204 736 HA GLU 99 HA GLU 99 6.498 -15.752 -9.655 737 HB2 GLU 99 2HB GLU 99 7.118 -15.874 -11.960 738 HB3 GLU 99 3HB GLU 99 7.372 -14.137 -12.048 739 HG2 GLU 99 2HG GLU 99 9.459 -15.472 -11.980 740 HG3 GLU 99 3HG GLU 99 9.325 -14.276 -10.692 741 H GLN 100 H GLN 100 5.995 -12.354 -10.010 742 HA GLN 100 HA GLN 100 8.117 -11.786 -8.058 743 HB2 GLN 100 2HB GLN 100 6.717 -10.079 -10.098 744 HB3 GLN 100 3HB GLN 100 7.595 -9.357 -8.756 745 HG2 GLN 100 2HG GLN 100 9.636 -10.472 -9.479 746 HG3 GLN 100 3HG GLN 100 8.761 -11.220 -10.813 747 HE21 GLN 100 2HE2 GLN 100 10.033 -8.571 -12.702 748 HE22 GLN 100 1HE2 GLN 100 10.152 -10.249 -12.308 749 H LEU 101 H LEU 101 4.683 -11.621 -8.633 750 HA LEU 101 HA LEU 101 4.144 -10.054 -6.270 751 HB2 LEU 101 2HB LEU 101 2.740 -9.928 -8.301 752 HB3 LEU 101 3HB LEU 101 2.248 -11.599 -8.034 753 HG LEU 101 HG LEU 101 1.493 -10.572 -5.689 754 HD11 LEU 101 1HD1 LEU 101 2.166 -8.332 -6.008 755 HD12 LEU 101 2HD1 LEU 101 0.414 -8.348 -6.209 756 HD13 LEU 101 3HD1 LEU 101 1.464 -8.271 -7.624 757 HD21 LEU 101 3HD2 LEU 101 0.149 -10.877 -8.312 758 HD22 LEU 101 1HD2 LEU 101 -0.727 -10.012 -7.049 759 HD23 LEU 101 2HD2 LEU 101 -0.180 -11.665 -6.768 760 H LYS 102 H LYS 102 4.428 -13.395 -7.103 761 HA LYS 102 HA LYS 102 3.116 -14.270 -4.647 762 HB2 LYS 102 2HB LYS 102 2.570 -15.604 -6.539 763 HB3 LYS 102 3HB LYS 102 4.256 -15.742 -7.018 764 HG2 LYS 102 2HG LYS 102 3.521 -16.800 -4.354 765 HG3 LYS 102 3HG LYS 102 2.951 -17.690 -5.768 766 HD2 LYS 102 2HD LYS 102 5.760 -16.871 -5.917 767 HD3 LYS 102 3HD LYS 102 5.404 -17.990 -4.599 768 HE2 LYS 102 2HE LYS 102 4.133 -18.728 -7.118 769 HE3 LYS 102 3HE LYS 102 5.892 -18.678 -7.217 770 HZ1 LYS 102 3HZ LYS 102 4.879 -19.992 -4.860 771 HZ2 LYS 102 1HZ LYS 102 6.088 -20.482 -5.937 772 HZ3 LYS 102 2HZ LYS 102 4.462 -20.766 -6.305 773 H ALA 103 H ALA 103 6.277 -13.767 -5.966 774 HA ALA 103 HA ALA 103 7.682 -15.402 -4.081 775 HB1 ALA 103 1HB ALA 103 8.573 -14.805 -6.319 776 HB2 ALA 103 2HB ALA 103 8.769 -13.145 -5.756 777 HB3 ALA 103 3HB ALA 103 9.685 -14.447 -4.997 778 H GLN 104 H GLN 104 6.446 -12.170 -4.107 779 HA GLN 104 HA GLN 104 7.904 -11.563 -1.625 780 HB2 GLN 104 2HB GLN 104 6.415 -9.573 -3.329 781 HB3 GLN 104 3HB GLN 104 7.613 -9.250 -2.083 782 HG2 GLN 104 2HG GLN 104 9.362 -10.160 -3.467 783 HG3 GLN 104 3HG GLN 104 8.187 -10.634 -4.693 784 HE21 GLN 104 2HE2 GLN 104 9.671 -7.552 -5.916 785 HE22 GLN 104 1HE2 GLN 104 10.126 -9.196 -5.644 786 H ALA 105 H ALA 105 5.363 -13.160 -2.089 787 HA ALA 105 HA ALA 105 3.659 -11.637 -0.227 788 HB1 ALA 105 1HB ALA 105 2.461 -11.696 -2.253 789 HB2 ALA 105 2HB ALA 105 2.867 -13.390 -2.535 790 HB3 ALA 105 3HB ALA 105 1.746 -12.955 -1.245 791 H GLY 106 H GLY 106 5.825 -13.668 0.214 792 HA2 GLY 106 2HA GLY 106 5.391 -14.909 2.419 793 HA3 GLY 106 3HA GLY 106 4.233 -15.814 1.456 794 H GLY 107 H GLY 107 5.578 -16.226 -0.885 795 HA2 GLY 107 2HA GLY 107 7.555 -17.170 -1.797 796 HA3 GLY 107 3HA GLY 107 8.148 -17.439 -0.165 797 H THR 108 H THR 108 5.339 -18.414 -2.138 798 HA THR 108 HA THR 108 4.412 -20.456 -2.542 799 HB THR 108 HB THR 108 6.768 -21.873 -1.356 800 HG1 THR 108 HG1 THR 108 8.031 -20.777 -2.651 801 HG21 THR 108 3HG2 THR 108 6.055 -22.814 -3.915 802 HG22 THR 108 1HG2 THR 108 4.548 -22.516 -3.050 803 HG23 THR 108 2HG2 THR 108 5.764 -23.590 -2.358 804 H ASN 109 H ASN 109 3.218 -19.490 -0.537 805 HA ASN 109 HA ASN 109 2.126 -19.840 1.429 806 HB2 ASN 109 2HB ASN 109 2.805 -22.693 0.696 807 HB3 ASN 109 3HB ASN 109 1.730 -22.258 2.021 808 HD21 ASN 109 2HD2 ASN 109 0.164 -22.749 -1.505 809 HD22 ASN 109 1HD2 ASN 109 1.609 -23.464 -0.884 810 H GLU 110 H GLU 110 4.960 -19.261 1.561 811 HA GLU 110 HA GLU 110 6.619 -19.100 3.108 812 HB2 GLU 110 2HB GLU 110 4.366 -18.919 4.539 813 HB3 GLU 110 3HB GLU 110 4.995 -20.409 5.227 814 HG2 GLU 110 2HG GLU 110 7.200 -18.984 5.428 815 HG3 GLU 110 3HG GLU 110 6.057 -17.643 5.395 Start of MODEL 10 1 H1 MET 1 H MET 1 3.579 -1.728 -0.021 2 HA MET 1 HA MET 1 2.957 0.300 -0.975 3 HB2 MET 1 2HB MET 1 5.262 -0.121 -2.885 4 HB3 MET 1 3HB MET 1 4.272 1.327 -2.757 5 HG2 MET 1 2HG MET 1 5.963 0.257 -0.515 6 HG3 MET 1 3HG MET 1 6.510 1.471 -1.668 7 HE1 MET 1 3HE MET 1 5.855 4.522 0.028 8 HE2 MET 1 1HE MET 1 6.733 3.516 -1.124 9 HE3 MET 1 2HE MET 1 5.190 4.237 -1.581 10 H ILE 2 H ILE 2 1.295 0.518 -2.373 11 HA ILE 2 HA ILE 2 1.059 -1.481 -4.526 12 HB ILE 2 HB ILE 2 -1.441 -1.313 -4.161 13 HG12 ILE 2 2HG1 ILE 2 -0.918 -0.528 -1.344 14 HG13 ILE 2 3HG1 ILE 2 -0.884 0.760 -2.543 15 HG21 ILE 2 1HG2 ILE 2 0.473 -2.954 -3.028 16 HG22 ILE 2 2HG2 ILE 2 -0.557 -2.504 -1.670 17 HG23 ILE 2 3HG2 ILE 2 -1.262 -3.262 -3.097 18 HD11 ILE 2 3HD1 ILE 2 -3.152 -0.095 -3.295 19 HD12 ILE 2 1HD1 ILE 2 -3.161 -1.042 -1.807 20 HD13 ILE 2 2HD1 ILE 2 -3.076 0.718 -1.732 21 HA PRO 3 HA PRO 3 0.740 2.855 -6.227 22 HB2 PRO 3 2HB PRO 3 2.552 2.479 -8.213 23 HB3 PRO 3 3HB PRO 3 3.004 3.003 -6.587 24 HG2 PRO 3 2HG PRO 3 3.124 0.267 -7.797 25 HG3 PRO 3 3HG PRO 3 4.316 1.093 -6.777 26 HD2 PRO 3 2HD PRO 3 2.607 -0.769 -5.805 27 HD3 PRO 3 3HD PRO 3 3.179 0.602 -4.833 28 H SER 4 H SER 4 -0.554 3.403 -7.914 29 HA SER 4 HA SER 4 -2.038 3.171 -9.624 30 HB2 SER 4 2HB SER 4 0.190 1.343 -10.437 31 HB3 SER 4 3HB SER 4 -1.301 1.348 -11.378 32 HG SER 4 HG SER 4 -0.714 3.175 -12.216 33 H PHE 5 H PHE 5 -2.434 1.652 -7.188 34 HA PHE 5 HA PHE 5 -3.700 -0.035 -6.320 35 HB2 PHE 5 2HB PHE 5 -5.176 0.261 -8.945 36 HB3 PHE 5 3HB PHE 5 -5.818 -0.443 -7.464 37 HD1 PHE 5 HD1 PHE 5 -4.773 2.673 -9.103 38 HD2 PHE 5 HD2 PHE 5 -6.593 0.929 -5.673 39 HE1 PHE 5 HE1 PHE 5 -5.569 4.893 -8.401 40 HE2 PHE 5 HE2 PHE 5 -7.392 3.146 -4.966 41 HZ PHE 5 HZ PHE 5 -6.881 5.131 -6.330 42 H ALA 6 H ALA 6 -2.096 -1.647 -6.342 43 HA ALA 6 HA ALA 6 -1.238 -3.704 -6.801 44 HB1 ALA 6 1HB ALA 6 -4.018 -3.825 -7.599 45 HB2 ALA 6 2HB ALA 6 -3.015 -4.928 -8.542 46 HB3 ALA 6 3HB ALA 6 -3.025 -5.031 -6.781 47 HA PRO 7 HA PRO 7 0.446 -2.199 -10.817 48 HB2 PRO 7 2HB PRO 7 3.042 -2.510 -10.088 49 HB3 PRO 7 3HB PRO 7 2.106 -1.059 -9.710 50 HG2 PRO 7 2HG PRO 7 2.739 -3.411 -7.969 51 HG3 PRO 7 3HG PRO 7 2.767 -1.683 -7.570 52 HD2 PRO 7 2HD PRO 7 0.712 -3.305 -6.880 53 HD3 PRO 7 3HD PRO 7 0.484 -1.588 -7.268 54 H GLY 8 H GLY 8 0.584 -3.596 -12.453 55 HA2 GLY 8 2HA GLY 8 1.882 -5.407 -13.474 56 HA3 GLY 8 3HA GLY 8 1.790 -6.242 -11.930 57 H THR 9 H THR 9 -1.026 -4.588 -13.021 58 HA THR 9 HA THR 9 -2.363 -7.160 -13.392 59 HB THR 9 HB THR 9 -3.798 -4.528 -13.442 60 HG1 THR 9 HG1 THR 9 -3.959 -4.874 -11.074 61 HG21 THR 9 3HG2 THR 9 -5.555 -5.884 -12.346 62 HG22 THR 9 1HG2 THR 9 -4.501 -7.293 -12.450 63 HG23 THR 9 2HG2 THR 9 -5.090 -6.522 -13.923 64 H LEU 10 H LEU 10 -3.117 -7.868 -15.300 65 HA LEU 10 HA LEU 10 -2.556 -6.250 -17.664 66 HB2 LEU 10 2HB LEU 10 -1.918 -8.737 -17.309 67 HB3 LEU 10 3HB LEU 10 -3.604 -9.054 -17.714 68 HG LEU 10 HG LEU 10 -1.691 -7.580 -19.518 69 HD11 LEU 10 1HD1 LEU 10 -2.588 -10.418 -19.877 70 HD12 LEU 10 2HD1 LEU 10 -1.119 -10.016 -18.990 71 HD13 LEU 10 3HD1 LEU 10 -1.277 -9.559 -20.686 72 HD21 LEU 10 3HD2 LEU 10 -3.435 -8.239 -21.217 73 HD22 LEU 10 1HD2 LEU 10 -3.927 -7.013 -20.049 74 HD23 LEU 10 2HD2 LEU 10 -4.471 -8.680 -19.859 75 H VAL 11 H VAL 11 -4.106 -5.023 -18.483 76 HA VAL 11 HA VAL 11 -6.892 -5.975 -18.318 77 HB VAL 11 HB VAL 11 -7.564 -3.554 -18.316 78 HG11 VAL 11 1HG1 VAL 11 -6.243 -3.468 -15.832 79 HG12 VAL 11 2HG1 VAL 11 -7.890 -4.007 -16.167 80 HG13 VAL 11 3HG1 VAL 11 -6.561 -5.168 -16.176 81 HG21 VAL 11 3HG2 VAL 11 -5.581 -2.510 -19.143 82 HG22 VAL 11 1HG2 VAL 11 -5.827 -1.952 -17.488 83 HG23 VAL 11 2HG2 VAL 11 -4.612 -3.183 -17.832 84 H TRP 12 H TRP 12 -8.221 -4.384 -19.926 85 HA TRP 12 HA TRP 12 -6.833 -4.575 -22.519 86 HB2 TRP 12 2HB TRP 12 -9.575 -5.348 -21.670 87 HB3 TRP 12 3HB TRP 12 -9.405 -4.644 -23.276 88 HD1 TRP 12 HD1 TRP 12 -6.473 -6.720 -22.162 89 HE1 TRP 12 HE1 TRP 12 -6.470 -8.959 -23.432 90 HE3 TRP 12 HE3 TRP 12 -11.104 -6.440 -24.310 91 HZ2 TRP 12 HZ2 TRP 12 -8.202 -10.414 -25.121 92 HZ3 TRP 12 HZ3 TRP 12 -11.855 -8.297 -25.739 93 HH2 TRP 12 HH2 TRP 12 -10.432 -10.242 -26.135 94 H LEU 13 H LEU 13 -6.756 -2.808 -23.781 95 HA LEU 13 HA LEU 13 -8.251 -0.435 -22.881 96 HB2 LEU 13 2HB LEU 13 -5.637 -0.572 -22.805 97 HB3 LEU 13 3HB LEU 13 -5.772 -0.240 -24.531 98 HG LEU 13 HG LEU 13 -7.367 1.659 -23.138 99 HD11 LEU 13 1HD1 LEU 13 -5.278 2.746 -22.007 100 HD12 LEU 13 2HD1 LEU 13 -4.717 1.078 -21.901 101 HD13 LEU 13 3HD1 LEU 13 -6.238 1.546 -21.142 102 HD21 LEU 13 3HD2 LEU 13 -6.265 1.887 -25.349 103 HD22 LEU 13 1HD2 LEU 13 -4.712 2.005 -24.523 104 HD23 LEU 13 2HD2 LEU 13 -5.946 3.238 -24.261 105 H LYS 14 H LYS 14 -9.842 0.107 -24.205 106 HA LYS 14 HA LYS 14 -9.614 -0.574 -27.056 107 HB2 LYS 14 2HB LYS 14 -11.566 -1.417 -25.602 108 HB3 LYS 14 3HB LYS 14 -12.152 0.240 -25.659 109 HG2 LYS 14 2HG LYS 14 -12.289 0.139 -28.077 110 HG3 LYS 14 3HG LYS 14 -11.628 -1.498 -28.062 111 HD2 LYS 14 2HD LYS 14 -13.943 -1.799 -28.268 112 HD3 LYS 14 3HD LYS 14 -13.610 -2.092 -26.559 113 HE2 LYS 14 2HE LYS 14 -15.311 -0.656 -26.233 114 HE3 LYS 14 3HE LYS 14 -14.081 0.571 -26.531 115 HZ1 LYS 14 3HZ LYS 14 -16.410 0.139 -27.965 116 HZ2 LYS 14 1HZ LYS 14 -15.145 -0.337 -28.983 117 HZ3 LYS 14 2HZ LYS 14 -15.165 1.224 -28.330 118 H GLN 15 H GLN 15 -8.741 1.108 -28.110 119 HA GLN 15 HA GLN 15 -9.013 3.813 -27.343 120 HB2 GLN 15 2HB GLN 15 -7.748 2.315 -29.500 121 HB3 GLN 15 3HB GLN 15 -8.390 3.859 -30.043 122 HG2 GLN 15 2HG GLN 15 -7.149 4.940 -28.162 123 HG3 GLN 15 3HG GLN 15 -6.388 3.380 -27.854 124 HE21 GLN 15 2HE2 GLN 15 -4.930 5.822 -30.639 125 HE22 GLN 15 1HE2 GLN 15 -6.144 6.263 -29.492 126 H ASP 16 H ASP 16 -9.917 5.514 -28.833 127 HA ASP 16 HA ASP 16 -12.693 5.133 -29.130 128 HB2 ASP 16 2HB ASP 16 -10.767 7.298 -29.573 129 HB3 ASP 16 3HB ASP 16 -12.136 7.337 -30.682 130 H ARG 17 H ARG 17 -10.136 5.500 -31.585 131 HA ARG 17 HA ARG 17 -11.998 4.505 -33.617 132 HB2 ARG 17 2HB ARG 17 -9.897 6.441 -33.619 133 HB3 ARG 17 3HB ARG 17 -9.475 5.161 -34.749 134 HG2 ARG 17 2HG ARG 17 -12.215 6.326 -34.837 135 HG3 ARG 17 3HG ARG 17 -10.865 7.229 -35.528 136 HD2 ARG 17 2HD ARG 17 -10.296 5.105 -36.801 137 HD3 ARG 17 3HD ARG 17 -11.875 4.504 -36.299 138 HE ARG 17 HE ARG 17 -12.858 5.897 -37.831 139 HH11 ARG 17 1HH1 ARG 17 -9.538 6.841 -37.378 140 HH12 ARG 17 2HH1 ARG 17 -9.544 7.972 -38.690 141 HH21 ARG 17 2HH2 ARG 17 -11.446 8.281 -39.930 142 HH22 ARG 17 1HH2 ARG 17 -12.879 7.384 -39.561 143 H PHE 18 H PHE 18 -9.087 3.682 -31.898 144 HA PHE 18 HA PHE 18 -8.487 1.433 -33.627 145 HB2 PHE 18 2HB PHE 18 -7.098 2.935 -31.574 146 HB3 PHE 18 3HB PHE 18 -6.951 1.202 -31.300 147 HD1 PHE 18 HD1 PHE 18 -7.097 3.161 -34.462 148 HD2 PHE 18 HD2 PHE 18 -4.817 0.604 -31.937 149 HE1 PHE 18 HE1 PHE 18 -5.335 3.046 -36.176 150 HE2 PHE 18 HE2 PHE 18 -3.051 0.485 -33.646 151 HZ PHE 18 HZ PHE 18 -3.308 1.707 -35.769 152 HA PRO 19 HA PRO 19 -10.683 -1.679 -31.449 153 HB2 PRO 19 2HB PRO 19 -8.981 -3.786 -31.627 154 HB3 PRO 19 3HB PRO 19 -9.897 -3.172 -33.008 155 HG2 PRO 19 2HG PRO 19 -7.046 -2.665 -32.250 156 HG3 PRO 19 3HG PRO 19 -7.735 -3.003 -33.848 157 HD2 PRO 19 2HD PRO 19 -7.093 -0.500 -33.038 158 HD3 PRO 19 3HD PRO 19 -8.446 -0.830 -34.140 159 H TRP 20 H TRP 20 -10.008 -3.669 -29.845 160 HA TRP 20 HA TRP 20 -8.810 -2.315 -27.538 161 HB2 TRP 20 2HB TRP 20 -9.887 -4.207 -26.245 162 HB3 TRP 20 3HB TRP 20 -11.003 -3.117 -27.063 163 HD1 TRP 20 HD1 TRP 20 -9.756 -6.717 -27.111 164 HE1 TRP 20 HE1 TRP 20 -11.295 -8.110 -28.633 165 HE3 TRP 20 HE3 TRP 20 -12.542 -2.935 -29.129 166 HZ2 TRP 20 HZ2 TRP 20 -13.410 -7.665 -30.448 167 HZ3 TRP 20 HZ3 TRP 20 -14.303 -3.504 -30.750 168 HH2 TRP 20 HH2 TRP 20 -14.726 -5.820 -31.396 169 H TRP 21 H TRP 21 -6.810 -2.806 -26.954 170 HA TRP 21 HA TRP 21 -5.768 -5.483 -27.616 171 HB2 TRP 21 2HB TRP 21 -4.385 -2.805 -27.764 172 HB3 TRP 21 3HB TRP 21 -3.502 -4.329 -27.747 173 HD1 TRP 21 HD1 TRP 21 -4.464 -1.916 -30.153 174 HE1 TRP 21 HE1 TRP 21 -4.834 -2.924 -32.492 175 HE3 TRP 21 HE3 TRP 21 -4.859 -6.847 -28.860 176 HZ2 TRP 21 HZ2 TRP 21 -5.241 -5.472 -33.638 177 HZ3 TRP 21 HZ3 TRP 21 -5.239 -8.505 -30.637 178 HH2 TRP 21 HH2 TRP 21 -5.427 -7.830 -32.976 179 HA PRO 22 HA PRO 22 -4.762 -6.003 -23.375 180 HB2 PRO 22 2HB PRO 22 -2.518 -7.522 -23.549 181 HB3 PRO 22 3HB PRO 22 -4.132 -8.147 -23.911 182 HG2 PRO 22 2HG PRO 22 -2.004 -7.193 -25.788 183 HG3 PRO 22 3HG PRO 22 -3.056 -8.615 -25.919 184 HD2 PRO 22 2HD PRO 22 -3.535 -6.319 -27.273 185 HD3 PRO 22 3HD PRO 22 -4.838 -7.381 -26.702 186 H GLY 23 H GLY 23 -3.501 -5.158 -21.741 187 HA2 GLY 23 2HA GLY 23 -0.913 -4.000 -22.300 188 HA3 GLY 23 3HA GLY 23 -2.176 -2.815 -22.005 189 H PHE 24 H PHE 24 0.324 -3.908 -20.523 190 HA PHE 24 HA PHE 24 -0.832 -4.805 -18.023 191 HB2 PHE 24 2HB PHE 24 2.047 -4.029 -18.359 192 HB3 PHE 24 3HB PHE 24 1.346 -5.269 -17.324 193 HD1 PHE 24 HD1 PHE 24 0.077 -7.182 -18.679 194 HD2 PHE 24 HD2 PHE 24 3.193 -4.722 -20.215 195 HE1 PHE 24 HE1 PHE 24 0.580 -8.887 -20.380 196 HE2 PHE 24 HE2 PHE 24 3.701 -6.423 -21.918 197 HZ PHE 24 HZ PHE 24 2.393 -8.508 -22.003 198 H VAL 25 H VAL 25 -1.352 -3.554 -16.351 199 HA VAL 25 HA VAL 25 -1.087 -0.699 -16.561 200 HB VAL 25 HB VAL 25 -2.168 -2.389 -14.301 201 HG11 VAL 25 1HG1 VAL 25 -1.899 -0.457 -13.168 202 HG12 VAL 25 2HG1 VAL 25 -1.794 0.515 -14.638 203 HG13 VAL 25 3HG1 VAL 25 -3.369 0.007 -14.026 204 HG21 VAL 25 3HG2 VAL 25 -4.050 -0.799 -15.850 205 HG22 VAL 25 1HG2 VAL 25 -3.220 -2.015 -16.821 206 HG23 VAL 25 2HG2 VAL 25 -4.121 -2.498 -15.383 207 H MET 26 H MET 26 0.662 0.390 -15.974 208 HA MET 26 HA MET 26 2.134 -0.471 -13.586 209 HB2 MET 26 2HB MET 26 3.425 0.382 -16.183 210 HB3 MET 26 3HB MET 26 4.271 -0.011 -14.693 211 HG2 MET 26 2HG MET 26 2.619 -2.209 -15.297 212 HG3 MET 26 3HG MET 26 3.422 -1.738 -16.794 213 HE1 MET 26 3HE MET 26 4.663 -4.590 -14.061 214 HE2 MET 26 1HE MET 26 4.688 -3.246 -12.919 215 HE3 MET 26 2HE MET 26 3.251 -3.545 -13.896 216 H ASP 27 H ASP 27 2.925 1.162 -12.317 217 HA ASP 27 HA ASP 27 1.838 3.795 -12.813 218 HB2 ASP 27 2HB ASP 27 2.432 4.305 -10.567 219 HB3 ASP 27 3HB ASP 27 1.845 2.644 -10.554 220 HA PRO 28 HA PRO 28 5.451 5.617 -14.533 221 HB2 PRO 28 2HB PRO 28 5.047 8.200 -13.804 222 HB3 PRO 28 3HB PRO 28 4.114 7.405 -15.077 223 HG2 PRO 28 2HG PRO 28 3.381 7.894 -12.216 224 HG3 PRO 28 3HG PRO 28 2.388 8.083 -13.674 225 HD2 PRO 28 2HD PRO 28 2.202 5.921 -12.054 226 HD3 PRO 28 3HD PRO 28 1.930 5.828 -13.806 227 H ASP 29 H ASP 29 4.656 6.479 -11.183 228 HA ASP 29 HA ASP 29 7.168 5.788 -10.157 229 HB2 ASP 29 2HB ASP 29 7.468 8.078 -11.541 230 HB3 ASP 29 3HB ASP 29 6.979 8.743 -9.986 231 H GLU 30 H GLU 30 4.650 5.225 -9.342 232 HA GLU 30 HA GLU 30 3.350 5.127 -7.477 233 HB2 GLU 30 2HB GLU 30 5.407 6.856 -6.109 234 HB3 GLU 30 3HB GLU 30 4.289 5.719 -5.368 235 HG2 GLU 30 2HG GLU 30 5.530 3.947 -6.783 236 HG3 GLU 30 3HG GLU 30 6.789 5.175 -6.908 237 H VAL 31 H VAL 31 1.960 6.537 -8.851 238 HA VAL 31 HA VAL 31 1.777 9.301 -7.895 239 HB VAL 31 HB VAL 31 0.107 9.567 -9.749 240 HG11 VAL 31 1HG1 VAL 31 2.963 8.825 -10.211 241 HG12 VAL 31 2HG1 VAL 31 1.927 9.226 -11.581 242 HG13 VAL 31 3HG1 VAL 31 2.186 10.406 -10.296 243 HG21 VAL 31 3HG2 VAL 31 0.213 6.768 -9.774 244 HG22 VAL 31 1HG2 VAL 31 -0.666 7.819 -10.884 245 HG23 VAL 31 2HG2 VAL 31 0.969 7.290 -11.279 246 H ARG 32 H ARG 32 0.817 6.654 -6.593 247 HA ARG 32 HA ARG 32 -2.041 7.089 -6.404 248 HB2 ARG 32 2HB ARG 32 -1.441 4.810 -6.382 249 HB3 ARG 32 3HB ARG 32 -0.144 5.075 -5.225 250 HG2 ARG 32 2HG ARG 32 -2.032 3.928 -4.204 251 HG3 ARG 32 3HG ARG 32 -1.772 5.512 -3.472 252 HD2 ARG 32 2HD ARG 32 -3.552 6.418 -4.957 253 HD3 ARG 32 3HD ARG 32 -3.862 4.775 -5.516 254 HE ARG 32 HE ARG 32 -4.701 5.941 -3.040 255 HH11 ARG 32 1HH1 ARG 32 -3.848 2.958 -4.620 256 HH12 ARG 32 2HH1 ARG 32 -4.778 1.970 -3.543 257 HH21 ARG 32 2HH2 ARG 32 -5.963 2.934 -1.835 258 HH22 ARG 32 1HH2 ARG 32 -5.930 4.651 -1.616 259 H ASP 33 H ASP 33 0.841 7.630 -4.478 260 HA ASP 33 HA ASP 33 -0.806 8.781 -2.333 261 HB2 ASP 33 2HB ASP 33 1.609 7.217 -2.349 262 HB3 ASP 33 3HB ASP 33 1.909 8.763 -1.560 263 H ILE 34 H ILE 34 1.692 9.502 -4.671 264 HA ILE 34 HA ILE 34 1.678 12.312 -3.787 265 HB ILE 34 HB ILE 34 3.763 10.948 -5.492 266 HG12 ILE 34 2HG1 ILE 34 5.045 11.540 -3.190 267 HG13 ILE 34 3HG1 ILE 34 3.438 11.200 -2.557 268 HG21 ILE 34 1HG2 ILE 34 3.184 13.672 -5.010 269 HG22 ILE 34 2HG2 ILE 34 4.676 13.290 -4.154 270 HG23 ILE 34 3HG2 ILE 34 4.551 12.984 -5.886 271 HD11 ILE 34 3HD1 ILE 34 4.090 9.157 -4.403 272 HD12 ILE 34 1HD1 ILE 34 5.466 9.380 -3.323 273 HD13 ILE 34 2HD1 ILE 34 3.868 9.039 -2.657 274 H THR 35 H THR 35 0.302 13.469 -4.965 275 HA THR 35 HA THR 35 -0.029 12.842 -7.813 276 HB THR 35 HB THR 35 -2.032 14.332 -7.683 277 HG1 THR 35 HG1 THR 35 -1.194 15.434 -5.723 278 HG21 THR 35 3HG2 THR 35 -3.434 12.698 -6.755 279 HG22 THR 35 1HG2 THR 35 -2.224 12.200 -5.574 280 HG23 THR 35 2HG2 THR 35 -2.013 11.794 -7.277 281 H LEU 36 H LEU 36 1.473 13.908 -8.969 282 HA LEU 36 HA LEU 36 1.812 16.789 -8.448 283 HB2 LEU 36 2HB LEU 36 3.737 14.742 -9.516 284 HB3 LEU 36 3HB LEU 36 4.009 16.475 -9.678 285 HG LEU 36 HG LEU 36 3.751 14.994 -7.061 286 HD11 LEU 36 1HD1 LEU 36 5.832 14.694 -8.658 287 HD12 LEU 36 2HD1 LEU 36 6.022 14.874 -6.914 288 HD13 LEU 36 3HD1 LEU 36 6.278 16.258 -7.976 289 HD21 LEU 36 3HD2 LEU 36 3.501 17.741 -7.701 290 HD22 LEU 36 1HD2 LEU 36 5.040 17.522 -6.867 291 HD23 LEU 36 2HD2 LEU 36 3.542 16.984 -6.108 292 HA PRO 37 HA PRO 37 0.262 17.700 -12.453 293 HB2 PRO 37 2HB PRO 37 1.710 19.909 -13.081 294 HB3 PRO 37 3HB PRO 37 0.417 19.918 -11.875 295 HG2 PRO 37 2HG PRO 37 3.379 19.742 -11.475 296 HG3 PRO 37 3HG PRO 37 2.184 20.699 -10.581 297 HD2 PRO 37 2HD PRO 37 3.172 18.359 -9.643 298 HD3 PRO 37 3HD PRO 37 1.517 18.903 -9.299 299 H GLU 38 H GLU 38 0.629 16.869 -14.412 300 HA GLU 38 HA GLU 38 3.095 17.118 -15.797 301 HB2 GLU 38 2HB GLU 38 2.820 14.848 -14.061 302 HB3 GLU 38 3HB GLU 38 2.862 14.301 -15.731 303 HG2 GLU 38 2HG GLU 38 4.905 15.995 -15.824 304 HG3 GLU 38 3HG GLU 38 4.961 15.605 -14.106 305 H GLY 39 H GLY 39 0.565 14.602 -15.644 306 HA2 GLY 39 2HA GLY 39 -1.306 15.054 -17.329 307 HA3 GLY 39 3HA GLY 39 0.011 15.145 -18.489 308 H SER 40 H SER 40 1.030 12.910 -16.375 309 HA SER 40 HA SER 40 -0.434 10.682 -17.602 310 HB2 SER 40 2HB SER 40 1.890 9.519 -17.721 311 HB3 SER 40 3HB SER 40 1.454 10.672 -18.983 312 HG SER 40 HG SER 40 3.544 10.747 -17.370 313 H ASP 41 H ASP 41 -1.368 9.747 -15.902 314 HA ASP 41 HA ASP 41 0.178 9.440 -13.421 315 HB2 ASP 41 2HB ASP 41 -1.768 9.573 -12.230 316 HB3 ASP 41 3HB ASP 41 -2.270 10.486 -13.651 317 H VAL 42 H VAL 42 -1.452 7.700 -15.959 318 HA VAL 42 HA VAL 42 -0.603 5.167 -14.712 319 HB VAL 42 HB VAL 42 -3.001 5.587 -16.502 320 HG11 VAL 42 1HG1 VAL 42 -2.225 3.424 -16.946 321 HG12 VAL 42 2HG1 VAL 42 -1.780 3.141 -15.262 322 HG13 VAL 42 3HG1 VAL 42 -3.480 3.197 -15.729 323 HG21 VAL 42 3HG2 VAL 42 -4.118 6.115 -14.655 324 HG22 VAL 42 1HG2 VAL 42 -3.737 4.521 -14.003 325 HG23 VAL 42 2HG2 VAL 42 -2.670 5.886 -13.674 326 H TRP 43 H TRP 43 0.526 3.748 -15.946 327 HA TRP 43 HA TRP 43 1.052 4.538 -18.737 328 HB2 TRP 43 2HB TRP 43 2.896 4.486 -16.717 329 HB3 TRP 43 3HB TRP 43 3.093 2.881 -17.415 330 HD1 TRP 43 HD1 TRP 43 2.392 4.055 -20.465 331 HE1 TRP 43 HE1 TRP 43 4.316 5.231 -21.706 332 HE3 TRP 43 HE3 TRP 43 5.388 5.146 -16.469 333 HZ2 TRP 43 HZ2 TRP 43 6.778 6.458 -21.074 334 HZ3 TRP 43 HZ3 TRP 43 7.511 6.322 -16.873 335 HH2 TRP 43 HH2 TRP 43 8.190 6.963 -19.129 336 H VAL 44 H VAL 44 0.082 3.168 -20.074 337 HA VAL 44 HA VAL 44 -0.281 0.375 -19.276 338 HB VAL 44 HB VAL 44 -1.453 1.883 -21.618 339 HG11 VAL 44 1HG1 VAL 44 -2.919 -0.056 -21.878 340 HG12 VAL 44 2HG1 VAL 44 -1.224 -0.505 -22.073 341 HG13 VAL 44 3HG1 VAL 44 -2.069 -0.879 -20.571 342 HG21 VAL 44 3HG2 VAL 44 -2.632 2.792 -19.898 343 HG22 VAL 44 1HG2 VAL 44 -3.565 1.308 -20.098 344 HG23 VAL 44 2HG2 VAL 44 -2.345 1.420 -18.829 345 H CYS 45 H CYS 45 1.214 -1.033 -19.887 346 HA CYS 45 HA CYS 45 2.822 -0.485 -22.270 347 HB2 CYS 45 2HB CYS 45 3.263 -2.666 -20.229 348 HB3 CYS 45 3HB CYS 45 4.414 -2.052 -21.411 349 HG CYS 45 HG CYS 45 3.234 0.174 -19.165 350 H CYS 46 H CYS 46 1.631 -1.146 -23.996 351 HA CYS 46 HA CYS 46 0.136 -3.592 -23.990 352 HB2 CYS 46 2HB CYS 46 0.869 -1.657 -26.191 353 HB3 CYS 46 3HB CYS 46 -0.129 -3.083 -26.449 354 HG CYS 46 HG CYS 46 -1.794 -0.846 -26.349 355 H LEU 47 H LEU 47 0.499 -5.119 -25.955 356 HA LEU 47 HA LEU 47 2.992 -6.403 -25.558 357 HB2 LEU 47 2HB LEU 47 2.096 -8.122 -26.704 358 HB3 LEU 47 3HB LEU 47 0.601 -7.233 -26.421 359 HG LEU 47 HG LEU 47 2.239 -7.152 -28.955 360 HD11 LEU 47 1HD1 LEU 47 0.824 -9.256 -28.232 361 HD12 LEU 47 2HD1 LEU 47 0.809 -8.663 -29.893 362 HD13 LEU 47 3HD1 LEU 47 -0.515 -8.258 -28.801 363 HD21 LEU 47 3HD2 LEU 47 1.173 -5.215 -29.270 364 HD22 LEU 47 1HD2 LEU 47 0.076 -5.496 -27.918 365 HD23 LEU 47 2HD2 LEU 47 -0.277 -6.193 -29.499 366 HA PRO 48 HA PRO 48 5.621 -4.634 -28.593 367 HB2 PRO 48 2HB PRO 48 6.970 -6.801 -29.520 368 HB3 PRO 48 3HB PRO 48 7.240 -6.116 -27.913 369 HG2 PRO 48 2HG PRO 48 5.592 -8.485 -28.710 370 HG3 PRO 48 3HG PRO 48 6.698 -8.303 -27.336 371 HD2 PRO 48 2HD PRO 48 4.011 -8.087 -27.082 372 HD3 PRO 48 3HD PRO 48 5.143 -7.163 -26.074 373 H ARG 49 H ARG 49 4.572 -3.815 -30.328 374 HA ARG 49 HA ARG 49 4.417 -5.421 -32.712 375 HB2 ARG 49 2HB ARG 49 2.071 -5.207 -33.123 376 HB3 ARG 49 3HB ARG 49 2.263 -5.904 -31.521 377 HG2 ARG 49 2HG ARG 49 0.698 -4.360 -31.013 378 HG3 ARG 49 3HG ARG 49 2.122 -3.332 -30.835 379 HD2 ARG 49 2HD ARG 49 1.390 -1.996 -32.449 380 HD3 ARG 49 3HD ARG 49 1.338 -3.351 -33.575 381 HE ARG 49 HE ARG 49 -0.932 -3.385 -31.889 382 HH11 ARG 49 1HH1 ARG 49 0.442 -1.686 -34.599 383 HH12 ARG 49 2HH1 ARG 49 -1.093 -1.209 -35.246 384 HH21 ARG 49 2HH2 ARG 49 -3.027 -1.821 -34.181 385 HH22 ARG 49 1HH2 ARG 49 -2.959 -2.763 -32.730 386 H ASP 50 H ASP 50 3.861 -2.379 -31.059 387 HA ASP 50 HA ASP 50 4.249 -0.954 -33.607 388 HB2 ASP 50 2HB ASP 50 2.386 -0.571 -31.462 389 HB3 ASP 50 3HB ASP 50 3.416 0.853 -31.588 390 H SER 51 H SER 51 6.153 -2.094 -31.422 391 HA SER 51 HA SER 51 8.259 -1.570 -30.723 392 HB2 SER 51 2HB SER 51 8.193 -0.253 -32.989 393 HB3 SER 51 3HB SER 51 8.083 1.164 -31.945 394 HG SER 51 HG SER 51 10.254 -0.091 -32.631 395 H LEU 52 H LEU 52 6.759 -1.474 -28.727 396 HA LEU 52 HA LEU 52 6.401 -0.598 -26.659 397 HB2 LEU 52 2HB LEU 52 8.734 0.843 -27.672 398 HB3 LEU 52 3HB LEU 52 7.830 1.729 -26.446 399 HG LEU 52 HG LEU 52 9.639 0.510 -25.415 400 HD11 LEU 52 1HD1 LEU 52 7.775 -1.286 -24.314 401 HD12 LEU 52 2HD1 LEU 52 6.878 0.163 -24.765 402 HD13 LEU 52 3HD1 LEU 52 8.270 0.287 -23.689 403 HD21 LEU 52 3HD2 LEU 52 9.727 -1.248 -27.229 404 HD22 LEU 52 1HD2 LEU 52 8.390 -2.044 -26.398 405 HD23 LEU 52 2HD2 LEU 52 9.936 -1.830 -25.576 406 H THR 53 H THR 53 4.238 -0.140 -27.467 407 HA THR 53 HA THR 53 3.690 2.645 -28.152 408 HB THR 53 HB THR 53 1.393 0.835 -27.845 409 HG1 THR 53 HG1 THR 53 1.981 -0.627 -29.295 410 HG21 THR 53 3HG2 THR 53 1.998 3.191 -29.182 411 HG22 THR 53 1HG2 THR 53 0.531 2.230 -29.365 412 HG23 THR 53 2HG2 THR 53 1.890 1.985 -30.463 413 H LEU 54 H LEU 54 4.622 2.253 -25.541 414 HA LEU 54 HA LEU 54 2.735 1.906 -23.549 415 HB2 LEU 54 2HB LEU 54 4.904 3.983 -23.427 416 HB3 LEU 54 3HB LEU 54 4.198 3.068 -22.096 417 HG LEU 54 HG LEU 54 5.411 1.284 -24.001 418 HD11 LEU 54 1HD1 LEU 54 6.902 3.732 -23.337 419 HD12 LEU 54 2HD1 LEU 54 7.100 2.605 -24.679 420 HD13 LEU 54 3HD1 LEU 54 7.772 2.217 -23.095 421 HD21 LEU 54 3HD2 LEU 54 5.439 1.861 -21.105 422 HD22 LEU 54 1HD2 LEU 54 6.850 1.026 -21.754 423 HD23 LEU 54 2HD2 LEU 54 5.243 0.329 -21.959 424 H SER 55 H SER 55 0.929 2.942 -23.051 425 HA SER 55 HA SER 55 0.524 5.655 -24.101 426 HB2 SER 55 2HB SER 55 -1.113 3.372 -24.129 427 HB3 SER 55 3HB SER 55 -1.851 4.465 -22.958 428 HG SER 55 HG SER 55 -2.408 5.749 -24.527 429 H ALA 56 H ALA 56 0.920 7.225 -22.698 430 HA ALA 56 HA ALA 56 0.371 6.755 -19.845 431 HB1 ALA 56 1HB ALA 56 2.665 7.686 -21.062 432 HB2 ALA 56 2HB ALA 56 1.897 9.151 -20.450 433 HB3 ALA 56 3HB ALA 56 2.264 7.822 -19.350 434 H ALA 57 H ALA 57 -1.168 7.891 -18.841 435 HA ALA 57 HA ALA 57 -2.005 10.485 -19.803 436 HB1 ALA 57 1HB ALA 57 -4.467 9.236 -19.582 437 HB2 ALA 57 2HB ALA 57 -3.674 9.741 -21.074 438 HB3 ALA 57 3HB ALA 57 -3.480 8.089 -20.488 439 H ASN 58 H ASN 58 -3.053 11.698 -18.250 440 HA ASN 58 HA ASN 58 -3.307 10.423 -15.605 441 HB2 ASN 58 2HB ASN 58 -1.500 12.014 -15.570 442 HB3 ASN 58 3HB ASN 58 -2.505 13.246 -16.328 443 HD21 ASN 58 2HD2 ASN 58 -2.668 14.370 -12.980 444 HD22 ASN 58 1HD2 ASN 58 -1.769 14.491 -14.451 445 H SER 59 H SER 59 -5.416 10.022 -15.320 446 HA SER 59 HA SER 59 -7.670 10.313 -15.173 447 HB2 SER 59 2HB SER 59 -6.666 13.098 -14.595 448 HB3 SER 59 3HB SER 59 -8.377 12.682 -14.510 449 HG SER 59 HG SER 59 -7.953 11.276 -12.863 450 H GLU 60 H GLU 60 -6.471 10.473 -17.809 451 HA GLU 60 HA GLU 60 -8.436 12.216 -19.146 452 HB2 GLU 60 2HB GLU 60 -5.575 11.746 -19.636 453 HB3 GLU 60 3HB GLU 60 -6.577 11.684 -21.079 454 HG2 GLU 60 2HG GLU 60 -6.421 13.968 -19.126 455 HG3 GLU 60 3HG GLU 60 -5.686 13.911 -20.727 456 H ASP 61 H ASP 61 -7.055 9.039 -18.899 457 HA ASP 61 HA ASP 61 -8.532 8.051 -21.204 458 HB2 ASP 61 2HB ASP 61 -6.218 7.255 -20.725 459 HB3 ASP 61 3HB ASP 61 -6.814 6.521 -19.239 460 H GLU 62 H GLU 62 -10.644 7.749 -20.902 461 HA GLU 62 HA GLU 62 -11.505 6.020 -18.725 462 HB2 GLU 62 2HB GLU 62 -11.929 8.860 -18.712 463 HB3 GLU 62 3HB GLU 62 -13.477 8.041 -18.865 464 HG2 GLU 62 2HG GLU 62 -11.691 6.908 -16.838 465 HG3 GLU 62 3HG GLU 62 -12.221 8.560 -16.522 466 H GLY 63 H GLY 63 -11.300 6.108 -21.758 467 HA2 GLY 63 2HA GLY 63 -13.940 6.156 -22.803 468 HA3 GLY 63 3HA GLY 63 -12.533 5.446 -23.581 469 H GLN 64 H GLN 64 -12.179 3.261 -23.446 470 HA GLN 64 HA GLN 64 -14.167 1.696 -21.943 471 HB2 GLN 64 2HB GLN 64 -13.446 1.580 -24.822 472 HB3 GLN 64 3HB GLN 64 -13.715 0.045 -24.005 473 HG2 GLN 64 2HG GLN 64 -15.776 2.029 -23.448 474 HG3 GLN 64 3HG GLN 64 -15.640 1.610 -25.155 475 HE21 GLN 64 2HE2 GLN 64 -17.882 -0.952 -24.383 476 HE22 GLN 64 1HE2 GLN 64 -17.653 0.594 -25.119 477 H ILE 65 H ILE 65 -13.296 0.271 -20.596 478 HA ILE 65 HA ILE 65 -10.695 -0.914 -21.234 479 HB ILE 65 HB ILE 65 -10.126 0.927 -19.781 480 HG12 ILE 65 2HG1 ILE 65 -10.025 -1.272 -17.799 481 HG13 ILE 65 3HG1 ILE 65 -9.362 -1.636 -19.389 482 HG21 ILE 65 1HG2 ILE 65 -11.731 1.678 -18.424 483 HG22 ILE 65 2HG2 ILE 65 -12.563 0.124 -18.413 484 HG23 ILE 65 3HG2 ILE 65 -11.219 0.412 -17.308 485 HD11 ILE 65 3HD1 ILE 65 -7.771 0.112 -19.213 486 HD12 ILE 65 1HD1 ILE 65 -8.544 0.753 -17.763 487 HD13 ILE 65 2HD1 ILE 65 -7.717 -0.804 -17.707 488 H ARG 66 H ARG 66 -10.396 -2.981 -20.471 489 HA ARG 66 HA ARG 66 -12.640 -4.162 -18.971 490 HB2 ARG 66 2HB ARG 66 -11.575 -4.866 -21.581 491 HB3 ARG 66 3HB ARG 66 -11.528 -6.229 -20.471 492 HG2 ARG 66 2HG ARG 66 -14.036 -5.220 -20.051 493 HG3 ARG 66 3HG ARG 66 -13.797 -4.953 -21.779 494 HD2 ARG 66 2HD ARG 66 -13.580 -7.207 -22.231 495 HD3 ARG 66 3HD ARG 66 -13.093 -7.596 -20.582 496 HE ARG 66 HE ARG 66 -15.746 -7.549 -21.612 497 HH11 ARG 66 1HH1 ARG 66 -13.855 -6.947 -18.751 498 HH12 ARG 66 2HH1 ARG 66 -15.164 -7.264 -17.661 499 HH21 ARG 66 2HH2 ARG 66 -17.224 -7.845 -18.479 500 HH22 ARG 66 1HH2 ARG 66 -17.477 -7.968 -20.187 501 H TYR 67 H TYR 67 -12.133 -5.884 -17.563 502 HA TYR 67 HA TYR 67 -9.393 -5.777 -16.567 503 HB2 TYR 67 2HB TYR 67 -11.748 -7.198 -15.322 504 HB3 TYR 67 3HB TYR 67 -10.236 -6.744 -14.545 505 HD1 TYR 67 HD1 TYR 67 -13.598 -5.814 -15.109 506 HD2 TYR 67 HD2 TYR 67 -9.719 -4.184 -14.477 507 HE1 TYR 67 HE1 TYR 67 -14.614 -3.693 -14.389 508 HE2 TYR 67 HE2 TYR 67 -10.724 -2.059 -13.755 509 HH TYR 67 HH TYR 67 -13.217 -0.913 -14.331 510 H PHE 68 H PHE 68 -7.986 -7.216 -17.294 511 HA PHE 68 HA PHE 68 -8.952 -9.843 -18.177 512 HB2 PHE 68 2HB PHE 68 -7.211 -8.040 -19.376 513 HB3 PHE 68 3HB PHE 68 -6.146 -9.276 -18.714 514 HD1 PHE 68 HD1 PHE 68 -5.503 -10.796 -20.295 515 HD2 PHE 68 HD2 PHE 68 -9.490 -9.308 -20.376 516 HE1 PHE 68 HE1 PHE 68 -6.006 -12.256 -22.211 517 HE2 PHE 68 HE2 PHE 68 -10.000 -10.766 -22.291 518 HZ PHE 68 HZ PHE 68 -8.257 -12.243 -23.210 519 H LEU 69 H LEU 69 -8.093 -11.742 -17.387 520 HA LEU 69 HA LEU 69 -5.847 -12.026 -15.770 521 HB2 LEU 69 2HB LEU 69 -7.843 -10.707 -14.395 522 HB3 LEU 69 3HB LEU 69 -8.029 -12.381 -13.876 523 HG LEU 69 HG LEU 69 -6.632 -11.133 -12.326 524 HD11 LEU 69 1HD1 LEU 69 -5.322 -12.904 -11.959 525 HD12 LEU 69 2HD1 LEU 69 -4.538 -12.770 -13.533 526 HD13 LEU 69 3HD1 LEU 69 -6.090 -13.595 -13.388 527 HD21 LEU 69 3HD2 LEU 69 -4.848 -10.676 -14.715 528 HD22 LEU 69 1HD2 LEU 69 -4.419 -10.315 -13.043 529 HD23 LEU 69 2HD2 LEU 69 -5.746 -9.449 -13.820 530 HA PRO 70 HA PRO 70 -8.656 -15.933 -15.292 531 HB2 PRO 70 2HB PRO 70 -11.163 -15.788 -16.323 532 HB3 PRO 70 3HB PRO 70 -10.782 -15.337 -14.657 533 HG2 PRO 70 2HG PRO 70 -11.149 -13.586 -17.058 534 HG3 PRO 70 3HG PRO 70 -11.746 -13.356 -15.404 535 HD2 PRO 70 2HD PRO 70 -9.556 -12.078 -16.353 536 HD3 PRO 70 3HD PRO 70 -9.721 -12.553 -14.651 537 H ASP 71 H ASP 71 -8.470 -13.950 -18.077 538 HA ASP 71 HA ASP 71 -8.255 -14.366 -20.309 539 HB2 ASP 71 2HB ASP 71 -7.209 -17.081 -19.532 540 HB3 ASP 71 3HB ASP 71 -6.722 -16.065 -20.887 541 H ARG 72 H ARG 72 -10.794 -15.050 -19.148 542 HA ARG 72 HA ARG 72 -11.648 -17.077 -21.098 543 HB2 ARG 72 2HB ARG 72 -11.540 -17.752 -18.540 544 HB3 ARG 72 3HB ARG 72 -13.073 -16.892 -18.483 545 HG2 ARG 72 2HG ARG 72 -14.006 -18.821 -19.072 546 HG3 ARG 72 3HG ARG 72 -13.355 -18.516 -20.683 547 HD2 ARG 72 2HD ARG 72 -11.199 -19.598 -19.444 548 HD3 ARG 72 3HD ARG 72 -12.514 -20.445 -18.631 549 HE ARG 72 HE ARG 72 -12.976 -20.510 -21.393 550 HH11 ARG 72 1HH1 ARG 72 -10.767 -21.794 -19.029 551 HH12 ARG 72 2HH1 ARG 72 -10.423 -23.228 -19.938 552 HH21 ARG 72 2HH2 ARG 72 -11.427 -23.568 -21.970 553 HH22 ARG 72 1HH2 ARG 72 -12.532 -22.394 -22.600 554 H ASP 73 H ASP 73 -11.672 -14.070 -20.931 555 HA ASP 73 HA ASP 73 -14.541 -13.518 -20.879 556 HB2 ASP 73 2HB ASP 73 -12.839 -12.004 -19.753 557 HB3 ASP 73 3HB ASP 73 -12.314 -11.540 -21.369 558 H GLU 74 H GLU 74 -13.472 -15.173 -22.974 559 HA GLU 74 HA GLU 74 -13.624 -15.456 -25.226 560 HB2 GLU 74 2HB GLU 74 -15.305 -12.946 -25.107 561 HB3 GLU 74 3HB GLU 74 -15.257 -14.096 -26.436 562 HG2 GLU 74 2HG GLU 74 -15.885 -15.717 -24.349 563 HG3 GLU 74 3HG GLU 74 -16.689 -14.218 -23.888 564 H GLY 75 H GLY 75 -11.310 -14.225 -24.363 565 HA2 GLY 75 2HA GLY 75 -10.715 -12.506 -26.678 566 HA3 GLY 75 3HA GLY 75 -10.222 -12.000 -25.069 567 H MET 76 H MET 76 -9.519 -14.650 -24.155 568 HA MET 76 HA MET 76 -6.830 -14.726 -24.747 569 HB2 MET 76 2HB MET 76 -6.743 -16.813 -23.643 570 HB3 MET 76 3HB MET 76 -8.072 -15.943 -22.890 571 HG2 MET 76 2HG MET 76 -9.146 -17.890 -23.186 572 HG3 MET 76 3HG MET 76 -9.419 -17.246 -24.803 573 HE1 MET 76 3HE MET 76 -9.356 -19.160 -26.609 574 HE2 MET 76 1HE MET 76 -8.817 -20.748 -26.065 575 HE3 MET 76 2HE MET 76 -10.005 -19.850 -25.121 576 H MET 77 H MET 77 -9.502 -16.086 -26.524 577 HA MET 77 HA MET 77 -8.056 -17.899 -28.130 578 HB2 MET 77 2HB MET 77 -10.006 -17.786 -29.646 579 HB3 MET 77 3HB MET 77 -10.471 -18.029 -27.967 580 HG2 MET 77 2HG MET 77 -11.934 -16.392 -28.358 581 HG3 MET 77 3HG MET 77 -10.547 -15.327 -28.144 582 HE1 MET 77 3HE MET 77 -12.597 -17.415 -30.338 583 HE2 MET 77 1HE MET 77 -13.015 -16.353 -31.683 584 HE3 MET 77 2HE MET 77 -11.609 -17.411 -31.799 585 H GLU 78 H GLU 78 -8.801 -14.470 -28.479 586 HA GLU 78 HA GLU 78 -7.462 -14.358 -31.062 587 HB2 GLU 78 2HB GLU 78 -9.498 -12.856 -29.804 588 HB3 GLU 78 3HB GLU 78 -8.132 -11.769 -30.012 589 HG2 GLU 78 2HG GLU 78 -8.182 -11.930 -32.316 590 HG3 GLU 78 3HG GLU 78 -9.058 -13.459 -32.292 591 H GLU 79 H GLU 79 -6.789 -13.805 -27.738 592 HA GLU 79 HA GLU 79 -4.343 -12.318 -28.400 593 HB2 GLU 79 2HB GLU 79 -5.531 -12.766 -25.661 594 HB3 GLU 79 3HB GLU 79 -4.260 -11.634 -26.100 595 HG2 GLU 79 2HG GLU 79 -7.178 -11.496 -26.786 596 HG3 GLU 79 3HG GLU 79 -6.230 -10.371 -25.816 597 H GLY 80 H GLY 80 -4.919 -15.305 -28.599 598 HA2 GLY 80 2HA GLY 80 -2.360 -16.146 -27.573 599 HA3 GLY 80 3HA GLY 80 -3.721 -16.868 -26.728 600 H LYS 81 H LYS 81 -5.458 -17.081 -28.979 601 HA LYS 81 HA LYS 81 -4.163 -19.343 -30.322 602 HB2 LYS 81 2HB LYS 81 -6.603 -19.161 -29.089 603 HB3 LYS 81 3HB LYS 81 -7.036 -18.920 -30.776 604 HG2 LYS 81 2HG LYS 81 -7.118 -21.148 -30.864 605 HG3 LYS 81 3HG LYS 81 -5.357 -21.058 -30.939 606 HD2 LYS 81 2HD LYS 81 -6.492 -20.965 -28.229 607 HD3 LYS 81 3HD LYS 81 -6.752 -22.482 -29.093 608 HE2 LYS 81 2HE LYS 81 -4.653 -23.089 -28.697 609 HE3 LYS 81 3HE LYS 81 -4.062 -21.641 -29.511 610 HZ1 LYS 81 3HZ LYS 81 -3.359 -20.925 -27.553 611 HZ2 LYS 81 1HZ LYS 81 -4.048 -22.248 -26.756 612 HZ3 LYS 81 2HZ LYS 81 -4.959 -20.846 -27.010 613 H LEU 82 H LEU 82 -3.944 -16.392 -31.002 614 HA LEU 82 HA LEU 82 -4.589 -16.698 -33.852 615 HB2 LEU 82 2HB LEU 82 -6.273 -15.244 -32.951 616 HB3 LEU 82 3HB LEU 82 -5.054 -14.267 -32.135 617 HG LEU 82 HG LEU 82 -4.216 -13.535 -34.345 618 HD11 LEU 82 1HD1 LEU 82 -4.725 -15.043 -35.962 619 HD12 LEU 82 2HD1 LEU 82 -6.097 -13.956 -36.175 620 HD13 LEU 82 3HD1 LEU 82 -6.288 -15.447 -35.253 621 HD21 LEU 82 3HD2 LEU 82 -5.880 -11.921 -34.691 622 HD22 LEU 82 1HD2 LEU 82 -6.022 -12.351 -32.986 623 HD23 LEU 82 2HD2 LEU 82 -7.166 -13.005 -34.158 624 H ASP 83 H ASP 83 -2.905 -14.474 -31.625 625 HA ASP 83 HA ASP 83 -0.614 -14.520 -33.481 626 HB2 ASP 83 2HB ASP 83 -1.059 -12.273 -31.548 627 HB3 ASP 83 3HB ASP 83 -0.197 -12.268 -33.084 628 H ALA 84 H ALA 84 1.201 -15.371 -32.719 629 HA ALA 84 HA ALA 84 1.440 -16.518 -30.189 630 HB1 ALA 84 1HB ALA 84 3.764 -16.887 -30.726 631 HB2 ALA 84 2HB ALA 84 2.776 -17.167 -32.161 632 HB3 ALA 84 3HB ALA 84 3.695 -15.671 -32.001 633 H SER 85 H SER 85 2.151 -13.294 -31.296 634 HA SER 85 HA SER 85 3.861 -12.483 -29.210 635 HB2 SER 85 2HB SER 85 2.079 -11.016 -31.133 636 HB3 SER 85 3HB SER 85 2.911 -10.144 -29.846 637 HG SER 85 HG SER 85 4.879 -11.061 -30.670 638 H CYS 86 H CYS 86 0.350 -12.494 -29.532 639 HA CYS 86 HA CYS 86 -0.187 -11.048 -27.154 640 HB2 CYS 86 2HB CYS 86 -1.921 -13.005 -28.676 641 HB3 CYS 86 3HB CYS 86 -2.489 -11.931 -27.403 642 HG CYS 86 HG CYS 86 -3.072 -11.162 -30.196 643 H ALA 87 H ALA 87 -0.120 -14.521 -27.891 644 HA ALA 87 HA ALA 87 -0.850 -15.436 -25.342 645 HB1 ALA 87 1HB ALA 87 -0.076 -16.585 -27.802 646 HB2 ALA 87 2HB ALA 87 0.952 -17.285 -26.551 647 HB3 ALA 87 3HB ALA 87 -0.803 -17.381 -26.405 648 H VAL 88 H VAL 88 2.295 -14.629 -26.725 649 HA VAL 88 HA VAL 88 3.846 -15.586 -24.550 650 HB VAL 88 HB VAL 88 4.489 -13.535 -26.671 651 HG11 VAL 88 1HG1 VAL 88 6.212 -12.966 -25.369 652 HG12 VAL 88 2HG1 VAL 88 5.946 -14.328 -24.278 653 HG13 VAL 88 3HG1 VAL 88 6.878 -14.552 -25.759 654 HG21 VAL 88 3HG2 VAL 88 4.058 -16.102 -27.120 655 HG22 VAL 88 1HG2 VAL 88 5.357 -15.231 -27.935 656 HG23 VAL 88 2HG2 VAL 88 5.716 -16.242 -26.536 657 H ALA 89 H ALA 89 2.627 -12.366 -25.414 658 HA ALA 89 HA ALA 89 3.804 -10.933 -23.322 659 HB1 ALA 89 1HB ALA 89 2.840 -9.250 -24.394 660 HB2 ALA 89 2HB ALA 89 1.973 -10.407 -25.406 661 HB3 ALA 89 3HB ALA 89 1.244 -9.824 -23.909 662 H ILE 90 H ILE 90 0.655 -12.560 -23.499 663 HA ILE 90 HA ILE 90 -0.228 -11.790 -20.927 664 HB ILE 90 HB ILE 90 -1.026 -14.196 -22.570 665 HG12 ILE 90 2HG1 ILE 90 -2.537 -11.607 -22.261 666 HG13 ILE 90 3HG1 ILE 90 -1.342 -11.836 -23.534 667 HG21 ILE 90 1HG2 ILE 90 -1.996 -13.092 -19.989 668 HG22 ILE 90 2HG2 ILE 90 -3.185 -13.744 -21.114 669 HG23 ILE 90 3HG2 ILE 90 -1.872 -14.766 -20.529 670 HD11 ILE 90 3HD1 ILE 90 -2.849 -14.040 -23.881 671 HD12 ILE 90 1HD1 ILE 90 -4.059 -12.912 -23.271 672 HD13 ILE 90 2HD1 ILE 90 -3.124 -12.510 -24.712 673 H GLU 91 H GLU 91 1.321 -14.766 -22.108 674 HA GLU 91 HA GLU 91 1.336 -16.182 -19.711 675 HB2 GLU 91 2HB GLU 91 2.765 -16.317 -22.269 676 HB3 GLU 91 3HB GLU 91 3.677 -16.966 -20.914 677 HG2 GLU 91 2HG GLU 91 1.270 -18.114 -20.489 678 HG3 GLU 91 3HG GLU 91 1.277 -18.000 -22.248 679 H GLU 92 H GLU 92 3.543 -13.725 -20.923 680 HA GLU 92 HA GLU 92 5.492 -14.057 -18.871 681 HB2 GLU 92 2HB GLU 92 5.865 -12.983 -21.133 682 HB3 GLU 92 3HB GLU 92 5.012 -11.575 -20.518 683 HG2 GLU 92 2HG GLU 92 6.760 -10.882 -19.307 684 HG3 GLU 92 3HG GLU 92 7.189 -12.516 -18.803 685 H ALA 93 H ALA 93 2.804 -11.798 -19.368 686 HA ALA 93 HA ALA 93 3.212 -10.165 -17.149 687 HB1 ALA 93 1HB ALA 93 0.398 -10.645 -17.683 688 HB2 ALA 93 2HB ALA 93 1.344 -9.165 -17.843 689 HB3 ALA 93 3HB ALA 93 1.326 -10.345 -19.153 690 H ILE 94 H ILE 94 1.396 -13.196 -17.435 691 HA ILE 94 HA ILE 94 0.536 -13.182 -14.705 692 HB ILE 94 HB ILE 94 -0.218 -15.475 -15.120 693 HG12 ILE 94 2HG1 ILE 94 1.165 -15.128 -17.788 694 HG13 ILE 94 3HG1 ILE 94 1.612 -16.262 -16.518 695 HG21 ILE 94 1HG2 ILE 94 -2.026 -14.768 -16.246 696 HG22 ILE 94 2HG2 ILE 94 -1.226 -13.197 -16.201 697 HG23 ILE 94 3HG2 ILE 94 -1.077 -14.222 -17.628 698 HD11 ILE 94 3HD1 ILE 94 -0.844 -16.307 -18.244 699 HD12 ILE 94 1HD1 ILE 94 0.467 -17.484 -18.187 700 HD13 ILE 94 2HD1 ILE 94 -0.637 -17.326 -16.820 701 H GLN 95 H GLN 95 3.227 -14.574 -16.479 702 HA GLN 95 HA GLN 95 4.138 -16.331 -14.468 703 HB2 GLN 95 2HB GLN 95 5.247 -15.168 -16.957 704 HB3 GLN 95 3HB GLN 95 6.417 -15.755 -15.782 705 HG2 GLN 95 2HG GLN 95 4.160 -17.549 -16.424 706 HG3 GLN 95 3HG GLN 95 5.364 -17.291 -17.686 707 HE21 GLN 95 2HE2 GLN 95 6.118 -19.720 -14.596 708 HE22 GLN 95 1HE2 GLN 95 4.587 -18.970 -14.873 709 H LEU 96 H LEU 96 4.574 -12.911 -15.008 710 HA LEU 96 HA LEU 96 6.652 -12.692 -12.997 711 HB2 LEU 96 2HB LEU 96 5.188 -10.619 -14.621 712 HB3 LEU 96 3HB LEU 96 6.475 -10.254 -13.473 713 HG LEU 96 HG LEU 96 6.931 -12.085 -15.809 714 HD11 LEU 96 1HD1 LEU 96 7.760 -10.181 -17.070 715 HD12 LEU 96 2HD1 LEU 96 7.273 -9.089 -15.774 716 HD13 LEU 96 3HD1 LEU 96 6.051 -9.974 -16.687 717 HD21 LEU 96 3HD2 LEU 96 9.029 -12.135 -15.077 718 HD22 LEU 96 1HD2 LEU 96 8.466 -11.328 -13.613 719 HD23 LEU 96 2HD2 LEU 96 9.097 -10.376 -14.957 720 H TYR 97 H TYR 97 3.257 -11.766 -13.397 721 HA TYR 97 HA TYR 97 2.934 -10.400 -10.978 722 HB2 TYR 97 2HB TYR 97 1.307 -10.469 -12.905 723 HB3 TYR 97 3HB TYR 97 0.817 -12.066 -12.348 724 HD1 TYR 97 HD1 TYR 97 1.208 -8.576 -11.070 725 HD2 TYR 97 HD2 TYR 97 -0.972 -12.226 -10.891 726 HE1 TYR 97 HE1 TYR 97 -0.396 -7.536 -9.522 727 HE2 TYR 97 HE2 TYR 97 -2.582 -11.195 -9.344 728 HH TYR 97 HH TYR 97 -2.260 -7.799 -8.350 729 H GLU 98 H GLU 98 2.679 -13.835 -11.750 730 HA GLU 98 HA GLU 98 1.909 -14.511 -9.039 731 HB2 GLU 98 2HB GLU 98 2.350 -16.074 -11.562 732 HB3 GLU 98 3HB GLU 98 2.260 -16.902 -10.014 733 HG2 GLU 98 2HG GLU 98 0.071 -15.163 -10.068 734 HG3 GLU 98 3HG GLU 98 0.148 -15.894 -11.670 735 H GLU 99 H GLU 99 4.708 -13.528 -10.269 736 HA GLU 99 HA GLU 99 6.334 -15.437 -8.725 737 HB2 GLU 99 2HB GLU 99 6.794 -13.972 -11.251 738 HB3 GLU 99 3HB GLU 99 8.169 -14.054 -10.158 739 HG2 GLU 99 2HG GLU 99 6.640 -16.520 -10.885 740 HG3 GLU 99 3HG GLU 99 7.889 -15.876 -11.950 741 H GLN 100 H GLN 100 5.360 -12.139 -9.058 742 HA GLN 100 HA GLN 100 7.330 -11.285 -7.056 743 HB2 GLN 100 2HB GLN 100 5.858 -9.921 -9.231 744 HB3 GLN 100 3HB GLN 100 6.092 -8.990 -7.757 745 HG2 GLN 100 2HG GLN 100 8.563 -10.199 -8.360 746 HG3 GLN 100 3HG GLN 100 7.936 -9.522 -9.862 747 HE21 GLN 100 2HE2 GLN 100 9.678 -7.148 -7.239 748 HE22 GLN 100 1HE2 GLN 100 9.813 -8.870 -7.287 749 H LEU 101 H LEU 101 3.915 -11.693 -7.634 750 HA LEU 101 HA LEU 101 3.102 -10.298 -5.251 751 HB2 LEU 101 2HB LEU 101 1.669 -10.414 -7.239 752 HB3 LEU 101 3HB LEU 101 1.556 -12.162 -7.048 753 HG LEU 101 HG LEU 101 0.547 -11.578 -4.722 754 HD11 LEU 101 1HD1 LEU 101 -0.551 -9.487 -4.542 755 HD12 LEU 101 2HD1 LEU 101 -0.146 -9.052 -6.202 756 HD13 LEU 101 3HD1 LEU 101 1.123 -9.144 -4.980 757 HD21 LEU 101 3HD2 LEU 101 -1.456 -10.814 -6.679 758 HD22 LEU 101 1HD2 LEU 101 -1.363 -12.246 -5.655 759 HD23 LEU 101 2HD2 LEU 101 -0.507 -12.208 -7.197 760 H LYS 102 H LYS 102 4.023 -13.519 -6.098 761 HA LYS 102 HA LYS 102 2.927 -14.638 -3.637 762 HB2 LYS 102 2HB LYS 102 2.637 -16.051 -5.526 763 HB3 LYS 102 3HB LYS 102 4.313 -15.853 -6.023 764 HG2 LYS 102 2HG LYS 102 3.830 -17.040 -3.356 765 HG3 LYS 102 3HG LYS 102 3.430 -18.022 -4.767 766 HD2 LYS 102 2HD LYS 102 6.025 -16.660 -4.920 767 HD3 LYS 102 3HD LYS 102 5.901 -17.860 -3.632 768 HE2 LYS 102 2HE LYS 102 4.833 -19.303 -5.574 769 HE3 LYS 102 3HE LYS 102 5.777 -18.209 -6.584 770 HZ1 LYS 102 3HZ LYS 102 6.948 -19.719 -4.319 771 HZ2 LYS 102 1HZ LYS 102 7.766 -18.895 -5.550 772 HZ3 LYS 102 2HZ LYS 102 6.919 -20.315 -5.902 773 H ALA 103 H ALA 103 5.920 -13.525 -4.974 774 HA ALA 103 HA ALA 103 7.633 -14.860 -3.110 775 HB1 ALA 103 1HB ALA 103 8.549 -14.213 -5.220 776 HB2 ALA 103 2HB ALA 103 8.103 -12.526 -4.957 777 HB3 ALA 103 3HB ALA 103 9.357 -13.272 -3.966 778 H GLN 104 H GLN 104 5.831 -11.889 -3.134 779 HA GLN 104 HA GLN 104 7.126 -11.063 -0.625 780 HB2 GLN 104 2HB GLN 104 5.330 -9.350 -2.333 781 HB3 GLN 104 3HB GLN 104 6.440 -8.834 -1.071 782 HG2 GLN 104 2HG GLN 104 8.021 -10.180 -2.932 783 HG3 GLN 104 3HG GLN 104 6.903 -9.203 -3.883 784 HE21 GLN 104 2HE2 GLN 104 10.082 -7.423 -2.652 785 HE22 GLN 104 1HE2 GLN 104 9.864 -9.066 -3.136 786 H ALA 105 H ALA 105 4.909 -13.077 -1.134 787 HA ALA 105 HA ALA 105 2.946 -11.894 0.720 788 HB1 ALA 105 1HB ALA 105 1.892 -12.161 -1.419 789 HB2 ALA 105 2HB ALA 105 2.449 -13.831 -1.534 790 HB3 ALA 105 3HB ALA 105 1.252 -13.383 -0.320 791 H GLY 106 H GLY 106 5.426 -13.524 1.168 792 HA2 GLY 106 2HA GLY 106 4.578 -15.061 3.314 793 HA3 GLY 106 3HA GLY 106 4.652 -16.148 1.935 794 H GLY 107 H GLY 107 6.799 -15.802 0.617 795 HA2 GLY 107 2HA GLY 107 9.174 -14.980 1.197 796 HA3 GLY 107 3HA GLY 107 8.962 -16.014 2.602 797 H THR 108 H THR 108 8.072 -16.507 -0.803 798 HA THR 108 HA THR 108 8.662 -18.107 -2.314 799 HB THR 108 HB THR 108 11.021 -18.938 -0.668 800 HG1 THR 108 HG1 THR 108 10.688 -16.471 -2.043 801 HG21 THR 108 3HG2 THR 108 11.318 -18.313 -3.513 802 HG22 THR 108 1HG2 THR 108 10.144 -19.586 -3.181 803 HG23 THR 108 2HG2 THR 108 11.806 -19.748 -2.612 804 H ASN 109 H ASN 109 6.684 -19.005 -1.026 805 HA ASN 109 HA ASN 109 5.571 -20.796 -0.167 806 HB2 ASN 109 2HB ASN 109 7.945 -22.258 -1.346 807 HB3 ASN 109 3HB ASN 109 6.452 -23.027 -0.816 808 HD21 ASN 109 2HD2 ASN 109 6.640 -22.026 -4.529 809 HD22 ASN 109 1HD2 ASN 109 7.903 -22.557 -3.477 810 H GLU 110 H GLU 110 7.303 -19.402 1.630 811 HA GLU 110 HA GLU 110 8.948 -20.984 3.200 812 HB2 GLU 110 2HB GLU 110 8.277 -18.415 3.302 813 HB3 GLU 110 3HB GLU 110 7.188 -18.995 4.554 814 HG2 GLU 110 2HG GLU 110 9.244 -20.098 5.586 815 HG3 GLU 110 3HG GLU 110 10.182 -19.078 4.496 Start of MODEL 11 1 H1 MET 1 H MET 1 4.343 -0.362 -0.686 2 HA MET 1 HA MET 1 1.752 0.875 -0.084 3 HB2 MET 1 2HB MET 1 4.202 1.756 -1.450 4 HB3 MET 1 3HB MET 1 2.713 2.217 -2.266 5 HG2 MET 1 2HG MET 1 2.713 2.701 0.621 6 HG3 MET 1 3HG MET 1 3.910 3.627 -0.281 7 HE1 MET 1 3HE MET 1 1.886 5.730 -2.721 8 HE2 MET 1 1HE MET 1 3.167 5.988 -1.536 9 HE3 MET 1 2HE MET 1 3.246 4.609 -2.632 10 H ILE 2 H ILE 2 0.456 1.448 -2.127 11 HA ILE 2 HA ILE 2 0.555 -0.749 -4.076 12 HB ILE 2 HB ILE 2 -1.976 -0.752 -4.036 13 HG12 ILE 2 2HG1 ILE 2 -1.932 0.187 -1.232 14 HG13 ILE 2 3HG1 ILE 2 -1.732 1.437 -2.454 15 HG21 ILE 2 1HG2 ILE 2 -0.298 -1.766 -1.770 16 HG22 ILE 2 2HG2 ILE 2 -2.023 -2.115 -1.858 17 HG23 ILE 2 3HG2 ILE 2 -0.950 -2.648 -3.151 18 HD11 ILE 2 3HD1 ILE 2 -3.996 -0.540 -2.405 19 HD12 ILE 2 1HD1 ILE 2 -4.072 1.090 -1.739 20 HD13 ILE 2 2HD1 ILE 2 -3.820 0.855 -3.469 21 HA PRO 3 HA PRO 3 0.216 3.413 -6.119 22 HB2 PRO 3 2HB PRO 3 2.174 2.941 -7.939 23 HB3 PRO 3 3HB PRO 3 2.497 3.588 -6.327 24 HG2 PRO 3 2HG PRO 3 2.753 0.778 -7.326 25 HG3 PRO 3 3HG PRO 3 3.854 1.699 -6.285 26 HD2 PRO 3 2HD PRO 3 2.112 -0.128 -5.307 27 HD3 PRO 3 3HD PRO 3 2.587 1.320 -4.397 28 H SER 4 H SER 4 -0.883 3.836 -7.992 29 HA SER 4 HA SER 4 -2.275 3.438 -9.748 30 HB2 SER 4 2HB SER 4 -0.147 3.015 -10.898 31 HB3 SER 4 3HB SER 4 -0.200 1.327 -10.392 32 HG SER 4 HG SER 4 -1.087 2.121 -12.596 33 H PHE 5 H PHE 5 -2.791 2.037 -7.262 34 HA PHE 5 HA PHE 5 -4.055 0.350 -6.391 35 HB2 PHE 5 2HB PHE 5 -5.539 1.605 -8.206 36 HB3 PHE 5 3HB PHE 5 -5.479 0.030 -8.991 37 HD1 PHE 5 HD1 PHE 5 -7.039 -1.567 -8.425 38 HD2 PHE 5 HD2 PHE 5 -6.215 1.587 -5.688 39 HE1 PHE 5 HE1 PHE 5 -8.855 -2.362 -6.968 40 HE2 PHE 5 HE2 PHE 5 -8.029 0.796 -4.226 41 HZ PHE 5 HZ PHE 5 -9.351 -1.181 -4.865 42 H ALA 6 H ALA 6 -2.412 -1.206 -6.208 43 HA ALA 6 HA ALA 6 -1.475 -3.262 -6.483 44 HB1 ALA 6 1HB ALA 6 -4.139 -3.505 -7.684 45 HB2 ALA 6 2HB ALA 6 -2.969 -4.702 -8.241 46 HB3 ALA 6 3HB ALA 6 -3.316 -4.543 -6.519 47 HA PRO 7 HA PRO 7 0.552 -1.875 -10.381 48 HB2 PRO 7 2HB PRO 7 3.072 -2.086 -9.394 49 HB3 PRO 7 3HB PRO 7 2.070 -0.648 -9.170 50 HG2 PRO 7 2HG PRO 7 2.588 -2.909 -7.278 51 HG3 PRO 7 3HG PRO 7 2.536 -1.167 -6.951 52 HD2 PRO 7 2HD PRO 7 0.462 -2.816 -6.393 53 HD3 PRO 7 3HD PRO 7 0.233 -1.123 -6.873 54 H GLY 8 H GLY 8 0.892 -3.328 -11.938 55 HA2 GLY 8 2HA GLY 8 2.289 -5.140 -12.777 56 HA3 GLY 8 3HA GLY 8 2.136 -5.903 -11.201 57 H THR 9 H THR 9 -0.667 -4.429 -12.563 58 HA THR 9 HA THR 9 -1.821 -7.096 -12.977 59 HB THR 9 HB THR 9 -3.391 -4.530 -12.854 60 HG1 THR 9 HG1 THR 9 -2.998 -6.189 -10.600 61 HG21 THR 9 3HG2 THR 9 -4.723 -6.310 -13.626 62 HG22 THR 9 1HG2 THR 9 -5.093 -6.184 -11.907 63 HG23 THR 9 2HG2 THR 9 -4.010 -7.450 -12.485 64 H LEU 10 H LEU 10 -2.471 -7.771 -14.931 65 HA LEU 10 HA LEU 10 -2.037 -5.985 -17.201 66 HB2 LEU 10 2HB LEU 10 -1.064 -8.316 -17.063 67 HB3 LEU 10 3HB LEU 10 -2.707 -8.917 -17.278 68 HG LEU 10 HG LEU 10 -1.464 -7.066 -19.285 69 HD11 LEU 10 1HD1 LEU 10 -1.188 -9.506 -20.422 70 HD12 LEU 10 2HD1 LEU 10 -0.786 -9.872 -18.745 71 HD13 LEU 10 3HD1 LEU 10 0.113 -8.630 -19.615 72 HD21 LEU 10 3HD2 LEU 10 -3.136 -9.072 -20.381 73 HD22 LEU 10 1HD2 LEU 10 -3.424 -7.334 -20.285 74 HD23 LEU 10 2HD2 LEU 10 -3.963 -8.389 -18.979 75 H VAL 11 H VAL 11 -3.638 -5.131 -18.367 76 HA VAL 11 HA VAL 11 -6.336 -6.277 -18.124 77 HB VAL 11 HB VAL 11 -7.333 -4.072 -17.998 78 HG11 VAL 11 1HG1 VAL 11 -6.509 -5.304 -15.927 79 HG12 VAL 11 2HG1 VAL 11 -5.185 -4.137 -15.899 80 HG13 VAL 11 3HG1 VAL 11 -6.854 -3.583 -15.751 81 HG21 VAL 11 3HG2 VAL 11 -5.640 -2.153 -17.461 82 HG22 VAL 11 1HG2 VAL 11 -4.512 -3.170 -18.358 83 HG23 VAL 11 2HG2 VAL 11 -5.985 -2.589 -19.135 84 H TRP 12 H TRP 12 -7.762 -4.753 -19.772 85 HA TRP 12 HA TRP 12 -6.327 -4.907 -22.343 86 HB2 TRP 12 2HB TRP 12 -9.051 -5.811 -21.536 87 HB3 TRP 12 3HB TRP 12 -8.842 -5.184 -23.169 88 HD1 TRP 12 HD1 TRP 12 -5.976 -6.429 -23.793 89 HE1 TRP 12 HE1 TRP 12 -5.759 -8.966 -24.170 90 HE3 TRP 12 HE3 TRP 12 -10.245 -7.968 -21.439 91 HZ2 TRP 12 HZ2 TRP 12 -7.206 -11.309 -23.552 92 HZ3 TRP 12 HZ3 TRP 12 -10.756 -10.374 -21.377 93 HH2 TRP 12 HH2 TRP 12 -9.267 -12.008 -22.412 94 H LEU 13 H LEU 13 -6.342 -3.156 -23.627 95 HA LEU 13 HA LEU 13 -8.023 -0.881 -22.800 96 HB2 LEU 13 2HB LEU 13 -5.290 -0.991 -22.886 97 HB3 LEU 13 3HB LEU 13 -5.682 -0.278 -24.449 98 HG LEU 13 HG LEU 13 -7.106 0.985 -22.244 99 HD11 LEU 13 1HD1 LEU 13 -5.307 1.981 -21.116 100 HD12 LEU 13 2HD1 LEU 13 -4.132 1.393 -22.292 101 HD13 LEU 13 3HD1 LEU 13 -4.909 0.264 -21.182 102 HD21 LEU 13 3HD2 LEU 13 -5.280 1.955 -24.438 103 HD22 LEU 13 1HD2 LEU 13 -6.171 3.005 -23.336 104 HD23 LEU 13 2HD2 LEU 13 -7.044 1.948 -24.446 105 H LYS 14 H LYS 14 -9.598 -0.444 -24.179 106 HA LYS 14 HA LYS 14 -9.253 -1.166 -27.008 107 HB2 LYS 14 2HB LYS 14 -11.176 -2.152 -25.696 108 HB3 LYS 14 3HB LYS 14 -11.840 -0.527 -25.589 109 HG2 LYS 14 2HG LYS 14 -11.856 -0.445 -28.079 110 HG3 LYS 14 3HG LYS 14 -11.376 -2.144 -28.084 111 HD2 LYS 14 2HD LYS 14 -13.454 -2.834 -27.622 112 HD3 LYS 14 3HD LYS 14 -13.661 -1.621 -26.356 113 HE2 LYS 14 2HE LYS 14 -15.277 -1.062 -27.944 114 HE3 LYS 14 3HE LYS 14 -13.952 0.051 -28.276 115 HZ1 LYS 14 3HZ LYS 14 -13.543 -2.276 -29.775 116 HZ2 LYS 14 1HZ LYS 14 -13.873 -0.715 -30.335 117 HZ3 LYS 14 2HZ LYS 14 -15.144 -1.785 -30.016 118 H GLN 15 H GLN 15 -8.867 0.425 -28.389 119 HA GLN 15 HA GLN 15 -9.083 3.172 -27.608 120 HB2 GLN 15 2HB GLN 15 -7.799 1.667 -29.693 121 HB3 GLN 15 3HB GLN 15 -8.679 3.018 -30.396 122 HG2 GLN 15 2HG GLN 15 -7.415 4.172 -28.255 123 HG3 GLN 15 3HG GLN 15 -6.234 2.991 -28.819 124 HE21 GLN 15 2HE2 GLN 15 -5.130 5.111 -31.291 125 HE22 GLN 15 1HE2 GLN 15 -4.806 3.919 -30.084 126 H ASP 16 H ASP 16 -10.019 4.685 -29.471 127 HA ASP 16 HA ASP 16 -12.819 4.416 -29.348 128 HB2 ASP 16 2HB ASP 16 -11.408 6.547 -29.661 129 HB3 ASP 16 3HB ASP 16 -11.391 6.128 -31.372 130 H ARG 17 H ARG 17 -10.724 4.332 -32.238 131 HA ARG 17 HA ARG 17 -12.796 2.762 -33.602 132 HB2 ARG 17 2HB ARG 17 -12.250 4.671 -34.881 133 HB3 ARG 17 3HB ARG 17 -10.526 4.466 -34.601 134 HG2 ARG 17 2HG ARG 17 -10.294 2.951 -36.261 135 HG3 ARG 17 3HG ARG 17 -11.901 2.267 -36.011 136 HD2 ARG 17 2HD ARG 17 -11.883 3.368 -38.134 137 HD3 ARG 17 3HD ARG 17 -12.861 4.330 -37.026 138 HE ARG 17 HE ARG 17 -10.391 5.441 -36.839 139 HH11 ARG 17 1HH1 ARG 17 -12.526 4.713 -39.490 140 HH12 ARG 17 2HH1 ARG 17 -11.967 6.027 -40.472 141 HH21 ARG 17 2HH2 ARG 17 -10.329 7.426 -39.693 142 HH22 ARG 17 1HH2 ARG 17 -9.647 7.174 -38.122 143 H PHE 18 H PHE 18 -9.608 2.588 -32.315 144 HA PHE 18 HA PHE 18 -8.826 0.261 -33.827 145 HB2 PHE 18 2HB PHE 18 -7.564 2.114 -31.981 146 HB3 PHE 18 3HB PHE 18 -7.150 0.445 -31.603 147 HD1 PHE 18 HD1 PHE 18 -5.070 -0.073 -32.410 148 HD2 PHE 18 HD2 PHE 18 -7.673 2.303 -34.798 149 HE1 PHE 18 HE1 PHE 18 -3.402 -0.068 -34.219 150 HE2 PHE 18 HE2 PHE 18 -6.010 2.310 -36.610 151 HZ PHE 18 HZ PHE 18 -3.872 1.123 -36.323 152 HA PRO 19 HA PRO 19 -10.447 -2.907 -31.261 153 HB2 PRO 19 2HB PRO 19 -8.473 -4.768 -31.362 154 HB3 PRO 19 3HB PRO 19 -9.533 -4.417 -32.732 155 HG2 PRO 19 2HG PRO 19 -6.750 -3.455 -32.195 156 HG3 PRO 19 3HG PRO 19 -7.460 -4.032 -33.713 157 HD2 PRO 19 2HD PRO 19 -7.142 -1.400 -33.161 158 HD3 PRO 19 3HD PRO 19 -8.486 -2.013 -34.146 159 H TRP 20 H TRP 20 -9.563 -4.563 -29.483 160 HA TRP 20 HA TRP 20 -8.326 -2.876 -27.429 161 HB2 TRP 20 2HB TRP 20 -9.261 -4.515 -25.822 162 HB3 TRP 20 3HB TRP 20 -10.501 -3.785 -26.839 163 HD1 TRP 20 HD1 TRP 20 -8.813 -7.116 -26.096 164 HE1 TRP 20 HE1 TRP 20 -10.137 -8.997 -27.251 165 HE3 TRP 20 HE3 TRP 20 -12.006 -4.265 -28.891 166 HZ2 TRP 20 HZ2 TRP 20 -12.254 -9.241 -29.102 167 HZ3 TRP 20 HZ3 TRP 20 -13.650 -5.399 -30.328 168 HH2 TRP 20 HH2 TRP 20 -13.770 -7.836 -30.430 169 H TRP 21 H TRP 21 -6.334 -3.263 -26.713 170 HA TRP 21 HA TRP 21 -5.130 -5.890 -27.290 171 HB2 TRP 21 2HB TRP 21 -4.101 -3.138 -27.760 172 HB3 TRP 21 3HB TRP 21 -2.944 -4.352 -27.222 173 HD1 TRP 21 HD1 TRP 21 -3.887 -6.852 -28.853 174 HE1 TRP 21 HE1 TRP 21 -3.638 -6.909 -31.414 175 HE3 TRP 21 HE3 TRP 21 -3.598 -1.828 -29.753 176 HZ2 TRP 21 HZ2 TRP 21 -3.355 -5.068 -33.535 177 HZ3 TRP 21 HZ3 TRP 21 -3.337 -1.059 -32.075 178 HH2 TRP 21 HH2 TRP 21 -3.218 -2.647 -33.926 179 HA PRO 22 HA PRO 22 -4.145 -6.241 -23.027 180 HB2 PRO 22 2HB PRO 22 -1.819 -7.636 -23.139 181 HB3 PRO 22 3HB PRO 22 -3.391 -8.359 -23.499 182 HG2 PRO 22 2HG PRO 22 -1.300 -7.337 -25.382 183 HG3 PRO 22 3HG PRO 22 -2.269 -8.819 -25.484 184 HD2 PRO 22 2HD PRO 22 -2.861 -6.591 -26.904 185 HD3 PRO 22 3HD PRO 22 -4.109 -7.708 -26.316 186 H GLY 23 H GLY 23 -2.928 -5.310 -21.399 187 HA2 GLY 23 2HA GLY 23 -0.417 -4.002 -21.982 188 HA3 GLY 23 3HA GLY 23 -1.751 -2.893 -21.697 189 H PHE 24 H PHE 24 0.825 -3.929 -20.222 190 HA PHE 24 HA PHE 24 -0.274 -4.818 -17.705 191 HB2 PHE 24 2HB PHE 24 2.159 -5.146 -18.916 192 HB3 PHE 24 3HB PHE 24 2.518 -3.897 -17.729 193 HD1 PHE 24 HD1 PHE 24 0.475 -7.024 -17.790 194 HD2 PHE 24 HD2 PHE 24 3.443 -4.709 -15.804 195 HE1 PHE 24 HE1 PHE 24 0.640 -8.745 -16.039 196 HE2 PHE 24 HE2 PHE 24 3.614 -6.426 -14.051 197 HZ PHE 24 HZ PHE 24 2.213 -8.448 -14.167 198 H VAL 25 H VAL 25 -0.996 -3.536 -16.148 199 HA VAL 25 HA VAL 25 -0.771 -0.683 -16.354 200 HB VAL 25 HB VAL 25 -1.935 -2.388 -14.148 201 HG11 VAL 25 1HG1 VAL 25 -1.809 0.567 -14.574 202 HG12 VAL 25 2HG1 VAL 25 -3.188 -0.146 -13.736 203 HG13 VAL 25 3HG1 VAL 25 -1.558 -0.364 -13.098 204 HG21 VAL 25 3HG2 VAL 25 -3.651 -2.709 -15.523 205 HG22 VAL 25 1HG2 VAL 25 -3.916 -0.966 -15.560 206 HG23 VAL 25 2HG2 VAL 25 -2.878 -1.726 -16.766 207 H MET 26 H MET 26 0.913 0.456 -15.681 208 HA MET 26 HA MET 26 2.278 -0.354 -13.212 209 HB2 MET 26 2HB MET 26 3.680 0.515 -15.746 210 HB3 MET 26 3HB MET 26 4.458 0.162 -14.209 211 HG2 MET 26 2HG MET 26 3.479 -2.165 -14.412 212 HG3 MET 26 3HG MET 26 3.086 -1.742 -16.076 213 HE1 MET 26 3HE MET 26 5.624 -2.170 -13.392 214 HE2 MET 26 1HE MET 26 7.144 -2.550 -14.202 215 HE3 MET 26 2HE MET 26 6.633 -0.871 -14.029 216 H ASP 27 H ASP 27 2.960 1.306 -11.915 217 HA ASP 27 HA ASP 27 1.823 3.903 -12.472 218 HB2 ASP 27 2HB ASP 27 2.414 4.459 -10.202 219 HB3 ASP 27 3HB ASP 27 1.718 2.841 -10.214 220 HA PRO 28 HA PRO 28 5.438 5.836 -14.060 221 HB2 PRO 28 2HB PRO 28 4.936 8.406 -13.340 222 HB3 PRO 28 3HB PRO 28 4.070 7.587 -14.645 223 HG2 PRO 28 2HG PRO 28 3.227 8.048 -11.810 224 HG3 PRO 28 3HG PRO 28 2.279 8.212 -13.299 225 HD2 PRO 28 2HD PRO 28 2.100 6.042 -11.690 226 HD3 PRO 28 3HD PRO 28 1.890 5.945 -13.450 227 H ASP 29 H ASP 29 4.507 6.670 -10.737 228 HA ASP 29 HA ASP 29 6.997 6.044 -9.624 229 HB2 ASP 29 2HB ASP 29 7.277 8.348 -11.002 230 HB3 ASP 29 3HB ASP 29 6.743 8.991 -9.452 231 H GLU 30 H GLU 30 4.426 5.459 -8.925 232 HA GLU 30 HA GLU 30 3.059 5.338 -7.110 233 HB2 GLU 30 2HB GLU 30 5.045 7.057 -5.632 234 HB3 GLU 30 3HB GLU 30 3.922 5.881 -4.963 235 HG2 GLU 30 2HG GLU 30 5.396 4.332 -6.643 236 HG3 GLU 30 3HG GLU 30 6.590 5.507 -6.096 237 H VAL 31 H VAL 31 1.738 6.775 -8.535 238 HA VAL 31 HA VAL 31 1.523 9.530 -7.572 239 HB VAL 31 HB VAL 31 -0.108 9.797 -9.456 240 HG11 VAL 31 1HG1 VAL 31 2.742 9.001 -9.895 241 HG12 VAL 31 2HG1 VAL 31 1.722 9.456 -11.260 242 HG13 VAL 31 3HG1 VAL 31 2.008 10.603 -9.950 243 HG21 VAL 31 3HG2 VAL 31 -0.415 7.169 -9.450 244 HG22 VAL 31 1HG2 VAL 31 -0.626 8.121 -10.920 245 HG23 VAL 31 2HG2 VAL 31 0.884 7.256 -10.640 246 H ARG 32 H ARG 32 0.536 6.893 -6.274 247 HA ARG 32 HA ARG 32 -2.324 7.358 -6.125 248 HB2 ARG 32 2HB ARG 32 -1.766 5.070 -6.132 249 HB3 ARG 32 3HB ARG 32 -0.472 5.294 -4.962 250 HG2 ARG 32 2HG ARG 32 -2.405 4.161 -3.989 251 HG3 ARG 32 3HG ARG 32 -2.092 5.713 -3.209 252 HD2 ARG 32 2HD ARG 32 -4.122 6.452 -3.734 253 HD3 ARG 32 3HD ARG 32 -3.876 6.056 -5.435 254 HE ARG 32 HE ARG 32 -4.432 3.658 -4.293 255 HH11 ARG 32 1HH1 ARG 32 -6.024 6.754 -4.314 256 HH12 ARG 32 2HH1 ARG 32 -7.615 6.083 -4.166 257 HH21 ARG 32 2HH2 ARG 32 -7.896 3.813 -4.042 258 HH22 ARG 32 1HH2 ARG 32 -6.521 2.763 -4.097 259 H ASP 33 H ASP 33 0.549 7.893 -4.205 260 HA ASP 33 HA ASP 33 -1.095 8.979 -2.024 261 HB2 ASP 33 2HB ASP 33 0.412 7.412 -1.122 262 HB3 ASP 33 3HB ASP 33 1.737 7.969 -2.140 263 H ILE 34 H ILE 34 1.383 9.778 -4.362 264 HA ILE 34 HA ILE 34 1.277 12.583 -3.465 265 HB ILE 34 HB ILE 34 3.466 11.277 -5.084 266 HG12 ILE 34 2HG1 ILE 34 4.545 12.029 -2.656 267 HG13 ILE 34 3HG1 ILE 34 2.969 11.389 -2.202 268 HG21 ILE 34 1HG2 ILE 34 3.466 13.941 -3.680 269 HG22 ILE 34 2HG2 ILE 34 4.689 13.301 -4.776 270 HG23 ILE 34 3HG2 ILE 34 3.093 13.733 -5.391 271 HD11 ILE 34 3HD1 ILE 34 4.278 9.667 -4.103 272 HD12 ILE 34 1HD1 ILE 34 5.288 9.949 -2.685 273 HD13 ILE 34 2HD1 ILE 34 3.657 9.307 -2.492 274 H THR 35 H THR 35 -0.082 13.701 -4.698 275 HA THR 35 HA THR 35 -0.310 13.047 -7.549 276 HB THR 35 HB THR 35 -2.259 14.810 -7.300 277 HG1 THR 35 HG1 THR 35 -1.901 15.398 -5.166 278 HG21 THR 35 3HG2 THR 35 -3.132 12.386 -5.955 279 HG22 THR 35 1HG2 THR 35 -2.101 12.046 -7.344 280 HG23 THR 35 2HG2 THR 35 -3.564 13.010 -7.546 281 H LEU 36 H LEU 36 1.213 14.114 -8.675 282 HA LEU 36 HA LEU 36 1.510 17.004 -8.179 283 HB2 LEU 36 2HB LEU 36 3.750 16.768 -9.232 284 HB3 LEU 36 3HB LEU 36 3.569 15.912 -7.701 285 HG LEU 36 HG LEU 36 2.964 14.144 -9.880 286 HD11 LEU 36 1HD1 LEU 36 4.417 15.696 -11.155 287 HD12 LEU 36 2HD1 LEU 36 5.089 14.074 -10.997 288 HD13 LEU 36 3HD1 LEU 36 5.708 15.386 -9.994 289 HD21 LEU 36 3HD2 LEU 36 3.845 13.840 -7.420 290 HD22 LEU 36 1HD2 LEU 36 5.419 13.939 -8.210 291 HD23 LEU 36 2HD2 LEU 36 4.270 12.690 -8.689 292 HA PRO 37 HA PRO 37 0.063 17.854 -12.236 293 HB2 PRO 37 2HB PRO 37 1.507 20.069 -12.849 294 HB3 PRO 37 3HB PRO 37 0.181 20.080 -11.680 295 HG2 PRO 37 2HG PRO 37 3.132 19.937 -11.196 296 HG3 PRO 37 3HG PRO 37 1.904 20.893 -10.347 297 HD2 PRO 37 2HD PRO 37 2.887 18.574 -9.355 298 HD3 PRO 37 3HD PRO 37 1.219 19.106 -9.063 299 H GLU 38 H GLU 38 0.493 17.003 -14.174 300 HA GLU 38 HA GLU 38 2.986 17.265 -15.501 301 HB2 GLU 38 2HB GLU 38 2.723 15.030 -13.725 302 HB3 GLU 38 3HB GLU 38 2.794 14.443 -15.381 303 HG2 GLU 38 2HG GLU 38 4.883 15.564 -15.749 304 HG3 GLU 38 3HG GLU 38 4.792 16.335 -14.166 305 H GLY 39 H GLY 39 0.489 14.715 -15.355 306 HA2 GLY 39 2HA GLY 39 -1.351 15.072 -17.077 307 HA3 GLY 39 3HA GLY 39 -0.022 15.214 -18.218 308 H SER 40 H SER 40 1.008 13.017 -16.044 309 HA SER 40 HA SER 40 -0.318 10.738 -17.333 310 HB2 SER 40 2HB SER 40 1.894 9.609 -17.566 311 HB3 SER 40 3HB SER 40 1.743 11.047 -18.577 312 HG SER 40 HG SER 40 3.016 10.952 -16.040 313 H ASP 41 H ASP 41 -1.321 9.823 -15.654 314 HA ASP 41 HA ASP 41 0.140 9.531 -13.120 315 HB2 ASP 41 2HB ASP 41 -1.845 9.664 -11.998 316 HB3 ASP 41 3HB ASP 41 -2.309 10.559 -13.442 317 H VAL 42 H VAL 42 -1.301 7.785 -15.745 318 HA VAL 42 HA VAL 42 -0.518 5.256 -14.449 319 HB VAL 42 HB VAL 42 -2.850 5.678 -16.323 320 HG11 VAL 42 1HG1 VAL 42 -2.350 3.534 -16.845 321 HG12 VAL 42 2HG1 VAL 42 -1.445 3.267 -15.354 322 HG13 VAL 42 3HG1 VAL 42 -3.208 3.208 -15.339 323 HG21 VAL 42 3HG2 VAL 42 -4.128 5.996 -14.531 324 HG22 VAL 42 1HG2 VAL 42 -3.508 4.527 -13.777 325 HG23 VAL 42 2HG2 VAL 42 -2.665 6.059 -13.548 326 H TRP 43 H TRP 43 0.669 3.841 -15.636 327 HA TRP 43 HA TRP 43 1.293 4.624 -18.408 328 HB2 TRP 43 2HB TRP 43 3.052 4.543 -16.259 329 HB3 TRP 43 3HB TRP 43 3.356 3.030 -17.109 330 HD1 TRP 43 HD1 TRP 43 2.599 6.525 -18.619 331 HE1 TRP 43 HE1 TRP 43 4.521 7.124 -20.222 332 HE3 TRP 43 HE3 TRP 43 5.605 2.463 -17.839 333 HZ2 TRP 43 HZ2 TRP 43 6.985 6.021 -21.048 334 HZ3 TRP 43 HZ3 TRP 43 7.727 2.312 -19.075 335 HH2 TRP 43 HH2 TRP 43 8.401 4.055 -20.646 336 H VAL 44 H VAL 44 0.306 3.222 -19.712 337 HA VAL 44 HA VAL 44 0.072 0.416 -18.911 338 HB VAL 44 HB VAL 44 -1.192 1.871 -21.239 339 HG11 VAL 44 1HG1 VAL 44 -2.652 -0.171 -21.314 340 HG12 VAL 44 2HG1 VAL 44 -0.978 -0.429 -21.811 341 HG13 VAL 44 3HG1 VAL 44 -1.513 -0.941 -20.210 342 HG21 VAL 44 3HG2 VAL 44 -3.256 1.743 -19.948 343 HG22 VAL 44 1HG2 VAL 44 -2.390 0.969 -18.621 344 HG23 VAL 44 2HG2 VAL 44 -2.021 2.636 -19.062 345 H CYS 45 H CYS 45 1.569 -0.964 -19.571 346 HA CYS 45 HA CYS 45 3.165 -0.331 -21.942 347 HB2 CYS 45 2HB CYS 45 3.637 -2.547 -19.945 348 HB3 CYS 45 3HB CYS 45 4.776 -1.908 -21.124 349 HG CYS 45 HG CYS 45 3.722 -0.456 -18.225 350 H CYS 46 H CYS 46 1.983 -0.966 -23.683 351 HA CYS 46 HA CYS 46 0.547 -3.451 -23.736 352 HB2 CYS 46 2HB CYS 46 1.215 -1.496 -25.947 353 HB3 CYS 46 3HB CYS 46 0.134 -2.874 -26.118 354 HG CYS 46 HG CYS 46 -1.868 -1.923 -24.560 355 H LEU 47 H LEU 47 0.923 -4.913 -25.736 356 HA LEU 47 HA LEU 47 3.470 -6.113 -25.433 357 HB2 LEU 47 2HB LEU 47 2.670 -7.811 -26.733 358 HB3 LEU 47 3HB LEU 47 1.161 -7.102 -26.163 359 HG LEU 47 HG LEU 47 2.409 -6.596 -28.864 360 HD11 LEU 47 1HD1 LEU 47 1.361 -8.392 -29.637 361 HD12 LEU 47 2HD1 LEU 47 -0.152 -7.910 -28.871 362 HD13 LEU 47 3HD1 LEU 47 1.033 -8.851 -27.966 363 HD21 LEU 47 3HD2 LEU 47 0.358 -5.461 -29.398 364 HD22 LEU 47 1HD2 LEU 47 1.049 -4.735 -27.946 365 HD23 LEU 47 2HD2 LEU 47 -0.316 -5.845 -27.813 366 HA PRO 48 HA PRO 48 5.947 -4.127 -28.463 367 HB2 PRO 48 2HB PRO 48 7.439 -6.196 -29.396 368 HB3 PRO 48 3HB PRO 48 7.669 -5.491 -27.791 369 HG2 PRO 48 2HG PRO 48 6.187 -7.971 -28.576 370 HG3 PRO 48 3HG PRO 48 7.285 -7.710 -27.209 371 HD2 PRO 48 2HD PRO 48 4.591 -7.682 -26.939 372 HD3 PRO 48 3HD PRO 48 5.662 -6.679 -25.938 373 H ARG 49 H ARG 49 4.834 -3.386 -30.194 374 HA ARG 49 HA ARG 49 4.776 -5.005 -32.573 375 HB2 ARG 49 2HB ARG 49 2.415 -4.943 -32.973 376 HB3 ARG 49 3HB ARG 49 2.668 -5.636 -31.377 377 HG2 ARG 49 2HG ARG 49 1.045 -4.202 -30.789 378 HG3 ARG 49 3HG ARG 49 2.372 -3.041 -30.723 379 HD2 ARG 49 2HD ARG 49 0.493 -2.134 -31.974 380 HD3 ARG 49 3HD ARG 49 1.892 -2.363 -33.023 381 HE ARG 49 HE ARG 49 0.080 -4.588 -33.041 382 HH11 ARG 49 1HH1 ARG 49 0.766 -1.460 -34.405 383 HH12 ARG 49 2HH1 ARG 49 -0.101 -1.765 -35.873 384 HH21 ARG 49 2HH2 ARG 49 -1.144 -3.779 -36.193 385 HH22 ARG 49 1HH2 ARG 49 -1.065 -5.002 -34.970 386 H ASP 50 H ASP 50 4.023 -2.004 -30.924 387 HA ASP 50 HA ASP 50 4.260 -0.560 -33.478 388 HB2 ASP 50 2HB ASP 50 2.360 -0.337 -31.440 389 HB3 ASP 50 3HB ASP 50 3.398 1.072 -31.242 390 H SER 51 H SER 51 6.309 -1.594 -31.370 391 HA SER 51 HA SER 51 8.409 -0.956 -30.752 392 HB2 SER 51 2HB SER 51 8.163 0.359 -33.020 393 HB3 SER 51 3HB SER 51 8.068 1.764 -31.959 394 HG SER 51 HG SER 51 10.160 1.646 -31.935 395 H LEU 52 H LEU 52 6.978 -0.923 -28.701 396 HA LEU 52 HA LEU 52 6.691 -0.058 -26.616 397 HB2 LEU 52 2HB LEU 52 8.289 2.338 -27.456 398 HB3 LEU 52 3HB LEU 52 8.117 1.643 -25.846 399 HG LEU 52 HG LEU 52 9.294 -0.374 -27.364 400 HD11 LEU 52 1HD1 LEU 52 10.128 2.316 -28.285 401 HD12 LEU 52 2HD1 LEU 52 10.084 0.781 -29.151 402 HD13 LEU 52 3HD1 LEU 52 11.393 1.116 -28.018 403 HD21 LEU 52 3HD2 LEU 52 11.379 0.654 -26.030 404 HD22 LEU 52 1HD2 LEU 52 10.101 -0.282 -25.254 405 HD23 LEU 52 2HD2 LEU 52 10.062 1.481 -25.197 406 H THR 53 H THR 53 4.457 0.206 -27.331 407 HA THR 53 HA THR 53 3.651 2.939 -27.977 408 HB THR 53 HB THR 53 1.520 0.954 -27.610 409 HG1 THR 53 HG1 THR 53 2.198 -0.485 -29.031 410 HG21 THR 53 3HG2 THR 53 0.749 1.869 -29.716 411 HG22 THR 53 1HG2 THR 53 2.292 2.687 -29.960 412 HG23 THR 53 2HG2 THR 53 1.228 3.185 -28.645 413 H LEU 54 H LEU 54 4.710 2.518 -25.385 414 HA LEU 54 HA LEU 54 2.893 2.036 -23.356 415 HB2 LEU 54 2HB LEU 54 5.004 4.179 -23.274 416 HB3 LEU 54 3HB LEU 54 4.330 3.282 -21.915 417 HG LEU 54 HG LEU 54 5.619 1.578 -23.908 418 HD11 LEU 54 1HD1 LEU 54 7.381 2.913 -24.278 419 HD12 LEU 54 2HD1 LEU 54 7.867 2.441 -22.650 420 HD13 LEU 54 3HD1 LEU 54 7.007 3.959 -22.907 421 HD21 LEU 54 3HD2 LEU 54 5.837 0.293 -22.109 422 HD22 LEU 54 1HD2 LEU 54 4.941 1.516 -21.207 423 HD23 LEU 54 2HD2 LEU 54 6.705 1.556 -21.235 424 H SER 55 H SER 55 1.066 2.984 -22.764 425 HA SER 55 HA SER 55 0.436 5.636 -23.826 426 HB2 SER 55 2HB SER 55 -1.095 3.493 -23.940 427 HB3 SER 55 3HB SER 55 -1.540 3.978 -22.304 428 HG SER 55 HG SER 55 -2.551 5.685 -23.069 429 H ALA 56 H ALA 56 0.763 7.347 -22.586 430 HA ALA 56 HA ALA 56 0.593 7.026 -19.661 431 HB1 ALA 56 1HB ALA 56 2.387 8.383 -19.363 432 HB2 ALA 56 2HB ALA 56 2.797 7.762 -20.963 433 HB3 ALA 56 3HB ALA 56 2.039 9.346 -20.799 434 H ALA 57 H ALA 57 -1.034 8.034 -18.694 435 HA ALA 57 HA ALA 57 -1.929 10.635 -19.585 436 HB1 ALA 57 1HB ALA 57 -3.169 8.697 -20.866 437 HB2 ALA 57 2HB ALA 57 -4.113 8.625 -19.377 438 HB3 ALA 57 3HB ALA 57 -4.039 10.125 -20.303 439 H ASN 58 H ASN 58 -3.051 11.775 -18.008 440 HA ASN 58 HA ASN 58 -3.198 10.448 -15.381 441 HB2 ASN 58 2HB ASN 58 -1.513 12.097 -15.213 442 HB3 ASN 58 3HB ASN 58 -2.450 13.267 -16.136 443 HD21 ASN 58 2HD2 ASN 58 -3.111 14.711 -13.030 444 HD22 ASN 58 1HD2 ASN 58 -2.216 14.805 -14.505 445 H SER 59 H SER 59 -5.276 9.926 -15.072 446 HA SER 59 HA SER 59 -7.540 10.089 -14.887 447 HB2 SER 59 2HB SER 59 -7.032 13.044 -14.494 448 HB3 SER 59 3HB SER 59 -8.396 12.104 -13.890 449 HG SER 59 HG SER 59 -6.842 10.909 -12.634 450 H GLU 60 H GLU 60 -6.389 10.353 -17.538 451 HA GLU 60 HA GLU 60 -8.473 11.993 -18.824 452 HB2 GLU 60 2HB GLU 60 -5.798 12.352 -19.103 453 HB3 GLU 60 3HB GLU 60 -6.110 11.235 -20.424 454 HG2 GLU 60 2HG GLU 60 -8.129 13.193 -20.526 455 HG3 GLU 60 3HG GLU 60 -6.602 14.039 -20.282 456 H ASP 61 H ASP 61 -6.896 8.905 -18.642 457 HA ASP 61 HA ASP 61 -8.259 7.848 -20.970 458 HB2 ASP 61 2HB ASP 61 -5.965 7.110 -20.378 459 HB3 ASP 61 3HB ASP 61 -6.599 6.406 -18.893 460 H GLU 62 H GLU 62 -10.377 7.494 -20.788 461 HA GLU 62 HA GLU 62 -11.316 5.768 -18.637 462 HB2 GLU 62 2HB GLU 62 -12.175 8.595 -19.051 463 HB3 GLU 62 3HB GLU 62 -13.388 7.420 -18.565 464 HG2 GLU 62 2HG GLU 62 -11.311 6.918 -16.836 465 HG3 GLU 62 3HG GLU 62 -11.273 8.671 -17.016 466 H GLY 63 H GLY 63 -10.928 5.834 -21.663 467 HA2 GLY 63 2HA GLY 63 -13.482 5.778 -22.883 468 HA3 GLY 63 3HA GLY 63 -12.014 5.066 -23.536 469 H GLN 64 H GLN 64 -11.686 2.894 -23.377 470 HA GLN 64 HA GLN 64 -13.703 1.341 -21.901 471 HB2 GLN 64 2HB GLN 64 -12.845 1.098 -24.756 472 HB3 GLN 64 3HB GLN 64 -13.325 -0.350 -23.880 473 HG2 GLN 64 2HG GLN 64 -15.116 2.023 -23.816 474 HG3 GLN 64 3HG GLN 64 -15.056 1.034 -25.274 475 HE21 GLN 64 2HE2 GLN 64 -17.627 -0.103 -22.710 476 HE22 GLN 64 1HE2 GLN 64 -17.175 1.478 -23.240 477 H ILE 65 H ILE 65 -12.848 -0.058 -20.518 478 HA ILE 65 HA ILE 65 -10.283 -1.319 -21.113 479 HB ILE 65 HB ILE 65 -9.627 0.622 -19.818 480 HG12 ILE 65 2HG1 ILE 65 -9.456 -1.443 -17.706 481 HG13 ILE 65 3HG1 ILE 65 -8.888 -1.931 -19.299 482 HG21 ILE 65 1HG2 ILE 65 -10.453 0.726 -17.394 483 HG22 ILE 65 2HG2 ILE 65 -11.544 1.284 -18.661 484 HG23 ILE 65 3HG2 ILE 65 -11.771 -0.310 -17.941 485 HD11 ILE 65 3HD1 ILE 65 -7.921 0.674 -18.327 486 HD12 ILE 65 1HD1 ILE 65 -7.340 -0.749 -17.463 487 HD13 ILE 65 2HD1 ILE 65 -7.076 -0.603 -19.201 488 H ARG 66 H ARG 66 -10.004 -3.320 -20.168 489 HA ARG 66 HA ARG 66 -12.155 -4.291 -18.419 490 HB2 ARG 66 2HB ARG 66 -11.113 -5.621 -20.920 491 HB3 ARG 66 3HB ARG 66 -12.050 -6.470 -19.698 492 HG2 ARG 66 2HG ARG 66 -13.380 -4.043 -20.479 493 HG3 ARG 66 3HG ARG 66 -13.014 -5.041 -21.888 494 HD2 ARG 66 2HD ARG 66 -13.959 -6.971 -20.408 495 HD3 ARG 66 3HD ARG 66 -14.722 -5.656 -19.515 496 HE ARG 66 HE ARG 66 -15.205 -5.377 -22.288 497 HH11 ARG 66 1HH1 ARG 66 -16.138 -7.273 -19.522 498 HH12 ARG 66 2HH1 ARG 66 -17.713 -7.642 -20.143 499 HH21 ARG 66 2HH2 ARG 66 -18.359 -6.836 -22.188 500 HH22 ARG 66 1HH2 ARG 66 -17.275 -5.855 -23.116 501 H TYR 67 H TYR 67 -11.498 -5.541 -16.760 502 HA TYR 67 HA TYR 67 -8.695 -5.746 -16.229 503 HB2 TYR 67 2HB TYR 67 -11.054 -6.908 -14.733 504 HB3 TYR 67 3HB TYR 67 -9.400 -6.840 -14.134 505 HD1 TYR 67 HD1 TYR 67 -8.452 -4.769 -13.330 506 HD2 TYR 67 HD2 TYR 67 -12.404 -4.876 -14.903 507 HE1 TYR 67 HE1 TYR 67 -8.882 -2.539 -12.386 508 HE2 TYR 67 HE2 TYR 67 -12.844 -2.645 -13.964 509 HH TYR 67 HH TYR 67 -11.272 -1.284 -11.644 510 H PHE 68 H PHE 68 -7.370 -7.320 -16.820 511 HA PHE 68 HA PHE 68 -8.524 -9.880 -17.690 512 HB2 PHE 68 2HB PHE 68 -7.305 -8.864 -19.471 513 HB3 PHE 68 3HB PHE 68 -5.948 -8.485 -18.416 514 HD1 PHE 68 HD1 PHE 68 -4.286 -10.119 -17.894 515 HD2 PHE 68 HD2 PHE 68 -7.686 -11.156 -20.236 516 HE1 PHE 68 HE1 PHE 68 -3.197 -12.230 -18.536 517 HE2 PHE 68 HE2 PHE 68 -6.602 -13.269 -20.881 518 HZ PHE 68 HZ PHE 68 -4.355 -13.809 -20.029 519 H LEU 69 H LEU 69 -7.736 -11.819 -16.923 520 HA LEU 69 HA LEU 69 -5.445 -12.153 -15.343 521 HB2 LEU 69 2HB LEU 69 -7.714 -11.076 -13.960 522 HB3 LEU 69 3HB LEU 69 -7.353 -12.688 -13.346 523 HG LEU 69 HG LEU 69 -5.142 -10.697 -13.584 524 HD11 LEU 69 1HD1 LEU 69 -6.346 -9.256 -12.341 525 HD12 LEU 69 2HD1 LEU 69 -5.897 -10.340 -11.025 526 HD13 LEU 69 3HD1 LEU 69 -7.475 -10.497 -11.796 527 HD21 LEU 69 3HD2 LEU 69 -5.781 -12.956 -11.691 528 HD22 LEU 69 1HD2 LEU 69 -4.362 -11.915 -11.579 529 HD23 LEU 69 2HD2 LEU 69 -4.577 -12.963 -12.981 530 HA PRO 70 HA PRO 70 -8.192 -16.098 -14.939 531 HB2 PRO 70 2HB PRO 70 -10.760 -15.937 -15.806 532 HB3 PRO 70 3HB PRO 70 -10.280 -15.555 -14.149 533 HG2 PRO 70 2HG PRO 70 -10.811 -13.705 -16.441 534 HG3 PRO 70 3HG PRO 70 -11.306 -13.556 -14.745 535 HD2 PRO 70 2HD PRO 70 -9.191 -12.210 -15.769 536 HD3 PRO 70 3HD PRO 70 -9.246 -12.762 -14.082 537 H ASP 71 H ASP 71 -8.005 -14.030 -17.609 538 HA ASP 71 HA ASP 71 -7.974 -14.333 -19.876 539 HB2 ASP 71 2HB ASP 71 -6.561 -16.146 -20.619 540 HB3 ASP 71 3HB ASP 71 -5.910 -15.505 -19.113 541 H ARG 72 H ARG 72 -10.451 -15.077 -18.617 542 HA ARG 72 HA ARG 72 -11.428 -16.943 -20.658 543 HB2 ARG 72 2HB ARG 72 -11.134 -17.687 -18.010 544 HB3 ARG 72 3HB ARG 72 -12.826 -17.219 -18.109 545 HG2 ARG 72 2HG ARG 72 -13.363 -18.927 -19.522 546 HG3 ARG 72 3HG ARG 72 -11.742 -19.009 -20.215 547 HD2 ARG 72 2HD ARG 72 -11.428 -20.798 -18.919 548 HD3 ARG 72 3HD ARG 72 -11.340 -19.668 -17.568 549 HE ARG 72 HE ARG 72 -13.319 -20.512 -16.824 550 HH11 ARG 72 1HH1 ARG 72 -13.051 -21.176 -20.231 551 HH12 ARG 72 2HH1 ARG 72 -14.512 -22.103 -20.298 552 HH21 ARG 72 2HH2 ARG 72 -15.760 -22.418 -18.403 553 HH22 ARG 72 1HH2 ARG 72 -15.245 -21.731 -16.900 554 H ASP 73 H ASP 73 -11.507 -14.005 -20.262 555 HA ASP 73 HA ASP 73 -14.348 -13.517 -19.783 556 HB2 ASP 73 2HB ASP 73 -12.450 -12.060 -18.834 557 HB3 ASP 73 3HB ASP 73 -12.298 -11.422 -20.469 558 H GLU 74 H GLU 74 -13.547 -15.001 -22.118 559 HA GLU 74 HA GLU 74 -13.995 -15.131 -24.344 560 HB2 GLU 74 2HB GLU 74 -15.655 -12.640 -23.971 561 HB3 GLU 74 3HB GLU 74 -15.851 -13.888 -25.194 562 HG2 GLU 74 2HG GLU 74 -16.105 -15.343 -22.924 563 HG3 GLU 74 3HG GLU 74 -16.786 -13.798 -22.419 564 H GLY 75 H GLY 75 -11.610 -13.894 -23.706 565 HA2 GLY 75 2HA GLY 75 -11.337 -12.065 -25.989 566 HA3 GLY 75 3HA GLY 75 -10.724 -11.558 -24.422 567 H MET 76 H MET 76 -9.735 -14.087 -23.575 568 HA MET 76 HA MET 76 -7.140 -14.020 -24.511 569 HB2 MET 76 2HB MET 76 -7.639 -15.158 -22.465 570 HB3 MET 76 3HB MET 76 -8.703 -16.292 -23.286 571 HG2 MET 76 2HG MET 76 -5.920 -16.232 -24.239 572 HG3 MET 76 3HG MET 76 -6.163 -16.831 -22.599 573 HE1 MET 76 3HE MET 76 -4.770 -18.349 -24.271 574 HE2 MET 76 1HE MET 76 -5.473 -19.959 -24.116 575 HE3 MET 76 2HE MET 76 -5.481 -19.140 -25.678 576 H MET 77 H MET 77 -9.924 -15.620 -25.860 577 HA MET 77 HA MET 77 -8.634 -17.461 -27.539 578 HB2 MET 77 2HB MET 77 -10.735 -17.397 -28.869 579 HB3 MET 77 3HB MET 77 -11.006 -17.624 -27.146 580 HG2 MET 77 2HG MET 77 -12.526 -16.013 -27.381 581 HG3 MET 77 3HG MET 77 -11.142 -14.922 -27.356 582 HE1 MET 77 3HE MET 77 -14.340 -14.973 -30.107 583 HE2 MET 77 1HE MET 77 -13.745 -16.616 -30.345 584 HE3 MET 77 2HE MET 77 -14.089 -16.031 -28.717 585 H GLU 78 H GLU 78 -9.526 -14.074 -28.031 586 HA GLU 78 HA GLU 78 -8.385 -14.092 -30.709 587 HB2 GLU 78 2HB GLU 78 -10.265 -12.436 -29.248 588 HB3 GLU 78 3HB GLU 78 -9.031 -11.460 -30.033 589 HG2 GLU 78 2HG GLU 78 -9.730 -13.239 -31.998 590 HG3 GLU 78 3HG GLU 78 -11.261 -12.937 -31.178 591 H GLU 79 H GLU 79 -7.478 -13.317 -27.495 592 HA GLU 79 HA GLU 79 -5.188 -11.729 -28.420 593 HB2 GLU 79 2HB GLU 79 -6.897 -11.528 -26.167 594 HB3 GLU 79 3HB GLU 79 -5.300 -11.953 -25.567 595 HG2 GLU 79 2HG GLU 79 -4.827 -9.791 -25.668 596 HG3 GLU 79 3HG GLU 79 -4.781 -9.982 -27.420 597 H GLY 80 H GLY 80 -5.594 -14.748 -28.502 598 HA2 GLY 80 2HA GLY 80 -2.904 -15.408 -27.702 599 HA3 GLY 80 3HA GLY 80 -4.134 -16.187 -26.718 600 H LYS 81 H LYS 81 -6.061 -16.597 -28.756 601 HA LYS 81 HA LYS 81 -4.760 -18.805 -30.172 602 HB2 LYS 81 2HB LYS 81 -7.029 -18.803 -28.707 603 HB3 LYS 81 3HB LYS 81 -7.701 -18.486 -30.301 604 HG2 LYS 81 2HG LYS 81 -7.482 -20.610 -30.888 605 HG3 LYS 81 3HG LYS 81 -5.777 -20.619 -30.428 606 HD2 LYS 81 2HD LYS 81 -7.722 -20.672 -28.207 607 HD3 LYS 81 3HD LYS 81 -7.661 -22.117 -29.217 608 HE2 LYS 81 2HE LYS 81 -5.071 -21.850 -28.889 609 HE3 LYS 81 3HE LYS 81 -5.558 -20.923 -27.470 610 HZ1 LYS 81 3HZ LYS 81 -6.929 -22.889 -26.826 611 HZ2 LYS 81 1HZ LYS 81 -5.259 -23.156 -26.792 612 HZ3 LYS 81 2HZ LYS 81 -6.185 -23.758 -28.073 613 H LEU 82 H LEU 82 -4.824 -15.843 -30.924 614 HA LEU 82 HA LEU 82 -5.736 -16.263 -33.691 615 HB2 LEU 82 2HB LEU 82 -6.753 -14.412 -31.837 616 HB3 LEU 82 3HB LEU 82 -5.775 -13.484 -32.972 617 HG LEU 82 HG LEU 82 -7.147 -14.730 -34.788 618 HD11 LEU 82 1HD1 LEU 82 -9.540 -15.028 -33.808 619 HD12 LEU 82 2HD1 LEU 82 -8.683 -15.291 -32.290 620 HD13 LEU 82 3HD1 LEU 82 -8.365 -16.336 -33.675 621 HD21 LEU 82 3HD2 LEU 82 -7.608 -12.528 -34.881 622 HD22 LEU 82 1HD2 LEU 82 -7.785 -12.382 -33.132 623 HD23 LEU 82 2HD2 LEU 82 -9.116 -13.011 -34.103 624 H ASP 83 H ASP 83 -3.782 -14.045 -31.692 625 HA ASP 83 HA ASP 83 -1.763 -14.055 -33.840 626 HB2 ASP 83 2HB ASP 83 -1.921 -11.846 -31.825 627 HB3 ASP 83 3HB ASP 83 -1.299 -11.811 -33.473 628 H ALA 84 H ALA 84 0.121 -14.947 -33.345 629 HA ALA 84 HA ALA 84 0.700 -16.136 -30.896 630 HB1 ALA 84 1HB ALA 84 2.369 -15.407 -33.268 631 HB2 ALA 84 2HB ALA 84 3.123 -16.072 -31.818 632 HB3 ALA 84 3HB ALA 84 1.895 -17.001 -32.679 633 H SER 85 H SER 85 1.169 -12.876 -31.968 634 HA SER 85 HA SER 85 3.169 -12.120 -30.105 635 HB2 SER 85 2HB SER 85 1.282 -10.017 -30.933 636 HB3 SER 85 3HB SER 85 3.037 -10.086 -31.094 637 HG SER 85 HG SER 85 2.583 -11.670 -32.826 638 H CYS 86 H CYS 86 -0.359 -12.069 -30.036 639 HA CYS 86 HA CYS 86 -0.552 -10.707 -27.539 640 HB2 CYS 86 2HB CYS 86 -2.593 -12.454 -28.931 641 HB3 CYS 86 3HB CYS 86 -2.920 -11.337 -27.611 642 HG CYS 86 HG CYS 86 -1.432 -9.735 -30.073 643 H ALA 87 H ALA 87 -0.593 -14.099 -28.519 644 HA ALA 87 HA ALA 87 -1.228 -15.175 -25.985 645 HB1 ALA 87 1HB ALA 87 -1.520 -16.849 -27.443 646 HB2 ALA 87 2HB ALA 87 -0.334 -16.199 -28.576 647 HB3 ALA 87 3HB ALA 87 0.199 -17.158 -27.195 648 H VAL 88 H VAL 88 1.852 -14.486 -27.587 649 HA VAL 88 HA VAL 88 3.473 -15.591 -25.522 650 HB VAL 88 HB VAL 88 4.148 -13.622 -27.710 651 HG11 VAL 88 1HG1 VAL 88 6.027 -13.236 -26.575 652 HG12 VAL 88 2HG1 VAL 88 5.683 -14.524 -25.418 653 HG13 VAL 88 3HG1 VAL 88 6.478 -14.900 -26.947 654 HG21 VAL 88 3HG2 VAL 88 5.179 -16.392 -27.705 655 HG22 VAL 88 1HG2 VAL 88 3.457 -16.193 -28.027 656 HG23 VAL 88 2HG2 VAL 88 4.645 -15.382 -29.048 657 H ALA 89 H ALA 89 2.310 -12.342 -26.273 658 HA ALA 89 HA ALA 89 3.816 -10.950 -24.347 659 HB1 ALA 89 1HB ALA 89 2.161 -9.160 -24.621 660 HB2 ALA 89 2HB ALA 89 2.689 -9.810 -26.173 661 HB3 ALA 89 3HB ALA 89 1.119 -10.269 -25.514 662 H ILE 90 H ILE 90 0.561 -12.364 -24.202 663 HA ILE 90 HA ILE 90 0.034 -11.536 -21.538 664 HB ILE 90 HB ILE 90 -1.201 -13.762 -23.162 665 HG12 ILE 90 2HG1 ILE 90 -2.315 -11.030 -22.518 666 HG13 ILE 90 3HG1 ILE 90 -1.424 -11.380 -23.995 667 HG21 ILE 90 1HG2 ILE 90 -1.543 -14.204 -20.818 668 HG22 ILE 90 2HG2 ILE 90 -2.072 -12.544 -20.546 669 HG23 ILE 90 3HG2 ILE 90 -3.054 -13.633 -21.526 670 HD11 ILE 90 3HD1 ILE 90 -4.176 -12.033 -23.250 671 HD12 ILE 90 1HD1 ILE 90 -3.453 -11.783 -24.839 672 HD13 ILE 90 2HD1 ILE 90 -3.290 -13.343 -24.031 673 H GLU 91 H GLU 91 1.106 -14.627 -22.932 674 HA GLU 91 HA GLU 91 1.226 -16.097 -20.566 675 HB2 GLU 91 2HB GLU 91 1.428 -17.073 -22.828 676 HB3 GLU 91 3HB GLU 91 3.022 -16.349 -22.985 677 HG2 GLU 91 2HG GLU 91 2.725 -17.971 -20.584 678 HG3 GLU 91 3HG GLU 91 2.489 -18.874 -22.079 679 H GLU 92 H GLU 92 3.543 -13.875 -22.004 680 HA GLU 92 HA GLU 92 5.662 -14.479 -20.189 681 HB2 GLU 92 2HB GLU 92 6.059 -13.490 -22.413 682 HB3 GLU 92 3HB GLU 92 5.232 -12.025 -21.902 683 HG2 GLU 92 2HG GLU 92 7.081 -11.221 -20.996 684 HG3 GLU 92 3HG GLU 92 7.314 -12.685 -20.042 685 H ALA 93 H ALA 93 3.232 -11.904 -20.384 686 HA ALA 93 HA ALA 93 4.086 -10.373 -18.212 687 HB1 ALA 93 1HB ALA 93 2.459 -9.494 -19.726 688 HB2 ALA 93 2HB ALA 93 1.320 -10.783 -19.334 689 HB3 ALA 93 3HB ALA 93 1.727 -9.567 -18.123 690 H ILE 94 H ILE 94 1.957 -13.191 -18.336 691 HA ILE 94 HA ILE 94 1.362 -13.099 -15.524 692 HB ILE 94 HB ILE 94 0.221 -15.218 -15.863 693 HG12 ILE 94 2HG1 ILE 94 1.389 -15.117 -18.653 694 HG13 ILE 94 3HG1 ILE 94 1.819 -16.267 -17.392 695 HG21 ILE 94 1HG2 ILE 94 -1.537 -14.392 -17.096 696 HG22 ILE 94 2HG2 ILE 94 -0.662 -12.911 -16.707 697 HG23 ILE 94 3HG2 ILE 94 -0.484 -13.648 -18.299 698 HD11 ILE 94 3HD1 ILE 94 -0.554 -17.051 -17.427 699 HD12 ILE 94 1HD1 ILE 94 -0.798 -16.035 -18.847 700 HD13 ILE 94 2HD1 ILE 94 0.361 -17.364 -18.902 701 H GLN 95 H GLN 95 3.672 -14.725 -17.587 702 HA GLN 95 HA GLN 95 4.531 -16.664 -15.708 703 HB2 GLN 95 2HB GLN 95 5.015 -17.009 -18.029 704 HB3 GLN 95 3HB GLN 95 5.868 -15.475 -18.139 705 HG2 GLN 95 2HG GLN 95 6.853 -17.544 -16.240 706 HG3 GLN 95 3HG GLN 95 7.172 -17.732 -17.963 707 HE21 GLN 95 2HE2 GLN 95 9.679 -15.603 -15.911 708 HE22 GLN 95 1HE2 GLN 95 8.706 -16.924 -15.371 709 H LEU 96 H LEU 96 5.366 -13.324 -16.279 710 HA LEU 96 HA LEU 96 7.621 -13.454 -14.437 711 HB2 LEU 96 2HB LEU 96 7.976 -11.110 -15.035 712 HB3 LEU 96 3HB LEU 96 7.906 -12.153 -16.454 713 HG LEU 96 HG LEU 96 5.387 -11.367 -16.485 714 HD11 LEU 96 1HD1 LEU 96 6.379 -9.858 -14.355 715 HD12 LEU 96 2HD1 LEU 96 4.834 -9.660 -15.181 716 HD13 LEU 96 3HD1 LEU 96 6.239 -8.733 -15.706 717 HD21 LEU 96 3HD2 LEU 96 7.759 -9.765 -17.429 718 HD22 LEU 96 1HD2 LEU 96 6.098 -9.468 -17.943 719 HD23 LEU 96 2HD2 LEU 96 6.876 -11.006 -18.319 720 H TYR 97 H TYR 97 4.350 -12.206 -14.627 721 HA TYR 97 HA TYR 97 4.432 -10.605 -12.298 722 HB2 TYR 97 2HB TYR 97 2.684 -10.384 -14.021 723 HB3 TYR 97 3HB TYR 97 2.059 -11.971 -13.587 724 HD1 TYR 97 HD1 TYR 97 3.211 -9.232 -11.345 725 HD2 TYR 97 HD2 TYR 97 -0.080 -11.526 -12.762 726 HE1 TYR 97 HE1 TYR 97 1.764 -8.191 -9.650 727 HE2 TYR 97 HE2 TYR 97 -1.536 -10.491 -11.071 728 HH TYR 97 HH TYR 97 -1.533 -9.276 -9.134 729 H GLU 98 H GLU 98 3.474 -13.969 -12.863 730 HA GLU 98 HA GLU 98 2.737 -14.437 -10.138 731 HB2 GLU 98 2HB GLU 98 2.369 -16.694 -10.780 732 HB3 GLU 98 3HB GLU 98 1.861 -15.704 -12.141 733 HG2 GLU 98 2HG GLU 98 4.221 -16.121 -13.062 734 HG3 GLU 98 3HG GLU 98 4.294 -17.423 -11.875 735 H GLU 99 H GLU 99 5.693 -14.207 -11.750 736 HA GLU 99 HA GLU 99 7.104 -16.017 -9.958 737 HB2 GLU 99 2HB GLU 99 7.675 -14.696 -12.509 738 HB3 GLU 99 3HB GLU 99 9.033 -14.677 -11.393 739 HG2 GLU 99 2HG GLU 99 7.559 -17.220 -11.912 740 HG3 GLU 99 3HG GLU 99 8.762 -16.636 -13.061 741 H GLN 100 H GLN 100 6.477 -12.627 -10.371 742 HA GLN 100 HA GLN 100 8.454 -11.932 -8.325 743 HB2 GLN 100 2HB GLN 100 6.815 -10.249 -10.219 744 HB3 GLN 100 3HB GLN 100 7.802 -9.563 -8.935 745 HG2 GLN 100 2HG GLN 100 9.278 -11.444 -10.577 746 HG3 GLN 100 3HG GLN 100 8.608 -10.108 -11.511 747 HE21 GLN 100 2HE2 GLN 100 11.680 -8.611 -10.653 748 HE22 GLN 100 1HE2 GLN 100 10.848 -9.535 -11.852 749 H LEU 101 H LEU 101 5.029 -12.162 -8.881 750 HA LEU 101 HA LEU 101 4.118 -10.587 -6.736 751 HB2 LEU 101 2HB LEU 101 2.658 -11.311 -8.535 752 HB3 LEU 101 3HB LEU 101 2.860 -12.993 -8.047 753 HG LEU 101 HG LEU 101 0.687 -11.736 -7.420 754 HD11 LEU 101 1HD1 LEU 101 2.007 -13.911 -6.382 755 HD12 LEU 101 2HD1 LEU 101 0.347 -13.439 -6.022 756 HD13 LEU 101 3HD1 LEU 101 1.657 -12.938 -4.954 757 HD21 LEU 101 3HD2 LEU 101 2.139 -10.936 -4.958 758 HD22 LEU 101 1HD2 LEU 101 0.687 -10.255 -5.691 759 HD23 LEU 101 2HD2 LEU 101 2.273 -9.888 -6.371 760 H LYS 102 H LYS 102 4.968 -14.013 -6.954 761 HA LYS 102 HA LYS 102 4.209 -14.630 -4.275 762 HB2 LYS 102 2HB LYS 102 5.084 -16.059 -6.555 763 HB3 LYS 102 3HB LYS 102 6.220 -16.424 -5.262 764 HG2 LYS 102 2HG LYS 102 4.774 -17.805 -4.317 765 HG3 LYS 102 3HG LYS 102 3.543 -16.541 -4.252 766 HD2 LYS 102 2HD LYS 102 2.603 -18.290 -5.530 767 HD3 LYS 102 3HD LYS 102 3.089 -17.054 -6.694 768 HE2 LYS 102 2HE LYS 102 4.284 -18.589 -7.764 769 HE3 LYS 102 3HE LYS 102 5.314 -18.738 -6.341 770 HZ1 LYS 102 3HZ LYS 102 3.847 -20.733 -7.386 771 HZ2 LYS 102 1HZ LYS 102 2.820 -20.178 -6.161 772 HZ3 LYS 102 2HZ LYS 102 4.390 -20.681 -5.784 773 H ALA 103 H ALA 103 7.210 -13.672 -5.847 774 HA ALA 103 HA ALA 103 9.023 -14.201 -3.811 775 HB1 ALA 103 1HB ALA 103 9.964 -13.576 -5.843 776 HB2 ALA 103 2HB ALA 103 8.953 -12.137 -5.981 777 HB3 ALA 103 3HB ALA 103 10.270 -12.180 -4.809 778 H GLN 104 H GLN 104 6.749 -11.558 -4.177 779 HA GLN 104 HA GLN 104 7.735 -10.372 -1.674 780 HB2 GLN 104 2HB GLN 104 5.811 -9.089 -3.605 781 HB3 GLN 104 3HB GLN 104 6.750 -8.315 -2.335 782 HG2 GLN 104 2HG GLN 104 8.793 -8.692 -3.556 783 HG3 GLN 104 3HG GLN 104 7.921 -9.596 -4.793 784 HE21 GLN 104 2HE2 GLN 104 7.264 -6.793 -6.675 785 HE22 GLN 104 1HE2 GLN 104 7.469 -8.504 -6.555 786 H ALA 105 H ALA 105 5.882 -12.737 -2.125 787 HA ALA 105 HA ALA 105 3.633 -11.732 -0.505 788 HB1 ALA 105 1HB ALA 105 2.236 -13.475 -1.477 789 HB2 ALA 105 2HB ALA 105 2.900 -12.429 -2.732 790 HB3 ALA 105 3HB ALA 105 3.591 -14.028 -2.460 791 H GLY 106 H GLY 106 6.308 -12.855 0.263 792 HA2 GLY 106 2HA GLY 106 6.574 -13.921 2.426 793 HA3 GLY 106 3HA GLY 106 5.267 -15.011 1.988 794 H GLY 107 H GLY 107 6.184 -15.581 -0.666 795 HA2 GLY 107 2HA GLY 107 8.184 -16.502 -1.703 796 HA3 GLY 107 3HA GLY 107 8.715 -16.991 -0.100 797 H THR 108 H THR 108 6.247 -17.578 -2.567 798 HA THR 108 HA THR 108 5.193 -19.489 -3.224 799 HB THR 108 HB THR 108 6.918 -21.171 -1.445 800 HG1 THR 108 HG1 THR 108 8.652 -20.889 -2.764 801 HG21 THR 108 3HG2 THR 108 5.316 -22.353 -2.770 802 HG22 THR 108 1HG2 THR 108 6.898 -22.610 -3.503 803 HG23 THR 108 2HG2 THR 108 5.771 -21.459 -4.220 804 H ASN 109 H ASN 109 3.641 -18.309 -1.619 805 HA ASN 109 HA ASN 109 2.043 -18.429 0.001 806 HB2 ASN 109 2HB ASN 109 2.317 -21.424 -0.252 807 HB3 ASN 109 3HB ASN 109 0.877 -20.498 0.165 808 HD21 ASN 109 2HD2 ASN 109 0.903 -21.653 -3.426 809 HD22 ASN 109 1HD2 ASN 109 1.271 -22.458 -1.942 810 H GLU 110 H GLU 110 4.714 -18.229 0.952 811 HA GLU 110 HA GLU 110 5.870 -18.297 2.911 812 HB2 GLU 110 2HB GLU 110 3.280 -18.060 3.665 813 HB3 GLU 110 3HB GLU 110 3.695 -19.578 4.450 814 HG2 GLU 110 2HG GLU 110 5.813 -17.815 4.979 815 HG3 GLU 110 3HG GLU 110 4.327 -16.900 5.228 Start of MODEL 12 1 H1 MET 1 H MET 1 3.469 -2.464 -0.273 2 HA MET 1 HA MET 1 3.603 0.251 -1.376 3 HB2 MET 1 2HB MET 1 5.650 -1.931 -1.715 4 HB3 MET 1 3HB MET 1 5.484 -0.628 -2.885 5 HG2 MET 1 2HG MET 1 5.604 0.566 -0.335 6 HG3 MET 1 3HG MET 1 6.876 -0.651 -0.401 7 HE1 MET 1 3HE MET 1 9.555 0.531 -1.872 8 HE2 MET 1 1HE MET 1 9.164 1.867 -0.788 9 HE3 MET 1 2HE MET 1 8.737 0.215 -0.341 10 H ILE 2 H ILE 2 1.616 0.046 -2.359 11 HA ILE 2 HA ILE 2 1.493 -1.915 -4.552 12 HB ILE 2 HB ILE 2 -1.011 -1.917 -4.221 13 HG12 ILE 2 2HG1 ILE 2 -0.709 -1.255 -1.372 14 HG13 ILE 2 3HG1 ILE 2 -0.510 0.118 -2.456 15 HG21 ILE 2 1HG2 ILE 2 0.255 -3.843 -3.607 16 HG22 ILE 2 2HG2 ILE 2 0.792 -3.082 -2.110 17 HG23 ILE 2 3HG2 ILE 2 -0.901 -3.531 -2.313 18 HD11 ILE 2 3HD1 ILE 2 -2.889 -0.922 -1.506 19 HD12 ILE 2 1HD1 ILE 2 -2.691 0.247 -2.811 20 HD13 ILE 2 2HD1 ILE 2 -2.805 -1.475 -3.178 21 HA PRO 3 HA PRO 3 0.984 2.430 -6.139 22 HB2 PRO 3 2HB PRO 3 2.742 2.142 -8.188 23 HB3 PRO 3 3HB PRO 3 3.233 2.634 -6.562 24 HG2 PRO 3 2HG PRO 3 3.370 -0.067 -7.847 25 HG3 PRO 3 3HG PRO 3 4.576 0.756 -6.841 26 HD2 PRO 3 2HD PRO 3 2.934 -1.165 -5.868 27 HD3 PRO 3 3HD PRO 3 3.509 0.192 -4.878 28 H SER 4 H SER 4 -0.368 2.996 -7.775 29 HA SER 4 HA SER 4 -1.902 2.776 -9.441 30 HB2 SER 4 2HB SER 4 0.091 2.431 -10.835 31 HB3 SER 4 3HB SER 4 0.055 0.706 -10.472 32 HG SER 4 HG SER 4 -0.991 1.578 -12.511 33 H PHE 5 H PHE 5 -2.190 1.180 -7.041 34 HA PHE 5 HA PHE 5 -3.390 -0.561 -6.184 35 HB2 PHE 5 2HB PHE 5 -4.891 0.604 -8.374 36 HB3 PHE 5 3HB PHE 5 -5.298 -1.095 -8.158 37 HD1 PHE 5 HD1 PHE 5 -5.290 -1.593 -5.384 38 HD2 PHE 5 HD2 PHE 5 -6.468 1.956 -7.416 39 HE1 PHE 5 HE1 PHE 5 -6.755 -1.003 -3.497 40 HE2 PHE 5 HE2 PHE 5 -7.933 2.553 -5.532 41 HZ PHE 5 HZ PHE 5 -8.078 1.073 -3.569 42 H ALA 6 H ALA 6 -1.746 -2.129 -6.300 43 HA ALA 6 HA ALA 6 -0.856 -4.153 -6.840 44 HB1 ALA 6 1HB ALA 6 -2.641 -5.489 -6.780 45 HB2 ALA 6 2HB ALA 6 -3.654 -4.315 -7.620 46 HB3 ALA 6 3HB ALA 6 -2.620 -5.407 -8.541 47 HA PRO 7 HA PRO 7 0.682 -2.497 -10.855 48 HB2 PRO 7 2HB PRO 7 3.304 -2.777 -10.208 49 HB3 PRO 7 3HB PRO 7 2.350 -1.358 -9.760 50 HG2 PRO 7 2HG PRO 7 3.079 -3.747 -8.110 51 HG3 PRO 7 3HG PRO 7 3.084 -2.032 -7.659 52 HD2 PRO 7 2HD PRO 7 1.081 -3.716 -6.962 53 HD3 PRO 7 3HD PRO 7 0.809 -1.993 -7.291 54 H GLY 8 H GLY 8 0.819 -3.834 -12.541 55 HA2 GLY 8 2HA GLY 8 2.125 -5.589 -13.645 56 HA3 GLY 8 3HA GLY 8 2.076 -6.476 -12.129 57 H THR 9 H THR 9 -0.783 -4.829 -13.128 58 HA THR 9 HA THR 9 -2.084 -7.412 -13.564 59 HB THR 9 HB THR 9 -3.529 -4.780 -13.432 60 HG1 THR 9 HG1 THR 9 -3.702 -5.359 -11.098 61 HG21 THR 9 3HG2 THR 9 -4.845 -6.701 -14.085 62 HG22 THR 9 1HG2 THR 9 -5.299 -6.215 -12.452 63 HG23 THR 9 2HG2 THR 9 -4.257 -7.617 -12.698 64 H LEU 10 H LEU 10 -2.872 -8.050 -15.482 65 HA LEU 10 HA LEU 10 -2.394 -6.323 -17.786 66 HB2 LEU 10 2HB LEU 10 -1.638 -8.747 -17.636 67 HB3 LEU 10 3HB LEU 10 -3.336 -9.177 -17.830 68 HG LEU 10 HG LEU 10 -1.898 -7.480 -19.849 69 HD11 LEU 10 1HD1 LEU 10 -0.561 -9.426 -19.778 70 HD12 LEU 10 2HD1 LEU 10 -1.658 -9.633 -21.142 71 HD13 LEU 10 3HD1 LEU 10 -1.968 -10.478 -19.625 72 HD21 LEU 10 3HD2 LEU 10 -4.262 -7.422 -20.080 73 HD22 LEU 10 1HD2 LEU 10 -4.392 -9.167 -19.860 74 HD23 LEU 10 2HD2 LEU 10 -3.652 -8.516 -21.323 75 H VAL 11 H VAL 11 -3.984 -5.095 -18.523 76 HA VAL 11 HA VAL 11 -6.749 -6.102 -18.329 77 HB VAL 11 HB VAL 11 -7.446 -3.678 -18.241 78 HG11 VAL 11 1HG1 VAL 11 -7.283 -3.560 -15.896 79 HG12 VAL 11 2HG1 VAL 11 -7.280 -5.283 -16.276 80 HG13 VAL 11 3HG1 VAL 11 -5.770 -4.464 -15.874 81 HG21 VAL 11 3HG2 VAL 11 -5.725 -2.100 -17.360 82 HG22 VAL 11 1HG2 VAL 11 -4.500 -3.316 -17.722 83 HG23 VAL 11 2HG2 VAL 11 -5.452 -2.607 -19.026 84 H TRP 12 H TRP 12 -8.147 -4.489 -19.846 85 HA TRP 12 HA TRP 12 -6.820 -4.557 -22.477 86 HB2 TRP 12 2HB TRP 12 -9.537 -5.391 -21.596 87 HB3 TRP 12 3HB TRP 12 -9.394 -4.654 -23.189 88 HD1 TRP 12 HD1 TRP 12 -6.377 -6.653 -22.266 89 HE1 TRP 12 HE1 TRP 12 -6.386 -8.893 -23.534 90 HE3 TRP 12 HE3 TRP 12 -11.156 -6.541 -24.078 91 HZ2 TRP 12 HZ2 TRP 12 -8.181 -10.411 -25.096 92 HZ3 TRP 12 HZ3 TRP 12 -11.941 -8.426 -25.451 93 HH2 TRP 12 HH2 TRP 12 -10.483 -10.319 -25.949 94 H LEU 13 H LEU 13 -6.800 -2.743 -23.672 95 HA LEU 13 HA LEU 13 -8.311 -0.430 -22.648 96 HB2 LEU 13 2HB LEU 13 -5.602 -0.673 -22.888 97 HB3 LEU 13 3HB LEU 13 -6.031 0.115 -24.405 98 HG LEU 13 HG LEU 13 -7.388 1.556 -22.440 99 HD11 LEU 13 1HD1 LEU 13 -4.572 0.939 -21.557 100 HD12 LEU 13 2HD1 LEU 13 -6.055 0.498 -20.710 101 HD13 LEU 13 3HD1 LEU 13 -5.608 2.195 -20.881 102 HD21 LEU 13 3HD2 LEU 13 -6.252 3.331 -23.325 103 HD22 LEU 13 1HD2 LEU 13 -5.993 2.141 -24.600 104 HD23 LEU 13 2HD2 LEU 13 -4.724 2.454 -23.415 105 H LYS 14 H LYS 14 -9.943 0.143 -23.906 106 HA LYS 14 HA LYS 14 -9.795 -0.441 -26.784 107 HB2 LYS 14 2HB LYS 14 -11.695 -1.348 -25.289 108 HB3 LYS 14 3HB LYS 14 -12.302 0.303 -25.297 109 HG2 LYS 14 2HG LYS 14 -11.663 -0.834 -27.936 110 HG3 LYS 14 3HG LYS 14 -13.021 -1.571 -27.082 111 HD2 LYS 14 2HD LYS 14 -13.155 1.293 -26.878 112 HD3 LYS 14 3HD LYS 14 -13.017 0.810 -28.570 113 HE2 LYS 14 2HE LYS 14 -14.895 -0.764 -28.227 114 HE3 LYS 14 3HE LYS 14 -15.060 -0.167 -26.577 115 HZ1 LYS 14 3HZ LYS 14 -16.606 1.074 -27.723 116 HZ2 LYS 14 1HZ LYS 14 -15.649 1.211 -29.111 117 HZ3 LYS 14 2HZ LYS 14 -15.271 2.114 -27.732 118 H GLN 15 H GLN 15 -9.394 1.206 -28.091 119 HA GLN 15 HA GLN 15 -9.418 3.910 -27.169 120 HB2 GLN 15 2HB GLN 15 -8.349 2.464 -29.390 121 HB3 GLN 15 3HB GLN 15 -9.259 3.838 -30.003 122 HG2 GLN 15 2HG GLN 15 -6.967 4.471 -29.707 123 HG3 GLN 15 3HG GLN 15 -7.961 5.321 -28.526 124 HE21 GLN 15 2HE2 GLN 15 -5.680 4.392 -26.096 125 HE22 GLN 15 1HE2 GLN 15 -6.497 5.651 -26.952 126 H ASP 16 H ASP 16 -10.412 5.571 -28.868 127 HA ASP 16 HA ASP 16 -13.204 5.445 -28.529 128 HB2 ASP 16 2HB ASP 16 -11.364 7.232 -30.084 129 HB3 ASP 16 3HB ASP 16 -13.108 7.376 -30.287 130 H ARG 17 H ARG 17 -11.269 5.239 -31.520 131 HA ARG 17 HA ARG 17 -13.537 3.840 -32.775 132 HB2 ARG 17 2HB ARG 17 -11.826 5.995 -33.685 133 HB3 ARG 17 3HB ARG 17 -11.777 4.634 -34.797 134 HG2 ARG 17 2HG ARG 17 -14.169 4.701 -35.062 135 HG3 ARG 17 3HG ARG 17 -14.301 5.963 -33.836 136 HD2 ARG 17 2HD ARG 17 -13.737 7.580 -35.281 137 HD3 ARG 17 3HD ARG 17 -12.444 6.616 -35.993 138 HE ARG 17 HE ARG 17 -14.981 5.653 -36.809 139 HH11 ARG 17 1HH1 ARG 17 -12.718 8.245 -37.340 140 HH12 ARG 17 2HH1 ARG 17 -13.242 8.545 -38.964 141 HH21 ARG 17 2HH2 ARG 17 -14.928 7.290 -39.876 142 HH22 ARG 17 1HH2 ARG 17 -15.680 6.039 -38.946 143 H PHE 18 H PHE 18 -10.238 3.630 -31.842 144 HA PHE 18 HA PHE 18 -9.550 1.459 -33.597 145 HB2 PHE 18 2HB PHE 18 -8.191 3.139 -31.663 146 HB3 PHE 18 3HB PHE 18 -7.749 1.448 -31.460 147 HD1 PHE 18 HD1 PHE 18 -5.612 1.250 -32.318 148 HD2 PHE 18 HD2 PHE 18 -8.566 3.352 -34.548 149 HE1 PHE 18 HE1 PHE 18 -4.050 1.431 -34.211 150 HE2 PHE 18 HE2 PHE 18 -7.009 3.536 -36.444 151 HZ PHE 18 HZ PHE 18 -4.748 2.574 -36.277 152 HA PRO 19 HA PRO 19 -10.985 -1.975 -31.275 153 HB2 PRO 19 2HB PRO 19 -9.005 -3.788 -31.681 154 HB3 PRO 19 3HB PRO 19 -10.149 -3.315 -32.943 155 HG2 PRO 19 2HG PRO 19 -7.346 -2.372 -32.476 156 HG3 PRO 19 3HG PRO 19 -8.142 -2.803 -34.001 157 HD2 PRO 19 2HD PRO 19 -7.814 -0.236 -33.203 158 HD3 PRO 19 3HD PRO 19 -9.209 -0.766 -34.165 159 H TRP 20 H TRP 20 -10.475 -3.449 -29.479 160 HA TRP 20 HA TRP 20 -8.908 -2.075 -27.464 161 HB2 TRP 20 2HB TRP 20 -9.848 -3.838 -25.942 162 HB3 TRP 20 3HB TRP 20 -11.064 -2.865 -26.766 163 HD1 TRP 20 HD1 TRP 20 -9.619 -6.410 -26.683 164 HE1 TRP 20 HE1 TRP 20 -11.253 -7.991 -27.890 165 HE3 TRP 20 HE3 TRP 20 -12.875 -2.940 -28.552 166 HZ2 TRP 20 HZ2 TRP 20 -13.610 -7.793 -29.430 167 HZ3 TRP 20 HZ3 TRP 20 -14.793 -3.718 -29.882 168 HH2 TRP 20 HH2 TRP 20 -15.151 -6.095 -30.311 169 H TRP 21 H TRP 21 -6.921 -2.618 -26.838 170 HA TRP 21 HA TRP 21 -5.886 -5.264 -27.624 171 HB2 TRP 21 2HB TRP 21 -4.615 -2.551 -27.826 172 HB3 TRP 21 3HB TRP 21 -3.614 -3.991 -27.668 173 HD1 TRP 21 HD1 TRP 21 -5.095 -5.977 -29.578 174 HE1 TRP 21 HE1 TRP 21 -5.126 -5.568 -32.119 175 HE3 TRP 21 HE3 TRP 21 -4.129 -0.957 -29.604 176 HZ2 TRP 21 HZ2 TRP 21 -4.784 -3.404 -33.899 177 HZ3 TRP 21 HZ3 TRP 21 -3.996 0.208 -31.768 178 HH2 TRP 21 HH2 TRP 21 -4.317 -0.993 -33.870 179 HA PRO 22 HA PRO 22 -4.761 -5.928 -23.434 180 HB2 PRO 22 2HB PRO 22 -2.516 -7.428 -23.722 181 HB3 PRO 22 3HB PRO 22 -4.136 -8.048 -24.062 182 HG2 PRO 22 2HG PRO 22 -2.066 -7.017 -25.962 183 HG3 PRO 22 3HG PRO 22 -3.114 -8.439 -26.114 184 HD2 PRO 22 2HD PRO 22 -3.640 -6.100 -27.372 185 HD3 PRO 22 3HD PRO 22 -4.923 -7.188 -26.804 186 H GLY 23 H GLY 23 -3.444 -5.153 -21.803 187 HA2 GLY 23 2HA GLY 23 -0.882 -3.959 -22.390 188 HA3 GLY 23 3HA GLY 23 -2.141 -2.788 -22.023 189 H PHE 24 H PHE 24 0.399 -3.928 -20.643 190 HA PHE 24 HA PHE 24 -0.695 -4.903 -18.144 191 HB2 PHE 24 2HB PHE 24 2.174 -4.123 -18.454 192 HB3 PHE 24 3HB PHE 24 1.471 -5.461 -17.552 193 HD1 PHE 24 HD1 PHE 24 -0.029 -6.998 -19.357 194 HD2 PHE 24 HD2 PHE 24 3.574 -4.859 -20.104 195 HE1 PHE 24 HE1 PHE 24 0.488 -8.524 -21.217 196 HE2 PHE 24 HE2 PHE 24 4.096 -6.380 -21.966 197 HZ PHE 24 HZ PHE 24 2.552 -8.216 -22.525 198 H VAL 25 H VAL 25 -1.154 -3.708 -16.413 199 HA VAL 25 HA VAL 25 -0.885 -0.847 -16.540 200 HB VAL 25 HB VAL 25 -1.916 -2.609 -14.312 201 HG11 VAL 25 1HG1 VAL 25 -1.606 0.327 -14.589 202 HG12 VAL 25 2HG1 VAL 25 -3.086 -0.270 -13.836 203 HG13 VAL 25 3HG1 VAL 25 -1.515 -0.692 -13.154 204 HG21 VAL 25 3HG2 VAL 25 -4.126 -1.557 -15.172 205 HG22 VAL 25 1HG2 VAL 25 -3.211 -1.268 -16.653 206 HG23 VAL 25 2HG2 VAL 25 -3.420 -2.913 -16.051 207 H MET 26 H MET 26 0.894 0.205 -15.981 208 HA MET 26 HA MET 26 2.415 -0.721 -13.649 209 HB2 MET 26 2HB MET 26 3.619 0.110 -16.295 210 HB3 MET 26 3HB MET 26 4.532 -0.209 -14.826 211 HG2 MET 26 2HG MET 26 3.325 -2.526 -14.940 212 HG3 MET 26 3HG MET 26 3.133 -2.107 -16.641 213 HE1 MET 26 3HE MET 26 6.052 -2.189 -18.350 214 HE2 MET 26 1HE MET 26 4.953 -0.919 -17.810 215 HE3 MET 26 2HE MET 26 6.650 -0.879 -17.329 216 H ASP 27 H ASP 27 3.263 0.879 -12.374 217 HA ASP 27 HA ASP 27 2.250 3.557 -12.868 218 HB2 ASP 27 2HB ASP 27 2.754 4.018 -10.585 219 HB3 ASP 27 3HB ASP 27 2.076 2.393 -10.627 220 HA PRO 28 HA PRO 28 6.032 5.210 -14.389 221 HB2 PRO 28 2HB PRO 28 5.665 7.818 -13.729 222 HB3 PRO 28 3HB PRO 28 4.796 7.030 -15.051 223 HG2 PRO 28 2HG PRO 28 3.885 7.594 -12.256 224 HG3 PRO 28 3HG PRO 28 3.002 7.788 -13.782 225 HD2 PRO 28 2HD PRO 28 2.632 5.663 -12.145 226 HD3 PRO 28 3HD PRO 28 2.478 5.547 -13.910 227 H ASP 29 H ASP 29 5.037 6.130 -11.110 228 HA ASP 29 HA ASP 29 7.466 5.396 -9.920 229 HB2 ASP 29 2HB ASP 29 7.927 7.651 -11.281 230 HB3 ASP 29 3HB ASP 29 7.287 8.363 -9.802 231 H GLU 30 H GLU 30 4.982 4.789 -9.200 232 HA GLU 30 HA GLU 30 3.559 4.716 -7.427 233 HB2 GLU 30 2HB GLU 30 6.027 5.887 -6.329 234 HB3 GLU 30 3HB GLU 30 4.577 6.225 -5.395 235 HG2 GLU 30 2HG GLU 30 4.160 3.942 -5.017 236 HG3 GLU 30 3HG GLU 30 5.319 3.447 -6.249 237 H VAL 31 H VAL 31 2.123 6.003 -8.785 238 HA VAL 31 HA VAL 31 1.903 8.826 -8.040 239 HB VAL 31 HB VAL 31 0.180 8.916 -9.857 240 HG11 VAL 31 1HG1 VAL 31 2.243 9.719 -10.527 241 HG12 VAL 31 2HG1 VAL 31 3.025 8.146 -10.363 242 HG13 VAL 31 3HG1 VAL 31 1.934 8.452 -11.715 243 HG21 VAL 31 3HG2 VAL 31 -0.351 7.121 -11.180 244 HG22 VAL 31 1HG2 VAL 31 1.173 6.294 -10.859 245 HG23 VAL 31 2HG2 VAL 31 -0.098 6.306 -9.636 246 H ARG 32 H ARG 32 1.037 6.282 -6.494 247 HA ARG 32 HA ARG 32 -1.822 6.730 -6.234 248 HB2 ARG 32 2HB ARG 32 -1.260 4.449 -6.134 249 HB3 ARG 32 3HB ARG 32 0.104 4.742 -5.064 250 HG2 ARG 32 2HG ARG 32 -1.780 3.662 -3.922 251 HG3 ARG 32 3HG ARG 32 -1.389 5.239 -3.233 252 HD2 ARG 32 2HD ARG 32 -3.390 6.088 -3.766 253 HD3 ARG 32 3HD ARG 32 -3.359 5.374 -5.378 254 HE ARG 32 HE ARG 32 -3.870 3.249 -3.807 255 HH11 ARG 32 1HH1 ARG 32 -5.300 6.416 -4.024 256 HH12 ARG 32 2HH1 ARG 32 -6.872 5.882 -3.529 257 HH21 ARG 32 2HH2 ARG 32 -7.232 3.675 -3.033 258 HH22 ARG 32 1HH2 ARG 32 -5.935 2.535 -3.154 259 H ASP 33 H ASP 33 1.142 7.281 -4.429 260 HA ASP 33 HA ASP 33 -0.402 8.564 -2.285 261 HB2 ASP 33 2HB ASP 33 1.700 6.787 -2.138 262 HB3 ASP 33 3HB ASP 33 2.490 8.341 -1.886 263 H ILE 34 H ILE 34 1.975 9.137 -4.771 264 HA ILE 34 HA ILE 34 2.062 11.980 -4.000 265 HB ILE 34 HB ILE 34 4.076 10.497 -5.691 266 HG12 ILE 34 2HG1 ILE 34 5.372 11.264 -3.397 267 HG13 ILE 34 3HG1 ILE 34 3.789 10.801 -2.782 268 HG21 ILE 34 1HG2 ILE 34 4.370 12.662 -6.337 269 HG22 ILE 34 2HG2 ILE 34 3.751 13.315 -4.821 270 HG23 ILE 34 3HG2 ILE 34 5.385 12.657 -4.894 271 HD11 ILE 34 3HD1 ILE 34 4.043 8.622 -3.932 272 HD12 ILE 34 1HD1 ILE 34 5.682 9.096 -4.379 273 HD13 ILE 34 2HD1 ILE 34 5.249 8.913 -2.679 274 H THR 35 H THR 35 0.675 13.106 -5.195 275 HA THR 35 HA THR 35 0.365 12.410 -8.039 276 HB THR 35 HB THR 35 -1.757 12.268 -6.989 277 HG1 THR 35 HG1 THR 35 -2.011 13.350 -8.899 278 HG21 THR 35 3HG2 THR 35 -0.743 14.461 -5.382 279 HG22 THR 35 1HG2 THR 35 -2.025 13.305 -5.026 280 HG23 THR 35 2HG2 THR 35 -2.385 14.763 -5.950 281 H LEU 36 H LEU 36 1.786 13.613 -9.160 282 HA LEU 36 HA LEU 36 1.866 16.507 -8.609 283 HB2 LEU 36 2HB LEU 36 3.960 14.540 -9.159 284 HB3 LEU 36 3HB LEU 36 4.081 16.002 -10.136 285 HG LEU 36 HG LEU 36 4.137 17.350 -8.077 286 HD11 LEU 36 1HD1 LEU 36 4.641 16.010 -5.950 287 HD12 LEU 36 2HD1 LEU 36 3.887 14.655 -6.789 288 HD13 LEU 36 3HD1 LEU 36 2.963 16.125 -6.480 289 HD21 LEU 36 3HD2 LEU 36 6.275 16.985 -8.824 290 HD22 LEU 36 1HD2 LEU 36 6.162 15.235 -8.632 291 HD23 LEU 36 2HD2 LEU 36 6.367 16.265 -7.215 292 HA PRO 37 HA PRO 37 0.306 17.320 -12.631 293 HB2 PRO 37 2HB PRO 37 1.567 19.652 -13.216 294 HB3 PRO 37 3HB PRO 37 0.260 19.538 -12.032 295 HG2 PRO 37 2HG PRO 37 3.219 19.614 -11.585 296 HG3 PRO 37 3HG PRO 37 1.932 20.456 -10.702 297 HD2 PRO 37 2HD PRO 37 3.104 18.201 -9.769 298 HD3 PRO 37 3HD PRO 37 1.403 18.596 -9.447 299 H GLU 38 H GLU 38 0.775 16.543 -14.590 300 HA GLU 38 HA GLU 38 3.274 16.995 -15.891 301 HB2 GLU 38 2HB GLU 38 3.475 14.953 -14.170 302 HB3 GLU 38 3HB GLU 38 2.796 14.084 -15.538 303 HG2 GLU 38 2HG GLU 38 5.127 13.874 -15.724 304 HG3 GLU 38 3HG GLU 38 4.649 15.064 -16.933 305 H GLY 39 H GLY 39 0.776 14.440 -15.911 306 HA2 GLY 39 2HA GLY 39 -0.991 14.991 -17.716 307 HA3 GLY 39 3HA GLY 39 0.404 14.956 -18.784 308 H SER 40 H SER 40 1.388 12.746 -16.796 309 HA SER 40 HA SER 40 -0.295 10.559 -17.797 310 HB2 SER 40 2HB SER 40 2.143 9.398 -17.971 311 HB3 SER 40 3HB SER 40 1.342 10.181 -19.332 312 HG SER 40 HG SER 40 2.826 11.663 -19.316 313 H ASP 41 H ASP 41 -1.051 9.616 -16.023 314 HA ASP 41 HA ASP 41 0.710 9.360 -13.684 315 HB2 ASP 41 2HB ASP 41 -1.127 9.505 -12.326 316 HB3 ASP 41 3HB ASP 41 -1.745 10.404 -13.709 317 H VAL 42 H VAL 42 -1.134 7.569 -16.033 318 HA VAL 42 HA VAL 42 -0.277 5.053 -14.756 319 HB VAL 42 HB VAL 42 -2.626 5.500 -16.604 320 HG11 VAL 42 1HG1 VAL 42 -1.384 3.044 -15.440 321 HG12 VAL 42 2HG1 VAL 42 -3.123 3.094 -15.741 322 HG13 VAL 42 3HG1 VAL 42 -1.989 3.330 -17.071 323 HG21 VAL 42 3HG2 VAL 42 -2.378 5.904 -13.826 324 HG22 VAL 42 1HG2 VAL 42 -3.848 5.922 -14.799 325 HG23 VAL 42 2HG2 VAL 42 -3.309 4.423 -14.044 326 H TRP 43 H TRP 43 0.855 3.586 -15.931 327 HA TRP 43 HA TRP 43 1.511 4.336 -18.705 328 HB2 TRP 43 2HB TRP 43 3.234 4.005 -16.518 329 HB3 TRP 43 3HB TRP 43 3.449 2.559 -17.500 330 HD1 TRP 43 HD1 TRP 43 2.893 6.190 -18.739 331 HE1 TRP 43 HE1 TRP 43 4.872 6.820 -20.259 332 HE3 TRP 43 HE3 TRP 43 5.705 1.954 -18.206 333 HZ2 TRP 43 HZ2 TRP 43 7.303 5.672 -21.119 334 HZ3 TRP 43 HZ3 TRP 43 7.844 1.800 -19.412 335 HH2 TRP 43 HH2 TRP 43 8.625 3.621 -20.838 336 H VAL 44 H VAL 44 0.440 3.042 -20.050 337 HA VAL 44 HA VAL 44 -0.028 0.248 -19.305 338 HB VAL 44 HB VAL 44 -1.163 1.843 -21.607 339 HG11 VAL 44 1HG1 VAL 44 -1.275 -1.000 -20.875 340 HG12 VAL 44 2HG1 VAL 44 -2.832 -0.262 -21.253 341 HG13 VAL 44 3HG1 VAL 44 -1.523 -0.218 -22.435 342 HG21 VAL 44 3HG2 VAL 44 -3.092 0.984 -19.673 343 HG22 VAL 44 1HG2 VAL 44 -1.812 1.895 -18.871 344 HG23 VAL 44 2HG2 VAL 44 -2.704 2.619 -20.208 345 H CYS 45 H CYS 45 1.416 -1.195 -19.955 346 HA CYS 45 HA CYS 45 3.017 -0.657 -22.346 347 HB2 CYS 45 2HB CYS 45 4.313 -1.218 -20.393 348 HB3 CYS 45 3HB CYS 45 3.345 -2.658 -20.105 349 HG CYS 45 HG CYS 45 6.150 -2.706 -21.419 350 H CYS 46 H CYS 46 1.780 -1.237 -24.069 351 HA CYS 46 HA CYS 46 0.181 -3.607 -24.105 352 HB2 CYS 46 2HB CYS 46 1.057 -1.770 -26.343 353 HB3 CYS 46 3HB CYS 46 -0.121 -3.065 -26.516 354 HG CYS 46 HG CYS 46 -1.904 -1.164 -26.324 355 H LEU 47 H LEU 47 0.480 -5.124 -26.097 356 HA LEU 47 HA LEU 47 2.886 -6.557 -25.685 357 HB2 LEU 47 2HB LEU 47 2.034 -8.151 -27.141 358 HB3 LEU 47 3HB LEU 47 0.595 -7.425 -26.428 359 HG LEU 47 HG LEU 47 1.683 -6.680 -29.139 360 HD11 LEU 47 1HD1 LEU 47 0.789 -8.524 -29.978 361 HD12 LEU 47 2HD1 LEU 47 -0.777 -8.082 -29.298 362 HD13 LEU 47 3HD1 LEU 47 0.349 -9.059 -28.355 363 HD21 LEU 47 3HD2 LEU 47 -0.853 -6.052 -27.648 364 HD22 LEU 47 1HD2 LEU 47 -0.684 -5.834 -29.390 365 HD23 LEU 47 2HD2 LEU 47 0.347 -4.927 -28.284 366 HA PRO 48 HA PRO 48 5.665 -4.824 -28.606 367 HB2 PRO 48 2HB PRO 48 7.026 -7.025 -29.426 368 HB3 PRO 48 3HB PRO 48 7.234 -6.309 -27.823 369 HG2 PRO 48 2HG PRO 48 5.594 -8.675 -28.643 370 HG3 PRO 48 3HG PRO 48 6.640 -8.476 -27.225 371 HD2 PRO 48 2HD PRO 48 3.947 -8.224 -27.095 372 HD3 PRO 48 3HD PRO 48 5.045 -7.292 -26.057 373 H ARG 49 H ARG 49 4.724 -4.030 -30.410 374 HA ARG 49 HA ARG 49 4.634 -5.699 -32.756 375 HB2 ARG 49 2HB ARG 49 2.355 -5.631 -33.227 376 HB3 ARG 49 3HB ARG 49 2.384 -5.943 -31.496 377 HG2 ARG 49 2HG ARG 49 2.110 -3.176 -32.627 378 HG3 ARG 49 3HG ARG 49 0.723 -4.224 -32.321 379 HD2 ARG 49 2HD ARG 49 1.269 -4.345 -29.981 380 HD3 ARG 49 3HD ARG 49 2.771 -3.461 -30.245 381 HE ARG 49 HE ARG 49 1.579 -1.497 -30.286 382 HH11 ARG 49 1HH1 ARG 49 -0.609 -4.198 -30.481 383 HH12 ARG 49 2HH1 ARG 49 -2.029 -3.231 -30.256 384 HH21 ARG 49 2HH2 ARG 49 -1.843 -0.965 -29.978 385 HH22 ARG 49 1HH2 ARG 49 -0.283 -0.214 -29.989 386 H ASP 50 H ASP 50 4.167 -2.603 -31.200 387 HA ASP 50 HA ASP 50 4.671 -1.259 -33.772 388 HB2 ASP 50 2HB ASP 50 2.652 -0.805 -31.903 389 HB3 ASP 50 3HB ASP 50 3.803 0.500 -31.629 390 H SER 51 H SER 51 6.469 -2.417 -31.516 391 HA SER 51 HA SER 51 8.577 -1.956 -30.776 392 HB2 SER 51 2HB SER 51 8.633 -0.681 -33.053 393 HB3 SER 51 3HB SER 51 8.501 0.763 -32.049 394 HG SER 51 HG SER 51 10.448 -1.220 -31.546 395 H LEU 52 H LEU 52 7.031 -1.789 -28.819 396 HA LEU 52 HA LEU 52 6.664 -0.883 -26.766 397 HB2 LEU 52 2HB LEU 52 9.066 0.435 -27.738 398 HB3 LEU 52 3HB LEU 52 8.152 1.442 -26.617 399 HG LEU 52 HG LEU 52 8.291 -0.305 -24.918 400 HD11 LEU 52 1HD1 LEU 52 10.312 -1.962 -26.045 401 HD12 LEU 52 2HD1 LEU 52 8.921 -1.950 -27.128 402 HD13 LEU 52 3HD1 LEU 52 8.719 -2.414 -25.439 403 HD21 LEU 52 3HD2 LEU 52 10.694 0.903 -26.149 404 HD22 LEU 52 1HD2 LEU 52 10.963 -0.362 -24.950 405 HD23 LEU 52 2HD2 LEU 52 10.040 1.078 -24.520 406 H THR 53 H THR 53 4.526 -0.390 -27.604 407 HA THR 53 HA THR 53 4.056 2.410 -28.308 408 HB THR 53 HB THR 53 1.716 0.640 -28.115 409 HG1 THR 53 HG1 THR 53 3.104 -0.915 -28.912 410 HG21 THR 53 3HG2 THR 53 2.781 2.253 -30.431 411 HG22 THR 53 1HG2 THR 53 1.794 2.933 -29.138 412 HG23 THR 53 2HG2 THR 53 1.131 1.681 -30.188 413 H LEU 54 H LEU 54 4.868 1.884 -25.647 414 HA LEU 54 HA LEU 54 2.864 1.591 -23.763 415 HB2 LEU 54 2HB LEU 54 5.152 3.523 -23.486 416 HB3 LEU 54 3HB LEU 54 4.311 2.652 -22.206 417 HG LEU 54 HG LEU 54 5.522 0.825 -24.092 418 HD11 LEU 54 1HD1 LEU 54 7.381 1.988 -24.552 419 HD12 LEU 54 2HD1 LEU 54 7.846 1.581 -22.901 420 HD13 LEU 54 3HD1 LEU 54 7.104 3.142 -23.248 421 HD21 LEU 54 3HD2 LEU 54 5.828 -0.369 -22.222 422 HD22 LEU 54 1HD2 LEU 54 4.799 0.846 -21.463 423 HD23 LEU 54 2HD2 LEU 54 6.554 0.987 -21.357 424 H SER 55 H SER 55 1.123 2.734 -23.257 425 HA SER 55 HA SER 55 0.916 5.489 -24.263 426 HB2 SER 55 2HB SER 55 -0.883 3.271 -24.309 427 HB3 SER 55 3HB SER 55 -1.601 4.543 -23.321 428 HG SER 55 HG SER 55 -1.557 4.423 -25.926 429 H ALA 56 H ALA 56 1.027 7.098 -22.855 430 HA ALA 56 HA ALA 56 0.519 6.519 -20.012 431 HB1 ALA 56 1HB ALA 56 2.185 7.973 -19.401 432 HB2 ALA 56 2HB ALA 56 2.834 7.351 -20.919 433 HB3 ALA 56 3HB ALA 56 2.045 8.928 -20.878 434 H ALA 57 H ALA 57 -0.955 7.688 -18.902 435 HA ALA 57 HA ALA 57 -1.981 10.187 -19.932 436 HB1 ALA 57 1HB ALA 57 -3.480 9.005 -21.200 437 HB2 ALA 57 2HB ALA 57 -3.546 7.656 -20.066 438 HB3 ALA 57 3HB ALA 57 -4.386 9.162 -19.695 439 H ASN 58 H ASN 58 -2.876 11.453 -18.357 440 HA ASN 58 HA ASN 58 -2.997 10.276 -15.658 441 HB2 ASN 58 2HB ASN 58 -1.172 11.870 -15.836 442 HB3 ASN 58 3HB ASN 58 -2.261 13.090 -16.491 443 HD21 ASN 58 2HD2 ASN 58 -2.023 14.150 -13.102 444 HD22 ASN 58 1HD2 ASN 58 -1.218 14.244 -14.628 445 H SER 59 H SER 59 -5.090 9.904 -15.247 446 HA SER 59 HA SER 59 -7.331 10.221 -14.990 447 HB2 SER 59 2HB SER 59 -6.113 12.241 -13.693 448 HB3 SER 59 3HB SER 59 -7.056 13.175 -14.855 449 HG SER 59 HG SER 59 -8.322 12.854 -13.056 450 H GLU 60 H GLU 60 -6.273 10.277 -17.691 451 HA GLU 60 HA GLU 60 -8.297 11.985 -18.984 452 HB2 GLU 60 2HB GLU 60 -5.504 11.827 -19.438 453 HB3 GLU 60 3HB GLU 60 -6.294 11.119 -20.840 454 HG2 GLU 60 2HG GLU 60 -7.156 13.084 -21.522 455 HG3 GLU 60 3HG GLU 60 -7.417 13.666 -19.879 456 H ASP 61 H ASP 61 -6.920 8.810 -18.695 457 HA ASP 61 HA ASP 61 -8.507 7.747 -20.889 458 HB2 ASP 61 2HB ASP 61 -6.180 6.947 -20.460 459 HB3 ASP 61 3HB ASP 61 -6.736 6.268 -18.933 460 H GLU 62 H GLU 62 -10.609 7.486 -20.492 461 HA GLU 62 HA GLU 62 -11.412 5.815 -18.259 462 HB2 GLU 62 2HB GLU 62 -11.542 8.555 -17.938 463 HB3 GLU 62 3HB GLU 62 -13.168 8.143 -18.463 464 HG2 GLU 62 2HG GLU 62 -11.952 6.494 -16.321 465 HG3 GLU 62 3HG GLU 62 -12.460 8.133 -15.917 466 H GLY 63 H GLY 63 -11.389 5.949 -21.305 467 HA2 GLY 63 2HA GLY 63 -14.115 6.069 -22.138 468 HA3 GLY 63 3HA GLY 63 -12.774 5.414 -23.065 469 H GLN 64 H GLN 64 -12.331 3.222 -22.993 470 HA GLN 64 HA GLN 64 -14.241 1.571 -21.480 471 HB2 GLN 64 2HB GLN 64 -13.712 1.650 -24.373 472 HB3 GLN 64 3HB GLN 64 -13.710 0.036 -23.676 473 HG2 GLN 64 2HG GLN 64 -15.951 1.864 -22.999 474 HG3 GLN 64 3HG GLN 64 -15.908 1.136 -24.604 475 HE21 GLN 64 2HE2 GLN 64 -17.461 -0.924 -21.668 476 HE22 GLN 64 1HE2 GLN 64 -17.307 0.794 -21.765 477 H ILE 65 H ILE 65 -13.305 0.119 -20.209 478 HA ILE 65 HA ILE 65 -10.709 -1.005 -20.965 479 HB ILE 65 HB ILE 65 -10.108 0.806 -19.488 480 HG12 ILE 65 2HG1 ILE 65 -9.920 -1.440 -17.565 481 HG13 ILE 65 3HG1 ILE 65 -9.302 -1.754 -19.183 482 HG21 ILE 65 1HG2 ILE 65 -11.686 1.506 -18.071 483 HG22 ILE 65 2HG2 ILE 65 -12.484 -0.065 -18.048 484 HG23 ILE 65 3HG2 ILE 65 -11.105 0.237 -16.993 485 HD11 ILE 65 3HD1 ILE 65 -7.839 -0.706 -17.197 486 HD12 ILE 65 1HD1 ILE 65 -7.530 -0.403 -18.907 487 HD13 ILE 65 2HD1 ILE 65 -8.436 0.772 -17.952 488 H ARG 66 H ARG 66 -10.355 -3.085 -20.268 489 HA ARG 66 HA ARG 66 -12.530 -4.337 -18.724 490 HB2 ARG 66 2HB ARG 66 -11.918 -4.830 -21.389 491 HB3 ARG 66 3HB ARG 66 -11.146 -6.155 -20.528 492 HG2 ARG 66 2HG ARG 66 -13.215 -7.041 -20.923 493 HG3 ARG 66 3HG ARG 66 -13.464 -6.327 -19.328 494 HD2 ARG 66 2HD ARG 66 -14.350 -4.288 -20.468 495 HD3 ARG 66 3HD ARG 66 -14.252 -5.165 -21.995 496 HE ARG 66 HE ARG 66 -15.730 -6.793 -20.395 497 HH11 ARG 66 1HH1 ARG 66 -15.969 -3.457 -21.359 498 HH12 ARG 66 2HH1 ARG 66 -17.698 -3.417 -21.261 499 HH21 ARG 66 2HH2 ARG 66 -18.856 -5.292 -20.637 500 HH22 ARG 66 1HH2 ARG 66 -18.006 -6.754 -20.263 501 H TYR 67 H TYR 67 -11.959 -6.021 -17.324 502 HA TYR 67 HA TYR 67 -9.179 -5.922 -16.445 503 HB2 TYR 67 2HB TYR 67 -11.543 -7.274 -15.129 504 HB3 TYR 67 3HB TYR 67 -9.965 -6.980 -14.407 505 HD1 TYR 67 HD1 TYR 67 -13.258 -5.753 -14.776 506 HD2 TYR 67 HD2 TYR 67 -9.231 -4.477 -14.265 507 HE1 TYR 67 HE1 TYR 67 -14.058 -3.587 -13.928 508 HE2 TYR 67 HE2 TYR 67 -10.020 -2.308 -13.415 509 HH TYR 67 HH TYR 67 -12.768 -1.690 -12.220 510 H PHE 68 H PHE 68 -7.808 -7.357 -17.247 511 HA PHE 68 HA PHE 68 -8.812 -9.991 -18.069 512 HB2 PHE 68 2HB PHE 68 -7.169 -8.190 -19.387 513 HB3 PHE 68 3HB PHE 68 -6.043 -9.392 -18.766 514 HD1 PHE 68 HD1 PHE 68 -9.363 -9.275 -20.468 515 HD2 PHE 68 HD2 PHE 68 -5.569 -11.172 -20.126 516 HE1 PHE 68 HE1 PHE 68 -9.949 -10.775 -22.329 517 HE2 PHE 68 HE2 PHE 68 -6.148 -12.674 -21.986 518 HZ PHE 68 HZ PHE 68 -8.340 -12.476 -23.091 519 H LEU 69 H LEU 69 -7.890 -11.883 -17.328 520 HA LEU 69 HA LEU 69 -5.559 -12.061 -15.770 521 HB2 LEU 69 2HB LEU 69 -7.928 -11.222 -14.366 522 HB3 LEU 69 3HB LEU 69 -7.377 -12.785 -13.766 523 HG LEU 69 HG LEU 69 -5.359 -10.621 -14.026 524 HD11 LEU 69 1HD1 LEU 69 -7.208 -10.726 -11.660 525 HD12 LEU 69 2HD1 LEU 69 -7.445 -9.611 -13.005 526 HD13 LEU 69 3HD1 LEU 69 -5.974 -9.523 -12.037 527 HD21 LEU 69 3HD2 LEU 69 -4.192 -12.132 -12.898 528 HD22 LEU 69 1HD2 LEU 69 -5.604 -13.186 -12.808 529 HD23 LEU 69 2HD2 LEU 69 -5.319 -11.984 -11.549 530 HA PRO 70 HA PRO 70 -7.979 -16.219 -15.425 531 HB2 PRO 70 2HB PRO 70 -10.558 -16.251 -16.273 532 HB3 PRO 70 3HB PRO 70 -10.098 -15.860 -14.612 533 HG2 PRO 70 2HG PRO 70 -10.793 -14.019 -16.868 534 HG3 PRO 70 3HG PRO 70 -11.285 -13.939 -15.166 535 HD2 PRO 70 2HD PRO 70 -9.293 -12.411 -16.178 536 HD3 PRO 70 3HD PRO 70 -9.291 -12.995 -14.502 537 H ASP 71 H ASP 71 -8.095 -14.081 -18.075 538 HA ASP 71 HA ASP 71 -7.991 -14.343 -20.338 539 HB2 ASP 71 2HB ASP 71 -6.791 -17.057 -19.904 540 HB3 ASP 71 3HB ASP 71 -6.357 -15.825 -21.086 541 H ARG 72 H ARG 72 -10.418 -15.241 -19.082 542 HA ARG 72 HA ARG 72 -11.260 -17.234 -21.078 543 HB2 ARG 72 2HB ARG 72 -12.018 -17.099 -18.159 544 HB3 ARG 72 3HB ARG 72 -12.901 -18.057 -19.340 545 HG2 ARG 72 2HG ARG 72 -10.093 -18.629 -19.504 546 HG3 ARG 72 3HG ARG 72 -10.666 -18.818 -17.846 547 HD2 ARG 72 2HD ARG 72 -12.437 -20.302 -18.611 548 HD3 ARG 72 3HD ARG 72 -11.921 -20.078 -20.282 549 HE ARG 72 HE ARG 72 -9.730 -21.015 -18.842 550 HH11 ARG 72 1HH1 ARG 72 -12.888 -22.112 -19.811 551 HH12 ARG 72 2HH1 ARG 72 -12.436 -23.784 -19.858 552 HH21 ARG 72 2HH2 ARG 72 -10.294 -24.409 -19.339 553 HH22 ARG 72 1HH2 ARG 72 -9.123 -23.213 -18.900 554 H ASP 73 H ASP 73 -11.386 -14.240 -20.893 555 HA ASP 73 HA ASP 73 -14.268 -13.782 -20.736 556 HB2 ASP 73 2HB ASP 73 -12.606 -12.212 -19.655 557 HB3 ASP 73 3HB ASP 73 -12.105 -11.744 -21.278 558 H GLU 74 H GLU 74 -13.226 -15.396 -22.875 559 HA GLU 74 HA GLU 74 -13.453 -15.678 -25.120 560 HB2 GLU 74 2HB GLU 74 -15.193 -13.212 -24.946 561 HB3 GLU 74 3HB GLU 74 -15.170 -14.376 -26.264 562 HG2 GLU 74 2HG GLU 74 -15.653 -15.928 -24.036 563 HG3 GLU 74 3HG GLU 74 -16.577 -14.458 -23.733 564 H GLY 75 H GLY 75 -11.145 -14.384 -24.334 565 HA2 GLY 75 2HA GLY 75 -10.658 -12.690 -26.687 566 HA3 GLY 75 3HA GLY 75 -10.184 -12.100 -25.101 567 H MET 76 H MET 76 -9.293 -14.590 -24.041 568 HA MET 76 HA MET 76 -6.623 -14.573 -24.721 569 HB2 MET 76 2HB MET 76 -7.559 -15.651 -22.701 570 HB3 MET 76 3HB MET 76 -8.196 -16.947 -23.705 571 HG2 MET 76 2HG MET 76 -5.726 -17.226 -24.451 572 HG3 MET 76 3HG MET 76 -5.371 -16.333 -22.974 573 HE1 MET 76 3HE MET 76 -3.973 -19.115 -22.230 574 HE2 MET 76 1HE MET 76 -4.916 -20.409 -22.970 575 HE3 MET 76 2HE MET 76 -4.421 -19.017 -23.934 576 H MET 77 H MET 77 -9.266 -16.258 -26.258 577 HA MET 77 HA MET 77 -7.814 -18.135 -27.747 578 HB2 MET 77 2HB MET 77 -9.782 -18.143 -29.266 579 HB3 MET 77 3HB MET 77 -10.212 -18.305 -27.569 580 HG2 MET 77 2HG MET 77 -10.651 -15.824 -27.568 581 HG3 MET 77 3HG MET 77 -10.493 -15.886 -29.322 582 HE1 MET 77 3HE MET 77 -14.124 -15.712 -29.781 583 HE2 MET 77 1HE MET 77 -12.557 -14.902 -29.785 584 HE3 MET 77 2HE MET 77 -12.834 -16.290 -30.837 585 H GLU 78 H GLU 78 -8.682 -14.778 -28.446 586 HA GLU 78 HA GLU 78 -7.295 -14.881 -31.002 587 HB2 GLU 78 2HB GLU 78 -9.192 -13.042 -29.683 588 HB3 GLU 78 3HB GLU 78 -7.984 -12.273 -30.704 589 HG2 GLU 78 2HG GLU 78 -8.775 -13.264 -32.624 590 HG3 GLU 78 3HG GLU 78 -9.529 -14.597 -31.751 591 H GLU 79 H GLU 79 -6.700 -13.977 -27.749 592 HA GLU 79 HA GLU 79 -4.367 -12.370 -28.502 593 HB2 GLU 79 2HB GLU 79 -5.529 -12.817 -25.749 594 HB3 GLU 79 3HB GLU 79 -4.298 -11.643 -26.195 595 HG2 GLU 79 2HG GLU 79 -6.325 -10.964 -27.874 596 HG3 GLU 79 3HG GLU 79 -7.208 -11.514 -26.451 597 H GLY 80 H GLY 80 -4.698 -15.399 -28.592 598 HA2 GLY 80 2HA GLY 80 -2.065 -15.992 -27.578 599 HA3 GLY 80 3HA GLY 80 -3.351 -16.794 -26.690 600 H LYS 81 H LYS 81 -5.092 -17.223 -28.909 601 HA LYS 81 HA LYS 81 -3.614 -19.392 -30.222 602 HB2 LYS 81 2HB LYS 81 -6.231 -19.183 -29.069 603 HB3 LYS 81 3HB LYS 81 -6.385 -19.586 -30.774 604 HG2 LYS 81 2HG LYS 81 -4.658 -21.093 -28.823 605 HG3 LYS 81 3HG LYS 81 -6.299 -21.557 -29.277 606 HD2 LYS 81 2HD LYS 81 -5.560 -22.546 -31.127 607 HD3 LYS 81 3HD LYS 81 -4.726 -21.074 -31.631 608 HE2 LYS 81 2HE LYS 81 -2.923 -21.775 -29.931 609 HE3 LYS 81 3HE LYS 81 -3.695 -23.359 -29.983 610 HZ1 LYS 81 3HZ LYS 81 -3.317 -22.469 -32.611 611 HZ2 LYS 81 1HZ LYS 81 -2.602 -23.794 -31.840 612 HZ3 LYS 81 2HZ LYS 81 -1.854 -22.278 -31.784 613 H LEU 82 H LEU 82 -3.740 -16.459 -30.987 614 HA LEU 82 HA LEU 82 -4.459 -16.917 -33.799 615 HB2 LEU 82 2HB LEU 82 -5.531 -14.926 -31.951 616 HB3 LEU 82 3HB LEU 82 -4.916 -14.234 -33.450 617 HG LEU 82 HG LEU 82 -7.342 -14.695 -33.506 618 HD11 LEU 82 1HD1 LEU 82 -6.774 -14.690 -35.668 619 HD12 LEU 82 2HD1 LEU 82 -6.956 -16.441 -35.569 620 HD13 LEU 82 3HD1 LEU 82 -5.360 -15.709 -35.400 621 HD21 LEU 82 3HD2 LEU 82 -6.930 -17.595 -33.790 622 HD22 LEU 82 1HD2 LEU 82 -8.265 -16.700 -33.063 623 HD23 LEU 82 2HD2 LEU 82 -6.778 -16.961 -32.150 624 H ASP 83 H ASP 83 -2.914 -14.506 -31.669 625 HA ASP 83 HA ASP 83 -0.737 -14.308 -33.645 626 HB2 ASP 83 2HB ASP 83 -1.295 -12.136 -31.658 627 HB3 ASP 83 3HB ASP 83 -0.528 -12.029 -33.240 628 H ALA 84 H ALA 84 1.198 -14.971 -32.999 629 HA ALA 84 HA ALA 84 1.695 -16.110 -30.502 630 HB1 ALA 84 1HB ALA 84 3.704 -16.684 -31.350 631 HB2 ALA 84 2HB ALA 84 2.986 -16.132 -32.864 632 HB3 ALA 84 3HB ALA 84 4.040 -15.058 -31.944 633 H SER 85 H SER 85 2.056 -12.826 -31.621 634 HA SER 85 HA SER 85 3.776 -11.870 -29.608 635 HB2 SER 85 2HB SER 85 1.621 -10.227 -30.937 636 HB3 SER 85 3HB SER 85 3.188 -9.686 -30.335 637 HG SER 85 HG SER 85 3.189 -9.916 -32.607 638 H CYS 86 H CYS 86 0.256 -12.126 -29.786 639 HA CYS 86 HA CYS 86 -0.279 -10.774 -27.358 640 HB2 CYS 86 2HB CYS 86 -1.930 -12.832 -28.838 641 HB3 CYS 86 3HB CYS 86 -2.518 -11.822 -27.524 642 HG CYS 86 HG CYS 86 -1.173 -10.185 -30.143 643 H ALA 87 H ALA 87 0.072 -14.210 -28.163 644 HA ALA 87 HA ALA 87 -0.502 -15.230 -25.609 645 HB1 ALA 87 1HB ALA 87 1.428 -16.869 -26.954 646 HB2 ALA 87 2HB ALA 87 -0.289 -17.164 -26.677 647 HB3 ALA 87 3HB ALA 87 0.233 -16.275 -28.108 648 H VAL 88 H VAL 88 2.499 -14.093 -27.066 649 HA VAL 88 HA VAL 88 4.201 -14.957 -24.957 650 HB VAL 88 HB VAL 88 4.606 -12.840 -27.071 651 HG11 VAL 88 1HG1 VAL 88 6.417 -13.872 -24.922 652 HG12 VAL 88 2HG1 VAL 88 7.075 -13.285 -26.451 653 HG13 VAL 88 3HG1 VAL 88 6.122 -12.209 -25.428 654 HG21 VAL 88 3HG2 VAL 88 4.451 -15.547 -27.371 655 HG22 VAL 88 1HG2 VAL 88 5.343 -14.460 -28.437 656 HG23 VAL 88 2HG2 VAL 88 6.183 -15.308 -27.138 657 H ALA 89 H ALA 89 2.581 -11.900 -25.704 658 HA ALA 89 HA ALA 89 3.734 -10.363 -23.652 659 HB1 ALA 89 1HB ALA 89 1.406 -10.116 -25.443 660 HB2 ALA 89 2HB ALA 89 1.344 -9.170 -23.956 661 HB3 ALA 89 3HB ALA 89 2.689 -8.962 -25.078 662 H ILE 90 H ILE 90 0.741 -12.270 -23.745 663 HA ILE 90 HA ILE 90 -0.095 -11.613 -21.120 664 HB ILE 90 HB ILE 90 -0.792 -14.032 -22.789 665 HG12 ILE 90 2HG1 ILE 90 -2.411 -11.518 -22.376 666 HG13 ILE 90 3HG1 ILE 90 -1.312 -11.729 -23.734 667 HG21 ILE 90 1HG2 ILE 90 -1.688 -13.075 -20.135 668 HG22 ILE 90 2HG2 ILE 90 -2.924 -13.703 -21.224 669 HG23 ILE 90 3HG2 ILE 90 -1.557 -14.717 -20.764 670 HD11 ILE 90 3HD1 ILE 90 -3.184 -12.451 -24.745 671 HD12 ILE 90 1HD1 ILE 90 -2.751 -13.974 -23.970 672 HD13 ILE 90 2HD1 ILE 90 -3.955 -12.918 -23.230 673 H GLU 91 H GLU 91 1.609 -14.438 -22.447 674 HA GLU 91 HA GLU 91 1.830 -15.895 -20.077 675 HB2 GLU 91 2HB GLU 91 3.323 -15.833 -22.655 676 HB3 GLU 91 3HB GLU 91 4.048 -16.696 -21.306 677 HG2 GLU 91 2HG GLU 91 1.285 -17.412 -21.554 678 HG3 GLU 91 3HG GLU 91 2.111 -17.624 -23.097 679 H GLU 92 H GLU 92 3.803 -13.285 -21.365 680 HA GLU 92 HA GLU 92 5.887 -13.530 -19.433 681 HB2 GLU 92 2HB GLU 92 5.889 -12.340 -21.755 682 HB3 GLU 92 3HB GLU 92 5.256 -10.967 -20.857 683 HG2 GLU 92 2HG GLU 92 7.217 -10.564 -19.814 684 HG3 GLU 92 3HG GLU 92 7.659 -12.269 -19.745 685 H ALA 93 H ALA 93 3.015 -11.480 -19.724 686 HA ALA 93 HA ALA 93 3.471 -9.856 -17.487 687 HB1 ALA 93 1HB ALA 93 1.679 -8.892 -18.369 688 HB2 ALA 93 2HB ALA 93 1.339 -10.323 -19.344 689 HB3 ALA 93 3HB ALA 93 0.694 -10.197 -17.708 690 H ILE 94 H ILE 94 1.903 -13.005 -17.795 691 HA ILE 94 HA ILE 94 1.106 -13.094 -15.034 692 HB ILE 94 HB ILE 94 0.430 -15.394 -15.483 693 HG12 ILE 94 2HG1 ILE 94 1.696 -14.964 -18.198 694 HG13 ILE 94 3HG1 ILE 94 2.290 -16.045 -16.943 695 HG21 ILE 94 1HG2 ILE 94 -1.429 -14.758 -16.573 696 HG22 ILE 94 2HG2 ILE 94 -0.703 -13.153 -16.501 697 HG23 ILE 94 3HG2 ILE 94 -0.528 -14.135 -17.955 698 HD11 ILE 94 3HD1 ILE 94 -0.237 -16.297 -18.545 699 HD12 ILE 94 1HD1 ILE 94 1.162 -17.371 -18.542 700 HD13 ILE 94 2HD1 ILE 94 0.117 -17.280 -17.125 701 H GLN 95 H GLN 95 3.824 -14.203 -16.934 702 HA GLN 95 HA GLN 95 4.894 -15.981 -14.994 703 HB2 GLN 95 2HB GLN 95 5.798 -14.784 -17.543 704 HB3 GLN 95 3HB GLN 95 7.071 -15.278 -16.434 705 HG2 GLN 95 2HG GLN 95 6.261 -17.530 -16.410 706 HG3 GLN 95 3HG GLN 95 4.840 -17.076 -17.349 707 HE21 GLN 95 2HE2 GLN 95 8.364 -17.892 -19.143 708 HE22 GLN 95 1HE2 GLN 95 8.178 -17.884 -17.426 709 H LEU 96 H LEU 96 5.150 -12.545 -15.548 710 HA LEU 96 HA LEU 96 7.284 -12.261 -13.588 711 HB2 LEU 96 2HB LEU 96 7.204 -9.883 -14.161 712 HB3 LEU 96 3HB LEU 96 7.416 -10.906 -15.581 713 HG LEU 96 HG LEU 96 4.796 -10.627 -15.748 714 HD11 LEU 96 1HD1 LEU 96 5.168 -7.883 -14.871 715 HD12 LEU 96 2HD1 LEU 96 5.282 -9.043 -13.548 716 HD13 LEU 96 3HD1 LEU 96 3.840 -9.002 -14.563 717 HD21 LEU 96 3HD2 LEU 96 7.082 -9.232 -16.828 718 HD22 LEU 96 1HD2 LEU 96 5.657 -8.194 -16.787 719 HD23 LEU 96 2HD2 LEU 96 5.594 -9.744 -17.626 720 H TYR 97 H TYR 97 3.847 -11.660 -13.933 721 HA TYR 97 HA TYR 97 3.530 -10.114 -11.578 722 HB2 TYR 97 2HB TYR 97 1.829 -10.028 -13.277 723 HB3 TYR 97 3HB TYR 97 1.567 -11.766 -13.175 724 HD1 TYR 97 HD1 TYR 97 -0.270 -12.493 -11.987 725 HD2 TYR 97 HD2 TYR 97 1.492 -8.763 -10.946 726 HE1 TYR 97 HE1 TYR 97 -2.037 -12.132 -10.315 727 HE2 TYR 97 HE2 TYR 97 -0.270 -8.392 -9.270 728 HH TYR 97 HH TYR 97 -3.007 -10.582 -8.966 729 H GLU 98 H GLU 98 3.201 -13.573 -12.267 730 HA GLU 98 HA GLU 98 2.414 -14.234 -9.592 731 HB2 GLU 98 2HB GLU 98 3.158 -15.805 -12.033 732 HB3 GLU 98 3HB GLU 98 3.055 -16.612 -10.474 733 HG2 GLU 98 2HG GLU 98 0.758 -14.915 -11.154 734 HG3 GLU 98 3HG GLU 98 0.991 -16.323 -12.188 735 H GLU 99 H GLU 99 5.389 -13.647 -11.162 736 HA GLU 99 HA GLU 99 6.988 -15.223 -9.339 737 HB2 GLU 99 2HB GLU 99 7.465 -13.601 -11.757 738 HB3 GLU 99 3HB GLU 99 8.771 -13.587 -10.580 739 HG2 GLU 99 2HG GLU 99 8.720 -16.085 -10.616 740 HG3 GLU 99 3HG GLU 99 7.578 -15.979 -11.954 741 H GLN 100 H GLN 100 5.869 -11.942 -9.637 742 HA GLN 100 HA GLN 100 7.611 -11.068 -7.452 743 HB2 GLN 100 2HB GLN 100 5.852 -9.585 -9.397 744 HB3 GLN 100 3HB GLN 100 6.554 -8.801 -7.988 745 HG2 GLN 100 2HG GLN 100 8.324 -10.298 -9.858 746 HG3 GLN 100 3HG GLN 100 7.745 -8.693 -10.303 747 HE21 GLN 100 2HE2 GLN 100 11.009 -8.757 -8.308 748 HE22 GLN 100 1HE2 GLN 100 10.431 -9.826 -9.536 749 H LEU 101 H LEU 101 4.275 -11.737 -8.216 750 HA LEU 101 HA LEU 101 2.936 -10.449 -6.176 751 HB2 LEU 101 2HB LEU 101 1.743 -11.601 -7.902 752 HB3 LEU 101 3HB LEU 101 2.430 -13.148 -7.411 753 HG LEU 101 HG LEU 101 1.166 -12.934 -5.262 754 HD11 LEU 101 1HD1 LEU 101 0.533 -10.809 -4.845 755 HD12 LEU 101 2HD1 LEU 101 -0.901 -11.294 -5.748 756 HD13 LEU 101 3HD1 LEU 101 0.386 -10.399 -6.554 757 HD21 LEU 101 3HD2 LEU 101 -0.470 -14.141 -6.188 758 HD22 LEU 101 1HD2 LEU 101 0.355 -13.851 -7.719 759 HD23 LEU 101 2HD2 LEU 101 -0.983 -12.812 -7.229 760 H LYS 102 H LYS 102 4.459 -13.659 -6.094 761 HA LYS 102 HA LYS 102 3.804 -14.201 -3.392 762 HB2 LYS 102 2HB LYS 102 5.488 -15.412 -5.483 763 HB3 LYS 102 3HB LYS 102 6.035 -15.709 -3.838 764 HG2 LYS 102 2HG LYS 102 4.646 -17.470 -4.009 765 HG3 LYS 102 3HG LYS 102 3.434 -16.274 -3.543 766 HD2 LYS 102 2HD LYS 102 2.413 -17.165 -5.385 767 HD3 LYS 102 3HD LYS 102 3.339 -15.874 -6.154 768 HE2 LYS 102 2HE LYS 102 3.982 -17.574 -7.507 769 HE3 LYS 102 3HE LYS 102 5.174 -17.814 -6.231 770 HZ1 LYS 102 3HZ LYS 102 3.580 -19.419 -5.221 771 HZ2 LYS 102 1HZ LYS 102 4.205 -19.906 -6.716 772 HZ3 LYS 102 2HZ LYS 102 2.633 -19.291 -6.617 773 H ALA 103 H ALA 103 6.384 -12.443 -4.924 774 HA ALA 103 HA ALA 103 8.239 -12.446 -2.800 775 HB1 ALA 103 1HB ALA 103 8.033 -11.276 -5.372 776 HB2 ALA 103 2HB ALA 103 8.422 -9.994 -4.224 777 HB3 ALA 103 3HB ALA 103 9.457 -11.417 -4.340 778 H GLN 104 H GLN 104 5.475 -10.395 -3.542 779 HA GLN 104 HA GLN 104 5.982 -8.842 -1.101 780 HB2 GLN 104 2HB GLN 104 4.356 -7.230 -2.005 781 HB3 GLN 104 3HB GLN 104 5.697 -7.500 -3.110 782 HG2 GLN 104 2HG GLN 104 4.336 -8.930 -4.488 783 HG3 GLN 104 3HG GLN 104 3.001 -8.815 -3.342 784 HE21 GLN 104 2HE2 GLN 104 3.138 -6.271 -6.309 785 HE22 GLN 104 1HE2 GLN 104 3.877 -7.831 -6.244 786 H ALA 105 H ALA 105 4.759 -11.606 -1.406 787 HA ALA 105 HA ALA 105 2.224 -11.036 -0.012 788 HB1 ALA 105 1HB ALA 105 2.891 -13.492 -1.630 789 HB2 ALA 105 2HB ALA 105 1.351 -13.128 -0.850 790 HB3 ALA 105 3HB ALA 105 1.912 -12.138 -2.197 791 H GLY 106 H GLY 106 5.023 -11.356 1.024 792 HA2 GLY 106 2HA GLY 106 5.502 -12.077 3.249 793 HA3 GLY 106 3HA GLY 106 4.364 -13.398 3.032 794 H GLY 107 H GLY 107 5.628 -13.837 0.285 795 HA2 GLY 107 2HA GLY 107 7.817 -14.608 -0.441 796 HA3 GLY 107 3HA GLY 107 8.122 -15.111 1.215 797 H THR 108 H THR 108 5.211 -15.651 -0.722 798 HA THR 108 HA THR 108 4.190 -17.553 -1.450 799 HB THR 108 HB THR 108 6.687 -19.162 -1.071 800 HG1 THR 108 HG1 THR 108 7.746 -18.017 -2.505 801 HG21 THR 108 3HG2 THR 108 4.218 -19.586 -2.293 802 HG22 THR 108 1HG2 THR 108 5.661 -20.585 -2.452 803 HG23 THR 108 2HG2 THR 108 5.339 -19.309 -3.626 804 H ASN 109 H ASN 109 3.378 -17.137 0.905 805 HA ASN 109 HA ASN 109 2.669 -17.969 2.904 806 HB2 ASN 109 2HB ASN 109 2.932 -20.416 1.183 807 HB3 ASN 109 3HB ASN 109 2.439 -20.566 2.867 808 HD21 ASN 109 2HD2 ASN 109 -0.021 -18.307 0.507 809 HD22 ASN 109 1HD2 ASN 109 1.693 -18.094 0.449 810 H GLU 110 H GLU 110 5.420 -17.360 2.802 811 HA GLU 110 HA GLU 110 7.309 -17.594 4.047 812 HB2 GLU 110 2HB GLU 110 5.422 -17.999 5.815 813 HB3 GLU 110 3HB GLU 110 5.972 -19.667 5.748 814 HG2 GLU 110 2HG GLU 110 8.165 -19.046 6.462 815 HG3 GLU 110 3HG GLU 110 7.772 -17.332 6.337 Start of MODEL 13 1 H1 MET 1 H MET 1 0.091 2.366 0.457 2 HA MET 1 HA MET 1 0.151 3.912 -1.821 3 HB2 MET 1 2HB MET 1 1.855 2.256 -2.667 4 HB3 MET 1 3HB MET 1 2.168 2.903 -1.062 5 HG2 MET 1 2HG MET 1 2.074 0.893 -0.120 6 HG3 MET 1 3HG MET 1 0.602 0.463 -0.987 7 HE1 MET 1 3HE MET 1 2.605 -2.591 -1.756 8 HE2 MET 1 1HE MET 1 1.423 -1.780 -0.728 9 HE3 MET 1 2HE MET 1 1.057 -2.075 -2.428 10 H ILE 2 H ILE 2 -0.985 3.903 -3.638 11 HA ILE 2 HA ILE 2 -2.048 1.347 -4.635 12 HB ILE 2 HB ILE 2 -3.550 3.968 -4.616 13 HG12 ILE 2 2HG1 ILE 2 -3.455 2.895 -2.400 14 HG13 ILE 2 3HG1 ILE 2 -5.083 2.855 -3.068 15 HG21 ILE 2 1HG2 ILE 2 -4.840 3.130 -6.215 16 HG22 ILE 2 2HG2 ILE 2 -3.773 1.731 -6.321 17 HG23 ILE 2 3HG2 ILE 2 -5.163 1.699 -5.237 18 HD11 ILE 2 3HD1 ILE 2 -3.874 0.481 -3.901 19 HD12 ILE 2 1HD1 ILE 2 -3.408 0.693 -2.214 20 HD13 ILE 2 2HD1 ILE 2 -5.114 0.683 -2.663 21 HA PRO 3 HA PRO 3 0.365 3.580 -7.914 22 HB2 PRO 3 2HB PRO 3 1.724 1.379 -8.738 23 HB3 PRO 3 3HB PRO 3 2.274 2.407 -7.409 24 HG2 PRO 3 2HG PRO 3 0.803 -0.199 -7.305 25 HG3 PRO 3 3HG PRO 3 2.169 0.355 -6.319 26 HD2 PRO 3 2HD PRO 3 -0.388 0.409 -5.429 27 HD3 PRO 3 3HD PRO 3 0.821 1.611 -4.933 28 H SER 4 H SER 4 -1.725 3.754 -8.958 29 HA SER 4 HA SER 4 -3.130 3.403 -10.713 30 HB2 SER 4 2HB SER 4 -0.650 2.426 -11.570 31 HB3 SER 4 3HB SER 4 -1.806 1.163 -11.991 32 HG SER 4 HG SER 4 -2.443 3.831 -12.565 33 H PHE 5 H PHE 5 -3.384 1.905 -8.220 34 HA PHE 5 HA PHE 5 -4.608 0.219 -7.304 35 HB2 PHE 5 2HB PHE 5 -6.075 1.265 -9.443 36 HB3 PHE 5 3HB PHE 5 -6.195 -0.482 -9.626 37 HD1 PHE 5 HD1 PHE 5 -7.457 2.376 -7.960 38 HD2 PHE 5 HD2 PHE 5 -6.891 -1.821 -7.539 39 HE1 PHE 5 HE1 PHE 5 -9.194 2.320 -6.218 40 HE2 PHE 5 HE2 PHE 5 -8.628 -1.885 -5.798 41 HZ PHE 5 HZ PHE 5 -9.783 0.187 -5.136 42 H ALA 6 H ALA 6 -3.253 -1.458 -6.955 43 HA ALA 6 HA ALA 6 -2.331 -3.528 -7.178 44 HB1 ALA 6 1HB ALA 6 -4.651 -4.121 -7.856 45 HB2 ALA 6 2HB ALA 6 -4.174 -3.876 -9.536 46 HB3 ALA 6 3HB ALA 6 -3.409 -5.144 -8.578 47 HA PRO 7 HA PRO 7 0.588 -1.979 -10.347 48 HB2 PRO 7 2HB PRO 7 2.803 -2.640 -8.923 49 HB3 PRO 7 3HB PRO 7 1.913 -1.134 -8.671 50 HG2 PRO 7 2HG PRO 7 1.796 -3.687 -7.112 51 HG3 PRO 7 3HG PRO 7 1.835 -2.016 -6.520 52 HD2 PRO 7 2HD PRO 7 -0.454 -3.455 -6.668 53 HD3 PRO 7 3HD PRO 7 -0.416 -1.696 -6.900 54 H GLY 8 H GLY 8 0.445 -3.451 -11.972 55 HA2 GLY 8 2HA GLY 8 1.847 -5.182 -13.016 56 HA3 GLY 8 3HA GLY 8 1.739 -6.066 -11.501 57 H THR 9 H THR 9 -1.097 -4.460 -12.607 58 HA THR 9 HA THR 9 -2.365 -7.048 -13.061 59 HB THR 9 HB THR 9 -3.770 -4.385 -13.096 60 HG1 THR 9 HG1 THR 9 -3.321 -6.006 -10.796 61 HG21 THR 9 3HG2 THR 9 -5.715 -5.598 -12.690 62 HG22 THR 9 1HG2 THR 9 -4.834 -6.996 -12.075 63 HG23 THR 9 2HG2 THR 9 -4.831 -6.641 -13.803 64 H LEU 10 H LEU 10 -3.021 -7.771 -14.997 65 HA LEU 10 HA LEU 10 -2.399 -6.144 -17.337 66 HB2 LEU 10 2HB LEU 10 -1.728 -8.617 -16.956 67 HB3 LEU 10 3HB LEU 10 -3.391 -8.967 -17.426 68 HG LEU 10 HG LEU 10 -1.449 -7.447 -19.159 69 HD11 LEU 10 1HD1 LEU 10 -2.130 -10.112 -20.048 70 HD12 LEU 10 2HD1 LEU 10 -1.291 -10.135 -18.497 71 HD13 LEU 10 3HD1 LEU 10 -0.550 -9.344 -19.888 72 HD21 LEU 10 3HD2 LEU 10 -4.237 -8.464 -19.466 73 HD22 LEU 10 1HD2 LEU 10 -3.181 -8.389 -20.877 74 HD23 LEU 10 2HD2 LEU 10 -3.538 -6.922 -19.964 75 H VAL 11 H VAL 11 -3.903 -5.118 -18.473 76 HA VAL 11 HA VAL 11 -6.683 -6.072 -18.344 77 HB VAL 11 HB VAL 11 -7.462 -3.716 -18.325 78 HG11 VAL 11 1HG1 VAL 11 -7.529 -3.649 -16.060 79 HG12 VAL 11 2HG1 VAL 11 -6.861 -5.273 -16.236 80 HG13 VAL 11 3HG1 VAL 11 -5.794 -3.912 -15.890 81 HG21 VAL 11 3HG2 VAL 11 -5.605 -2.526 -19.188 82 HG22 VAL 11 1HG2 VAL 11 -5.786 -2.008 -17.512 83 HG23 VAL 11 2HG2 VAL 11 -4.527 -3.164 -17.947 84 H TRP 12 H TRP 12 -7.970 -4.522 -20.022 85 HA TRP 12 HA TRP 12 -6.437 -4.657 -22.536 86 HB2 TRP 12 2HB TRP 12 -9.187 -5.544 -21.840 87 HB3 TRP 12 3HB TRP 12 -8.957 -4.830 -23.434 88 HD1 TRP 12 HD1 TRP 12 -6.054 -6.078 -24.023 89 HE1 TRP 12 HE1 TRP 12 -5.872 -8.587 -24.567 90 HE3 TRP 12 HE3 TRP 12 -10.460 -7.673 -21.979 91 HZ2 TRP 12 HZ2 TRP 12 -7.396 -10.932 -24.182 92 HZ3 TRP 12 HZ3 TRP 12 -11.024 -10.065 -22.110 93 HH2 TRP 12 HH2 TRP 12 -9.522 -11.659 -23.190 94 H LEU 13 H LEU 13 -6.359 -2.883 -23.787 95 HA LEU 13 HA LEU 13 -8.025 -0.586 -22.991 96 HB2 LEU 13 2HB LEU 13 -5.322 -0.722 -22.859 97 HB3 LEU 13 3HB LEU 13 -5.541 -0.060 -24.478 98 HG LEU 13 HG LEU 13 -7.200 1.492 -22.886 99 HD11 LEU 13 1HD1 LEU 13 -6.128 0.502 -20.895 100 HD12 LEU 13 2HD1 LEU 13 -5.840 2.236 -21.040 101 HD13 LEU 13 3HD1 LEU 13 -4.568 1.092 -21.472 102 HD21 LEU 13 3HD2 LEU 13 -5.919 2.349 -24.716 103 HD22 LEU 13 1HD2 LEU 13 -4.403 1.953 -23.908 104 HD23 LEU 13 2HD2 LEU 13 -5.441 3.222 -23.259 105 H LYS 14 H LYS 14 -9.525 -0.125 -24.445 106 HA LYS 14 HA LYS 14 -9.010 -0.755 -27.271 107 HB2 LYS 14 2HB LYS 14 -11.053 -1.673 -25.921 108 HB3 LYS 14 3HB LYS 14 -11.720 -0.068 -26.187 109 HG2 LYS 14 2HG LYS 14 -10.647 -1.323 -28.600 110 HG3 LYS 14 3HG LYS 14 -12.000 -2.191 -27.869 111 HD2 LYS 14 2HD LYS 14 -12.469 0.667 -27.930 112 HD3 LYS 14 3HD LYS 14 -12.148 0.025 -29.543 113 HE2 LYS 14 2HE LYS 14 -13.960 -1.454 -29.437 114 HE3 LYS 14 3HE LYS 14 -14.089 -1.310 -27.684 115 HZ1 LYS 14 3HZ LYS 14 -15.367 0.221 -29.687 116 HZ2 LYS 14 1HZ LYS 14 -14.437 1.237 -28.705 117 HZ3 LYS 14 2HZ LYS 14 -15.615 0.240 -28.014 118 H GLN 15 H GLN 15 -8.597 0.871 -28.603 119 HA GLN 15 HA GLN 15 -8.830 3.595 -27.741 120 HB2 GLN 15 2HB GLN 15 -7.431 2.161 -29.777 121 HB3 GLN 15 3HB GLN 15 -8.330 3.468 -30.536 122 HG2 GLN 15 2HG GLN 15 -6.884 4.235 -28.108 123 HG3 GLN 15 3HG GLN 15 -5.861 3.705 -29.442 124 HE21 GLN 15 2HE2 GLN 15 -6.011 7.157 -30.200 125 HE22 GLN 15 1HE2 GLN 15 -5.130 5.955 -29.326 126 H ASP 16 H ASP 16 -9.623 5.092 -29.781 127 HA ASP 16 HA ASP 16 -12.442 4.926 -29.688 128 HB2 ASP 16 2HB ASP 16 -10.439 6.736 -30.787 129 HB3 ASP 16 3HB ASP 16 -11.856 6.599 -31.824 130 H ARG 17 H ARG 17 -10.297 4.700 -32.534 131 HA ARG 17 HA ARG 17 -12.388 3.174 -33.908 132 HB2 ARG 17 2HB ARG 17 -10.363 5.086 -34.739 133 HB3 ARG 17 3HB ARG 17 -10.313 3.621 -35.710 134 HG2 ARG 17 2HG ARG 17 -12.983 4.785 -35.242 135 HG3 ARG 17 3HG ARG 17 -11.885 5.710 -36.269 136 HD2 ARG 17 2HD ARG 17 -13.176 4.259 -37.668 137 HD3 ARG 17 3HD ARG 17 -11.521 3.653 -37.621 138 HE ARG 17 HE ARG 17 -12.296 1.739 -36.644 139 HH11 ARG 17 1HH1 ARG 17 -14.716 4.222 -36.335 140 HH12 ARG 17 2HH1 ARG 17 -15.915 3.155 -35.683 141 HH21 ARG 17 2HH2 ARG 17 -15.430 0.938 -35.372 142 HH22 ARG 17 1HH2 ARG 17 -13.866 0.324 -35.788 143 H PHE 18 H PHE 18 -9.181 2.911 -32.609 144 HA PHE 18 HA PHE 18 -8.526 0.464 -33.960 145 HB2 PHE 18 2HB PHE 18 -7.264 2.150 -31.849 146 HB3 PHE 18 3HB PHE 18 -6.758 0.468 -31.972 147 HD1 PHE 18 HD1 PHE 18 -6.684 -0.093 -34.771 148 HD2 PHE 18 HD2 PHE 18 -5.634 3.496 -32.739 149 HE1 PHE 18 HE1 PHE 18 -5.161 0.498 -36.610 150 HE2 PHE 18 HE2 PHE 18 -4.110 4.094 -34.576 151 HZ PHE 18 HZ PHE 18 -3.873 2.595 -36.515 152 HA PRO 19 HA PRO 19 -10.409 -2.490 -31.317 153 HB2 PRO 19 2HB PRO 19 -8.567 -4.484 -31.328 154 HB3 PRO 19 3HB PRO 19 -9.584 -4.108 -32.724 155 HG2 PRO 19 2HG PRO 19 -6.747 -3.320 -32.180 156 HG3 PRO 19 3HG PRO 19 -7.478 -3.899 -33.688 157 HD2 PRO 19 2HD PRO 19 -6.987 -1.278 -33.219 158 HD3 PRO 19 3HD PRO 19 -8.357 -1.831 -34.203 159 H TRP 20 H TRP 20 -9.476 -4.239 -29.540 160 HA TRP 20 HA TRP 20 -8.250 -2.532 -27.487 161 HB2 TRP 20 2HB TRP 20 -9.243 -4.111 -25.860 162 HB3 TRP 20 3HB TRP 20 -10.457 -3.373 -26.902 163 HD1 TRP 20 HD1 TRP 20 -8.943 -6.722 -25.986 164 HE1 TRP 20 HE1 TRP 20 -10.271 -8.596 -27.148 165 HE3 TRP 20 HE3 TRP 20 -11.839 -3.865 -29.082 166 HZ2 TRP 20 HZ2 TRP 20 -12.279 -8.832 -29.117 167 HZ3 TRP 20 HZ3 TRP 20 -13.438 -4.993 -30.574 168 HH2 TRP 20 HH2 TRP 20 -13.651 -7.425 -30.590 169 H TRP 21 H TRP 21 -6.231 -2.921 -26.882 170 HA TRP 21 HA TRP 21 -5.099 -5.589 -27.418 171 HB2 TRP 21 2HB TRP 21 -3.687 -2.913 -27.362 172 HB3 TRP 21 3HB TRP 21 -2.905 -4.471 -27.617 173 HD1 TRP 21 HD1 TRP 21 -4.240 -1.653 -29.512 174 HE1 TRP 21 HE1 TRP 21 -4.614 -2.283 -31.980 175 HE3 TRP 21 HE3 TRP 21 -3.880 -6.738 -29.117 176 HZ2 TRP 21 HZ2 TRP 21 -4.741 -4.625 -33.551 177 HZ3 TRP 21 HZ3 TRP 21 -4.140 -8.100 -31.149 178 HH2 TRP 21 HH2 TRP 21 -4.562 -7.064 -33.319 179 HA PRO 22 HA PRO 22 -4.270 -6.083 -23.134 180 HB2 PRO 22 2HB PRO 22 -2.021 -7.600 -23.225 181 HB3 PRO 22 3HB PRO 22 -3.621 -8.229 -23.637 182 HG2 PRO 22 2HG PRO 22 -1.434 -7.282 -25.449 183 HG3 PRO 22 3HG PRO 22 -2.479 -8.706 -25.606 184 HD2 PRO 22 2HD PRO 22 -2.916 -6.419 -26.988 185 HD3 PRO 22 3HD PRO 22 -4.236 -7.479 -26.454 186 H GLY 23 H GLY 23 -3.102 -5.181 -21.476 187 HA2 GLY 23 2HA GLY 23 -0.478 -4.058 -21.929 188 HA3 GLY 23 3HA GLY 23 -1.744 -2.855 -21.733 189 H PHE 24 H PHE 24 0.663 -3.885 -20.087 190 HA PHE 24 HA PHE 24 -0.605 -4.752 -17.636 191 HB2 PHE 24 2HB PHE 24 1.980 -4.946 -18.730 192 HB3 PHE 24 3HB PHE 24 2.141 -3.936 -17.297 193 HD1 PHE 24 HD1 PHE 24 2.718 -5.048 -15.387 194 HD2 PHE 24 HD2 PHE 24 0.290 -7.034 -18.264 195 HE1 PHE 24 HE1 PHE 24 2.684 -7.057 -13.966 196 HE2 PHE 24 HE2 PHE 24 0.251 -9.045 -16.848 197 HZ PHE 24 HZ PHE 24 1.448 -9.059 -14.696 198 H VAL 25 H VAL 25 -1.383 -3.443 -16.129 199 HA VAL 25 HA VAL 25 -1.085 -0.595 -16.350 200 HB VAL 25 HB VAL 25 -2.439 -2.251 -14.216 201 HG11 VAL 25 1HG1 VAL 25 -3.561 0.310 -14.341 202 HG12 VAL 25 2HG1 VAL 25 -2.580 -0.369 -13.042 203 HG13 VAL 25 3HG1 VAL 25 -1.815 0.553 -14.337 204 HG21 VAL 25 3HG2 VAL 25 -4.470 -1.148 -15.490 205 HG22 VAL 25 1HG2 VAL 25 -3.317 -1.126 -16.825 206 HG23 VAL 25 2HG2 VAL 25 -3.743 -2.653 -16.053 207 H MET 26 H MET 26 0.610 0.481 -15.602 208 HA MET 26 HA MET 26 1.741 -0.284 -13.007 209 HB2 MET 26 2HB MET 26 3.428 0.417 -15.414 210 HB3 MET 26 3HB MET 26 4.011 -0.027 -13.815 211 HG2 MET 26 2HG MET 26 2.469 -2.174 -14.444 212 HG3 MET 26 3HG MET 26 3.093 -1.708 -16.025 213 HE1 MET 26 3HE MET 26 4.536 -3.179 -16.819 214 HE2 MET 26 1HE MET 26 5.901 -2.073 -16.665 215 HE3 MET 26 2HE MET 26 6.061 -3.749 -16.140 216 H ASP 27 H ASP 27 2.416 1.403 -11.743 217 HA ASP 27 HA ASP 27 1.631 4.061 -12.661 218 HB2 ASP 27 2HB ASP 27 1.469 2.695 -10.189 219 HB3 ASP 27 3HB ASP 27 2.586 4.036 -9.952 220 HA PRO 28 HA PRO 28 5.729 5.515 -13.282 221 HB2 PRO 28 2HB PRO 28 5.401 8.146 -12.700 222 HB3 PRO 28 3HB PRO 28 4.777 7.404 -14.178 223 HG2 PRO 28 2HG PRO 28 3.343 8.048 -11.631 224 HG3 PRO 28 3HG PRO 28 2.810 8.286 -13.306 225 HD2 PRO 28 2HD PRO 28 1.973 6.202 -11.792 226 HD3 PRO 28 3HD PRO 28 2.183 6.082 -13.551 227 H ASP 29 H ASP 29 4.141 6.564 -10.284 228 HA ASP 29 HA ASP 29 6.194 5.665 -8.604 229 HB2 ASP 29 2HB ASP 29 7.113 7.849 -9.855 230 HB3 ASP 29 3HB ASP 29 6.254 8.636 -8.535 231 H GLU 30 H GLU 30 3.555 5.305 -8.444 232 HA GLU 30 HA GLU 30 1.751 5.443 -7.065 233 HB2 GLU 30 2HB GLU 30 3.942 6.507 -5.306 234 HB3 GLU 30 3HB GLU 30 2.282 6.435 -4.731 235 HG2 GLU 30 2HG GLU 30 2.441 3.947 -5.539 236 HG3 GLU 30 3HG GLU 30 4.172 4.225 -5.355 237 H VAL 31 H VAL 31 0.521 6.854 -8.295 238 HA VAL 31 HA VAL 31 0.811 9.722 -7.884 239 HB VAL 31 HB VAL 31 -0.850 9.994 -9.619 240 HG11 VAL 31 1HG1 VAL 31 1.136 7.847 -10.358 241 HG12 VAL 31 2HG1 VAL 31 0.306 8.921 -11.485 242 HG13 VAL 31 3HG1 VAL 31 1.453 9.581 -10.319 243 HG21 VAL 31 3HG2 VAL 31 -1.154 6.997 -9.472 244 HG22 VAL 31 1HG2 VAL 31 -2.368 8.210 -9.065 245 HG23 VAL 31 2HG2 VAL 31 -1.844 8.014 -10.737 246 H ARG 32 H ARG 32 -0.376 7.541 -5.967 247 HA ARG 32 HA ARG 32 -3.051 8.557 -5.534 248 HB2 ARG 32 2HB ARG 32 -2.839 6.245 -5.122 249 HB3 ARG 32 3HB ARG 32 -1.363 6.461 -4.191 250 HG2 ARG 32 2HG ARG 32 -2.644 7.534 -2.407 251 HG3 ARG 32 3HG ARG 32 -4.124 7.309 -3.342 252 HD2 ARG 32 2HD ARG 32 -4.194 5.062 -2.949 253 HD3 ARG 32 3HD ARG 32 -2.442 4.921 -2.820 254 HE ARG 32 HE ARG 32 -4.287 5.375 -0.691 255 HH11 ARG 32 1HH1 ARG 32 -1.038 5.998 -1.775 256 HH12 ARG 32 2HH1 ARG 32 -0.400 6.182 -0.174 257 HH21 ARG 32 2HH2 ARG 32 -1.778 5.962 1.643 258 HH22 ARG 32 1HH2 ARG 32 -3.459 5.614 1.421 259 H ASP 33 H ASP 33 0.126 8.811 -4.045 260 HA ASP 33 HA ASP 33 -0.972 10.717 -2.091 261 HB2 ASP 33 2HB ASP 33 0.139 9.041 -0.880 262 HB3 ASP 33 3HB ASP 33 1.450 8.937 -2.051 263 H ILE 34 H ILE 34 1.332 10.293 -4.673 264 HA ILE 34 HA ILE 34 2.237 13.071 -4.344 265 HB ILE 34 HB ILE 34 3.458 10.896 -6.047 266 HG12 ILE 34 2HG1 ILE 34 5.301 11.460 -4.132 267 HG13 ILE 34 3HG1 ILE 34 3.812 11.675 -3.219 268 HG21 ILE 34 1HG2 ILE 34 3.788 13.721 -6.034 269 HG22 ILE 34 2HG2 ILE 34 5.272 12.980 -5.436 270 HG23 ILE 34 3HG2 ILE 34 4.627 12.515 -7.010 271 HD11 ILE 34 3HD1 ILE 34 3.118 9.427 -3.766 272 HD12 ILE 34 1HD1 ILE 34 4.551 9.205 -4.768 273 HD13 ILE 34 2HD1 ILE 34 4.718 9.411 -3.024 274 H THR 35 H THR 35 1.049 14.453 -5.483 275 HA THR 35 HA THR 35 0.224 13.676 -8.206 276 HB THR 35 HB THR 35 -1.545 15.502 -7.904 277 HG1 THR 35 HG1 THR 35 -1.997 16.123 -5.825 278 HG21 THR 35 3HG2 THR 35 -2.598 13.500 -7.916 279 HG22 THR 35 1HG2 THR 35 -2.798 13.825 -6.195 280 HG23 THR 35 2HG2 THR 35 -1.485 12.787 -6.749 281 H LEU 36 H LEU 36 1.719 14.541 -9.526 282 HA LEU 36 HA LEU 36 2.395 17.384 -9.152 283 HB2 LEU 36 2HB LEU 36 3.997 15.104 -10.275 284 HB3 LEU 36 3HB LEU 36 4.425 16.787 -10.571 285 HG LEU 36 HG LEU 36 4.155 15.697 -7.785 286 HD11 LEU 36 1HD1 LEU 36 5.759 14.267 -8.865 287 HD12 LEU 36 2HD1 LEU 36 6.611 15.397 -7.814 288 HD13 LEU 36 3HD1 LEU 36 6.592 15.658 -9.557 289 HD21 LEU 36 3HD2 LEU 36 5.440 18.101 -9.050 290 HD22 LEU 36 1HD2 LEU 36 5.857 17.556 -7.425 291 HD23 LEU 36 2HD2 LEU 36 4.203 18.045 -7.792 292 HA PRO 37 HA PRO 37 0.596 18.330 -13.044 293 HB2 PRO 37 2HB PRO 37 2.203 20.352 -13.881 294 HB3 PRO 37 3HB PRO 37 1.031 20.536 -12.571 295 HG2 PRO 37 2HG PRO 37 3.982 20.059 -12.419 296 HG3 PRO 37 3HG PRO 37 2.977 21.166 -11.465 297 HD2 PRO 37 2HD PRO 37 3.798 18.764 -10.522 298 HD3 PRO 37 3HD PRO 37 2.246 19.491 -10.060 299 H GLU 38 H GLU 38 0.700 17.401 -14.990 300 HA GLU 38 HA GLU 38 2.961 17.390 -16.660 301 HB2 GLU 38 2HB GLU 38 2.973 15.340 -14.688 302 HB3 GLU 38 3HB GLU 38 2.658 14.582 -16.243 303 HG2 GLU 38 2HG GLU 38 4.660 15.763 -17.141 304 HG3 GLU 38 3HG GLU 38 5.006 16.306 -15.501 305 H GLY 39 H GLY 39 0.466 14.936 -15.949 306 HA2 GLY 39 2HA GLY 39 -1.628 15.184 -17.337 307 HA3 GLY 39 3HA GLY 39 -0.530 15.331 -18.702 308 H SER 40 H SER 40 0.819 13.184 -16.583 309 HA SER 40 HA SER 40 -0.598 10.866 -17.693 310 HB2 SER 40 2HB SER 40 1.776 9.816 -17.915 311 HB3 SER 40 3HB SER 40 1.206 10.909 -19.176 312 HG SER 40 HG SER 40 2.488 12.506 -18.379 313 H ASP 41 H ASP 41 -1.411 9.974 -15.903 314 HA ASP 41 HA ASP 41 0.321 9.725 -13.539 315 HB2 ASP 41 2HB ASP 41 -2.523 10.257 -13.907 316 HB3 ASP 41 3HB ASP 41 -2.225 8.949 -12.766 317 H VAL 42 H VAL 42 -1.517 7.947 -15.903 318 HA VAL 42 HA VAL 42 -0.810 5.420 -14.570 319 HB VAL 42 HB VAL 42 -2.851 5.875 -16.751 320 HG11 VAL 42 1HG1 VAL 42 -1.903 3.459 -15.273 321 HG12 VAL 42 2HG1 VAL 42 -3.575 3.545 -15.832 322 HG13 VAL 42 3HG1 VAL 42 -2.249 3.661 -16.990 323 HG21 VAL 42 3HG2 VAL 42 -3.044 5.839 -13.777 324 HG22 VAL 42 1HG2 VAL 42 -3.877 6.860 -14.950 325 HG23 VAL 42 2HG2 VAL 42 -4.377 5.183 -14.727 326 H TRP 43 H TRP 43 0.428 3.917 -15.582 327 HA TRP 43 HA TRP 43 1.435 4.613 -18.264 328 HB2 TRP 43 2HB TRP 43 2.925 4.522 -15.968 329 HB3 TRP 43 3HB TRP 43 3.156 2.897 -16.607 330 HD1 TRP 43 HD1 TRP 43 3.074 3.921 -19.743 331 HE1 TRP 43 HE1 TRP 43 5.201 5.035 -20.670 332 HE3 TRP 43 HE3 TRP 43 5.284 5.249 -15.328 333 HZ2 TRP 43 HZ2 TRP 43 7.510 6.309 -19.663 334 HZ3 TRP 43 HZ3 TRP 43 7.451 6.412 -15.397 335 HH2 TRP 43 HH2 TRP 43 8.540 6.929 -17.521 336 H VAL 44 H VAL 44 0.360 3.293 -19.611 337 HA VAL 44 HA VAL 44 -0.055 0.495 -18.866 338 HB VAL 44 HB VAL 44 -1.100 2.040 -21.243 339 HG11 VAL 44 1HG1 VAL 44 -1.045 -0.196 -21.924 340 HG12 VAL 44 2HG1 VAL 44 -1.496 -0.789 -20.324 341 HG13 VAL 44 3HG1 VAL 44 -2.689 0.034 -21.330 342 HG21 VAL 44 3HG2 VAL 44 -2.316 2.942 -19.531 343 HG22 VAL 44 1HG2 VAL 44 -3.292 1.511 -19.863 344 HG23 VAL 44 2HG2 VAL 44 -2.155 1.510 -18.514 345 H CYS 45 H CYS 45 1.424 -0.945 -19.439 346 HA CYS 45 HA CYS 45 3.174 -0.382 -21.716 347 HB2 CYS 45 2HB CYS 45 4.204 -0.970 -19.535 348 HB3 CYS 45 3HB CYS 45 3.408 -2.537 -19.607 349 HG CYS 45 HG CYS 45 6.235 -2.584 -20.251 350 H CYS 46 H CYS 46 2.056 -0.966 -23.519 351 HA CYS 46 HA CYS 46 0.502 -3.367 -23.661 352 HB2 CYS 46 2HB CYS 46 1.434 -1.437 -25.793 353 HB3 CYS 46 3HB CYS 46 0.365 -2.800 -26.104 354 HG CYS 46 HG CYS 46 -0.343 -0.120 -24.096 355 H LEU 47 H LEU 47 0.938 -4.857 -25.644 356 HA LEU 47 HA LEU 47 3.361 -6.229 -25.128 357 HB2 LEU 47 2HB LEU 47 2.512 -7.886 -26.411 358 HB3 LEU 47 3HB LEU 47 1.021 -6.991 -26.125 359 HG LEU 47 HG LEU 47 2.729 -6.840 -28.608 360 HD11 LEU 47 1HD1 LEU 47 1.483 -8.956 -28.331 361 HD12 LEU 47 2HD1 LEU 47 0.923 -7.998 -29.702 362 HD13 LEU 47 3HD1 LEU 47 -0.012 -8.028 -28.207 363 HD21 LEU 47 3HD2 LEU 47 1.753 -4.852 -28.880 364 HD22 LEU 47 1HD2 LEU 47 0.629 -5.127 -27.549 365 HD23 LEU 47 2HD2 LEU 47 0.260 -5.751 -29.156 366 HA PRO 48 HA PRO 48 6.226 -4.453 -27.937 367 HB2 PRO 48 2HB PRO 48 7.598 -6.631 -28.797 368 HB3 PRO 48 3HB PRO 48 7.767 -5.972 -27.166 369 HG2 PRO 48 2HG PRO 48 6.138 -8.300 -28.110 370 HG3 PRO 48 3HG PRO 48 7.148 -8.156 -26.659 371 HD2 PRO 48 2HD PRO 48 4.454 -7.894 -26.590 372 HD3 PRO 48 3HD PRO 48 5.528 -7.004 -25.493 373 H ARG 49 H ARG 49 5.328 -3.592 -29.734 374 HA ARG 49 HA ARG 49 5.300 -5.173 -32.140 375 HB2 ARG 49 2HB ARG 49 2.995 -4.884 -32.714 376 HB3 ARG 49 3HB ARG 49 3.055 -5.604 -31.110 377 HG2 ARG 49 2HG ARG 49 1.509 -4.021 -30.682 378 HG3 ARG 49 3HG ARG 49 2.943 -3.028 -30.413 379 HD2 ARG 49 2HD ARG 49 2.783 -2.049 -32.560 380 HD3 ARG 49 3HD ARG 49 1.601 -3.243 -33.095 381 HE ARG 49 HE ARG 49 1.086 -0.846 -31.605 382 HH11 ARG 49 1HH1 ARG 49 -0.052 -4.056 -32.324 383 HH12 ARG 49 2HH1 ARG 49 -1.705 -3.695 -31.949 384 HH21 ARG 49 2HH2 ARG 49 -2.292 -1.592 -31.258 385 HH22 ARG 49 1HH2 ARG 49 -1.086 -0.359 -31.108 386 H ASP 50 H ASP 50 4.718 -2.130 -30.499 387 HA ASP 50 HA ASP 50 5.327 -0.697 -32.999 388 HB2 ASP 50 2HB ASP 50 3.214 -0.331 -31.234 389 HB3 ASP 50 3HB ASP 50 4.338 0.959 -30.815 390 H SER 51 H SER 51 7.036 -1.908 -30.695 391 HA SER 51 HA SER 51 9.099 -1.450 -29.840 392 HB2 SER 51 2HB SER 51 9.225 -0.103 -32.091 393 HB3 SER 51 3HB SER 51 9.094 1.301 -31.032 394 HG SER 51 HG SER 51 11.073 -0.731 -30.951 395 H LEU 52 H LEU 52 7.471 -1.333 -27.952 396 HA LEU 52 HA LEU 52 7.005 -0.471 -25.900 397 HB2 LEU 52 2HB LEU 52 9.432 0.890 -26.739 398 HB3 LEU 52 3HB LEU 52 8.457 1.867 -25.644 399 HG LEU 52 HG LEU 52 8.527 0.060 -23.985 400 HD11 LEU 52 1HD1 LEU 52 9.370 -1.481 -26.203 401 HD12 LEU 52 2HD1 LEU 52 9.060 -2.013 -24.551 402 HD13 LEU 52 3HD1 LEU 52 10.677 -1.484 -25.018 403 HD21 LEU 52 3HD2 LEU 52 10.193 1.786 -23.829 404 HD22 LEU 52 1HD2 LEU 52 11.202 0.978 -25.030 405 HD23 LEU 52 2HD2 LEU 52 10.944 0.235 -23.451 406 H THR 53 H THR 53 4.901 0.013 -26.838 407 HA THR 53 HA THR 53 4.425 2.813 -27.523 408 HB THR 53 HB THR 53 2.109 0.996 -27.408 409 HG1 THR 53 HG1 THR 53 3.218 -0.563 -28.360 410 HG21 THR 53 3HG2 THR 53 2.885 2.328 -29.913 411 HG22 THR 53 1HG2 THR 53 2.645 3.408 -28.541 412 HG23 THR 53 2HG2 THR 53 1.344 2.334 -29.056 413 H LEU 54 H LEU 54 5.171 2.430 -24.874 414 HA LEU 54 HA LEU 54 3.171 2.036 -23.007 415 HB2 LEU 54 2HB LEU 54 5.335 4.118 -22.794 416 HB3 LEU 54 3HB LEU 54 4.502 3.304 -21.472 417 HG LEU 54 HG LEU 54 5.888 1.459 -23.256 418 HD11 LEU 54 1HD1 LEU 54 7.472 3.551 -21.775 419 HD12 LEU 54 2HD1 LEU 54 7.465 3.254 -23.513 420 HD13 LEU 54 3HD1 LEU 54 8.141 2.050 -22.416 421 HD21 LEU 54 3HD2 LEU 54 4.885 1.037 -20.967 422 HD22 LEU 54 1HD2 LEU 54 6.262 1.921 -20.309 423 HD23 LEU 54 2HD2 LEU 54 6.524 0.438 -21.228 424 H SER 55 H SER 55 1.315 3.031 -22.621 425 HA SER 55 HA SER 55 0.865 5.690 -23.761 426 HB2 SER 55 2HB SER 55 -0.738 3.352 -23.509 427 HB3 SER 55 3HB SER 55 -1.496 4.623 -22.550 428 HG SER 55 HG SER 55 -2.152 4.610 -24.774 429 H ALA 56 H ALA 56 0.932 7.434 -22.522 430 HA ALA 56 HA ALA 56 0.576 7.109 -19.613 431 HB1 ALA 56 1HB ALA 56 2.787 8.065 -20.912 432 HB2 ALA 56 2HB ALA 56 1.930 9.546 -20.480 433 HB3 ALA 56 3HB ALA 56 2.371 8.385 -19.228 434 H ALA 57 H ALA 57 -1.131 8.072 -18.740 435 HA ALA 57 HA ALA 57 -2.104 10.606 -19.738 436 HB1 ALA 57 1HB ALA 57 -4.181 8.475 -19.601 437 HB2 ALA 57 2HB ALA 57 -4.160 9.975 -20.531 438 HB3 ALA 57 3HB ALA 57 -3.180 8.603 -21.048 439 H ASN 58 H ASN 58 -3.175 11.770 -18.198 440 HA ASN 58 HA ASN 58 -3.543 10.449 -15.590 441 HB2 ASN 58 2HB ASN 58 -1.732 12.156 -15.653 442 HB3 ASN 58 3HB ASN 58 -2.929 13.366 -16.104 443 HD21 ASN 58 2HD2 ASN 58 -2.520 13.769 -12.534 444 HD22 ASN 58 1HD2 ASN 58 -1.648 14.058 -13.997 445 H SER 59 H SER 59 -5.654 10.018 -15.397 446 HA SER 59 HA SER 59 -7.916 10.275 -15.345 447 HB2 SER 59 2HB SER 59 -6.794 12.424 -13.997 448 HB3 SER 59 3HB SER 59 -7.953 13.183 -15.088 449 HG SER 59 HG SER 59 -9.580 11.994 -14.182 450 H GLU 60 H GLU 60 -6.590 10.476 -17.925 451 HA GLU 60 HA GLU 60 -8.538 12.170 -19.347 452 HB2 GLU 60 2HB GLU 60 -5.678 11.497 -20.003 453 HB3 GLU 60 3HB GLU 60 -6.794 12.079 -21.230 454 HG2 GLU 60 2HG GLU 60 -7.211 14.053 -19.674 455 HG3 GLU 60 3HG GLU 60 -5.780 13.510 -18.800 456 H ASP 61 H ASP 61 -7.064 9.039 -19.055 457 HA ASP 61 HA ASP 61 -8.387 8.021 -21.438 458 HB2 ASP 61 2HB ASP 61 -6.089 7.281 -20.868 459 HB3 ASP 61 3HB ASP 61 -6.712 6.555 -19.388 460 H GLU 62 H GLU 62 -10.503 7.656 -21.254 461 HA GLU 62 HA GLU 62 -11.430 5.873 -19.152 462 HB2 GLU 62 2HB GLU 62 -11.752 8.581 -18.795 463 HB3 GLU 62 3HB GLU 62 -13.276 8.116 -19.536 464 HG2 GLU 62 2HG GLU 62 -13.415 6.299 -17.778 465 HG3 GLU 62 3HG GLU 62 -12.080 7.121 -16.971 466 H GLY 63 H GLY 63 -11.073 5.975 -22.149 467 HA2 GLY 63 2HA GLY 63 -13.659 6.018 -23.334 468 HA3 GLY 63 3HA GLY 63 -12.204 5.337 -24.048 469 H GLN 64 H GLN 64 -11.745 3.150 -23.784 470 HA GLN 64 HA GLN 64 -13.839 1.545 -22.484 471 HB2 GLN 64 2HB GLN 64 -12.787 1.357 -25.275 472 HB3 GLN 64 3HB GLN 64 -13.271 -0.119 -24.450 473 HG2 GLN 64 2HG GLN 64 -15.195 2.108 -24.338 474 HG3 GLN 64 3HG GLN 64 -14.929 1.389 -25.925 475 HE21 GLN 64 2HE2 GLN 64 -16.532 -1.627 -25.197 476 HE22 GLN 64 1HE2 GLN 64 -15.466 -0.779 -26.259 477 H ILE 65 H ILE 65 -13.062 0.136 -21.064 478 HA ILE 65 HA ILE 65 -10.435 -1.063 -21.481 479 HB ILE 65 HB ILE 65 -9.905 0.873 -20.128 480 HG12 ILE 65 2HG1 ILE 65 -9.860 -1.196 -18.015 481 HG13 ILE 65 3HG1 ILE 65 -9.176 -1.677 -19.564 482 HG21 ILE 65 1HG2 ILE 65 -12.144 1.254 -19.202 483 HG22 ILE 65 2HG2 ILE 65 -11.946 -0.156 -18.163 484 HG23 ILE 65 3HG2 ILE 65 -10.906 1.251 -17.946 485 HD11 ILE 65 3HD1 ILE 65 -7.746 0.376 -19.456 486 HD12 ILE 65 1HD1 ILE 65 -8.317 0.598 -17.803 487 HD13 ILE 65 2HD1 ILE 65 -7.405 -0.849 -18.235 488 H ARG 66 H ARG 66 -10.198 -3.077 -20.567 489 HA ARG 66 HA ARG 66 -12.453 -4.105 -18.986 490 HB2 ARG 66 2HB ARG 66 -11.292 -5.204 -21.515 491 HB3 ARG 66 3HB ARG 66 -11.940 -6.314 -20.315 492 HG2 ARG 66 2HG ARG 66 -13.630 -4.016 -21.131 493 HG3 ARG 66 3HG ARG 66 -13.419 -5.344 -22.275 494 HD2 ARG 66 2HD ARG 66 -13.985 -6.827 -20.197 495 HD3 ARG 66 3HD ARG 66 -14.704 -5.340 -19.580 496 HE ARG 66 HE ARG 66 -15.639 -5.773 -22.184 497 HH11 ARG 66 1HH1 ARG 66 -15.890 -7.157 -19.000 498 HH12 ARG 66 2HH1 ARG 66 -17.476 -7.801 -19.263 499 HH21 ARG 66 2HH2 ARG 66 -18.520 -7.494 -21.279 500 HH22 ARG 66 1HH2 ARG 66 -17.728 -6.617 -22.543 501 H TYR 67 H TYR 67 -11.957 -5.730 -17.500 502 HA TYR 67 HA TYR 67 -9.190 -5.743 -16.640 503 HB2 TYR 67 2HB TYR 67 -11.653 -6.992 -15.405 504 HB3 TYR 67 3HB TYR 67 -10.059 -6.945 -14.659 505 HD1 TYR 67 HD1 TYR 67 -9.032 -4.613 -14.249 506 HD2 TYR 67 HD2 TYR 67 -13.162 -5.252 -15.047 507 HE1 TYR 67 HE1 TYR 67 -9.556 -2.425 -13.256 508 HE2 TYR 67 HE2 TYR 67 -13.697 -3.065 -14.057 509 HH TYR 67 HH TYR 67 -12.643 -1.496 -12.380 510 H PHE 68 H PHE 68 -7.774 -7.302 -17.051 511 HA PHE 68 HA PHE 68 -8.788 -9.871 -18.076 512 HB2 PHE 68 2HB PHE 68 -7.476 -8.491 -19.696 513 HB3 PHE 68 3HB PHE 68 -6.089 -8.620 -18.619 514 HD1 PHE 68 HD1 PHE 68 -4.689 -10.496 -18.673 515 HD2 PHE 68 HD2 PHE 68 -8.431 -10.590 -20.700 516 HE1 PHE 68 HE1 PHE 68 -4.048 -12.613 -19.752 517 HE2 PHE 68 HE2 PHE 68 -7.796 -12.708 -21.780 518 HZ PHE 68 HZ PHE 68 -5.603 -13.722 -21.306 519 H LEU 69 H LEU 69 -7.962 -11.775 -17.279 520 HA LEU 69 HA LEU 69 -5.694 -12.073 -15.683 521 HB2 LEU 69 2HB LEU 69 -7.992 -11.004 -14.304 522 HB3 LEU 69 3HB LEU 69 -7.529 -12.568 -13.637 523 HG LEU 69 HG LEU 69 -5.401 -10.524 -14.018 524 HD11 LEU 69 1HD1 LEU 69 -6.000 -9.172 -12.297 525 HD12 LEU 69 2HD1 LEU 69 -6.912 -10.434 -11.472 526 HD13 LEU 69 3HD1 LEU 69 -7.612 -9.607 -12.863 527 HD21 LEU 69 3HD2 LEU 69 -4.274 -11.758 -12.494 528 HD22 LEU 69 1HD2 LEU 69 -5.375 -13.020 -13.049 529 HD23 LEU 69 2HD2 LEU 69 -5.724 -12.137 -11.562 530 HA PRO 70 HA PRO 70 -8.461 -15.995 -15.173 531 HB2 PRO 70 2HB PRO 70 -11.025 -15.845 -16.050 532 HB3 PRO 70 3HB PRO 70 -10.548 -15.423 -14.401 533 HG2 PRO 70 2HG PRO 70 -11.065 -13.629 -16.742 534 HG3 PRO 70 3HG PRO 70 -11.563 -13.434 -15.051 535 HD2 PRO 70 2HD PRO 70 -9.439 -12.126 -16.104 536 HD3 PRO 70 3HD PRO 70 -9.500 -12.634 -14.404 537 H ASP 71 H ASP 71 -8.371 -13.973 -17.913 538 HA ASP 71 HA ASP 71 -8.262 -14.341 -20.160 539 HB2 ASP 71 2HB ASP 71 -7.348 -17.144 -19.685 540 HB3 ASP 71 3HB ASP 71 -6.716 -15.931 -20.796 541 H ARG 72 H ARG 72 -10.789 -14.863 -19.005 542 HA ARG 72 HA ARG 72 -11.816 -16.793 -20.956 543 HB2 ARG 72 2HB ARG 72 -11.605 -17.505 -18.343 544 HB3 ARG 72 3HB ARG 72 -13.211 -16.790 -18.356 545 HG2 ARG 72 2HG ARG 72 -13.876 -18.840 -18.946 546 HG3 ARG 72 3HG ARG 72 -13.325 -18.373 -20.556 547 HD2 ARG 72 2HD ARG 72 -11.083 -19.315 -19.968 548 HD3 ARG 72 3HD ARG 72 -11.796 -19.929 -18.477 549 HE ARG 72 HE ARG 72 -12.812 -21.595 -19.682 550 HH11 ARG 72 1HH1 ARG 72 -11.626 -19.151 -21.860 551 HH12 ARG 72 2HH1 ARG 72 -11.939 -20.084 -23.286 552 HH21 ARG 72 2HH2 ARG 72 -12.851 -22.178 -23.109 553 HH22 ARG 72 1HH2 ARG 72 -13.229 -22.833 -21.552 554 H ASP 73 H ASP 73 -11.730 -13.841 -20.737 555 HA ASP 73 HA ASP 73 -14.547 -13.157 -20.368 556 HB2 ASP 73 2HB ASP 73 -12.661 -11.743 -19.418 557 HB3 ASP 73 3HB ASP 73 -12.296 -11.275 -21.076 558 H GLU 74 H GLU 74 -13.771 -14.825 -22.588 559 HA GLU 74 HA GLU 74 -14.164 -15.064 -24.816 560 HB2 GLU 74 2HB GLU 74 -15.764 -12.528 -24.428 561 HB3 GLU 74 3HB GLU 74 -15.858 -13.586 -25.829 562 HG2 GLU 74 2HG GLU 74 -16.567 -15.421 -24.280 563 HG3 GLU 74 3HG GLU 74 -16.677 -14.208 -23.006 564 H GLY 75 H GLY 75 -11.746 -13.852 -24.138 565 HA2 GLY 75 2HA GLY 75 -11.305 -12.236 -26.550 566 HA3 GLY 75 3HA GLY 75 -10.764 -11.601 -25.003 567 H MET 76 H MET 76 -9.904 -14.087 -23.890 568 HA MET 76 HA MET 76 -7.256 -14.154 -24.634 569 HB2 MET 76 2HB MET 76 -7.920 -15.164 -22.576 570 HB3 MET 76 3HB MET 76 -8.982 -16.298 -23.401 571 HG2 MET 76 2HG MET 76 -6.132 -16.396 -24.148 572 HG3 MET 76 3HG MET 76 -6.539 -16.928 -22.518 573 HE1 MET 76 3HE MET 76 -7.158 -18.760 -21.843 574 HE2 MET 76 1HE MET 76 -8.504 -19.696 -22.496 575 HE3 MET 76 2HE MET 76 -6.844 -20.214 -22.792 576 H MET 77 H MET 77 -9.973 -15.812 -26.072 577 HA MET 77 HA MET 77 -8.599 -17.748 -27.558 578 HB2 MET 77 2HB MET 77 -10.601 -17.763 -29.017 579 HB3 MET 77 3HB MET 77 -11.004 -17.839 -27.307 580 HG2 MET 77 2HG MET 77 -11.434 -15.390 -27.368 581 HG3 MET 77 3HG MET 77 -11.194 -15.443 -29.113 582 HE1 MET 77 3HE MET 77 -13.253 -14.147 -28.983 583 HE2 MET 77 1HE MET 77 -13.961 -15.105 -30.284 584 HE3 MET 77 2HE MET 77 -14.889 -14.788 -28.818 585 H GLU 78 H GLU 78 -9.412 -14.387 -28.306 586 HA GLU 78 HA GLU 78 -8.084 -14.572 -30.890 587 HB2 GLU 78 2HB GLU 78 -9.369 -12.172 -29.578 588 HB3 GLU 78 3HB GLU 78 -8.873 -12.307 -31.259 589 HG2 GLU 78 2HG GLU 78 -10.530 -14.376 -31.184 590 HG3 GLU 78 3HG GLU 78 -11.241 -13.426 -29.880 591 H GLU 79 H GLU 79 -7.390 -13.635 -27.672 592 HA GLU 79 HA GLU 79 -5.057 -12.067 -28.502 593 HB2 GLU 79 2HB GLU 79 -6.884 -11.758 -26.411 594 HB3 GLU 79 3HB GLU 79 -5.412 -12.325 -25.636 595 HG2 GLU 79 2HG GLU 79 -4.801 -10.189 -25.625 596 HG3 GLU 79 3HG GLU 79 -4.461 -10.415 -27.339 597 H GLY 80 H GLY 80 -5.432 -15.093 -28.562 598 HA2 GLY 80 2HA GLY 80 -2.778 -15.715 -27.624 599 HA3 GLY 80 3HA GLY 80 -4.047 -16.495 -26.692 600 H LYS 81 H LYS 81 -5.861 -16.917 -28.852 601 HA LYS 81 HA LYS 81 -4.461 -19.125 -30.180 602 HB2 LYS 81 2HB LYS 81 -6.926 -18.978 -28.872 603 HB3 LYS 81 3HB LYS 81 -7.332 -19.067 -30.580 604 HG2 LYS 81 2HG LYS 81 -6.827 -21.226 -30.675 605 HG3 LYS 81 3HG LYS 81 -5.272 -20.970 -29.880 606 HD2 LYS 81 2HD LYS 81 -7.770 -20.879 -28.251 607 HD3 LYS 81 3HD LYS 81 -7.130 -22.445 -28.755 608 HE2 LYS 81 2HE LYS 81 -4.883 -21.536 -27.831 609 HE3 LYS 81 3HE LYS 81 -5.899 -20.378 -26.974 610 HZ1 LYS 81 3HZ LYS 81 -6.959 -22.086 -25.798 611 HZ2 LYS 81 1HZ LYS 81 -5.318 -22.498 -25.760 612 HZ3 LYS 81 2HZ LYS 81 -6.366 -23.296 -26.821 613 H LEU 82 H LEU 82 -4.568 -16.175 -30.957 614 HA LEU 82 HA LEU 82 -5.376 -16.634 -33.749 615 HB2 LEU 82 2HB LEU 82 -6.357 -14.669 -31.892 616 HB3 LEU 82 3HB LEU 82 -5.570 -13.880 -33.258 617 HG LEU 82 HG LEU 82 -7.836 -15.865 -33.451 618 HD11 LEU 82 1HD1 LEU 82 -7.751 -12.970 -33.079 619 HD12 LEU 82 2HD1 LEU 82 -9.080 -14.107 -32.853 620 HD13 LEU 82 3HD1 LEU 82 -8.717 -13.483 -34.462 621 HD21 LEU 82 3HD2 LEU 82 -5.928 -15.189 -35.349 622 HD22 LEU 82 1HD2 LEU 82 -7.322 -14.187 -35.752 623 HD23 LEU 82 2HD2 LEU 82 -7.496 -15.940 -35.649 624 H ASP 83 H ASP 83 -3.555 -14.360 -31.688 625 HA ASP 83 HA ASP 83 -1.468 -14.307 -33.769 626 HB2 ASP 83 2HB ASP 83 -1.776 -12.111 -31.753 627 HB3 ASP 83 3HB ASP 83 -1.067 -12.052 -33.365 628 H ALA 84 H ALA 84 0.446 -15.104 -33.217 629 HA ALA 84 HA ALA 84 0.974 -16.302 -30.755 630 HB1 ALA 84 1HB ALA 84 3.472 -15.850 -31.745 631 HB2 ALA 84 2HB ALA 84 2.425 -17.191 -32.214 632 HB3 ALA 84 3HB ALA 84 2.481 -15.729 -33.199 633 H SER 85 H SER 85 1.416 -13.025 -31.816 634 HA SER 85 HA SER 85 3.306 -12.220 -29.867 635 HB2 SER 85 2HB SER 85 1.242 -10.421 -31.138 636 HB3 SER 85 3HB SER 85 2.851 -9.989 -30.558 637 HG SER 85 HG SER 85 3.375 -10.293 -32.576 638 H CYS 86 H CYS 86 -0.222 -12.256 -29.943 639 HA CYS 86 HA CYS 86 -0.557 -10.902 -27.460 640 HB2 CYS 86 2HB CYS 86 -2.476 -12.710 -28.945 641 HB3 CYS 86 3HB CYS 86 -2.901 -11.633 -27.620 642 HG CYS 86 HG CYS 86 -2.262 -9.296 -29.050 643 H ALA 87 H ALA 87 -0.464 -14.299 -28.425 644 HA ALA 87 HA ALA 87 -1.162 -15.386 -25.915 645 HB1 ALA 87 1HB ALA 87 -0.610 -16.381 -28.454 646 HB2 ALA 87 2HB ALA 87 0.620 -17.096 -27.411 647 HB3 ALA 87 3HB ALA 87 -1.090 -17.307 -27.032 648 H VAL 88 H VAL 88 1.956 -14.586 -27.386 649 HA VAL 88 HA VAL 88 3.530 -15.639 -25.258 650 HB VAL 88 HB VAL 88 4.222 -13.629 -27.403 651 HG11 VAL 88 1HG1 VAL 88 5.823 -13.207 -25.780 652 HG12 VAL 88 2HG1 VAL 88 5.868 -14.887 -25.242 653 HG13 VAL 88 3HG1 VAL 88 6.603 -14.432 -26.780 654 HG21 VAL 88 3HG2 VAL 88 3.711 -16.328 -27.622 655 HG22 VAL 88 1HG2 VAL 88 4.636 -15.352 -28.763 656 HG23 VAL 88 2HG2 VAL 88 5.469 -16.257 -27.500 657 H ALA 89 H ALA 89 2.305 -12.420 -26.057 658 HA ALA 89 HA ALA 89 3.665 -10.991 -24.057 659 HB1 ALA 89 1HB ALA 89 2.643 -9.804 -25.858 660 HB2 ALA 89 2HB ALA 89 1.049 -10.435 -25.443 661 HB3 ALA 89 3HB ALA 89 1.855 -9.296 -24.364 662 H ILE 90 H ILE 90 0.469 -12.534 -24.060 663 HA ILE 90 HA ILE 90 -0.218 -11.731 -21.425 664 HB ILE 90 HB ILE 90 -1.277 -13.997 -23.115 665 HG12 ILE 90 2HG1 ILE 90 -2.514 -11.312 -22.482 666 HG13 ILE 90 3HG1 ILE 90 -1.596 -11.642 -23.948 667 HG21 ILE 90 1HG2 ILE 90 -1.994 -13.043 -20.387 668 HG22 ILE 90 2HG2 ILE 90 -3.274 -13.621 -21.453 669 HG23 ILE 90 3HG2 ILE 90 -1.932 -14.684 -21.028 670 HD11 ILE 90 3HD1 ILE 90 -3.394 -13.657 -24.013 671 HD12 ILE 90 1HD1 ILE 90 -4.333 -12.392 -23.220 672 HD13 ILE 90 2HD1 ILE 90 -3.613 -12.095 -24.803 673 H GLU 91 H GLU 91 1.047 -14.775 -22.761 674 HA GLU 91 HA GLU 91 1.120 -16.244 -20.397 675 HB2 GLU 91 2HB GLU 91 1.530 -17.083 -22.751 676 HB3 GLU 91 3HB GLU 91 3.163 -16.446 -22.609 677 HG2 GLU 91 2HG GLU 91 3.829 -18.271 -21.562 678 HG3 GLU 91 3HG GLU 91 2.587 -18.061 -20.328 679 H GLU 92 H GLU 92 3.411 -13.917 -21.710 680 HA GLU 92 HA GLU 92 5.442 -14.425 -19.766 681 HB2 GLU 92 2HB GLU 92 4.981 -12.134 -21.676 682 HB3 GLU 92 3HB GLU 92 6.374 -12.230 -20.608 683 HG2 GLU 92 2HG GLU 92 5.938 -14.638 -22.200 684 HG3 GLU 92 3HG GLU 92 6.261 -13.192 -23.154 685 H ALA 93 H ALA 93 2.918 -11.964 -20.137 686 HA ALA 93 HA ALA 93 3.567 -10.339 -17.977 687 HB1 ALA 93 1HB ALA 93 0.739 -10.479 -18.151 688 HB2 ALA 93 2HB ALA 93 1.820 -9.232 -18.774 689 HB3 ALA 93 3HB ALA 93 1.395 -10.615 -19.783 690 H ILE 94 H ILE 94 1.463 -13.202 -18.073 691 HA ILE 94 HA ILE 94 0.886 -13.104 -15.270 692 HB ILE 94 HB ILE 94 -0.185 -15.266 -15.582 693 HG12 ILE 94 2HG1 ILE 94 1.017 -15.167 -18.356 694 HG13 ILE 94 3HG1 ILE 94 1.436 -16.303 -17.079 695 HG21 ILE 94 1HG2 ILE 94 -0.938 -13.778 -18.050 696 HG22 ILE 94 2HG2 ILE 94 -1.964 -14.499 -16.811 697 HG23 ILE 94 3HG2 ILE 94 -1.118 -12.986 -16.485 698 HD11 ILE 94 3HD1 ILE 94 -0.991 -16.189 -18.796 699 HD12 ILE 94 1HD1 ILE 94 0.036 -17.561 -18.381 700 HD13 ILE 94 2HD1 ILE 94 -1.094 -16.914 -17.192 701 H GLN 95 H GLN 95 3.236 -14.737 -17.293 702 HA GLN 95 HA GLN 95 4.140 -16.629 -15.413 703 HB2 GLN 95 2HB GLN 95 4.722 -16.913 -17.716 704 HB3 GLN 95 3HB GLN 95 5.499 -15.337 -17.777 705 HG2 GLN 95 2HG GLN 95 7.352 -16.061 -16.583 706 HG3 GLN 95 3HG GLN 95 6.505 -17.463 -15.932 707 HE21 GLN 95 2HE2 GLN 95 8.635 -17.755 -19.292 708 HE22 GLN 95 1HE2 GLN 95 8.627 -16.364 -18.268 709 H LEU 96 H LEU 96 4.856 -13.247 -15.886 710 HA LEU 96 HA LEU 96 7.075 -13.312 -14.007 711 HB2 LEU 96 2HB LEU 96 5.796 -11.051 -15.536 712 HB3 LEU 96 3HB LEU 96 7.181 -10.869 -14.460 713 HG LEU 96 HG LEU 96 7.384 -12.801 -16.718 714 HD11 LEU 96 1HD1 LEU 96 6.403 -10.470 -17.428 715 HD12 LEU 96 2HD1 LEU 96 7.685 -11.239 -18.362 716 HD13 LEU 96 3HD1 LEU 96 8.076 -9.951 -17.224 717 HD21 LEU 96 3HD2 LEU 96 9.649 -12.471 -16.492 718 HD22 LEU 96 1HD2 LEU 96 9.105 -12.248 -14.829 719 HD23 LEU 96 2HD2 LEU 96 9.458 -10.844 -15.838 720 H TYR 97 H TYR 97 3.777 -12.062 -14.213 721 HA TYR 97 HA TYR 97 3.725 -10.639 -11.807 722 HB2 TYR 97 2HB TYR 97 1.978 -10.703 -13.691 723 HB3 TYR 97 3HB TYR 97 1.349 -12.141 -12.893 724 HD1 TYR 97 HD1 TYR 97 2.655 -8.945 -11.473 725 HD2 TYR 97 HD2 TYR 97 -0.680 -11.545 -11.942 726 HE1 TYR 97 HE1 TYR 97 1.341 -7.522 -9.958 727 HE2 TYR 97 HE2 TYR 97 -2.004 -10.128 -10.429 728 HH TYR 97 HH TYR 97 -1.675 -7.329 -9.770 729 H GLU 98 H GLU 98 3.048 -14.044 -12.491 730 HA GLU 98 HA GLU 98 2.493 -14.591 -9.695 731 HB2 GLU 98 2HB GLU 98 1.702 -15.760 -12.092 732 HB3 GLU 98 3HB GLU 98 2.820 -16.926 -11.398 733 HG2 GLU 98 2HG GLU 98 0.642 -17.503 -10.670 734 HG3 GLU 98 3HG GLU 98 1.498 -16.825 -9.286 735 H GLU 99 H GLU 99 5.232 -13.963 -11.206 736 HA GLU 99 HA GLU 99 6.763 -16.096 -9.872 737 HB2 GLU 99 2HB GLU 99 7.225 -16.105 -12.217 738 HB3 GLU 99 3HB GLU 99 7.437 -14.360 -12.245 739 HG2 GLU 99 2HG GLU 99 9.536 -14.456 -11.354 740 HG3 GLU 99 3HG GLU 99 9.229 -15.972 -10.510 741 H GLN 100 H GLN 100 6.161 -12.702 -10.032 742 HA GLN 100 HA GLN 100 8.406 -12.167 -8.212 743 HB2 GLN 100 2HB GLN 100 7.139 -10.653 -10.359 744 HB3 GLN 100 3HB GLN 100 7.297 -9.718 -8.878 745 HG2 GLN 100 2HG GLN 100 9.747 -11.055 -9.278 746 HG3 GLN 100 3HG GLN 100 9.276 -10.349 -10.823 747 HE21 GLN 100 2HE2 GLN 100 9.965 -7.085 -9.900 748 HE22 GLN 100 1HE2 GLN 100 9.410 -8.193 -11.104 749 H LEU 101 H LEU 101 4.938 -12.079 -8.529 750 HA LEU 101 HA LEU 101 4.532 -10.628 -6.066 751 HB2 LEU 101 2HB LEU 101 2.981 -10.461 -7.986 752 HB3 LEU 101 3HB LEU 101 2.552 -12.154 -7.751 753 HG LEU 101 HG LEU 101 1.600 -11.608 -5.562 754 HD11 LEU 101 1HD1 LEU 101 2.807 -8.977 -6.164 755 HD12 LEU 101 2HD1 LEU 101 2.596 -9.806 -4.622 756 HD13 LEU 101 3HD1 LEU 101 1.233 -8.972 -5.368 757 HD21 LEU 101 3HD2 LEU 101 -0.076 -9.771 -6.675 758 HD22 LEU 101 1HD2 LEU 101 -0.185 -11.515 -6.914 759 HD23 LEU 101 2HD2 LEU 101 0.645 -10.512 -8.105 760 H LYS 102 H LYS 102 4.827 -13.923 -7.069 761 HA LYS 102 HA LYS 102 3.746 -14.929 -4.550 762 HB2 LYS 102 2HB LYS 102 3.045 -16.185 -6.447 763 HB3 LYS 102 3HB LYS 102 4.684 -16.280 -7.077 764 HG2 LYS 102 2HG LYS 102 4.195 -17.460 -4.408 765 HG3 LYS 102 3HG LYS 102 3.511 -18.296 -5.804 766 HD2 LYS 102 2HD LYS 102 6.282 -17.441 -6.182 767 HD3 LYS 102 3HD LYS 102 6.068 -18.595 -4.864 768 HE2 LYS 102 2HE LYS 102 5.087 -18.960 -7.694 769 HE3 LYS 102 3HE LYS 102 6.532 -19.704 -7.009 770 HZ1 LYS 102 3HZ LYS 102 4.373 -20.258 -5.318 771 HZ2 LYS 102 1HZ LYS 102 5.280 -21.343 -6.248 772 HZ3 LYS 102 2HZ LYS 102 3.893 -20.625 -6.898 773 H ALA 103 H ALA 103 6.766 -14.320 -6.130 774 HA ALA 103 HA ALA 103 8.342 -16.000 -4.412 775 HB1 ALA 103 1HB ALA 103 9.140 -13.800 -6.313 776 HB2 ALA 103 2HB ALA 103 10.266 -14.863 -5.468 777 HB3 ALA 103 3HB ALA 103 9.133 -15.533 -6.641 778 H GLN 104 H GLN 104 7.158 -12.741 -4.337 779 HA GLN 104 HA GLN 104 8.832 -12.164 -1.988 780 HB2 GLN 104 2HB GLN 104 7.239 -10.146 -3.560 781 HB3 GLN 104 3HB GLN 104 8.546 -9.846 -2.422 782 HG2 GLN 104 2HG GLN 104 10.151 -10.791 -3.952 783 HG3 GLN 104 3HG GLN 104 8.865 -11.237 -5.071 784 HE21 GLN 104 2HE2 GLN 104 8.250 -7.827 -6.047 785 HE22 GLN 104 1HE2 GLN 104 7.396 -9.255 -5.583 786 H ALA 105 H ALA 105 6.230 -13.713 -2.230 787 HA ALA 105 HA ALA 105 4.662 -12.117 -0.311 788 HB1 ALA 105 1HB ALA 105 3.151 -12.358 -1.998 789 HB2 ALA 105 2HB ALA 105 3.843 -13.884 -2.551 790 HB3 ALA 105 3HB ALA 105 2.826 -13.848 -1.111 791 H GLY 106 H GLY 106 6.938 -14.024 0.133 792 HA2 GLY 106 2HA GLY 106 6.358 -15.111 2.522 793 HA3 GLY 106 3HA GLY 106 5.700 -16.310 1.418 794 H GLY 107 H GLY 107 7.676 -16.065 -0.618 795 HA2 GLY 107 2HA GLY 107 9.979 -16.444 -0.998 796 HA3 GLY 107 3HA GLY 107 10.193 -16.724 0.723 797 H THR 108 H THR 108 7.769 -18.207 -1.369 798 HA THR 108 HA THR 108 7.395 -20.367 -1.990 799 HB THR 108 HB THR 108 10.203 -21.156 -1.311 800 HG1 THR 108 HG1 THR 108 10.998 -19.784 -2.705 801 HG21 THR 108 3HG2 THR 108 9.833 -22.255 -3.636 802 HG22 THR 108 1HG2 THR 108 8.129 -21.915 -3.337 803 HG23 THR 108 2HG2 THR 108 9.032 -22.944 -2.224 804 H ASN 109 H ASN 109 6.298 -20.048 0.263 805 HA ASN 109 HA ASN 109 5.649 -20.951 2.248 806 HB2 ASN 109 2HB ASN 109 6.959 -23.321 0.923 807 HB3 ASN 109 3HB ASN 109 6.174 -23.448 2.494 808 HD21 ASN 109 2HD2 ASN 109 3.968 -24.016 -0.633 809 HD22 ASN 109 1HD2 ASN 109 5.656 -24.329 -0.439 810 H GLU 110 H GLU 110 8.114 -19.503 2.238 811 HA GLU 110 HA GLU 110 9.088 -20.190 4.799 812 HB2 GLU 110 2HB GLU 110 10.220 -21.771 2.883 813 HB3 GLU 110 3HB GLU 110 11.364 -20.437 2.949 814 HG2 GLU 110 2HG GLU 110 10.452 -21.991 5.357 815 HG3 GLU 110 3HG GLU 110 11.912 -22.353 4.437 Start of MODEL 14 1 H1 MET 1 H MET 1 3.257 1.840 -0.447 2 HA MET 1 HA MET 1 4.256 0.137 -1.578 3 HB2 MET 1 2HB MET 1 4.317 -2.060 -0.415 4 HB3 MET 1 3HB MET 1 4.739 -0.708 0.628 5 HG2 MET 1 2HG MET 1 2.837 -0.896 1.880 6 HG3 MET 1 3HG MET 1 1.916 -1.631 0.570 7 HE1 MET 1 3HE MET 1 1.084 -4.296 1.418 8 HE2 MET 1 1HE MET 1 1.816 -3.781 -0.102 9 HE3 MET 1 2HE MET 1 2.404 -5.230 0.713 10 H ILE 2 H ILE 2 1.913 0.843 -2.725 11 HA ILE 2 HA ILE 2 1.165 -1.564 -4.087 12 HB ILE 2 HB ILE 2 -0.306 -1.732 -2.123 13 HG12 ILE 2 2HG1 ILE 2 -1.647 -1.096 -4.756 14 HG13 ILE 2 3HG1 ILE 2 -1.124 -2.675 -4.179 15 HG21 ILE 2 1HG2 ILE 2 -1.948 0.577 -2.951 16 HG22 ILE 2 2HG2 ILE 2 -1.624 -0.070 -1.343 17 HG23 ILE 2 3HG2 ILE 2 -0.425 0.947 -2.141 18 HD11 ILE 2 3HD1 ILE 2 -3.597 -1.238 -3.702 19 HD12 ILE 2 1HD1 ILE 2 -3.227 -2.953 -3.525 20 HD13 ILE 2 2HD1 ILE 2 -2.853 -1.831 -2.217 21 HA PRO 3 HA PRO 3 0.911 2.477 -6.422 22 HB2 PRO 3 2HB PRO 3 2.658 1.756 -8.371 23 HB3 PRO 3 3HB PRO 3 3.167 2.511 -6.856 24 HG2 PRO 3 2HG PRO 3 3.194 -0.380 -7.634 25 HG3 PRO 3 3HG PRO 3 4.432 0.561 -6.782 26 HD2 PRO 3 2HD PRO 3 2.711 -1.087 -5.495 27 HD3 PRO 3 3HD PRO 3 3.340 0.401 -4.759 28 H SER 4 H SER 4 -0.519 2.764 -8.038 29 HA SER 4 HA SER 4 -2.128 2.278 -9.575 30 HB2 SER 4 2HB SER 4 -1.388 1.252 -11.526 31 HB3 SER 4 3HB SER 4 0.136 1.735 -10.782 32 HG SER 4 HG SER 4 0.584 -0.311 -10.320 33 H PHE 5 H PHE 5 -2.197 0.861 -7.036 34 HA PHE 5 HA PHE 5 -3.176 -0.929 -6.002 35 HB2 PHE 5 2HB PHE 5 -4.937 -0.039 -8.190 36 HB3 PHE 5 3HB PHE 5 -5.290 -1.648 -7.570 37 HD1 PHE 5 HD1 PHE 5 -5.132 1.922 -6.753 38 HD2 PHE 5 HD2 PHE 5 -6.164 -1.966 -5.362 39 HE1 PHE 5 HE1 PHE 5 -6.340 2.924 -4.858 40 HE2 PHE 5 HE2 PHE 5 -7.374 -0.971 -3.466 41 HZ PHE 5 HZ PHE 5 -7.465 1.477 -3.212 42 H ALA 6 H ALA 6 -1.418 -2.384 -6.307 43 HA ALA 6 HA ALA 6 -0.537 -4.414 -6.844 44 HB1 ALA 6 1HB ALA 6 -3.375 -4.706 -7.286 45 HB2 ALA 6 2HB ALA 6 -2.445 -5.726 -8.384 46 HB3 ALA 6 3HB ALA 6 -2.210 -5.864 -6.642 47 HA PRO 7 HA PRO 7 0.608 -2.822 -11.002 48 HB2 PRO 7 2HB PRO 7 3.280 -3.085 -10.596 49 HB3 PRO 7 3HB PRO 7 2.364 -1.666 -10.074 50 HG2 PRO 7 2HG PRO 7 3.254 -4.038 -8.479 51 HG3 PRO 7 3HG PRO 7 3.291 -2.320 -8.044 52 HD2 PRO 7 2HD PRO 7 1.370 -4.007 -7.153 53 HD3 PRO 7 3HD PRO 7 1.060 -2.288 -7.469 54 H GLY 8 H GLY 8 0.752 -4.114 -12.733 55 HA2 GLY 8 2HA GLY 8 1.994 -5.901 -13.867 56 HA3 GLY 8 3HA GLY 8 1.917 -6.804 -12.361 57 H THR 9 H THR 9 -0.890 -5.044 -13.282 58 HA THR 9 HA THR 9 -2.294 -7.563 -13.743 59 HB THR 9 HB THR 9 -3.681 -4.910 -13.667 60 HG1 THR 9 HG1 THR 9 -3.774 -5.384 -11.284 61 HG21 THR 9 3HG2 THR 9 -4.924 -6.999 -14.150 62 HG22 THR 9 1HG2 THR 9 -5.467 -6.208 -12.671 63 HG23 THR 9 2HG2 THR 9 -4.425 -7.628 -12.580 64 H LEU 10 H LEU 10 -3.102 -8.173 -15.661 65 HA LEU 10 HA LEU 10 -2.560 -6.468 -17.967 66 HB2 LEU 10 2HB LEU 10 -1.969 -8.985 -17.722 67 HB3 LEU 10 3HB LEU 10 -3.665 -9.244 -18.124 68 HG LEU 10 HG LEU 10 -1.708 -7.759 -19.874 69 HD11 LEU 10 1HD1 LEU 10 -1.805 -9.794 -21.289 70 HD12 LEU 10 2HD1 LEU 10 -2.661 -10.615 -19.984 71 HD13 LEU 10 3HD1 LEU 10 -1.009 -10.051 -19.736 72 HD21 LEU 10 3HD2 LEU 10 -3.883 -7.024 -20.384 73 HD22 LEU 10 1HD2 LEU 10 -4.561 -8.642 -20.206 74 HD23 LEU 10 2HD2 LEU 10 -3.522 -8.268 -21.581 75 H VAL 11 H VAL 11 -4.104 -5.183 -18.704 76 HA VAL 11 HA VAL 11 -6.904 -6.086 -18.502 77 HB VAL 11 HB VAL 11 -7.543 -3.675 -18.387 78 HG11 VAL 11 1HG1 VAL 11 -6.987 -5.347 -16.393 79 HG12 VAL 11 2HG1 VAL 11 -5.778 -4.110 -16.046 80 HG13 VAL 11 3HG1 VAL 11 -7.488 -3.680 -16.115 81 HG21 VAL 11 3HG2 VAL 11 -4.577 -3.292 -17.989 82 HG22 VAL 11 1HG2 VAL 11 -5.552 -2.677 -19.324 83 HG23 VAL 11 2HG2 VAL 11 -5.803 -2.060 -17.692 84 H TRP 12 H TRP 12 -8.244 -4.434 -20.030 85 HA TRP 12 HA TRP 12 -6.922 -4.564 -22.662 86 HB2 TRP 12 2HB TRP 12 -9.647 -5.342 -21.768 87 HB3 TRP 12 3HB TRP 12 -9.516 -4.582 -23.352 88 HD1 TRP 12 HD1 TRP 12 -6.571 -6.718 -22.395 89 HE1 TRP 12 HE1 TRP 12 -6.622 -8.909 -23.745 90 HE3 TRP 12 HE3 TRP 12 -11.257 -6.326 -24.403 91 HZ2 TRP 12 HZ2 TRP 12 -8.412 -10.289 -25.437 92 HZ3 TRP 12 HZ3 TRP 12 -12.062 -8.124 -25.877 93 HH2 TRP 12 HH2 TRP 12 -10.667 -10.063 -26.382 94 H LEU 13 H LEU 13 -6.856 -2.760 -23.871 95 HA LEU 13 HA LEU 13 -8.305 -0.400 -22.863 96 HB2 LEU 13 2HB LEU 13 -5.620 -0.687 -23.032 97 HB3 LEU 13 3HB LEU 13 -5.971 0.015 -24.610 98 HG LEU 13 HG LEU 13 -7.355 1.645 -22.863 99 HD11 LEU 13 1HD1 LEU 13 -5.469 2.290 -21.269 100 HD12 LEU 13 2HD1 LEU 13 -4.804 0.691 -21.603 101 HD13 LEU 13 3HD1 LEU 13 -6.405 0.846 -20.880 102 HD21 LEU 13 3HD2 LEU 13 -4.538 2.237 -23.680 103 HD22 LEU 13 1HD2 LEU 13 -5.940 3.307 -23.637 104 HD23 LEU 13 2HD2 LEU 13 -5.807 2.077 -24.895 105 H LYS 14 H LYS 14 -9.925 0.189 -24.130 106 HA LYS 14 HA LYS 14 -9.771 -0.401 -27.006 107 HB2 LYS 14 2HB LYS 14 -11.698 -1.254 -25.491 108 HB3 LYS 14 3HB LYS 14 -12.281 0.404 -25.565 109 HG2 LYS 14 2HG LYS 14 -11.627 -0.982 -28.112 110 HG3 LYS 14 3HG LYS 14 -13.110 -1.421 -27.263 111 HD2 LYS 14 2HD LYS 14 -12.947 1.404 -27.275 112 HD3 LYS 14 3HD LYS 14 -12.594 0.850 -28.913 113 HE2 LYS 14 2HE LYS 14 -14.996 1.260 -28.547 114 HE3 LYS 14 3HE LYS 14 -14.653 -0.417 -28.966 115 HZ1 LYS 14 3HZ LYS 14 -15.564 -1.087 -27.077 116 HZ2 LYS 14 1HZ LYS 14 -16.049 0.504 -26.769 117 HZ3 LYS 14 2HZ LYS 14 -14.578 -0.065 -26.158 118 H GLN 15 H GLN 15 -9.012 1.288 -28.109 119 HA GLN 15 HA GLN 15 -9.207 3.979 -27.226 120 HB2 GLN 15 2HB GLN 15 -7.924 2.539 -29.358 121 HB3 GLN 15 3HB GLN 15 -8.715 3.970 -30.005 122 HG2 GLN 15 2HG GLN 15 -6.839 4.021 -27.657 123 HG3 GLN 15 3HG GLN 15 -6.334 4.282 -29.326 124 HE21 GLN 15 2HE2 GLN 15 -7.696 7.510 -29.576 125 HE22 GLN 15 1HE2 GLN 15 -7.183 6.110 -30.449 126 H ASP 16 H ASP 16 -10.132 5.720 -28.685 127 HA ASP 16 HA ASP 16 -12.924 5.384 -28.865 128 HB2 ASP 16 2HB ASP 16 -11.434 7.546 -28.638 129 HB3 ASP 16 3HB ASP 16 -11.534 7.545 -30.396 130 H ARG 17 H ARG 17 -10.496 5.797 -31.446 131 HA ARG 17 HA ARG 17 -12.448 4.788 -33.383 132 HB2 ARG 17 2HB ARG 17 -9.874 6.319 -33.640 133 HB3 ARG 17 3HB ARG 17 -10.577 5.493 -35.024 134 HG2 ARG 17 2HG ARG 17 -12.730 6.822 -34.300 135 HG3 ARG 17 3HG ARG 17 -11.539 7.885 -33.549 136 HD2 ARG 17 2HD ARG 17 -10.466 8.288 -35.633 137 HD3 ARG 17 3HD ARG 17 -11.390 7.013 -36.426 138 HE ARG 17 HE ARG 17 -13.145 8.959 -35.385 139 HH11 ARG 17 1HH1 ARG 17 -10.823 8.483 -37.936 140 HH12 ARG 17 2HH1 ARG 17 -11.579 9.611 -39.012 141 HH21 ARG 17 2HH2 ARG 17 -13.471 10.728 -38.360 142 HH22 ARG 17 1HH2 ARG 17 -14.149 10.446 -36.793 143 H PHE 18 H PHE 18 -9.465 3.976 -31.804 144 HA PHE 18 HA PHE 18 -8.891 1.774 -33.600 145 HB2 PHE 18 2HB PHE 18 -7.460 3.246 -31.552 146 HB3 PHE 18 3HB PHE 18 -7.281 1.509 -31.329 147 HD1 PHE 18 HD1 PHE 18 -7.575 3.505 -34.454 148 HD2 PHE 18 HD2 PHE 18 -5.135 1.003 -32.024 149 HE1 PHE 18 HE1 PHE 18 -5.865 3.460 -36.223 150 HE2 PHE 18 HE2 PHE 18 -3.422 0.954 -33.789 151 HZ PHE 18 HZ PHE 18 -3.785 2.184 -35.891 152 HA PRO 19 HA PRO 19 -10.976 -1.418 -31.431 153 HB2 PRO 19 2HB PRO 19 -9.250 -3.496 -31.706 154 HB3 PRO 19 3HB PRO 19 -10.214 -2.864 -33.046 155 HG2 PRO 19 2HG PRO 19 -7.350 -2.332 -32.357 156 HG3 PRO 19 3HG PRO 19 -8.080 -2.644 -33.943 157 HD2 PRO 19 2HD PRO 19 -7.451 -0.151 -33.095 158 HD3 PRO 19 3HD PRO 19 -8.829 -0.476 -34.166 159 H TRP 20 H TRP 20 -10.234 -3.430 -29.890 160 HA TRP 20 HA TRP 20 -8.966 -2.113 -27.596 161 HB2 TRP 20 2HB TRP 20 -10.012 -4.025 -26.303 162 HB3 TRP 20 3HB TRP 20 -11.145 -2.907 -27.057 163 HD1 TRP 20 HD1 TRP 20 -9.902 -6.511 -27.269 164 HE1 TRP 20 HE1 TRP 20 -11.521 -7.859 -28.747 165 HE3 TRP 20 HE3 TRP 20 -12.803 -2.675 -29.002 166 HZ2 TRP 20 HZ2 TRP 20 -13.735 -7.362 -30.426 167 HZ3 TRP 20 HZ3 TRP 20 -14.651 -3.197 -30.541 168 HH2 TRP 20 HH2 TRP 20 -15.106 -5.492 -31.237 169 H TRP 21 H TRP 21 -6.965 -2.644 -27.046 170 HA TRP 21 HA TRP 21 -5.952 -5.301 -27.818 171 HB2 TRP 21 2HB TRP 21 -4.599 -2.614 -27.946 172 HB3 TRP 21 3HB TRP 21 -3.673 -4.112 -27.899 173 HD1 TRP 21 HD1 TRP 21 -5.811 -5.705 -29.844 174 HE1 TRP 21 HE1 TRP 21 -5.686 -5.222 -32.369 175 HE3 TRP 21 HE3 TRP 21 -3.370 -1.216 -29.690 176 HZ2 TRP 21 HZ2 TRP 21 -4.684 -3.205 -34.070 177 HZ3 TRP 21 HZ3 TRP 21 -2.866 -0.075 -31.811 178 HH2 TRP 21 HH2 TRP 21 -3.509 -1.050 -33.955 179 HA PRO 22 HA PRO 22 -4.875 -5.975 -23.616 180 HB2 PRO 22 2HB PRO 22 -2.645 -7.500 -23.882 181 HB3 PRO 22 3HB PRO 22 -4.268 -8.102 -24.238 182 HG2 PRO 22 2HG PRO 22 -2.168 -7.095 -26.118 183 HG3 PRO 22 3HG PRO 22 -3.230 -8.506 -26.279 184 HD2 PRO 22 2HD PRO 22 -3.719 -6.162 -27.544 185 HD3 PRO 22 3HD PRO 22 -5.018 -7.236 -26.987 186 H GLY 23 H GLY 23 -3.577 -5.200 -21.976 187 HA2 GLY 23 2HA GLY 23 -0.997 -4.025 -22.551 188 HA3 GLY 23 3HA GLY 23 -2.251 -2.854 -22.168 189 H PHE 24 H PHE 24 0.288 -4.054 -20.811 190 HA PHE 24 HA PHE 24 -0.804 -5.046 -18.322 191 HB2 PHE 24 2HB PHE 24 2.070 -4.277 -18.740 192 HB3 PHE 24 3HB PHE 24 1.402 -5.523 -17.691 193 HD1 PHE 24 HD1 PHE 24 3.107 -4.943 -20.670 194 HD2 PHE 24 HD2 PHE 24 0.075 -7.419 -18.997 195 HE1 PHE 24 HE1 PHE 24 3.523 -6.627 -22.415 196 HE2 PHE 24 HE2 PHE 24 0.487 -9.106 -20.739 197 HZ PHE 24 HZ PHE 24 2.213 -8.712 -22.450 198 H VAL 25 H VAL 25 -1.234 -3.881 -16.559 199 HA VAL 25 HA VAL 25 -0.963 -1.017 -16.652 200 HB VAL 25 HB VAL 25 -2.003 -2.805 -14.449 201 HG11 VAL 25 1HG1 VAL 25 -3.099 -0.651 -13.691 202 HG12 VAL 25 2HG1 VAL 25 -1.357 -0.773 -13.432 203 HG13 VAL 25 3HG1 VAL 25 -1.985 0.185 -14.773 204 HG21 VAL 25 3HG2 VAL 25 -3.945 -1.145 -15.794 205 HG22 VAL 25 1HG2 VAL 25 -3.115 -2.208 -16.931 206 HG23 VAL 25 2HG2 VAL 25 -3.946 -2.889 -15.533 207 H MET 26 H MET 26 0.803 0.036 -16.051 208 HA MET 26 HA MET 26 2.340 -0.963 -13.758 209 HB2 MET 26 2HB MET 26 3.592 0.085 -16.301 210 HB3 MET 26 3HB MET 26 4.442 -0.504 -14.879 211 HG2 MET 26 2HG MET 26 2.722 -2.571 -15.666 212 HG3 MET 26 3HG MET 26 3.460 -1.954 -17.142 213 HE1 MET 26 3HE MET 26 5.812 -1.037 -16.929 214 HE2 MET 26 1HE MET 26 7.042 -1.595 -15.795 215 HE3 MET 26 2HE MET 26 6.767 -2.473 -17.299 216 H ASP 27 H ASP 27 3.176 0.593 -12.421 217 HA ASP 27 HA ASP 27 2.097 3.262 -12.756 218 HB2 ASP 27 2HB ASP 27 2.640 3.623 -10.486 219 HB3 ASP 27 3HB ASP 27 2.123 1.941 -10.566 220 HA PRO 28 HA PRO 28 5.744 5.094 -14.399 221 HB2 PRO 28 2HB PRO 28 5.327 7.662 -13.620 222 HB3 PRO 28 3HB PRO 28 4.419 6.895 -14.929 223 HG2 PRO 28 2HG PRO 28 3.629 7.322 -12.073 224 HG3 PRO 28 3HG PRO 28 2.666 7.543 -13.546 225 HD2 PRO 28 2HD PRO 28 2.447 5.346 -11.978 226 HD3 PRO 28 3HD PRO 28 2.210 5.292 -13.736 227 H ASP 29 H ASP 29 4.885 5.815 -11.037 228 HA ASP 29 HA ASP 29 7.387 5.130 -9.994 229 HB2 ASP 29 2HB ASP 29 7.646 7.498 -11.285 230 HB3 ASP 29 3HB ASP 29 7.182 8.063 -9.682 231 H GLU 30 H GLU 30 4.787 4.579 -9.296 232 HA GLU 30 HA GLU 30 3.444 4.406 -7.468 233 HB2 GLU 30 2HB GLU 30 5.531 5.971 -5.954 234 HB3 GLU 30 3HB GLU 30 4.351 4.842 -5.304 235 HG2 GLU 30 2HG GLU 30 5.539 3.089 -6.759 236 HG3 GLU 30 3HG GLU 30 6.843 4.270 -6.855 237 H VAL 31 H VAL 31 2.186 5.983 -8.832 238 HA VAL 31 HA VAL 31 2.077 8.689 -7.743 239 HB VAL 31 HB VAL 31 0.386 9.075 -9.551 240 HG11 VAL 31 1HG1 VAL 31 2.071 8.882 -11.423 241 HG12 VAL 31 2HG1 VAL 31 2.613 9.754 -9.988 242 HG13 VAL 31 3HG1 VAL 31 3.140 8.093 -10.263 243 HG21 VAL 31 3HG2 VAL 31 0.257 6.316 -9.621 244 HG22 VAL 31 1HG2 VAL 31 -0.447 7.424 -10.799 245 HG23 VAL 31 2HG2 VAL 31 1.148 6.729 -11.086 246 H ARG 32 H ARG 32 0.801 5.789 -6.933 247 HA ARG 32 HA ARG 32 -1.938 6.471 -6.505 248 HB2 ARG 32 2HB ARG 32 -0.978 4.130 -6.729 249 HB3 ARG 32 3HB ARG 32 -0.385 4.312 -5.083 250 HG2 ARG 32 2HG ARG 32 -3.164 5.002 -5.197 251 HG3 ARG 32 3HG ARG 32 -2.902 3.411 -5.914 252 HD2 ARG 32 2HD ARG 32 -2.368 2.477 -3.942 253 HD3 ARG 32 3HD ARG 32 -1.429 3.877 -3.424 254 HE ARG 32 HE ARG 32 -4.251 4.357 -3.394 255 HH11 ARG 32 1HH1 ARG 32 -1.590 2.991 -1.613 256 HH12 ARG 32 2HH1 ARG 32 -2.353 3.186 -0.069 257 HH21 ARG 32 2HH2 ARG 32 -4.444 4.112 0.069 258 HH22 ARG 32 1HH2 ARG 32 -5.266 4.620 -1.368 259 H ASP 33 H ASP 33 1.005 6.770 -4.657 260 HA ASP 33 HA ASP 33 -0.521 7.714 -2.330 261 HB2 ASP 33 2HB ASP 33 1.831 6.123 -2.597 262 HB3 ASP 33 3HB ASP 33 2.273 7.621 -1.781 263 H ILE 34 H ILE 34 1.902 8.651 -4.685 264 HA ILE 34 HA ILE 34 1.845 11.388 -3.594 265 HB ILE 34 HB ILE 34 3.989 10.146 -5.321 266 HG12 ILE 34 2HG1 ILE 34 5.037 10.874 -2.822 267 HG13 ILE 34 3HG1 ILE 34 3.521 10.053 -2.466 268 HG21 ILE 34 1HG2 ILE 34 3.871 12.809 -3.910 269 HG22 ILE 34 2HG2 ILE 34 5.262 12.172 -4.785 270 HG23 ILE 34 3HG2 ILE 34 3.772 12.545 -5.651 271 HD11 ILE 34 3HD1 ILE 34 4.387 8.238 -4.071 272 HD12 ILE 34 1HD1 ILE 34 5.959 9.000 -3.831 273 HD13 ILE 34 2HD1 ILE 34 5.077 8.345 -2.452 274 H THR 35 H THR 35 0.466 12.594 -4.718 275 HA THR 35 HA THR 35 0.165 12.137 -7.598 276 HB THR 35 HB THR 35 -1.756 13.868 -7.241 277 HG1 THR 35 HG1 THR 35 -2.579 13.676 -5.050 278 HG21 THR 35 3HG2 THR 35 -2.035 11.129 -6.007 279 HG22 THR 35 1HG2 THR 35 -1.988 11.425 -7.744 280 HG23 THR 35 2HG2 THR 35 -3.298 12.094 -6.771 281 H LEU 36 H LEU 36 1.685 13.241 -8.693 282 HA LEU 36 HA LEU 36 2.055 16.088 -8.028 283 HB2 LEU 36 2HB LEU 36 3.939 13.953 -8.620 284 HB3 LEU 36 3HB LEU 36 4.181 15.371 -9.638 285 HG LEU 36 HG LEU 36 4.461 16.761 -7.651 286 HD11 LEU 36 1HD1 LEU 36 3.663 16.121 -5.687 287 HD12 LEU 36 2HD1 LEU 36 4.836 14.806 -5.642 288 HD13 LEU 36 3HD1 LEU 36 3.244 14.542 -6.352 289 HD21 LEU 36 3HD2 LEU 36 6.612 15.934 -6.967 290 HD22 LEU 36 1HD2 LEU 36 6.399 15.607 -8.687 291 HD23 LEU 36 2HD2 LEU 36 6.207 14.306 -7.511 292 HA PRO 37 HA PRO 37 0.535 17.215 -11.990 293 HB2 PRO 37 2HB PRO 37 2.013 19.434 -12.501 294 HB3 PRO 37 3HB PRO 37 0.714 19.400 -11.302 295 HG2 PRO 37 2HG PRO 37 3.671 19.168 -10.899 296 HG3 PRO 37 3HG PRO 37 2.484 20.095 -9.963 297 HD2 PRO 37 2HD PRO 37 3.439 17.699 -9.138 298 HD3 PRO 37 3HD PRO 37 1.790 18.246 -8.775 299 H GLU 38 H GLU 38 0.903 16.475 -13.985 300 HA GLU 38 HA GLU 38 3.374 16.766 -15.350 301 HB2 GLU 38 2HB GLU 38 4.107 14.949 -13.934 302 HB3 GLU 38 3HB GLU 38 2.674 14.010 -14.328 303 HG2 GLU 38 2HG GLU 38 3.415 13.558 -16.489 304 HG3 GLU 38 3HG GLU 38 4.600 14.863 -16.455 305 H GLY 39 H GLY 39 0.877 14.215 -15.345 306 HA2 GLY 39 2HA GLY 39 -0.997 14.803 -17.021 307 HA3 GLY 39 3HA GLY 39 0.338 14.876 -18.162 308 H SER 40 H SER 40 1.349 12.573 -16.180 309 HA SER 40 HA SER 40 -0.225 10.412 -17.391 310 HB2 SER 40 2HB SER 40 2.112 9.220 -17.584 311 HB3 SER 40 3HB SER 40 1.573 10.321 -18.852 312 HG SER 40 HG SER 40 3.601 10.973 -18.360 313 H ASP 41 H ASP 41 -1.103 9.435 -15.686 314 HA ASP 41 HA ASP 41 0.531 9.044 -13.275 315 HB2 ASP 41 2HB ASP 41 -2.092 9.947 -13.588 316 HB3 ASP 41 3HB ASP 41 -2.259 8.295 -13.001 317 H VAL 42 H VAL 42 -1.215 7.392 -15.794 318 HA VAL 42 HA VAL 42 -0.393 4.812 -14.624 319 HB VAL 42 HB VAL 42 -2.778 5.336 -16.405 320 HG11 VAL 42 1HG1 VAL 42 -2.056 3.173 -16.924 321 HG12 VAL 42 2HG1 VAL 42 -1.601 2.826 -15.255 322 HG13 VAL 42 3HG1 VAL 42 -3.304 2.929 -15.703 323 HG21 VAL 42 3HG2 VAL 42 -4.142 4.877 -14.480 324 HG22 VAL 42 1HG2 VAL 42 -2.717 4.519 -13.504 325 HG23 VAL 42 2HG2 VAL 42 -3.007 6.163 -14.070 326 H TRP 43 H TRP 43 0.708 3.400 -15.891 327 HA TRP 43 HA TRP 43 1.292 4.271 -18.646 328 HB2 TRP 43 2HB TRP 43 3.104 4.052 -16.621 329 HB3 TRP 43 3HB TRP 43 3.219 2.453 -17.351 330 HD1 TRP 43 HD1 TRP 43 2.631 3.732 -20.383 331 HE1 TRP 43 HE1 TRP 43 4.638 4.821 -21.572 332 HE3 TRP 43 HE3 TRP 43 5.626 4.562 -16.324 333 HZ2 TRP 43 HZ2 TRP 43 7.157 5.890 -20.880 334 HZ3 TRP 43 HZ3 TRP 43 7.819 5.622 -16.673 335 HH2 TRP 43 HH2 TRP 43 8.567 6.271 -18.905 336 H VAL 44 H VAL 44 0.287 3.014 -20.064 337 HA VAL 44 HA VAL 44 -0.214 0.203 -19.402 338 HB VAL 44 HB VAL 44 -1.302 1.771 -21.741 339 HG11 VAL 44 1HG1 VAL 44 -2.289 -0.115 -22.386 340 HG12 VAL 44 2HG1 VAL 44 -1.287 -0.962 -21.206 341 HG13 VAL 44 3HG1 VAL 44 -2.906 -0.419 -20.762 342 HG21 VAL 44 3HG2 VAL 44 -3.418 1.791 -20.336 343 HG22 VAL 44 1HG2 VAL 44 -2.388 1.377 -18.966 344 HG23 VAL 44 2HG2 VAL 44 -2.131 2.889 -19.837 345 H CYS 45 H CYS 45 1.244 -1.215 -20.078 346 HA CYS 45 HA CYS 45 2.844 -0.618 -22.456 347 HB2 CYS 45 2HB CYS 45 3.239 -2.891 -20.507 348 HB3 CYS 45 3HB CYS 45 4.394 -2.270 -21.680 349 HG CYS 45 HG CYS 45 5.395 -1.453 -19.286 350 H CYS 46 H CYS 46 1.608 -1.170 -24.190 351 HA CYS 46 HA CYS 46 0.035 -3.561 -24.268 352 HB2 CYS 46 2HB CYS 46 0.851 -1.641 -26.458 353 HB3 CYS 46 3HB CYS 46 -0.298 -2.958 -26.664 354 HG CYS 46 HG CYS 46 -1.312 -0.163 -26.289 355 H LEU 47 H LEU 47 0.331 -5.038 -26.276 356 HA LEU 47 HA LEU 47 2.783 -6.415 -25.946 357 HB2 LEU 47 2HB LEU 47 1.821 -8.068 -27.136 358 HB3 LEU 47 3HB LEU 47 0.359 -7.142 -26.803 359 HG LEU 47 HG LEU 47 1.965 -7.033 -29.356 360 HD11 LEU 47 1HD1 LEU 47 -0.383 -8.616 -28.480 361 HD12 LEU 47 2HD1 LEU 47 0.914 -9.033 -29.598 362 HD13 LEU 47 3HD1 LEU 47 -0.393 -7.972 -30.122 363 HD21 LEU 47 3HD2 LEU 47 -0.523 -5.971 -29.832 364 HD22 LEU 47 1HD2 LEU 47 0.963 -5.052 -29.596 365 HD23 LEU 47 2HD2 LEU 47 -0.123 -5.336 -28.235 366 HA PRO 48 HA PRO 48 5.440 -4.642 -28.954 367 HB2 PRO 48 2HB PRO 48 6.709 -6.822 -29.957 368 HB3 PRO 48 3HB PRO 48 7.016 -6.194 -28.334 369 HG2 PRO 48 2HG PRO 48 5.285 -8.484 -29.183 370 HG3 PRO 48 3HG PRO 48 6.409 -8.378 -27.815 371 HD2 PRO 48 2HD PRO 48 3.733 -8.084 -27.527 372 HD3 PRO 48 3HD PRO 48 4.904 -7.227 -26.504 373 H ARG 49 H ARG 49 4.406 -3.739 -30.656 374 HA ARG 49 HA ARG 49 4.171 -5.272 -33.081 375 HB2 ARG 49 2HB ARG 49 1.833 -4.970 -33.462 376 HB3 ARG 49 3HB ARG 49 2.012 -5.703 -31.874 377 HG2 ARG 49 2HG ARG 49 0.522 -4.114 -31.305 378 HG3 ARG 49 3HG ARG 49 1.977 -3.127 -31.157 379 HD2 ARG 49 2HD ARG 49 0.666 -1.770 -32.465 380 HD3 ARG 49 3HD ARG 49 1.552 -2.665 -33.699 381 HE ARG 49 HE ARG 49 -0.961 -3.856 -32.946 382 HH11 ARG 49 1HH1 ARG 49 0.640 -1.590 -35.049 383 HH12 ARG 49 2HH1 ARG 49 -0.589 -1.652 -36.268 384 HH21 ARG 49 2HH2 ARG 49 -2.425 -2.992 -35.979 385 HH22 ARG 49 1HH2 ARG 49 -2.587 -3.946 -34.544 386 H ASP 50 H ASP 50 3.747 -2.259 -31.341 387 HA ASP 50 HA ASP 50 4.162 -0.780 -33.854 388 HB2 ASP 50 2HB ASP 50 2.282 -0.412 -31.765 389 HB3 ASP 50 3HB ASP 50 3.405 0.943 -31.691 390 H SER 51 H SER 51 6.041 -2.048 -31.716 391 HA SER 51 HA SER 51 8.171 -1.622 -31.022 392 HB2 SER 51 2HB SER 51 8.134 -0.248 -33.257 393 HB3 SER 51 3HB SER 51 8.095 1.145 -32.176 394 HG SER 51 HG SER 51 10.231 0.203 -32.898 395 H LEU 52 H LEU 52 6.693 -1.515 -29.010 396 HA LEU 52 HA LEU 52 6.400 -0.677 -26.916 397 HB2 LEU 52 2HB LEU 52 8.774 0.665 -27.923 398 HB3 LEU 52 3HB LEU 52 7.903 1.635 -26.737 399 HG LEU 52 HG LEU 52 8.052 -0.266 -25.148 400 HD11 LEU 52 1HD1 LEU 52 10.212 -1.670 -26.346 401 HD12 LEU 52 2HD1 LEU 52 8.856 -1.667 -27.472 402 HD13 LEU 52 3HD1 LEU 52 8.640 -2.286 -25.835 403 HD21 LEU 52 3HD2 LEU 52 10.707 0.676 -26.225 404 HD22 LEU 52 1HD2 LEU 52 10.392 0.056 -24.605 405 HD23 LEU 52 2HD2 LEU 52 9.674 1.583 -25.119 406 H THR 53 H THR 53 4.237 -0.148 -27.677 407 HA THR 53 HA THR 53 3.755 2.670 -28.279 408 HB THR 53 HB THR 53 1.412 0.916 -28.028 409 HG1 THR 53 HG1 THR 53 3.570 0.272 -29.724 410 HG21 THR 53 3HG2 THR 53 2.493 2.824 -30.094 411 HG22 THR 53 1HG2 THR 53 1.126 3.061 -29.005 412 HG23 THR 53 2HG2 THR 53 1.010 1.899 -30.327 413 H LEU 54 H LEU 54 4.681 2.129 -25.678 414 HA LEU 54 HA LEU 54 2.779 1.775 -23.703 415 HB2 LEU 54 2HB LEU 54 5.032 3.754 -23.503 416 HB3 LEU 54 3HB LEU 54 4.281 2.830 -22.204 417 HG LEU 54 HG LEU 54 5.344 0.964 -24.041 418 HD11 LEU 54 1HD1 LEU 54 7.423 1.624 -24.610 419 HD12 LEU 54 2HD1 LEU 54 7.634 2.593 -23.152 420 HD13 LEU 54 3HD1 LEU 54 6.706 3.232 -24.508 421 HD21 LEU 54 3HD2 LEU 54 6.825 1.578 -21.564 422 HD22 LEU 54 1HD2 LEU 54 6.179 0.046 -22.155 423 HD23 LEU 54 2HD2 LEU 54 5.109 1.212 -21.376 424 H SER 55 H SER 55 1.019 2.862 -23.149 425 HA SER 55 HA SER 55 0.733 5.639 -24.069 426 HB2 SER 55 2HB SER 55 -0.973 3.469 -24.356 427 HB3 SER 55 3HB SER 55 -1.690 4.387 -23.032 428 HG SER 55 HG SER 55 -2.010 4.895 -25.518 429 H ALA 56 H ALA 56 1.067 7.142 -22.583 430 HA ALA 56 HA ALA 56 0.497 6.506 -19.766 431 HB1 ALA 56 1HB ALA 56 2.103 8.898 -20.416 432 HB2 ALA 56 2HB ALA 56 2.302 7.709 -19.128 433 HB3 ALA 56 3HB ALA 56 2.842 7.335 -20.765 434 H ALA 57 H ALA 57 -0.996 7.638 -18.675 435 HA ALA 57 HA ALA 57 -1.833 10.266 -19.542 436 HB1 ALA 57 1HB ALA 57 -4.300 9.362 -19.482 437 HB2 ALA 57 2HB ALA 57 -3.340 9.283 -20.959 438 HB3 ALA 57 3HB ALA 57 -3.523 7.849 -19.949 439 H ASN 58 H ASN 58 -2.831 11.440 -17.931 440 HA ASN 58 HA ASN 58 -3.061 10.083 -15.326 441 HB2 ASN 58 2HB ASN 58 -1.212 11.676 -15.355 442 HB3 ASN 58 3HB ASN 58 -2.291 12.950 -15.915 443 HD21 ASN 58 2HD2 ASN 58 -2.041 13.646 -12.413 444 HD22 ASN 58 1HD2 ASN 58 -1.172 13.840 -13.894 445 H SER 59 H SER 59 -5.172 9.710 -15.019 446 HA SER 59 HA SER 59 -7.418 10.035 -14.826 447 HB2 SER 59 2HB SER 59 -6.484 12.859 -14.265 448 HB3 SER 59 3HB SER 59 -8.114 12.263 -13.954 449 HG SER 59 HG SER 59 -7.354 10.968 -12.372 450 H GLU 60 H GLU 60 -6.259 10.264 -17.475 451 HA GLU 60 HA GLU 60 -8.210 12.090 -18.719 452 HB2 GLU 60 2HB GLU 60 -5.489 12.170 -19.015 453 HB3 GLU 60 3HB GLU 60 -5.969 11.188 -20.392 454 HG2 GLU 60 2HG GLU 60 -7.748 13.154 -20.651 455 HG3 GLU 60 3HG GLU 60 -6.468 14.045 -19.829 456 H ASP 61 H ASP 61 -6.893 8.879 -18.602 457 HA ASP 61 HA ASP 61 -8.443 8.002 -20.907 458 HB2 ASP 61 2HB ASP 61 -6.129 7.156 -20.527 459 HB3 ASP 61 3HB ASP 61 -6.694 6.372 -19.054 460 H GLU 62 H GLU 62 -10.550 7.720 -20.554 461 HA GLU 62 HA GLU 62 -11.373 5.923 -18.417 462 HB2 GLU 62 2HB GLU 62 -11.617 8.682 -18.092 463 HB3 GLU 62 3HB GLU 62 -13.221 8.157 -18.583 464 HG2 GLU 62 2HG GLU 62 -13.035 6.394 -16.766 465 HG3 GLU 62 3HG GLU 62 -11.633 7.294 -16.190 466 H GLY 63 H GLY 63 -11.253 6.123 -21.451 467 HA2 GLY 63 2HA GLY 63 -13.922 6.236 -22.414 468 HA3 GLY 63 3HA GLY 63 -12.547 5.545 -23.262 469 H GLN 64 H GLN 64 -12.204 3.353 -23.215 470 HA GLN 64 HA GLN 64 -14.173 1.749 -21.726 471 HB2 GLN 64 2HB GLN 64 -13.634 1.841 -24.609 472 HB3 GLN 64 3HB GLN 64 -13.628 0.216 -23.935 473 HG2 GLN 64 2HG GLN 64 -15.825 0.533 -24.604 474 HG3 GLN 64 3HG GLN 64 -15.865 0.852 -22.871 475 HE21 GLN 64 2HE2 GLN 64 -17.391 3.896 -23.360 476 HE22 GLN 64 1HE2 GLN 64 -17.211 2.439 -22.450 477 H ILE 65 H ILE 65 -13.289 0.271 -20.447 478 HA ILE 65 HA ILE 65 -10.712 -0.913 -21.173 479 HB ILE 65 HB ILE 65 -10.095 0.878 -19.676 480 HG12 ILE 65 2HG1 ILE 65 -9.971 -1.385 -17.768 481 HG13 ILE 65 3HG1 ILE 65 -9.346 -1.703 -19.383 482 HG21 ILE 65 1HG2 ILE 65 -11.623 1.603 -18.228 483 HG22 ILE 65 2HG2 ILE 65 -12.524 0.091 -18.313 484 HG23 ILE 65 3HG2 ILE 65 -11.166 0.246 -17.199 485 HD11 ILE 65 3HD1 ILE 65 -8.324 0.796 -18.526 486 HD12 ILE 65 1HD1 ILE 65 -8.087 -0.375 -17.228 487 HD13 ILE 65 2HD1 ILE 65 -7.454 -0.706 -18.841 488 H ARG 66 H ARG 66 -10.417 -3.005 -20.481 489 HA ARG 66 HA ARG 66 -12.638 -4.212 -18.969 490 HB2 ARG 66 2HB ARG 66 -11.604 -4.865 -21.618 491 HB3 ARG 66 3HB ARG 66 -11.622 -6.254 -20.539 492 HG2 ARG 66 2HG ARG 66 -14.045 -5.579 -20.034 493 HG3 ARG 66 3HG ARG 66 -13.916 -4.581 -21.484 494 HD2 ARG 66 2HD ARG 66 -12.945 -6.883 -22.448 495 HD3 ARG 66 3HD ARG 66 -14.007 -7.525 -21.196 496 HE ARG 66 HE ARG 66 -15.795 -6.958 -22.494 497 HH11 ARG 66 1HH1 ARG 66 -13.020 -5.145 -23.560 498 HH12 ARG 66 2HH1 ARG 66 -13.830 -4.462 -24.931 499 HH21 ARG 66 2HH2 ARG 66 -16.021 -4.986 -25.348 500 HH22 ARG 66 1HH2 ARG 66 -16.872 -6.066 -24.296 501 H TYR 67 H TYR 67 -12.116 -5.995 -17.639 502 HA TYR 67 HA TYR 67 -9.350 -5.945 -16.705 503 HB2 TYR 67 2HB TYR 67 -11.736 -7.323 -15.460 504 HB3 TYR 67 3HB TYR 67 -10.173 -7.029 -14.706 505 HD1 TYR 67 HD1 TYR 67 -13.367 -5.546 -15.687 506 HD2 TYR 67 HD2 TYR 67 -9.568 -4.800 -13.924 507 HE1 TYR 67 HE1 TYR 67 -14.201 -3.404 -14.813 508 HE2 TYR 67 HE2 TYR 67 -10.391 -2.655 -13.044 509 HH TYR 67 HH TYR 67 -12.515 -0.987 -13.957 510 H PHE 68 H PHE 68 -7.984 -7.375 -17.524 511 HA PHE 68 HA PHE 68 -9.006 -9.962 -18.459 512 HB2 PHE 68 2HB PHE 68 -7.269 -8.144 -19.641 513 HB3 PHE 68 3HB PHE 68 -6.206 -9.415 -19.045 514 HD1 PHE 68 HD1 PHE 68 -9.599 -9.373 -20.603 515 HD2 PHE 68 HD2 PHE 68 -5.615 -10.867 -20.712 516 HE1 PHE 68 HE1 PHE 68 -10.176 -10.761 -22.551 517 HE2 PHE 68 HE2 PHE 68 -6.186 -12.257 -22.660 518 HZ PHE 68 HZ PHE 68 -8.468 -12.204 -23.583 519 H LEU 69 H LEU 69 -8.159 -11.896 -17.748 520 HA LEU 69 HA LEU 69 -5.880 -12.215 -16.155 521 HB2 LEU 69 2HB LEU 69 -8.243 -11.308 -14.755 522 HB3 LEU 69 3HB LEU 69 -7.704 -12.876 -14.157 523 HG LEU 69 HG LEU 69 -5.575 -10.869 -14.426 524 HD11 LEU 69 1HD1 LEU 69 -6.208 -9.425 -12.732 525 HD12 LEU 69 2HD1 LEU 69 -7.461 -10.511 -12.133 526 HD13 LEU 69 3HD1 LEU 69 -7.706 -9.631 -13.641 527 HD21 LEU 69 3HD2 LEU 69 -5.336 -11.752 -11.968 528 HD22 LEU 69 1HD2 LEU 69 -4.882 -12.766 -13.338 529 HD23 LEU 69 2HD2 LEU 69 -6.434 -13.009 -12.538 530 HA PRO 70 HA PRO 70 -8.526 -16.240 -15.890 531 HB2 PRO 70 2HB PRO 70 -11.089 -16.122 -16.777 532 HB3 PRO 70 3HB PRO 70 -10.634 -15.776 -15.104 533 HG2 PRO 70 2HG PRO 70 -11.193 -13.873 -17.346 534 HG3 PRO 70 3HG PRO 70 -11.707 -13.787 -15.651 535 HD2 PRO 70 2HD PRO 70 -9.619 -12.358 -16.615 536 HD3 PRO 70 3HD PRO 70 -9.675 -12.960 -14.946 537 H ASP 71 H ASP 71 -8.503 -14.065 -18.517 538 HA ASP 71 HA ASP 71 -8.379 -14.306 -20.781 539 HB2 ASP 71 2HB ASP 71 -6.999 -16.747 -19.718 540 HB3 ASP 71 3HB ASP 71 -7.203 -16.543 -21.455 541 H ARG 72 H ARG 72 -10.863 -15.097 -19.569 542 HA ARG 72 HA ARG 72 -11.774 -17.026 -21.598 543 HB2 ARG 72 2HB ARG 72 -12.444 -16.922 -18.666 544 HB3 ARG 72 3HB ARG 72 -13.524 -17.687 -19.825 545 HG2 ARG 72 2HG ARG 72 -11.785 -19.247 -20.462 546 HG3 ARG 72 3HG ARG 72 -10.645 -18.447 -19.378 547 HD2 ARG 72 2HD ARG 72 -11.833 -19.145 -17.458 548 HD3 ARG 72 3HD ARG 72 -13.232 -19.635 -18.414 549 HE ARG 72 HE ARG 72 -10.825 -21.074 -19.051 550 HH11 ARG 72 1HH1 ARG 72 -13.617 -20.928 -16.977 551 HH12 ARG 72 2HH1 ARG 72 -13.592 -22.620 -16.606 552 HH21 ARG 72 2HH2 ARG 72 -11.978 -23.970 -17.511 553 HH22 ARG 72 1HH2 ARG 72 -10.781 -23.303 -18.570 554 H ASP 73 H ASP 73 -11.757 -14.029 -21.371 555 HA ASP 73 HA ASP 73 -14.616 -13.436 -21.255 556 HB2 ASP 73 2HB ASP 73 -12.899 -11.964 -20.123 557 HB3 ASP 73 3HB ASP 73 -12.351 -11.495 -21.730 558 H GLU 74 H GLU 74 -13.614 -15.066 -23.401 559 HA GLU 74 HA GLU 74 -13.814 -15.304 -25.654 560 HB2 GLU 74 2HB GLU 74 -15.437 -12.759 -25.475 561 HB3 GLU 74 3HB GLU 74 -15.449 -13.907 -26.806 562 HG2 GLU 74 2HG GLU 74 -16.257 -15.631 -25.155 563 HG3 GLU 74 3HG GLU 74 -16.485 -14.305 -24.016 564 H GLY 75 H GLY 75 -11.463 -14.131 -24.807 565 HA2 GLY 75 2HA GLY 75 -10.852 -12.433 -27.128 566 HA3 GLY 75 3HA GLY 75 -10.385 -11.882 -25.526 567 H MET 76 H MET 76 -9.636 -14.431 -24.483 568 HA MET 76 HA MET 76 -6.953 -14.526 -25.089 569 HB2 MET 76 2HB MET 76 -7.804 -15.604 -23.114 570 HB3 MET 76 3HB MET 76 -8.763 -16.721 -24.076 571 HG2 MET 76 2HG MET 76 -6.000 -16.896 -24.823 572 HG3 MET 76 3HG MET 76 -6.177 -17.094 -23.081 573 HE1 MET 76 3HE MET 76 -7.156 -20.389 -22.462 574 HE2 MET 76 1HE MET 76 -6.977 -18.720 -21.920 575 HE3 MET 76 2HE MET 76 -8.567 -19.334 -22.370 576 H MET 77 H MET 77 -9.622 -16.062 -26.737 577 HA MET 77 HA MET 77 -8.208 -17.961 -28.234 578 HB2 MET 77 2HB MET 77 -10.133 -17.852 -29.804 579 HB3 MET 77 3HB MET 77 -10.616 -18.034 -28.123 580 HG2 MET 77 2HG MET 77 -12.038 -16.377 -28.569 581 HG3 MET 77 3HG MET 77 -10.628 -15.334 -28.389 582 HE1 MET 77 3HE MET 77 -13.309 -15.578 -31.871 583 HE2 MET 77 1HE MET 77 -12.944 -17.173 -31.213 584 HE3 MET 77 2HE MET 77 -13.555 -15.902 -30.155 585 H GLU 78 H GLU 78 -8.907 -14.552 -28.864 586 HA GLU 78 HA GLU 78 -7.462 -14.653 -31.389 587 HB2 GLU 78 2HB GLU 78 -9.559 -13.349 -31.206 588 HB3 GLU 78 3HB GLU 78 -8.792 -12.314 -30.010 589 HG2 GLU 78 2HG GLU 78 -7.500 -11.244 -31.555 590 HG3 GLU 78 3HG GLU 78 -7.473 -12.624 -32.651 591 H GLU 79 H GLU 79 -6.912 -13.859 -28.099 592 HA GLU 79 HA GLU 79 -4.493 -12.336 -28.750 593 HB2 GLU 79 2HB GLU 79 -5.672 -12.822 -26.014 594 HB3 GLU 79 3HB GLU 79 -4.464 -11.626 -26.462 595 HG2 GLU 79 2HG GLU 79 -6.559 -10.990 -28.104 596 HG3 GLU 79 3HG GLU 79 -7.370 -11.511 -26.628 597 H GLY 80 H GLY 80 -4.952 -15.345 -28.938 598 HA2 GLY 80 2HA GLY 80 -2.370 -16.081 -27.888 599 HA3 GLY 80 3HA GLY 80 -3.709 -16.850 -27.048 600 H LYS 81 H LYS 81 -5.420 -17.144 -29.310 601 HA LYS 81 HA LYS 81 -4.014 -19.344 -30.649 602 HB2 LYS 81 2HB LYS 81 -6.542 -19.170 -29.450 603 HB3 LYS 81 3HB LYS 81 -6.857 -19.224 -31.179 604 HG2 LYS 81 2HG LYS 81 -5.030 -21.200 -30.949 605 HG3 LYS 81 3HG LYS 81 -5.828 -21.301 -29.377 606 HD2 LYS 81 2HD LYS 81 -7.313 -22.588 -30.473 607 HD3 LYS 81 3HD LYS 81 -7.964 -21.046 -31.034 608 HE2 LYS 81 2HE LYS 81 -6.397 -21.230 -32.997 609 HE3 LYS 81 3HE LYS 81 -6.048 -22.875 -32.469 610 HZ1 LYS 81 3HZ LYS 81 -8.183 -21.988 -34.031 611 HZ2 LYS 81 1HZ LYS 81 -8.830 -22.530 -32.565 612 HZ3 LYS 81 2HZ LYS 81 -7.866 -23.562 -33.496 613 H LEU 82 H LEU 82 -3.987 -16.384 -31.334 614 HA LEU 82 HA LEU 82 -4.649 -16.734 -34.176 615 HB2 LEU 82 2HB LEU 82 -5.675 -14.746 -32.301 616 HB3 LEU 82 3HB LEU 82 -4.979 -14.039 -33.758 617 HG LEU 82 HG LEU 82 -7.407 -14.357 -33.933 618 HD11 LEU 82 1HD1 LEU 82 -6.588 -16.346 -35.880 619 HD12 LEU 82 2HD1 LEU 82 -5.475 -14.981 -35.801 620 HD13 LEU 82 3HD1 LEU 82 -7.187 -14.705 -36.121 621 HD21 LEU 82 3HD2 LEU 82 -7.193 -17.277 -34.207 622 HD22 LEU 82 1HD2 LEU 82 -8.480 -16.289 -33.516 623 HD23 LEU 82 2HD2 LEU 82 -7.044 -16.659 -32.561 624 H ASP 83 H ASP 83 -3.042 -14.462 -31.941 625 HA ASP 83 HA ASP 83 -0.802 -14.330 -33.853 626 HB2 ASP 83 2HB ASP 83 -1.316 -12.168 -31.843 627 HB3 ASP 83 3HB ASP 83 -0.495 -12.071 -33.398 628 H ALA 84 H ALA 84 1.079 -15.096 -33.163 629 HA ALA 84 HA ALA 84 1.444 -16.303 -30.674 630 HB1 ALA 84 1HB ALA 84 2.765 -16.865 -32.655 631 HB2 ALA 84 2HB ALA 84 3.568 -15.297 -32.565 632 HB3 ALA 84 3HB ALA 84 3.796 -16.480 -31.277 633 H SER 85 H SER 85 1.993 -13.020 -31.718 634 HA SER 85 HA SER 85 3.695 -12.183 -29.638 635 HB2 SER 85 2HB SER 85 1.673 -10.350 -30.896 636 HB3 SER 85 3HB SER 85 3.327 -9.999 -30.397 637 HG SER 85 HG SER 85 4.073 -11.191 -32.146 638 H CYS 86 H CYS 86 0.176 -12.287 -29.916 639 HA CYS 86 HA CYS 86 -0.369 -10.949 -27.481 640 HB2 CYS 86 2HB CYS 86 -2.063 -12.910 -29.044 641 HB3 CYS 86 3HB CYS 86 -2.645 -11.900 -27.726 642 HG CYS 86 HG CYS 86 -1.157 -10.248 -30.248 643 H ALA 87 H ALA 87 -0.157 -14.387 -28.336 644 HA ALA 87 HA ALA 87 -0.840 -15.419 -25.815 645 HB1 ALA 87 1HB ALA 87 0.988 -17.196 -27.019 646 HB2 ALA 87 2HB ALA 87 -0.775 -17.281 -27.017 647 HB3 ALA 87 3HB ALA 87 0.066 -16.443 -28.321 648 H VAL 88 H VAL 88 2.250 -14.406 -27.178 649 HA VAL 88 HA VAL 88 3.856 -15.377 -25.042 650 HB VAL 88 HB VAL 88 4.407 -13.237 -27.100 651 HG11 VAL 88 1HG1 VAL 88 5.945 -14.136 -24.771 652 HG12 VAL 88 2HG1 VAL 88 6.846 -14.124 -26.289 653 HG13 VAL 88 3HG1 VAL 88 6.070 -12.649 -25.710 654 HG21 VAL 88 3HG2 VAL 88 5.913 -15.724 -27.230 655 HG22 VAL 88 1HG2 VAL 88 4.174 -15.964 -27.408 656 HG23 VAL 88 2HG2 VAL 88 5.029 -14.869 -28.494 657 H ALA 89 H ALA 89 2.437 -12.215 -25.785 658 HA ALA 89 HA ALA 89 3.587 -10.782 -23.666 659 HB1 ALA 89 1HB ALA 89 0.987 -9.757 -24.191 660 HB2 ALA 89 2HB ALA 89 2.550 -9.121 -24.706 661 HB3 ALA 89 3HB ALA 89 1.697 -10.287 -25.716 662 H ILE 90 H ILE 90 0.511 -12.541 -23.876 663 HA ILE 90 HA ILE 90 -0.374 -11.892 -21.268 664 HB ILE 90 HB ILE 90 -1.113 -14.255 -22.997 665 HG12 ILE 90 2HG1 ILE 90 -2.657 -11.697 -22.572 666 HG13 ILE 90 3HG1 ILE 90 -1.524 -11.911 -23.902 667 HG21 ILE 90 1HG2 ILE 90 -1.969 -14.960 -21.022 668 HG22 ILE 90 2HG2 ILE 90 -2.028 -13.334 -20.342 669 HG23 ILE 90 3HG2 ILE 90 -3.273 -13.863 -21.473 670 HD11 ILE 90 3HD1 ILE 90 -2.997 -14.084 -24.287 671 HD12 ILE 90 1HD1 ILE 90 -4.204 -13.081 -23.481 672 HD13 ILE 90 2HD1 ILE 90 -3.428 -12.511 -24.959 673 H GLU 91 H GLU 91 1.251 -14.770 -22.581 674 HA GLU 91 HA GLU 91 1.343 -16.270 -20.235 675 HB2 GLU 91 2HB GLU 91 2.026 -16.856 -22.695 676 HB3 GLU 91 3HB GLU 91 3.621 -16.329 -22.178 677 HG2 GLU 91 2HG GLU 91 3.635 -17.995 -20.421 678 HG3 GLU 91 3HG GLU 91 2.000 -18.491 -20.853 679 H GLU 92 H GLU 92 3.459 -13.713 -21.400 680 HA GLU 92 HA GLU 92 5.457 -14.062 -19.398 681 HB2 GLU 92 2HB GLU 92 4.800 -11.753 -21.227 682 HB3 GLU 92 3HB GLU 92 6.164 -11.746 -20.118 683 HG2 GLU 92 2HG GLU 92 5.988 -14.088 -21.883 684 HG3 GLU 92 3HG GLU 92 6.293 -12.550 -22.686 685 H ALA 93 H ALA 93 2.692 -11.873 -19.759 686 HA ALA 93 HA ALA 93 3.104 -10.310 -17.486 687 HB1 ALA 93 1HB ALA 93 1.248 -9.314 -18.190 688 HB2 ALA 93 2HB ALA 93 1.139 -10.538 -19.455 689 HB3 ALA 93 3HB ALA 93 0.296 -10.775 -17.924 690 H ILE 94 H ILE 94 1.359 -13.373 -17.861 691 HA ILE 94 HA ILE 94 0.538 -13.487 -15.124 692 HB ILE 94 HB ILE 94 -0.155 -15.784 -15.614 693 HG12 ILE 94 2HG1 ILE 94 1.179 -15.300 -18.286 694 HG13 ILE 94 3HG1 ILE 94 1.682 -16.462 -17.063 695 HG21 ILE 94 1HG2 ILE 94 -1.094 -14.494 -18.066 696 HG22 ILE 94 2HG2 ILE 94 -1.999 -15.072 -16.668 697 HG23 ILE 94 3HG2 ILE 94 -1.226 -13.488 -16.624 698 HD11 ILE 94 3HD1 ILE 94 -0.630 -17.503 -17.375 699 HD12 ILE 94 1HD1 ILE 94 -0.717 -16.539 -18.848 700 HD13 ILE 94 2HD1 ILE 94 0.564 -17.736 -18.652 701 H GLN 95 H GLN 95 3.246 -14.729 -16.979 702 HA GLN 95 HA GLN 95 4.232 -16.527 -15.037 703 HB2 GLN 95 2HB GLN 95 5.345 -15.204 -17.467 704 HB3 GLN 95 3HB GLN 95 6.469 -15.959 -16.344 705 HG2 GLN 95 2HG GLN 95 4.110 -17.524 -17.241 706 HG3 GLN 95 3HG GLN 95 5.440 -17.279 -18.372 707 HE21 GLN 95 2HE2 GLN 95 6.310 -20.386 -16.803 708 HE22 GLN 95 1HE2 GLN 95 5.254 -19.736 -18.005 709 H LEU 96 H LEU 96 4.570 -13.083 -15.484 710 HA LEU 96 HA LEU 96 6.684 -12.862 -13.513 711 HB2 LEU 96 2HB LEU 96 5.103 -10.755 -14.979 712 HB3 LEU 96 3HB LEU 96 6.469 -10.437 -13.912 713 HG LEU 96 HG LEU 96 6.854 -12.221 -16.273 714 HD11 LEU 96 1HD1 LEU 96 6.216 -10.625 -17.687 715 HD12 LEU 96 2HD1 LEU 96 7.626 -9.718 -17.142 716 HD13 LEU 96 3HD1 LEU 96 6.053 -9.435 -16.396 717 HD21 LEU 96 3HD2 LEU 96 8.599 -11.861 -14.516 718 HD22 LEU 96 1HD2 LEU 96 8.654 -10.166 -15.004 719 HD23 LEU 96 2HD2 LEU 96 9.100 -11.429 -16.152 720 H TYR 97 H TYR 97 3.251 -12.038 -13.798 721 HA TYR 97 HA TYR 97 2.946 -10.766 -11.326 722 HB2 TYR 97 2HB TYR 97 1.235 -10.672 -13.068 723 HB3 TYR 97 3HB TYR 97 0.933 -12.397 -12.889 724 HD1 TYR 97 HD1 TYR 97 -0.893 -13.019 -11.629 725 HD2 TYR 97 HD2 TYR 97 1.021 -9.319 -10.763 726 HE1 TYR 97 HE1 TYR 97 -2.593 -12.548 -9.916 727 HE2 TYR 97 HE2 TYR 97 -0.674 -8.838 -9.047 728 HH TYR 97 HH TYR 97 -3.382 -11.057 -8.465 729 H GLU 98 H GLU 98 2.649 -14.183 -12.214 730 HA GLU 98 HA GLU 98 1.933 -15.013 -9.566 731 HB2 GLU 98 2HB GLU 98 1.518 -16.166 -11.902 732 HB3 GLU 98 3HB GLU 98 3.079 -16.905 -11.574 733 HG2 GLU 98 2HG GLU 98 2.035 -17.529 -9.293 734 HG3 GLU 98 3HG GLU 98 0.501 -17.212 -10.100 735 H GLU 99 H GLU 99 4.862 -14.289 -11.164 736 HA GLU 99 HA GLU 99 6.520 -15.947 -9.466 737 HB2 GLU 99 2HB GLU 99 7.252 -15.581 -11.740 738 HB3 GLU 99 3HB GLU 99 7.199 -13.838 -11.519 739 HG2 GLU 99 2HG GLU 99 9.143 -13.785 -10.329 740 HG3 GLU 99 3HG GLU 99 8.947 -15.428 -9.722 741 H GLN 100 H GLN 100 5.357 -12.671 -9.568 742 HA GLN 100 HA GLN 100 7.152 -11.882 -7.395 743 HB2 GLN 100 2HB GLN 100 5.423 -10.386 -9.328 744 HB3 GLN 100 3HB GLN 100 5.885 -9.623 -7.812 745 HG2 GLN 100 2HG GLN 100 8.215 -10.752 -8.959 746 HG3 GLN 100 3HG GLN 100 7.370 -9.849 -10.215 747 HE21 GLN 100 2HE2 GLN 100 9.307 -7.958 -7.228 748 HE22 GLN 100 1HE2 GLN 100 9.216 -9.680 -7.336 749 H LEU 101 H LEU 101 3.807 -12.572 -8.090 750 HA LEU 101 HA LEU 101 2.516 -11.402 -5.946 751 HB2 LEU 101 2HB LEU 101 1.282 -12.471 -7.697 752 HB3 LEU 101 3HB LEU 101 1.997 -14.035 -7.312 753 HG LEU 101 HG LEU 101 0.802 -13.909 -5.095 754 HD11 LEU 101 1HD1 LEU 101 -0.682 -12.268 -4.593 755 HD12 LEU 101 2HD1 LEU 101 -1.076 -11.949 -6.282 756 HD13 LEU 101 3HD1 LEU 101 0.423 -11.325 -5.593 757 HD21 LEU 101 3HD2 LEU 101 -0.469 -14.218 -7.759 758 HD22 LEU 101 1HD2 LEU 101 -1.519 -14.200 -6.342 759 HD23 LEU 101 2HD2 LEU 101 -0.232 -15.399 -6.470 760 H LYS 102 H LYS 102 4.079 -14.591 -6.087 761 HA LYS 102 HA LYS 102 3.536 -15.207 -3.351 762 HB2 LYS 102 2HB LYS 102 5.299 -16.419 -5.465 763 HB3 LYS 102 3HB LYS 102 5.358 -16.989 -3.802 764 HG2 LYS 102 2HG LYS 102 3.829 -18.442 -4.633 765 HG3 LYS 102 3HG LYS 102 2.738 -17.142 -4.147 766 HD2 LYS 102 2HD LYS 102 3.283 -16.298 -6.610 767 HD3 LYS 102 3HD LYS 102 3.568 -18.022 -6.859 768 HE2 LYS 102 2HE LYS 102 1.058 -16.884 -5.639 769 HE3 LYS 102 3HE LYS 102 1.235 -17.265 -7.351 770 HZ1 LYS 102 3HZ LYS 102 1.174 -19.108 -5.049 771 HZ2 LYS 102 1HZ LYS 102 1.891 -19.577 -6.508 772 HZ3 LYS 102 2HZ LYS 102 0.255 -19.150 -6.469 773 H ALA 103 H ALA 103 6.069 -13.541 -5.042 774 HA ALA 103 HA ALA 103 8.055 -13.721 -3.014 775 HB1 ALA 103 1HB ALA 103 8.340 -13.109 -5.493 776 HB2 ALA 103 2HB ALA 103 7.892 -11.477 -4.994 777 HB3 ALA 103 3HB ALA 103 9.319 -12.250 -4.304 778 H GLN 104 H GLN 104 5.401 -11.522 -3.653 779 HA GLN 104 HA GLN 104 6.227 -9.801 -1.434 780 HB2 GLN 104 2HB GLN 104 4.613 -8.214 -2.233 781 HB3 GLN 104 3HB GLN 104 5.550 -8.780 -3.610 782 HG2 GLN 104 2HG GLN 104 3.762 -10.196 -4.328 783 HG3 GLN 104 3HG GLN 104 2.843 -9.855 -2.863 784 HE21 GLN 104 2HE2 GLN 104 3.157 -6.940 -5.726 785 HE22 GLN 104 1HE2 GLN 104 4.436 -8.077 -5.492 786 H ALA 105 H ALA 105 5.013 -12.581 -1.271 787 HA ALA 105 HA ALA 105 2.709 -11.880 0.431 788 HB1 ALA 105 1HB ALA 105 2.174 -13.253 -1.583 789 HB2 ALA 105 2HB ALA 105 3.184 -14.534 -0.914 790 HB3 ALA 105 3HB ALA 105 1.738 -14.011 -0.051 791 H GLY 106 H GLY 106 5.639 -12.044 1.064 792 HA2 GLY 106 2HA GLY 106 5.987 -12.604 3.527 793 HA3 GLY 106 3HA GLY 106 5.561 -14.237 3.035 794 H GLY 107 H GLY 107 7.681 -11.739 1.623 795 HA2 GLY 107 2HA GLY 107 9.592 -13.450 0.594 796 HA3 GLY 107 3HA GLY 107 9.913 -11.793 1.085 797 H THR 108 H THR 108 10.480 -15.071 1.732 798 HA THR 108 HA THR 108 11.846 -16.130 3.216 799 HB THR 108 HB THR 108 12.694 -13.536 4.447 800 HG1 THR 108 HG1 THR 108 14.227 -13.438 2.616 801 HG21 THR 108 3HG2 THR 108 13.520 -16.037 4.889 802 HG22 THR 108 1HG2 THR 108 14.605 -14.651 4.991 803 HG23 THR 108 2HG2 THR 108 14.573 -15.641 3.532 804 H ASN 109 H ASN 109 9.480 -16.443 4.041 805 HA ASN 109 HA ASN 109 8.034 -16.672 5.786 806 HB2 ASN 109 2HB ASN 109 10.512 -16.373 7.492 807 HB3 ASN 109 3HB ASN 109 9.022 -17.207 7.920 808 HD21 ASN 109 2HD2 ASN 109 10.059 -20.226 6.641 809 HD22 ASN 109 1HD2 ASN 109 8.999 -19.317 7.659 810 H GLU 110 H GLU 110 8.379 -14.010 4.810 811 HA GLU 110 HA GLU 110 8.613 -12.166 6.964 812 HB2 GLU 110 2HB GLU 110 8.477 -11.998 4.188 813 HB3 GLU 110 3HB GLU 110 7.007 -11.207 4.739 814 HG2 GLU 110 2HG GLU 110 8.671 -9.539 4.526 815 HG3 GLU 110 3HG GLU 110 8.420 -9.810 6.250 Start of MODEL 15 1 H1 MET 1 H MET 1 3.903 1.066 -0.076 2 HA MET 1 HA MET 1 4.847 0.975 -2.221 3 HB2 MET 1 2HB MET 1 6.218 -1.025 -2.331 4 HB3 MET 1 3HB MET 1 6.141 -0.447 -0.672 5 HG2 MET 1 2HG MET 1 4.056 -2.371 -1.257 6 HG3 MET 1 3HG MET 1 5.670 -3.019 -1.546 7 HE1 MET 1 3HE MET 1 5.943 -4.791 1.082 8 HE2 MET 1 1HE MET 1 6.857 -4.044 -0.229 9 HE3 MET 1 2HE MET 1 7.270 -3.688 1.449 10 H ILE 2 H ILE 2 2.037 0.592 -2.483 11 HA ILE 2 HA ILE 2 1.977 -1.361 -4.691 12 HB ILE 2 HB ILE 2 -0.513 -1.498 -4.242 13 HG12 ILE 2 2HG1 ILE 2 -0.219 -0.880 -1.419 14 HG13 ILE 2 3HG1 ILE 2 0.072 0.537 -2.422 15 HG21 ILE 2 1HG2 ILE 2 -0.159 -3.029 -2.229 16 HG22 ILE 2 2HG2 ILE 2 0.764 -3.382 -3.689 17 HG23 ILE 2 3HG2 ILE 2 1.540 -2.568 -2.331 18 HD11 ILE 2 3HD1 ILE 2 -2.374 -1.205 -2.591 19 HD12 ILE 2 1HD1 ILE 2 -2.270 0.308 -1.692 20 HD13 ILE 2 2HD1 ILE 2 -2.088 0.310 -3.447 21 HA PRO 3 HA PRO 3 1.128 2.895 -6.356 22 HB2 PRO 3 2HB PRO 3 2.768 2.636 -8.504 23 HB3 PRO 3 3HB PRO 3 3.333 3.198 -6.926 24 HG2 PRO 3 2HG PRO 3 3.528 0.471 -8.148 25 HG3 PRO 3 3HG PRO 3 4.751 1.381 -7.242 26 HD2 PRO 3 2HD PRO 3 3.273 -0.589 -6.118 27 HD3 PRO 3 3HD PRO 3 3.837 0.822 -5.201 28 H SER 4 H SER 4 -0.419 3.307 -7.838 29 HA SER 4 HA SER 4 -2.005 2.984 -9.437 30 HB2 SER 4 2HB SER 4 0.355 2.085 -10.574 31 HB3 SER 4 3HB SER 4 -0.755 0.738 -10.828 32 HG SER 4 HG SER 4 -0.720 2.463 -12.477 33 H PHE 5 H PHE 5 -2.080 1.484 -6.959 34 HA PHE 5 HA PHE 5 -3.142 -0.270 -5.958 35 HB2 PHE 5 2HB PHE 5 -4.842 0.733 -8.107 36 HB3 PHE 5 3HB PHE 5 -5.197 -0.941 -7.693 37 HD1 PHE 5 HD1 PHE 5 -6.283 2.201 -7.116 38 HD2 PHE 5 HD2 PHE 5 -4.999 -1.213 -4.923 39 HE1 PHE 5 HE1 PHE 5 -7.585 2.964 -5.173 40 HE2 PHE 5 HE2 PHE 5 -6.299 -0.457 -2.977 41 HZ PHE 5 HZ PHE 5 -7.595 1.634 -3.100 42 H ALA 6 H ALA 6 -1.404 -1.752 -6.211 43 HA ALA 6 HA ALA 6 -0.522 -3.784 -6.737 44 HB1 ALA 6 1HB ALA 6 -2.371 -5.125 -8.282 45 HB2 ALA 6 2HB ALA 6 -2.248 -5.179 -6.523 46 HB3 ALA 6 3HB ALA 6 -3.361 -4.050 -7.296 47 HA PRO 7 HA PRO 7 0.653 -2.181 -10.899 48 HB2 PRO 7 2HB PRO 7 3.324 -2.312 -10.431 49 HB3 PRO 7 3HB PRO 7 2.334 -0.925 -9.963 50 HG2 PRO 7 2HG PRO 7 3.294 -3.216 -8.293 51 HG3 PRO 7 3HG PRO 7 3.245 -1.487 -7.899 52 HD2 PRO 7 2HD PRO 7 1.382 -3.239 -7.007 53 HD3 PRO 7 3HD PRO 7 1.001 -1.544 -7.371 54 H GLY 8 H GLY 8 0.858 -3.519 -12.585 55 HA2 GLY 8 2HA GLY 8 2.204 -5.269 -13.661 56 HA3 GLY 8 3HA GLY 8 2.160 -6.133 -12.132 57 H THR 9 H THR 9 -0.730 -4.551 -13.101 58 HA THR 9 HA THR 9 -1.998 -7.148 -13.509 59 HB THR 9 HB THR 9 -3.516 -4.566 -13.519 60 HG1 THR 9 HG1 THR 9 -3.324 -4.349 -11.373 61 HG21 THR 9 3HG2 THR 9 -5.173 -6.006 -12.326 62 HG22 THR 9 1HG2 THR 9 -4.078 -7.369 -12.552 63 HG23 THR 9 2HG2 THR 9 -4.782 -6.562 -13.953 64 H LEU 10 H LEU 10 -2.768 -7.851 -15.413 65 HA LEU 10 HA LEU 10 -2.281 -6.196 -17.766 66 HB2 LEU 10 2HB LEU 10 -1.584 -8.674 -17.444 67 HB3 LEU 10 3HB LEU 10 -3.266 -9.021 -17.838 68 HG LEU 10 HG LEU 10 -1.382 -7.500 -19.636 69 HD11 LEU 10 1HD1 LEU 10 -0.894 -9.999 -19.118 70 HD12 LEU 10 2HD1 LEU 10 -0.904 -9.439 -20.790 71 HD13 LEU 10 3HD1 LEU 10 -2.300 -10.298 -20.139 72 HD21 LEU 10 3HD2 LEU 10 -3.234 -8.341 -21.284 73 HD22 LEU 10 1HD2 LEU 10 -3.482 -6.879 -20.329 74 HD23 LEU 10 2HD2 LEU 10 -4.219 -8.399 -19.822 75 H VAL 11 H VAL 11 -3.853 -5.138 -18.769 76 HA VAL 11 HA VAL 11 -6.615 -6.120 -18.517 77 HB VAL 11 HB VAL 11 -7.354 -3.707 -18.482 78 HG11 VAL 11 1HG1 VAL 11 -7.730 -4.315 -16.376 79 HG12 VAL 11 2HG1 VAL 11 -6.290 -5.333 -16.347 80 HG13 VAL 11 3HG1 VAL 11 -6.165 -3.616 -15.966 81 HG21 VAL 11 3HG2 VAL 11 -5.696 -2.077 -17.605 82 HG22 VAL 11 1HG2 VAL 11 -4.433 -3.279 -17.870 83 HG23 VAL 11 2HG2 VAL 11 -5.337 -2.635 -19.239 84 H TRP 12 H TRP 12 -8.003 -4.553 -20.090 85 HA TRP 12 HA TRP 12 -6.610 -4.629 -22.687 86 HB2 TRP 12 2HB TRP 12 -9.306 -5.550 -21.853 87 HB3 TRP 12 3HB TRP 12 -9.187 -4.783 -23.434 88 HD1 TRP 12 HD1 TRP 12 -6.303 -5.991 -24.226 89 HE1 TRP 12 HE1 TRP 12 -6.148 -8.477 -24.874 90 HE3 TRP 12 HE3 TRP 12 -10.595 -7.677 -22.017 91 HZ2 TRP 12 HZ2 TRP 12 -7.646 -10.840 -24.500 92 HZ3 TRP 12 HZ3 TRP 12 -11.161 -10.063 -22.209 93 HH2 TRP 12 HH2 TRP 12 -9.717 -11.611 -23.426 94 H LEU 13 H LEU 13 -6.604 -2.831 -23.906 95 HA LEU 13 HA LEU 13 -8.209 -0.548 -22.962 96 HB2 LEU 13 2HB LEU 13 -5.575 -0.595 -22.886 97 HB3 LEU 13 3HB LEU 13 -5.743 -0.165 -24.587 98 HG LEU 13 HG LEU 13 -7.399 1.549 -22.991 99 HD11 LEU 13 1HD1 LEU 13 -6.013 1.247 -21.121 100 HD12 LEU 13 2HD1 LEU 13 -5.443 2.732 -21.882 101 HD13 LEU 13 3HD1 LEU 13 -4.548 1.229 -22.103 102 HD21 LEU 13 3HD2 LEU 13 -6.097 3.281 -24.105 103 HD22 LEU 13 1HD2 LEU 13 -6.576 2.025 -25.246 104 HD23 LEU 13 2HD2 LEU 13 -4.923 2.075 -24.633 105 H LYS 14 H LYS 14 -9.812 -0.060 -24.292 106 HA LYS 14 HA LYS 14 -9.514 -0.648 -27.157 107 HB2 LYS 14 2HB LYS 14 -11.459 -1.565 -25.655 108 HB3 LYS 14 3HB LYS 14 -12.135 0.043 -25.881 109 HG2 LYS 14 2HG LYS 14 -12.230 -0.249 -28.246 110 HG3 LYS 14 3HG LYS 14 -11.324 -1.761 -28.148 111 HD2 LYS 14 2HD LYS 14 -13.513 -2.496 -28.368 112 HD3 LYS 14 3HD LYS 14 -13.269 -2.539 -26.620 113 HE2 LYS 14 2HE LYS 14 -14.271 -0.220 -26.554 114 HE3 LYS 14 3HE LYS 14 -14.728 -0.461 -28.240 115 HZ1 LYS 14 3HZ LYS 14 -15.605 -2.709 -26.942 116 HZ2 LYS 14 1HZ LYS 14 -16.559 -1.412 -27.462 117 HZ3 LYS 14 2HZ LYS 14 -15.973 -1.449 -25.876 118 H GLN 15 H GLN 15 -9.153 1.003 -28.472 119 HA GLN 15 HA GLN 15 -9.331 3.712 -27.558 120 HB2 GLN 15 2HB GLN 15 -8.017 2.322 -29.651 121 HB3 GLN 15 3HB GLN 15 -9.014 3.562 -30.400 122 HG2 GLN 15 2HG GLN 15 -7.295 4.921 -30.021 123 HG3 GLN 15 3HG GLN 15 -7.849 4.931 -28.347 124 HE21 GLN 15 2HE2 GLN 15 -4.249 3.529 -29.242 125 HE22 GLN 15 1HE2 GLN 15 -5.248 4.445 -30.313 126 H ASP 16 H ASP 16 -10.281 5.296 -29.388 127 HA ASP 16 HA ASP 16 -13.081 5.078 -29.179 128 HB2 ASP 16 2HB ASP 16 -11.199 6.898 -30.614 129 HB3 ASP 16 3HB ASP 16 -12.901 6.932 -31.065 130 H ARG 17 H ARG 17 -11.065 4.983 -32.125 131 HA ARG 17 HA ARG 17 -13.218 3.499 -33.460 132 HB2 ARG 17 2HB ARG 17 -10.841 4.984 -34.592 133 HB3 ARG 17 3HB ARG 17 -12.007 4.088 -35.557 134 HG2 ARG 17 2HG ARG 17 -13.680 5.690 -34.202 135 HG3 ARG 17 3HG ARG 17 -12.246 6.718 -34.251 136 HD2 ARG 17 2HD ARG 17 -13.105 5.362 -36.756 137 HD3 ARG 17 3HD ARG 17 -14.040 6.745 -36.190 138 HE ARG 17 HE ARG 17 -11.481 6.812 -37.420 139 HH11 ARG 17 1HH1 ARG 17 -13.432 8.374 -34.996 140 HH12 ARG 17 2HH1 ARG 17 -12.623 9.899 -35.141 141 HH21 ARG 17 2HH2 ARG 17 -10.904 10.149 -36.634 142 HH22 ARG 17 1HH2 ARG 17 -10.408 8.815 -37.620 143 H PHE 18 H PHE 18 -9.962 3.242 -32.322 144 HA PHE 18 HA PHE 18 -9.302 0.907 -33.864 145 HB2 PHE 18 2HB PHE 18 -7.951 2.675 -31.988 146 HB3 PHE 18 3HB PHE 18 -7.561 0.983 -31.698 147 HD1 PHE 18 HD1 PHE 18 -8.234 2.805 -34.872 148 HD2 PHE 18 HD2 PHE 18 -5.427 0.649 -32.508 149 HE1 PHE 18 HE1 PHE 18 -6.627 2.861 -36.735 150 HE2 PHE 18 HE2 PHE 18 -3.816 0.703 -34.367 151 HZ PHE 18 HZ PHE 18 -4.414 1.810 -36.483 152 HA PRO 19 HA PRO 19 -10.955 -2.263 -31.322 153 HB2 PRO 19 2HB PRO 19 -9.039 -4.178 -31.505 154 HB3 PRO 19 3HB PRO 19 -10.120 -3.769 -32.843 155 HG2 PRO 19 2HG PRO 19 -7.298 -2.898 -32.352 156 HG3 PRO 19 3HG PRO 19 -8.060 -3.424 -33.865 157 HD2 PRO 19 2HD PRO 19 -7.653 -0.814 -33.270 158 HD3 PRO 19 3HD PRO 19 -9.036 -1.369 -34.235 159 H TRP 20 H TRP 20 -9.957 -4.039 -29.648 160 HA TRP 20 HA TRP 20 -8.689 -2.406 -27.564 161 HB2 TRP 20 2HB TRP 20 -9.603 -4.047 -25.974 162 HB3 TRP 20 3HB TRP 20 -10.870 -3.349 -26.979 163 HD1 TRP 20 HD1 TRP 20 -9.181 -6.638 -26.158 164 HE1 TRP 20 HE1 TRP 20 -10.439 -8.551 -27.333 165 HE3 TRP 20 HE3 TRP 20 -12.268 -3.865 -29.143 166 HZ2 TRP 20 HZ2 TRP 20 -12.471 -8.846 -29.270 167 HZ3 TRP 20 HZ3 TRP 20 -13.839 -5.040 -30.629 168 HH2 TRP 20 HH2 TRP 20 -13.937 -7.479 -30.689 169 H TRP 21 H TRP 21 -6.650 -2.783 -27.013 170 HA TRP 21 HA TRP 21 -5.478 -5.400 -27.699 171 HB2 TRP 21 2HB TRP 21 -4.645 -2.744 -28.403 172 HB3 TRP 21 3HB TRP 21 -3.408 -3.494 -27.398 173 HD1 TRP 21 HD1 TRP 21 -1.650 -4.718 -28.777 174 HE1 TRP 21 HE1 TRP 21 -1.593 -5.955 -31.034 175 HE3 TRP 21 HE3 TRP 21 -6.564 -4.224 -30.099 176 HZ2 TRP 21 HZ2 TRP 21 -3.392 -6.631 -33.101 177 HZ3 TRP 21 HZ3 TRP 21 -7.315 -5.194 -32.232 178 HH2 TRP 21 HH2 TRP 21 -5.760 -6.372 -33.701 179 HA PRO 22 HA PRO 22 -4.460 -5.980 -23.466 180 HB2 PRO 22 2HB PRO 22 -2.197 -7.463 -23.693 181 HB3 PRO 22 3HB PRO 22 -3.806 -8.104 -24.048 182 HG2 PRO 22 2HG PRO 22 -1.715 -7.085 -25.932 183 HG3 PRO 22 3HG PRO 22 -2.747 -8.520 -26.076 184 HD2 PRO 22 2HD PRO 22 -3.275 -6.208 -27.383 185 HD3 PRO 22 3HD PRO 22 -4.556 -7.299 -26.816 186 H GLY 23 H GLY 23 -3.229 -5.102 -21.841 187 HA2 GLY 23 2HA GLY 23 -0.646 -3.926 -22.389 188 HA3 GLY 23 3HA GLY 23 -1.919 -2.751 -22.096 189 H PHE 24 H PHE 24 0.584 -3.794 -20.603 190 HA PHE 24 HA PHE 24 -0.563 -4.727 -18.113 191 HB2 PHE 24 2HB PHE 24 2.298 -3.885 -18.420 192 HB3 PHE 24 3HB PHE 24 1.617 -5.155 -17.409 193 HD1 PHE 24 HD1 PHE 24 3.493 -4.535 -20.259 194 HD2 PHE 24 HD2 PHE 24 0.388 -7.067 -18.820 195 HE1 PHE 24 HE1 PHE 24 4.056 -6.200 -21.981 196 HE2 PHE 24 HE2 PHE 24 0.947 -8.735 -20.540 197 HZ PHE 24 HZ PHE 24 2.784 -8.303 -22.122 198 H VAL 25 H VAL 25 -1.269 -3.439 -16.554 199 HA VAL 25 HA VAL 25 -0.972 -0.595 -16.720 200 HB VAL 25 HB VAL 25 -2.173 -2.324 -14.553 201 HG11 VAL 25 1HG1 VAL 25 -1.604 -0.317 -13.478 202 HG12 VAL 25 2HG1 VAL 25 -2.044 0.659 -14.881 203 HG13 VAL 25 3HG1 VAL 25 -3.299 -0.126 -13.921 204 HG21 VAL 25 3HG2 VAL 25 -3.944 -0.618 -16.107 205 HG22 VAL 25 1HG2 VAL 25 -3.100 -1.809 -17.097 206 HG23 VAL 25 2HG2 VAL 25 -4.076 -2.334 -15.724 207 H MET 26 H MET 26 0.754 0.490 -16.064 208 HA MET 26 HA MET 26 2.102 -0.347 -13.597 209 HB2 MET 26 2HB MET 26 3.560 0.487 -16.109 210 HB3 MET 26 3HB MET 26 4.293 0.019 -14.581 211 HG2 MET 26 2HG MET 26 2.607 -2.097 -15.350 212 HG3 MET 26 3HG MET 26 3.511 -1.614 -16.783 213 HE1 MET 26 3HE MET 26 5.783 -4.547 -15.919 214 HE2 MET 26 1HE MET 26 4.027 -4.453 -16.059 215 HE3 MET 26 2HE MET 26 5.050 -3.578 -17.198 216 H ASP 27 H ASP 27 2.855 1.303 -12.323 217 HA ASP 27 HA ASP 27 1.811 3.934 -12.911 218 HB2 ASP 27 2HB ASP 27 2.357 2.467 -10.570 219 HB3 ASP 27 3HB ASP 27 3.451 3.848 -10.541 220 HA PRO 28 HA PRO 28 5.497 5.727 -14.494 221 HB2 PRO 28 2HB PRO 28 5.113 8.312 -13.758 222 HB3 PRO 28 3HB PRO 28 4.204 7.539 -15.062 223 HG2 PRO 28 2HG PRO 28 3.399 8.022 -12.220 224 HG3 PRO 28 3HG PRO 28 2.450 8.235 -13.703 225 HD2 PRO 28 2HD PRO 28 2.185 6.067 -12.103 226 HD3 PRO 28 3HD PRO 28 1.961 5.989 -13.862 227 H ASP 29 H ASP 29 4.623 6.604 -11.165 228 HA ASP 29 HA ASP 29 7.091 5.857 -10.069 229 HB2 ASP 29 2HB ASP 29 7.490 8.133 -11.439 230 HB3 ASP 29 3HB ASP 29 6.945 8.819 -9.911 231 H GLU 30 H GLU 30 4.563 5.320 -9.311 232 HA GLU 30 HA GLU 30 3.208 5.246 -7.485 233 HB2 GLU 30 2HB GLU 30 5.265 6.943 -6.075 234 HB3 GLU 30 3HB GLU 30 4.096 5.850 -5.349 235 HG2 GLU 30 2HG GLU 30 5.637 4.270 -5.360 236 HG3 GLU 30 3HG GLU 30 5.596 4.290 -7.122 237 H VAL 31 H VAL 31 1.852 6.657 -8.872 238 HA VAL 31 HA VAL 31 1.690 9.433 -7.947 239 HB VAL 31 HB VAL 31 0.043 9.696 -9.825 240 HG11 VAL 31 1HG1 VAL 31 2.093 10.532 -10.408 241 HG12 VAL 31 2HG1 VAL 31 2.910 8.982 -10.190 242 HG13 VAL 31 3HG1 VAL 31 1.918 9.265 -11.622 243 HG21 VAL 31 3HG2 VAL 31 -0.725 7.943 -10.957 244 HG22 VAL 31 1HG2 VAL 31 0.913 7.401 -11.321 245 HG23 VAL 31 2HG2 VAL 31 0.130 6.896 -9.824 246 H ARG 32 H ARG 32 0.682 6.813 -6.631 247 HA ARG 32 HA ARG 32 -2.173 7.261 -6.491 248 HB2 ARG 32 2HB ARG 32 -1.569 4.984 -6.395 249 HB3 ARG 32 3HB ARG 32 -0.297 5.284 -5.219 250 HG2 ARG 32 2HG ARG 32 -2.208 4.161 -4.210 251 HG3 ARG 32 3HG ARG 32 -1.962 5.764 -3.514 252 HD2 ARG 32 2HD ARG 32 -3.710 6.634 -5.055 253 HD3 ARG 32 3HD ARG 32 -4.008 4.978 -5.583 254 HE ARG 32 HE ARG 32 -4.205 5.197 -2.761 255 HH11 ARG 32 1HH1 ARG 32 -5.906 5.908 -5.714 256 HH12 ARG 32 2HH1 ARG 32 -7.475 5.831 -4.982 257 HH21 ARG 32 2HH2 ARG 32 -7.677 5.368 -2.748 258 HH22 ARG 32 1HH2 ARG 32 -6.264 5.093 -1.786 259 H ASP 33 H ASP 33 0.672 7.833 -4.512 260 HA ASP 33 HA ASP 33 -1.017 9.063 -2.445 261 HB2 ASP 33 2HB ASP 33 1.344 7.445 -2.338 262 HB3 ASP 33 3HB ASP 33 1.702 9.019 -1.632 263 H ILE 34 H ILE 34 1.499 9.697 -4.776 264 HA ILE 34 HA ILE 34 1.560 12.518 -3.931 265 HB ILE 34 HB ILE 34 3.576 11.063 -5.645 266 HG12 ILE 34 2HG1 ILE 34 4.864 11.787 -3.335 267 HG13 ILE 34 3HG1 ILE 34 3.273 11.332 -2.733 268 HG21 ILE 34 1HG2 ILE 34 3.492 13.841 -4.492 269 HG22 ILE 34 2HG2 ILE 34 4.961 13.097 -5.120 270 HG23 ILE 34 3HG2 ILE 34 3.586 13.373 -6.189 271 HD11 ILE 34 3HD1 ILE 34 5.402 9.647 -3.316 272 HD12 ILE 34 1HD1 ILE 34 3.741 9.181 -2.948 273 HD13 ILE 34 2HD1 ILE 34 4.247 9.396 -4.625 274 H THR 35 H THR 35 0.191 13.697 -5.094 275 HA THR 35 HA THR 35 -0.194 13.057 -7.935 276 HB THR 35 HB THR 35 -2.116 14.804 -7.628 277 HG1 THR 35 HG1 THR 35 -1.596 15.472 -5.533 278 HG21 THR 35 3HG2 THR 35 -3.643 13.051 -7.127 279 HG22 THR 35 1HG2 THR 35 -2.413 12.138 -6.253 280 HG23 THR 35 2HG2 THR 35 -2.304 12.312 -8.005 281 H LEU 36 H LEU 36 1.299 14.111 -9.111 282 HA LEU 36 HA LEU 36 1.666 16.989 -8.597 283 HB2 LEU 36 2HB LEU 36 3.859 16.735 -9.731 284 HB3 LEU 36 3HB LEU 36 3.722 15.844 -8.216 285 HG LEU 36 HG LEU 36 3.031 13.924 -10.003 286 HD11 LEU 36 1HD1 LEU 36 5.159 14.336 -11.622 287 HD12 LEU 36 2HD1 LEU 36 4.546 15.981 -11.451 288 HD13 LEU 36 3HD1 LEU 36 3.491 14.705 -12.058 289 HD21 LEU 36 3HD2 LEU 36 5.717 14.707 -8.902 290 HD22 LEU 36 1HD2 LEU 36 5.450 13.206 -9.789 291 HD23 LEU 36 2HD2 LEU 36 4.586 13.504 -8.281 292 HA PRO 37 HA PRO 37 0.069 17.909 -12.582 293 HB2 PRO 37 2HB PRO 37 1.525 20.107 -13.231 294 HB3 PRO 37 3HB PRO 37 0.249 20.126 -12.008 295 HG2 PRO 37 2HG PRO 37 3.214 19.929 -11.648 296 HG3 PRO 37 3HG PRO 37 2.038 20.896 -10.738 297 HD2 PRO 37 2HD PRO 37 3.021 18.549 -9.812 298 HD3 PRO 37 3HD PRO 37 1.376 19.105 -9.447 299 H GLU 38 H GLU 38 0.405 17.072 -14.544 300 HA GLU 38 HA GLU 38 2.829 17.317 -15.986 301 HB2 GLU 38 2HB GLU 38 3.569 15.594 -14.395 302 HB3 GLU 38 3HB GLU 38 2.225 14.569 -14.878 303 HG2 GLU 38 2HG GLU 38 3.130 14.203 -17.013 304 HG3 GLU 38 3HG GLU 38 4.286 15.522 -16.836 305 H GLY 39 H GLY 39 0.361 14.749 -15.718 306 HA2 GLY 39 2HA GLY 39 -1.571 15.093 -17.338 307 HA3 GLY 39 3HA GLY 39 -0.307 15.258 -18.547 308 H SER 40 H SER 40 0.853 13.058 -16.435 309 HA SER 40 HA SER 40 -0.504 10.773 -17.680 310 HB2 SER 40 2HB SER 40 1.849 9.708 -17.822 311 HB3 SER 40 3HB SER 40 1.401 10.892 -19.049 312 HG SER 40 HG SER 40 3.312 11.632 -18.404 313 H ASP 41 H ASP 41 -1.425 9.839 -15.965 314 HA ASP 41 HA ASP 41 0.147 9.546 -13.499 315 HB2 ASP 41 2HB ASP 41 -2.465 10.400 -13.880 316 HB3 ASP 41 3HB ASP 41 -2.649 8.735 -13.335 317 H VAL 42 H VAL 42 -1.481 7.792 -16.030 318 HA VAL 42 HA VAL 42 -0.612 5.263 -14.787 319 HB VAL 42 HB VAL 42 -2.936 5.604 -16.685 320 HG11 VAL 42 1HG1 VAL 42 -2.077 3.241 -15.018 321 HG12 VAL 42 2HG1 VAL 42 -3.470 3.308 -16.100 322 HG13 VAL 42 3HG1 VAL 42 -1.836 3.408 -16.757 323 HG21 VAL 42 3HG2 VAL 42 -4.144 4.866 -14.448 324 HG22 VAL 42 1HG2 VAL 42 -2.761 5.684 -13.720 325 HG23 VAL 42 2HG2 VAL 42 -3.830 6.563 -14.814 326 H TRP 43 H TRP 43 0.558 3.859 -16.000 327 HA TRP 43 HA TRP 43 1.125 4.652 -18.782 328 HB2 TRP 43 2HB TRP 43 2.925 4.541 -16.649 329 HB3 TRP 43 3HB TRP 43 3.232 3.069 -17.566 330 HD1 TRP 43 HD1 TRP 43 4.105 3.365 -20.104 331 HE1 TRP 43 HE1 TRP 43 5.317 5.320 -21.260 332 HE3 TRP 43 HE3 TRP 43 3.098 7.062 -16.719 333 HZ2 TRP 43 HZ2 TRP 43 5.785 8.065 -20.798 334 HZ3 TRP 43 HZ3 TRP 43 3.965 9.324 -17.150 335 HH2 TRP 43 HH2 TRP 43 5.281 9.813 -19.148 336 H VAL 44 H VAL 44 0.136 3.245 -20.077 337 HA VAL 44 HA VAL 44 -0.088 0.441 -19.272 338 HB VAL 44 HB VAL 44 -1.366 1.901 -21.589 339 HG11 VAL 44 1HG1 VAL 44 -2.798 -0.412 -21.071 340 HG12 VAL 44 2HG1 VAL 44 -1.703 -0.136 -22.427 341 HG13 VAL 44 3HG1 VAL 44 -1.112 -0.917 -20.960 342 HG21 VAL 44 3HG2 VAL 44 -3.451 1.392 -20.150 343 HG22 VAL 44 1HG2 VAL 44 -2.298 1.210 -18.828 344 HG23 VAL 44 2HG2 VAL 44 -2.415 2.743 -19.692 345 H CYS 45 H CYS 45 1.421 -0.930 -19.926 346 HA CYS 45 HA CYS 45 2.992 -0.309 -22.317 347 HB2 CYS 45 2HB CYS 45 3.503 -2.498 -20.300 348 HB3 CYS 45 3HB CYS 45 4.626 -1.859 -21.495 349 HG CYS 45 HG CYS 45 5.715 -0.193 -19.889 350 H CYS 46 H CYS 46 1.802 -0.976 -24.041 351 HA CYS 46 HA CYS 46 0.373 -3.461 -24.055 352 HB2 CYS 46 2HB CYS 46 1.042 -1.511 -26.266 353 HB3 CYS 46 3HB CYS 46 0.021 -2.928 -26.479 354 HG CYS 46 HG CYS 46 -2.148 -1.718 -25.867 355 H LEU 47 H LEU 47 0.756 -4.943 -26.055 356 HA LEU 47 HA LEU 47 3.287 -6.164 -25.705 357 HB2 LEU 47 2HB LEU 47 2.430 -7.888 -26.875 358 HB3 LEU 47 3HB LEU 47 0.913 -7.051 -26.550 359 HG LEU 47 HG LEU 47 2.507 -6.878 -29.107 360 HD11 LEU 47 1HD1 LEU 47 0.937 -8.297 -30.092 361 HD12 LEU 47 2HD1 LEU 47 -0.193 -8.131 -28.749 362 HD13 LEU 47 3HD1 LEU 47 1.293 -9.057 -28.541 363 HD21 LEU 47 3HD2 LEU 47 0.330 -5.288 -28.005 364 HD22 LEU 47 1HD2 LEU 47 -0.043 -5.971 -29.588 365 HD23 LEU 47 2HD2 LEU 47 1.390 -4.964 -29.378 366 HA PRO 48 HA PRO 48 5.832 -4.270 -28.736 367 HB2 PRO 48 2HB PRO 48 7.237 -6.381 -29.706 368 HB3 PRO 48 3HB PRO 48 7.501 -5.711 -28.091 369 HG2 PRO 48 2HG PRO 48 5.919 -8.118 -28.908 370 HG3 PRO 48 3HG PRO 48 7.032 -7.922 -27.541 371 HD2 PRO 48 2HD PRO 48 4.342 -7.791 -27.259 372 HD3 PRO 48 3HD PRO 48 5.455 -6.848 -26.248 373 H ARG 49 H ARG 49 4.745 -3.459 -30.451 374 HA ARG 49 HA ARG 49 4.613 -5.037 -32.854 375 HB2 ARG 49 2HB ARG 49 2.257 -4.881 -33.242 376 HB3 ARG 49 3HB ARG 49 2.486 -5.599 -31.653 377 HG2 ARG 49 2HG ARG 49 0.880 -4.108 -31.110 378 HG3 ARG 49 3HG ARG 49 2.277 -3.047 -30.918 379 HD2 ARG 49 2HD ARG 49 1.795 -1.847 -32.787 380 HD3 ARG 49 3HD ARG 49 1.094 -3.231 -33.624 381 HE ARG 49 HE ARG 49 -0.530 -2.403 -31.441 382 HH11 ARG 49 1HH1 ARG 49 0.339 -1.611 -34.718 383 HH12 ARG 49 2HH1 ARG 49 -1.162 -0.818 -35.063 384 HH21 ARG 49 2HH2 ARG 49 -2.782 -0.676 -33.450 385 HH22 ARG 49 1HH2 ARG 49 -2.511 -1.362 -31.883 386 H ASP 50 H ASP 50 3.988 -2.034 -31.156 387 HA ASP 50 HA ASP 50 4.311 -0.566 -33.689 388 HB2 ASP 50 2HB ASP 50 2.394 -0.299 -31.630 389 HB3 ASP 50 3HB ASP 50 3.437 1.117 -31.527 390 H SER 51 H SER 51 6.266 -1.680 -31.534 391 HA SER 51 HA SER 51 8.363 -1.107 -30.845 392 HB2 SER 51 2HB SER 51 8.254 0.220 -33.097 393 HB3 SER 51 3HB SER 51 8.096 1.629 -32.049 394 HG SER 51 HG SER 51 10.048 0.752 -30.975 395 H LEU 52 H LEU 52 6.878 -1.068 -28.836 396 HA LEU 52 HA LEU 52 6.526 -0.223 -26.754 397 HB2 LEU 52 2HB LEU 52 8.812 1.260 -27.777 398 HB3 LEU 52 3HB LEU 52 7.881 2.176 -26.594 399 HG LEU 52 HG LEU 52 8.181 0.372 -24.965 400 HD11 LEU 52 1HD1 LEU 52 8.956 -1.101 -27.281 401 HD12 LEU 52 2HD1 LEU 52 8.696 -1.675 -25.635 402 HD13 LEU 52 3HD1 LEU 52 10.288 -1.098 -26.126 403 HD21 LEU 52 3HD2 LEU 52 9.803 2.240 -25.135 404 HD22 LEU 52 1HD2 LEU 52 10.806 1.229 -26.176 405 HD23 LEU 52 2HD2 LEU 52 10.512 0.752 -24.504 406 H THR 53 H THR 53 4.337 0.161 -27.529 407 HA THR 53 HA THR 53 3.680 2.931 -28.179 408 HB THR 53 HB THR 53 1.455 1.034 -27.875 409 HG1 THR 53 HG1 THR 53 2.007 -0.228 -29.624 410 HG21 THR 53 3HG2 THR 53 0.564 2.206 -29.628 411 HG22 THR 53 1HG2 THR 53 2.127 2.445 -30.407 412 HG23 THR 53 2HG2 THR 53 1.681 3.421 -29.008 413 H LEU 54 H LEU 54 4.650 2.525 -25.577 414 HA LEU 54 HA LEU 54 2.789 2.091 -23.578 415 HB2 LEU 54 2HB LEU 54 4.901 4.226 -23.448 416 HB3 LEU 54 3HB LEU 54 4.224 3.288 -22.118 417 HG LEU 54 HG LEU 54 5.418 1.473 -23.948 418 HD11 LEU 54 1HD1 LEU 54 7.814 2.515 -23.373 419 HD12 LEU 54 2HD1 LEU 54 6.895 4.005 -23.582 420 HD13 LEU 54 3HD1 LEU 54 6.967 2.823 -24.889 421 HD21 LEU 54 3HD2 LEU 54 5.114 1.705 -21.282 422 HD22 LEU 54 1HD2 LEU 54 6.811 2.158 -21.443 423 HD23 LEU 54 2HD2 LEU 54 6.255 0.597 -22.046 424 H SER 55 H SER 55 0.956 3.062 -23.051 425 HA SER 55 HA SER 55 0.422 5.745 -24.103 426 HB2 SER 55 2HB SER 55 -1.137 3.402 -23.948 427 HB3 SER 55 3HB SER 55 -1.852 4.538 -22.805 428 HG SER 55 HG SER 55 -1.942 6.066 -24.506 429 H ALA 56 H ALA 56 0.733 7.400 -22.783 430 HA ALA 56 HA ALA 56 0.384 6.987 -19.887 431 HB1 ALA 56 1HB ALA 56 2.667 7.680 -20.886 432 HB2 ALA 56 2HB ALA 56 1.928 9.274 -21.044 433 HB3 ALA 56 3HB ALA 56 2.067 8.520 -19.456 434 H ALA 57 H ALA 57 -1.223 8.024 -18.905 435 HA ALA 57 HA ALA 57 -2.133 10.610 -19.824 436 HB1 ALA 57 1HB ALA 57 -3.433 9.219 -21.287 437 HB2 ALA 57 2HB ALA 57 -3.952 8.209 -19.937 438 HB3 ALA 57 3HB ALA 57 -4.497 9.883 -20.047 439 H ASN 58 H ASN 58 -3.229 11.765 -18.254 440 HA ASN 58 HA ASN 58 -3.428 10.445 -15.627 441 HB2 ASN 58 2HB ASN 58 -1.717 12.057 -15.430 442 HB3 ASN 58 3HB ASN 58 -2.608 13.242 -16.381 443 HD21 ASN 58 2HD2 ASN 58 -4.396 14.541 -13.702 444 HD22 ASN 58 1HD2 ASN 58 -4.167 14.485 -15.413 445 H SER 59 H SER 59 -5.519 9.965 -15.339 446 HA SER 59 HA SER 59 -7.781 10.171 -15.180 447 HB2 SER 59 2HB SER 59 -6.871 12.003 -13.592 448 HB3 SER 59 3HB SER 59 -7.386 13.136 -14.842 449 HG SER 59 HG SER 59 -9.195 12.978 -13.732 450 H GLU 60 H GLU 60 -6.599 10.406 -17.818 451 HA GLU 60 HA GLU 60 -8.631 12.092 -19.129 452 HB2 GLU 60 2HB GLU 60 -5.787 11.962 -19.495 453 HB3 GLU 60 3HB GLU 60 -6.587 11.466 -20.979 454 HG2 GLU 60 2HG GLU 60 -7.634 13.896 -19.676 455 HG3 GLU 60 3HG GLU 60 -6.024 14.010 -20.384 456 H ASP 61 H ASP 61 -7.133 8.965 -18.924 457 HA ASP 61 HA ASP 61 -8.616 7.955 -21.222 458 HB2 ASP 61 2HB ASP 61 -6.243 7.276 -20.826 459 HB3 ASP 61 3HB ASP 61 -6.765 6.461 -19.354 460 H GLU 62 H GLU 62 -10.698 7.536 -20.857 461 HA GLU 62 HA GLU 62 -11.396 5.700 -18.715 462 HB2 GLU 62 2HB GLU 62 -12.248 8.545 -18.819 463 HB3 GLU 62 3HB GLU 62 -13.468 7.362 -18.371 464 HG2 GLU 62 2HG GLU 62 -11.043 6.863 -16.927 465 HG3 GLU 62 3HG GLU 62 -11.537 8.544 -16.729 466 H GLY 63 H GLY 63 -11.330 5.922 -21.744 467 HA2 GLY 63 2HA GLY 63 -14.010 5.916 -22.678 468 HA3 GLY 63 3HA GLY 63 -12.615 5.284 -23.540 469 H GLN 64 H GLN 64 -12.200 3.110 -23.524 470 HA GLN 64 HA GLN 64 -14.114 1.429 -22.045 471 HB2 GLN 64 2HB GLN 64 -13.289 1.367 -24.908 472 HB3 GLN 64 3HB GLN 64 -13.605 -0.167 -24.109 473 HG2 GLN 64 2HG GLN 64 -15.611 2.019 -23.878 474 HG3 GLN 64 3HG GLN 64 -15.499 1.107 -25.383 475 HE21 GLN 64 2HE2 GLN 64 -17.800 -0.362 -22.669 476 HE22 GLN 64 1HE2 GLN 64 -17.465 1.291 -23.041 477 H ILE 65 H ILE 65 -13.214 0.006 -20.715 478 HA ILE 65 HA ILE 65 -10.585 -1.108 -21.336 479 HB ILE 65 HB ILE 65 -10.035 0.777 -19.926 480 HG12 ILE 65 2HG1 ILE 65 -9.846 -1.381 -17.909 481 HG13 ILE 65 3HG1 ILE 65 -9.213 -1.768 -19.505 482 HG21 ILE 65 1HG2 ILE 65 -12.434 -0.050 -18.512 483 HG22 ILE 65 2HG2 ILE 65 -11.080 0.259 -17.426 484 HG23 ILE 65 3HG2 ILE 65 -11.620 1.514 -18.541 485 HD11 ILE 65 3HD1 ILE 65 -8.345 0.831 -18.528 486 HD12 ILE 65 1HD1 ILE 65 -7.847 -0.511 -17.498 487 HD13 ILE 65 2HD1 ILE 65 -7.410 -0.500 -19.207 488 H ARG 66 H ARG 66 -10.241 -3.152 -20.534 489 HA ARG 66 HA ARG 66 -12.417 -4.332 -18.940 490 HB2 ARG 66 2HB ARG 66 -11.287 -5.201 -21.543 491 HB3 ARG 66 3HB ARG 66 -11.631 -6.466 -20.371 492 HG2 ARG 66 2HG ARG 66 -13.910 -4.938 -20.299 493 HG3 ARG 66 3HG ARG 66 -13.445 -4.881 -22.000 494 HD2 ARG 66 2HD ARG 66 -13.357 -7.310 -22.077 495 HD3 ARG 66 3HD ARG 66 -13.752 -7.394 -20.360 496 HE ARG 66 HE ARG 66 -15.570 -6.920 -22.542 497 HH11 ARG 66 1HH1 ARG 66 -15.016 -6.546 -19.125 498 HH12 ARG 66 2HH1 ARG 66 -16.700 -6.440 -18.731 499 HH21 ARG 66 2HH2 ARG 66 -18.277 -6.576 -20.387 500 HH22 ARG 66 1HH2 ARG 66 -17.790 -6.782 -22.036 501 H TYR 67 H TYR 67 -11.835 -6.008 -17.525 502 HA TYR 67 HA TYR 67 -9.046 -5.906 -16.690 503 HB2 TYR 67 2HB TYR 67 -11.405 -7.250 -15.355 504 HB3 TYR 67 3HB TYR 67 -9.812 -7.000 -14.650 505 HD1 TYR 67 HD1 TYR 67 -9.022 -4.479 -14.580 506 HD2 TYR 67 HD2 TYR 67 -13.078 -5.733 -14.865 507 HE1 TYR 67 HE1 TYR 67 -9.751 -2.303 -13.694 508 HE2 TYR 67 HE2 TYR 67 -13.818 -3.561 -13.981 509 HH TYR 67 HH TYR 67 -11.646 -0.896 -13.596 510 H PHE 68 H PHE 68 -7.651 -7.359 -17.408 511 HA PHE 68 HA PHE 68 -8.646 -9.974 -18.299 512 HB2 PHE 68 2HB PHE 68 -7.303 -8.476 -19.864 513 HB3 PHE 68 3HB PHE 68 -5.913 -8.817 -18.840 514 HD1 PHE 68 HD1 PHE 68 -8.521 -10.465 -20.904 515 HD2 PHE 68 HD2 PHE 68 -4.634 -10.725 -19.190 516 HE1 PHE 68 HE1 PHE 68 -8.105 -12.533 -22.170 517 HE2 PHE 68 HE2 PHE 68 -4.211 -12.792 -20.454 518 HZ PHE 68 HZ PHE 68 -5.947 -13.699 -21.947 519 H LEU 69 H LEU 69 -7.789 -11.880 -17.533 520 HA LEU 69 HA LEU 69 -5.509 -12.158 -15.944 521 HB2 LEU 69 2HB LEU 69 -7.798 -11.124 -14.555 522 HB3 LEU 69 3HB LEU 69 -7.388 -12.720 -13.930 523 HG LEU 69 HG LEU 69 -5.112 -10.880 -14.206 524 HD11 LEU 69 1HD1 LEU 69 -5.649 -9.374 -12.539 525 HD12 LEU 69 2HD1 LEU 69 -6.963 -10.371 -11.916 526 HD13 LEU 69 3HD1 LEU 69 -7.165 -9.496 -13.433 527 HD21 LEU 69 3HD2 LEU 69 -4.534 -12.786 -13.088 528 HD22 LEU 69 1HD2 LEU 69 -6.122 -12.964 -12.341 529 HD23 LEU 69 2HD2 LEU 69 -4.986 -11.764 -11.723 530 HA PRO 70 HA PRO 70 -8.189 -16.148 -15.511 531 HB2 PRO 70 2HB PRO 70 -10.755 -16.039 -16.390 532 HB3 PRO 70 3HB PRO 70 -10.290 -15.636 -14.733 533 HG2 PRO 70 2HG PRO 70 -10.842 -13.813 -17.042 534 HG3 PRO 70 3HG PRO 70 -11.348 -13.659 -15.350 535 HD2 PRO 70 2HD PRO 70 -9.251 -12.285 -16.375 536 HD3 PRO 70 3HD PRO 70 -9.304 -12.825 -14.684 537 H ASP 71 H ASP 71 -8.027 -14.099 -18.196 538 HA ASP 71 HA ASP 71 -7.982 -14.418 -20.461 539 HB2 ASP 71 2HB ASP 71 -6.534 -16.212 -21.183 540 HB3 ASP 71 3HB ASP 71 -5.900 -15.545 -19.682 541 H ARG 72 H ARG 72 -10.451 -15.194 -19.210 542 HA ARG 72 HA ARG 72 -11.356 -17.166 -21.192 543 HB2 ARG 72 2HB ARG 72 -12.684 -18.328 -19.622 544 HB3 ARG 72 3HB ARG 72 -11.116 -18.130 -18.849 545 HG2 ARG 72 2HG ARG 72 -12.175 -16.017 -17.793 546 HG3 ARG 72 3HG ARG 72 -13.706 -16.773 -18.241 547 HD2 ARG 72 2HD ARG 72 -11.553 -17.963 -16.495 548 HD3 ARG 72 3HD ARG 72 -13.118 -17.351 -15.960 549 HE ARG 72 HE ARG 72 -13.582 -19.325 -17.874 550 HH11 ARG 72 1HH1 ARG 72 -12.254 -19.033 -14.669 551 HH12 ARG 72 2HH1 ARG 72 -12.694 -20.641 -14.199 552 HH21 ARG 72 2HH2 ARG 72 -13.780 -22.013 -15.678 553 HH22 ARG 72 1HH2 ARG 72 -14.166 -21.445 -17.267 554 H ASP 73 H ASP 73 -11.430 -14.194 -21.000 555 HA ASP 73 HA ASP 73 -14.293 -13.673 -20.724 556 HB2 ASP 73 2HB ASP 73 -12.575 -12.136 -19.705 557 HB3 ASP 73 3HB ASP 73 -12.096 -11.692 -21.341 558 H GLU 74 H GLU 74 -13.364 -15.307 -22.904 559 HA GLU 74 HA GLU 74 -13.680 -15.582 -25.140 560 HB2 GLU 74 2HB GLU 74 -15.374 -13.088 -24.925 561 HB3 GLU 74 3HB GLU 74 -15.438 -14.291 -26.205 562 HG2 GLU 74 2HG GLU 74 -17.186 -15.027 -24.991 563 HG3 GLU 74 3HG GLU 74 -15.911 -15.887 -24.129 564 H GLY 75 H GLY 75 -11.328 -14.314 -24.447 565 HA2 GLY 75 2HA GLY 75 -10.886 -12.685 -26.843 566 HA3 GLY 75 3HA GLY 75 -10.427 -12.004 -25.289 567 H MET 76 H MET 76 -9.517 -14.474 -24.133 568 HA MET 76 HA MET 76 -6.836 -14.418 -24.758 569 HB2 MET 76 2HB MET 76 -7.543 -15.470 -22.736 570 HB3 MET 76 3HB MET 76 -8.521 -16.642 -23.610 571 HG2 MET 76 2HG MET 76 -6.486 -17.650 -22.752 572 HG3 MET 76 3HG MET 76 -6.516 -17.669 -24.514 573 HE1 MET 76 3HE MET 76 -4.450 -17.337 -21.622 574 HE2 MET 76 1HE MET 76 -3.727 -18.189 -22.986 575 HE3 MET 76 2HE MET 76 -2.950 -16.746 -22.337 576 H MET 77 H MET 77 -9.414 -16.121 -26.362 577 HA MET 77 HA MET 77 -7.884 -18.004 -27.786 578 HB2 MET 77 2HB MET 77 -9.821 -18.129 -29.310 579 HB3 MET 77 3HB MET 77 -10.300 -18.200 -27.619 580 HG2 MET 77 2HG MET 77 -10.868 -15.798 -27.722 581 HG3 MET 77 3HG MET 77 -10.488 -15.815 -29.442 582 HE1 MET 77 3HE MET 77 -14.264 -16.657 -27.377 583 HE2 MET 77 1HE MET 77 -12.801 -15.783 -26.923 584 HE3 MET 77 2HE MET 77 -13.854 -15.143 -28.185 585 H GLU 78 H GLU 78 -8.827 -14.678 -28.531 586 HA GLU 78 HA GLU 78 -7.397 -14.771 -31.065 587 HB2 GLU 78 2HB GLU 78 -9.644 -13.590 -30.684 588 HB3 GLU 78 3HB GLU 78 -8.714 -12.348 -29.858 589 HG2 GLU 78 2HG GLU 78 -7.392 -12.757 -32.276 590 HG3 GLU 78 3HG GLU 78 -9.109 -12.777 -32.674 591 H GLU 79 H GLU 79 -6.826 -13.921 -27.820 592 HA GLU 79 HA GLU 79 -4.509 -12.269 -28.568 593 HB2 GLU 79 2HB GLU 79 -6.478 -12.002 -26.526 594 HB3 GLU 79 3HB GLU 79 -4.927 -12.281 -25.748 595 HG2 GLU 79 2HG GLU 79 -4.805 -10.037 -25.917 596 HG3 GLU 79 3HG GLU 79 -4.161 -10.441 -27.507 597 H GLY 80 H GLY 80 -4.839 -15.296 -28.492 598 HA2 GLY 80 2HA GLY 80 -2.247 -15.839 -27.384 599 HA3 GLY 80 3HA GLY 80 -3.545 -16.536 -26.427 600 H LYS 81 H LYS 81 -5.312 -17.250 -28.468 601 HA LYS 81 HA LYS 81 -3.852 -19.513 -29.617 602 HB2 LYS 81 2HB LYS 81 -6.841 -19.097 -29.489 603 HB3 LYS 81 3HB LYS 81 -5.992 -20.591 -29.865 604 HG2 LYS 81 2HG LYS 81 -5.118 -19.634 -27.322 605 HG3 LYS 81 3HG LYS 81 -6.882 -19.679 -27.358 606 HD2 LYS 81 2HD LYS 81 -6.954 -21.942 -27.536 607 HD3 LYS 81 3HD LYS 81 -5.468 -22.022 -28.486 608 HE2 LYS 81 2HE LYS 81 -4.694 -22.918 -26.544 609 HE3 LYS 81 3HE LYS 81 -4.412 -21.215 -26.187 610 HZ1 LYS 81 3HZ LYS 81 -6.908 -22.611 -25.418 611 HZ2 LYS 81 1HZ LYS 81 -6.337 -21.118 -24.865 612 HZ3 LYS 81 2HZ LYS 81 -5.554 -22.545 -24.406 613 H LEU 82 H LEU 82 -4.018 -16.648 -30.659 614 HA LEU 82 HA LEU 82 -4.721 -17.393 -33.413 615 HB2 LEU 82 2HB LEU 82 -6.542 -16.051 -32.583 616 HB3 LEU 82 3HB LEU 82 -5.418 -14.823 -32.004 617 HG LEU 82 HG LEU 82 -5.145 -15.285 -34.856 618 HD11 LEU 82 1HD1 LEU 82 -7.853 -14.858 -33.723 619 HD12 LEU 82 2HD1 LEU 82 -7.357 -15.688 -35.198 620 HD13 LEU 82 3HD1 LEU 82 -7.399 -13.925 -35.149 621 HD21 LEU 82 3HD2 LEU 82 -4.643 -13.284 -33.073 622 HD22 LEU 82 1HD2 LEU 82 -6.102 -12.700 -33.874 623 HD23 LEU 82 2HD2 LEU 82 -4.672 -13.096 -34.827 624 H ASP 83 H ASP 83 -3.044 -15.033 -31.355 625 HA ASP 83 HA ASP 83 -1.012 -14.765 -33.473 626 HB2 ASP 83 2HB ASP 83 -2.168 -12.764 -31.566 627 HB3 ASP 83 3HB ASP 83 -0.521 -12.550 -32.156 628 H ALA 84 H ALA 84 1.187 -14.567 -32.810 629 HA ALA 84 HA ALA 84 1.789 -16.187 -30.487 630 HB1 ALA 84 1HB ALA 84 2.916 -16.198 -32.861 631 HB2 ALA 84 2HB ALA 84 3.923 -14.938 -32.146 632 HB3 ALA 84 3HB ALA 84 3.856 -16.539 -31.408 633 H SER 85 H SER 85 2.118 -12.845 -31.511 634 HA SER 85 HA SER 85 3.842 -11.994 -29.440 635 HB2 SER 85 2HB SER 85 2.727 -9.698 -30.007 636 HB3 SER 85 3HB SER 85 3.731 -10.494 -31.219 637 HG SER 85 HG SER 85 1.595 -9.689 -31.914 638 H CYS 86 H CYS 86 0.337 -12.224 -29.705 639 HA CYS 86 HA CYS 86 -0.238 -10.859 -27.280 640 HB2 CYS 86 2HB CYS 86 -1.939 -12.896 -28.732 641 HB3 CYS 86 3HB CYS 86 -2.497 -11.724 -27.544 642 HG CYS 86 HG CYS 86 -2.339 -9.540 -29.103 643 H ALA 87 H ALA 87 -0.051 -14.306 -28.128 644 HA ALA 87 HA ALA 87 -0.682 -15.328 -25.596 645 HB1 ALA 87 1HB ALA 87 -0.728 -17.092 -26.964 646 HB2 ALA 87 2HB ALA 87 0.414 -16.361 -28.092 647 HB3 ALA 87 3HB ALA 87 1.006 -17.208 -26.662 648 H VAL 88 H VAL 88 2.420 -14.414 -27.029 649 HA VAL 88 HA VAL 88 4.028 -15.338 -24.883 650 HB VAL 88 HB VAL 88 4.575 -13.277 -27.019 651 HG11 VAL 88 1HG1 VAL 88 6.994 -13.700 -26.362 652 HG12 VAL 88 2HG1 VAL 88 6.039 -12.699 -25.267 653 HG13 VAL 88 3HG1 VAL 88 6.357 -14.388 -24.869 654 HG21 VAL 88 3HG2 VAL 88 4.226 -15.811 -27.507 655 HG22 VAL 88 1HG2 VAL 88 5.585 -14.958 -28.239 656 HG23 VAL 88 2HG2 VAL 88 5.842 -15.977 -26.823 657 H ALA 89 H ALA 89 2.642 -12.176 -25.682 658 HA ALA 89 HA ALA 89 3.840 -10.692 -23.635 659 HB1 ALA 89 1HB ALA 89 1.880 -9.149 -23.932 660 HB2 ALA 89 2HB ALA 89 2.764 -9.535 -25.409 661 HB3 ALA 89 3HB ALA 89 1.222 -10.322 -25.074 662 H ILE 90 H ILE 90 0.764 -12.463 -23.694 663 HA ILE 90 HA ILE 90 -0.035 -11.746 -21.076 664 HB ILE 90 HB ILE 90 -0.825 -14.144 -22.733 665 HG12 ILE 90 2HG1 ILE 90 -2.328 -11.563 -22.274 666 HG13 ILE 90 3HG1 ILE 90 -1.306 -11.852 -23.678 667 HG21 ILE 90 1HG2 ILE 90 -1.901 -13.043 -20.154 668 HG22 ILE 90 2HG2 ILE 90 -2.869 -14.061 -21.219 669 HG23 ILE 90 3HG2 ILE 90 -1.379 -14.688 -20.515 670 HD11 ILE 90 3HD1 ILE 90 -2.806 -13.966 -23.964 671 HD12 ILE 90 1HD1 ILE 90 -3.933 -13.050 -22.965 672 HD13 ILE 90 2HD1 ILE 90 -3.373 -12.384 -24.499 673 H GLU 91 H GLU 91 1.560 -14.651 -22.367 674 HA GLU 91 HA GLU 91 1.730 -16.098 -19.994 675 HB2 GLU 91 2HB GLU 91 3.147 -16.109 -22.590 676 HB3 GLU 91 3HB GLU 91 4.001 -16.863 -21.251 677 HG2 GLU 91 2HG GLU 91 2.475 -18.550 -21.039 678 HG3 GLU 91 3HG GLU 91 1.158 -17.592 -21.713 679 H GLU 92 H GLU 92 3.795 -13.547 -21.264 680 HA GLU 92 HA GLU 92 5.839 -13.839 -19.296 681 HB2 GLU 92 2HB GLU 92 6.287 -12.781 -21.455 682 HB3 GLU 92 3HB GLU 92 5.152 -11.493 -21.075 683 HG2 GLU 92 2HG GLU 92 6.596 -10.434 -19.698 684 HG3 GLU 92 3HG GLU 92 7.347 -11.931 -19.150 685 H ALA 93 H ALA 93 3.067 -11.657 -19.667 686 HA ALA 93 HA ALA 93 3.509 -10.027 -17.455 687 HB1 ALA 93 1HB ALA 93 1.526 -10.298 -19.371 688 HB2 ALA 93 2HB ALA 93 0.693 -10.585 -17.843 689 HB3 ALA 93 3HB ALA 93 1.593 -9.088 -18.089 690 H ILE 94 H ILE 94 1.744 -13.100 -17.676 691 HA ILE 94 HA ILE 94 1.043 -13.131 -14.903 692 HB ILE 94 HB ILE 94 0.291 -15.420 -15.295 693 HG12 ILE 94 2HG1 ILE 94 1.550 -15.068 -18.024 694 HG13 ILE 94 3HG1 ILE 94 2.077 -16.183 -16.768 695 HG21 ILE 94 1HG2 ILE 94 -0.678 -14.175 -17.770 696 HG22 ILE 94 2HG2 ILE 94 -1.569 -14.744 -16.359 697 HG23 ILE 94 3HG2 ILE 94 -0.793 -13.161 -16.332 698 HD11 ILE 94 3HD1 ILE 94 0.851 -17.679 -17.872 699 HD12 ILE 94 1HD1 ILE 94 -0.529 -16.901 -17.096 700 HD13 ILE 94 2HD1 ILE 94 -0.061 -16.440 -18.733 701 H GLN 95 H GLN 95 3.666 -14.429 -16.836 702 HA GLN 95 HA GLN 95 4.718 -16.206 -14.915 703 HB2 GLN 95 2HB GLN 95 5.340 -16.310 -17.280 704 HB3 GLN 95 3HB GLN 95 6.122 -14.739 -17.155 705 HG2 GLN 95 2HG GLN 95 7.799 -15.615 -15.697 706 HG3 GLN 95 3HG GLN 95 6.957 -17.159 -15.578 707 HE21 GLN 95 2HE2 GLN 95 9.711 -16.676 -18.348 708 HE22 GLN 95 1HE2 GLN 95 9.519 -15.712 -16.928 709 H LEU 96 H LEU 96 5.041 -12.765 -15.391 710 HA LEU 96 HA LEU 96 7.205 -12.544 -13.469 711 HB2 LEU 96 2HB LEU 96 5.642 -10.462 -14.987 712 HB3 LEU 96 3HB LEU 96 6.981 -10.106 -13.897 713 HG LEU 96 HG LEU 96 7.412 -11.937 -16.220 714 HD11 LEU 96 1HD1 LEU 96 7.791 -8.984 -16.496 715 HD12 LEU 96 2HD1 LEU 96 6.244 -9.731 -16.891 716 HD13 LEU 96 3HD1 LEU 96 7.704 -10.223 -17.748 717 HD21 LEU 96 3HD2 LEU 96 9.151 -11.678 -14.509 718 HD22 LEU 96 1HD2 LEU 96 9.171 -9.939 -14.803 719 HD23 LEU 96 2HD2 LEU 96 9.671 -11.053 -16.075 720 H TYR 97 H TYR 97 3.775 -11.710 -13.712 721 HA TYR 97 HA TYR 97 3.515 -10.366 -11.274 722 HB2 TYR 97 2HB TYR 97 1.749 -10.269 -12.912 723 HB3 TYR 97 3HB TYR 97 1.512 -12.011 -12.830 724 HD1 TYR 97 HD1 TYR 97 -0.015 -12.931 -11.310 725 HD2 TYR 97 HD2 TYR 97 1.244 -8.897 -10.817 726 HE1 TYR 97 HE1 TYR 97 -1.715 -12.621 -9.559 727 HE2 TYR 97 HE2 TYR 97 -0.451 -8.576 -9.065 728 HH TYR 97 HH TYR 97 -2.587 -11.234 -8.065 729 H GLU 98 H GLU 98 3.211 -13.808 -12.052 730 HA GLU 98 HA GLU 98 2.648 -14.506 -9.304 731 HB2 GLU 98 2HB GLU 98 3.111 -16.164 -11.784 732 HB3 GLU 98 3HB GLU 98 2.810 -16.864 -10.200 733 HG2 GLU 98 2HG GLU 98 0.765 -15.018 -10.549 734 HG3 GLU 98 3HG GLU 98 0.953 -15.789 -12.123 735 H GLU 99 H GLU 99 5.369 -13.541 -10.779 736 HA GLU 99 HA GLU 99 7.110 -15.424 -9.340 737 HB2 GLU 99 2HB GLU 99 7.684 -15.323 -11.658 738 HB3 GLU 99 3HB GLU 99 7.648 -13.566 -11.655 739 HG2 GLU 99 2HG GLU 99 9.686 -13.384 -10.623 740 HG3 GLU 99 3HG GLU 99 9.567 -14.972 -9.868 741 H GLN 100 H GLN 100 6.020 -12.159 -9.465 742 HA GLN 100 HA GLN 100 8.097 -11.326 -7.561 743 HB2 GLN 100 2HB GLN 100 6.240 -9.741 -9.332 744 HB3 GLN 100 3HB GLN 100 7.206 -9.003 -8.061 745 HG2 GLN 100 2HG GLN 100 8.479 -10.679 -10.187 746 HG3 GLN 100 3HG GLN 100 8.100 -8.980 -10.465 747 HE21 GLN 100 2HE2 GLN 100 11.576 -9.633 -9.036 748 HE22 GLN 100 1HE2 GLN 100 10.666 -10.498 -10.221 749 H LEU 101 H LEU 101 4.664 -11.771 -7.978 750 HA LEU 101 HA LEU 101 3.918 -10.440 -5.550 751 HB2 LEU 101 2HB LEU 101 2.407 -10.681 -7.491 752 HB3 LEU 101 3HB LEU 101 2.362 -12.420 -7.207 753 HG LEU 101 HG LEU 101 0.381 -11.016 -6.402 754 HD11 LEU 101 1HD1 LEU 101 1.497 -13.370 -5.512 755 HD12 LEU 101 2HD1 LEU 101 -0.109 -12.764 -5.110 756 HD13 LEU 101 3HD1 LEU 101 1.248 -12.451 -4.028 757 HD21 LEU 101 3HD2 LEU 101 2.001 -10.509 -3.955 758 HD22 LEU 101 1HD2 LEU 101 0.557 -9.686 -4.545 759 HD23 LEU 101 2HD2 LEU 101 2.119 -9.378 -5.304 760 H LYS 102 H LYS 102 4.796 -13.685 -6.475 761 HA LYS 102 HA LYS 102 3.824 -14.965 -4.117 762 HB2 LYS 102 2HB LYS 102 4.714 -15.848 -6.541 763 HB3 LYS 102 3HB LYS 102 6.091 -16.224 -5.513 764 HG2 LYS 102 2HG LYS 102 4.967 -18.143 -5.191 765 HG3 LYS 102 3HG LYS 102 4.106 -17.186 -3.983 766 HD2 LYS 102 2HD LYS 102 2.366 -18.133 -5.175 767 HD3 LYS 102 3HD LYS 102 2.546 -16.570 -5.975 768 HE2 LYS 102 2HE LYS 102 3.128 -17.521 -7.910 769 HE3 LYS 102 3HE LYS 102 4.263 -18.616 -7.123 770 HZ1 LYS 102 3HZ LYS 102 2.053 -19.787 -6.395 771 HZ2 LYS 102 1HZ LYS 102 2.739 -20.091 -7.912 772 HZ3 LYS 102 2HZ LYS 102 1.436 -19.022 -7.772 773 H ALA 103 H ALA 103 6.915 -13.589 -5.103 774 HA ALA 103 HA ALA 103 8.461 -14.523 -2.947 775 HB1 ALA 103 1HB ALA 103 9.188 -13.381 -5.153 776 HB2 ALA 103 2HB ALA 103 8.985 -11.880 -4.248 777 HB3 ALA 103 3HB ALA 103 10.131 -13.099 -3.689 778 H GLN 104 H GLN 104 6.219 -11.872 -3.242 779 HA GLN 104 HA GLN 104 6.982 -10.875 -0.590 780 HB2 GLN 104 2HB GLN 104 5.018 -9.594 -2.482 781 HB3 GLN 104 3HB GLN 104 5.849 -8.856 -1.119 782 HG2 GLN 104 2HG GLN 104 7.953 -8.963 -2.288 783 HG3 GLN 104 3HG GLN 104 7.199 -9.828 -3.626 784 HE21 GLN 104 2HE2 GLN 104 6.896 -6.776 -5.237 785 HE22 GLN 104 1HE2 GLN 104 7.574 -8.365 -5.209 786 H ALA 105 H ALA 105 5.348 -13.336 -1.301 787 HA ALA 105 HA ALA 105 2.906 -12.638 0.195 788 HB1 ALA 105 1HB ALA 105 1.907 -14.663 -0.819 789 HB2 ALA 105 2HB ALA 105 2.380 -13.451 -2.011 790 HB3 ALA 105 3HB ALA 105 3.381 -14.881 -1.763 791 H GLY 106 H GLY 106 5.635 -13.364 1.213 792 HA2 GLY 106 2HA GLY 106 6.052 -14.353 3.330 793 HA3 GLY 106 3HA GLY 106 4.714 -15.457 3.048 794 H GLY 107 H GLY 107 5.758 -15.976 0.273 795 HA2 GLY 107 2HA GLY 107 7.780 -17.013 -0.608 796 HA3 GLY 107 3HA GLY 107 8.094 -17.625 1.009 797 H THR 108 H THR 108 5.475 -17.733 -1.411 798 HA THR 108 HA THR 108 4.258 -19.470 -2.243 799 HB THR 108 HB THR 108 6.091 -21.487 -1.002 800 HG1 THR 108 HG1 THR 108 7.723 -20.933 -2.284 801 HG21 THR 108 3HG2 THR 108 4.889 -21.314 -3.764 802 HG22 THR 108 1HG2 THR 108 4.119 -22.131 -2.404 803 HG23 THR 108 2HG2 THR 108 5.667 -22.711 -3.020 804 H ASN 109 H ASN 109 2.968 -18.541 -0.281 805 HA ASN 109 HA ASN 109 1.553 -18.899 1.467 806 HB2 ASN 109 2HB ASN 109 1.717 -21.803 0.643 807 HB3 ASN 109 3HB ASN 109 0.393 -21.010 1.490 808 HD21 ASN 109 2HD2 ASN 109 0.518 -21.067 -2.499 809 HD22 ASN 109 1HD2 ASN 109 1.615 -21.938 -1.487 810 H GLU 110 H GLU 110 4.329 -18.900 2.104 811 HA GLU 110 HA GLU 110 4.338 -20.728 4.415 812 HB2 GLU 110 2HB GLU 110 6.075 -21.023 2.459 813 HB3 GLU 110 3HB GLU 110 6.885 -19.680 3.253 814 HG2 GLU 110 2HG GLU 110 6.330 -21.385 5.335 815 HG3 GLU 110 3HG GLU 110 6.730 -22.479 4.011 Start of MODEL 16 1 H1 MET 1 H MET 1 1.749 0.813 1.143 2 HA MET 1 HA MET 1 2.635 1.507 -1.216 3 HB2 MET 1 2HB MET 1 3.764 -0.016 0.555 4 HB3 MET 1 3HB MET 1 3.205 -1.343 -0.455 5 HG2 MET 1 2HG MET 1 5.202 -1.086 -1.436 6 HG3 MET 1 3HG MET 1 4.374 0.193 -2.320 7 HE1 MET 1 3HE MET 1 7.394 -0.682 -1.243 8 HE2 MET 1 1HE MET 1 8.206 0.650 -0.421 9 HE3 MET 1 2HE MET 1 7.221 -0.485 0.502 10 H ILE 2 H ILE 2 0.192 1.306 -2.088 11 HA ILE 2 HA ILE 2 0.296 -0.852 -4.081 12 HB ILE 2 HB ILE 2 -2.233 -0.929 -3.963 13 HG12 ILE 2 2HG1 ILE 2 -2.260 -0.140 -1.153 14 HG13 ILE 2 3HG1 ILE 2 -1.886 1.205 -2.225 15 HG21 ILE 2 1HG2 ILE 2 -0.739 -2.682 -3.067 16 HG22 ILE 2 2HG2 ILE 2 -0.758 -1.864 -1.506 17 HG23 ILE 2 3HG2 ILE 2 -2.248 -2.539 -2.165 18 HD11 ILE 2 3HD1 ILE 2 -4.179 1.305 -2.062 19 HD12 ILE 2 1HD1 ILE 2 -3.949 0.396 -3.555 20 HD13 ILE 2 2HD1 ILE 2 -4.362 -0.449 -2.062 21 HA PRO 3 HA PRO 3 -0.230 3.333 -6.038 22 HB2 PRO 3 2HB PRO 3 1.684 2.950 -7.925 23 HB3 PRO 3 3HB PRO 3 2.038 3.580 -6.312 24 HG2 PRO 3 2HG PRO 3 2.346 0.796 -7.369 25 HG3 PRO 3 3HG PRO 3 3.450 1.733 -6.346 26 HD2 PRO 3 2HD PRO 3 1.795 -0.163 -5.348 27 HD3 PRO 3 3HD PRO 3 2.255 1.283 -4.427 28 H SER 4 H SER 4 -1.475 3.726 -7.803 29 HA SER 4 HA SER 4 -2.877 3.327 -9.550 30 HB2 SER 4 2HB SER 4 -0.374 2.368 -10.312 31 HB3 SER 4 3HB SER 4 -1.482 1.060 -10.725 32 HG SER 4 HG SER 4 -1.295 3.633 -11.761 33 H PHE 5 H PHE 5 -3.278 1.891 -7.063 34 HA PHE 5 HA PHE 5 -4.462 0.157 -6.167 35 HB2 PHE 5 2HB PHE 5 -6.050 1.423 -7.880 36 HB3 PHE 5 3HB PHE 5 -5.996 -0.129 -8.709 37 HD1 PHE 5 HD1 PHE 5 -6.398 1.116 -5.211 38 HD2 PHE 5 HD2 PHE 5 -7.713 -1.564 -8.244 39 HE1 PHE 5 HE1 PHE 5 -8.129 0.250 -3.691 40 HE2 PHE 5 HE2 PHE 5 -9.446 -2.434 -6.730 41 HZ PHE 5 HZ PHE 5 -9.656 -1.526 -4.450 42 H ALA 6 H ALA 6 -2.749 -1.350 -6.118 43 HA ALA 6 HA ALA 6 -1.811 -3.396 -6.466 44 HB1 ALA 6 1HB ALA 6 -3.562 -4.774 -6.507 45 HB2 ALA 6 2HB ALA 6 -4.527 -3.653 -7.469 46 HB3 ALA 6 3HB ALA 6 -3.400 -4.753 -8.263 47 HA PRO 7 HA PRO 7 0.029 -1.869 -10.409 48 HB2 PRO 7 2HB PRO 7 2.590 -2.019 -9.521 49 HB3 PRO 7 3HB PRO 7 1.554 -0.616 -9.234 50 HG2 PRO 7 2HG PRO 7 2.210 -2.891 -7.403 51 HG3 PRO 7 3HG PRO 7 2.119 -1.157 -7.044 52 HD2 PRO 7 2HD PRO 7 0.118 -2.877 -6.438 53 HD3 PRO 7 3HD PRO 7 -0.180 -1.184 -6.880 54 H GLY 8 H GLY 8 0.378 -3.276 -12.007 55 HA2 GLY 8 2HA GLY 8 1.837 -5.036 -12.889 56 HA3 GLY 8 3HA GLY 8 1.662 -5.852 -11.342 57 H THR 9 H THR 9 -1.136 -4.353 -12.670 58 HA THR 9 HA THR 9 -2.285 -7.003 -13.162 59 HB THR 9 HB THR 9 -3.839 -4.426 -13.116 60 HG1 THR 9 HG1 THR 9 -2.524 -4.778 -11.149 61 HG21 THR 9 3HG2 THR 9 -4.558 -7.293 -12.494 62 HG22 THR 9 1HG2 THR 9 -5.001 -6.399 -13.948 63 HG23 THR 9 2HG2 THR 9 -5.656 -5.917 -12.384 64 H LEU 10 H LEU 10 -2.881 -7.679 -15.135 65 HA LEU 10 HA LEU 10 -2.342 -5.912 -17.396 66 HB2 LEU 10 2HB LEU 10 -1.503 -8.354 -17.102 67 HB3 LEU 10 3HB LEU 10 -3.126 -8.790 -17.634 68 HG LEU 10 HG LEU 10 -1.234 -7.071 -19.234 69 HD11 LEU 10 1HD1 LEU 10 -0.179 -8.889 -19.933 70 HD12 LEU 10 2HD1 LEU 10 -1.709 -9.651 -20.368 71 HD13 LEU 10 3HD1 LEU 10 -1.065 -9.835 -18.737 72 HD21 LEU 10 3HD2 LEU 10 -3.265 -6.597 -20.144 73 HD22 LEU 10 1HD2 LEU 10 -3.984 -8.118 -19.615 74 HD23 LEU 10 2HD2 LEU 10 -2.916 -8.088 -21.019 75 H VAL 11 H VAL 11 -3.892 -5.020 -18.596 76 HA VAL 11 HA VAL 11 -6.606 -6.146 -18.481 77 HB VAL 11 HB VAL 11 -7.600 -3.947 -18.325 78 HG11 VAL 11 1HG1 VAL 11 -7.062 -3.416 -16.045 79 HG12 VAL 11 2HG1 VAL 11 -6.987 -5.168 -16.247 80 HG13 VAL 11 3HG1 VAL 11 -5.500 -4.222 -16.180 81 HG21 VAL 11 3HG2 VAL 11 -4.755 -3.008 -18.465 82 HG22 VAL 11 1HG2 VAL 11 -6.140 -2.502 -19.432 83 HG23 VAL 11 2HG2 VAL 11 -6.015 -2.007 -17.744 84 H TRP 12 H TRP 12 -7.967 -4.609 -20.147 85 HA TRP 12 HA TRP 12 -6.422 -4.668 -22.657 86 HB2 TRP 12 2HB TRP 12 -9.133 -5.674 -21.976 87 HB3 TRP 12 3HB TRP 12 -8.937 -4.928 -23.560 88 HD1 TRP 12 HD1 TRP 12 -5.999 -6.039 -24.198 89 HE1 TRP 12 HE1 TRP 12 -5.708 -8.532 -24.769 90 HE3 TRP 12 HE3 TRP 12 -10.296 -7.859 -22.109 91 HZ2 TRP 12 HZ2 TRP 12 -7.114 -10.949 -24.386 92 HZ3 TRP 12 HZ3 TRP 12 -10.748 -10.273 -22.256 93 HH2 TRP 12 HH2 TRP 12 -9.189 -11.785 -23.372 94 H LEU 13 H LEU 13 -6.411 -2.883 -23.896 95 HA LEU 13 HA LEU 13 -8.149 -0.651 -23.072 96 HB2 LEU 13 2HB LEU 13 -5.425 -0.716 -23.030 97 HB3 LEU 13 3HB LEU 13 -5.738 -0.002 -24.610 98 HG LEU 13 HG LEU 13 -7.354 1.517 -23.076 99 HD11 LEU 13 1HD1 LEU 13 -6.721 1.744 -20.931 100 HD12 LEU 13 2HD1 LEU 13 -5.015 1.489 -21.296 101 HD13 LEU 13 3HD1 LEU 13 -6.100 0.107 -21.143 102 HD21 LEU 13 3HD2 LEU 13 -5.481 2.111 -24.709 103 HD22 LEU 13 1HD2 LEU 13 -4.424 2.132 -23.297 104 HD23 LEU 13 2HD2 LEU 13 -5.796 3.237 -23.388 105 H LYS 14 H LYS 14 -9.689 -0.227 -24.495 106 HA LYS 14 HA LYS 14 -9.216 -0.841 -27.331 107 HB2 LYS 14 2HB LYS 14 -11.165 -1.907 -26.099 108 HB3 LYS 14 3HB LYS 14 -11.880 -0.302 -26.022 109 HG2 LYS 14 2HG LYS 14 -11.788 -0.204 -28.502 110 HG3 LYS 14 3HG LYS 14 -11.231 -1.879 -28.502 111 HD2 LYS 14 2HD LYS 14 -13.423 -2.363 -28.659 112 HD3 LYS 14 3HD LYS 14 -13.429 -2.061 -26.920 113 HE2 LYS 14 2HE LYS 14 -14.396 0.018 -27.151 114 HE3 LYS 14 3HE LYS 14 -13.808 0.224 -28.800 115 HZ1 LYS 14 3HZ LYS 14 -15.448 -1.914 -29.005 116 HZ2 LYS 14 1HZ LYS 14 -15.876 -0.322 -29.382 117 HZ3 LYS 14 2HZ LYS 14 -16.254 -0.962 -27.863 118 H GLN 15 H GLN 15 -8.829 0.804 -28.646 119 HA GLN 15 HA GLN 15 -9.135 3.517 -27.784 120 HB2 GLN 15 2HB GLN 15 -7.651 2.151 -29.757 121 HB3 GLN 15 3HB GLN 15 -8.669 3.303 -30.612 122 HG2 GLN 15 2HG GLN 15 -7.389 5.002 -30.002 123 HG3 GLN 15 3HG GLN 15 -7.460 4.527 -28.306 124 HE21 GLN 15 2HE2 GLN 15 -4.179 3.832 -30.524 125 HE22 GLN 15 1HE2 GLN 15 -5.583 4.623 -31.144 126 H ASP 16 H ASP 16 -10.025 5.039 -29.709 127 HA ASP 16 HA ASP 16 -12.828 4.753 -29.630 128 HB2 ASP 16 2HB ASP 16 -10.951 6.728 -30.467 129 HB3 ASP 16 3HB ASP 16 -12.100 6.481 -31.779 130 H ARG 17 H ARG 17 -10.682 4.680 -32.484 131 HA ARG 17 HA ARG 17 -12.716 3.090 -33.880 132 HB2 ARG 17 2HB ARG 17 -10.539 4.930 -34.777 133 HB3 ARG 17 3HB ARG 17 -11.072 3.654 -35.864 134 HG2 ARG 17 2HG ARG 17 -13.277 5.153 -34.694 135 HG3 ARG 17 3HG ARG 17 -12.178 6.151 -35.647 136 HD2 ARG 17 2HD ARG 17 -12.378 4.335 -37.438 137 HD3 ARG 17 3HD ARG 17 -13.760 3.750 -36.512 138 HE ARG 17 HE ARG 17 -14.111 6.483 -36.952 139 HH11 ARG 17 1HH1 ARG 17 -13.982 3.517 -38.769 140 HH12 ARG 17 2HH1 ARG 17 -15.037 4.084 -40.020 141 HH21 ARG 17 2HH2 ARG 17 -15.901 6.204 -39.919 142 HH22 ARG 17 1HH2 ARG 17 -15.502 7.242 -38.593 143 H PHE 18 H PHE 18 -9.512 2.971 -32.589 144 HA PHE 18 HA PHE 18 -8.689 0.645 -34.065 145 HB2 PHE 18 2HB PHE 18 -7.500 2.488 -32.153 146 HB3 PHE 18 3HB PHE 18 -7.066 0.817 -31.810 147 HD1 PHE 18 HD1 PHE 18 -4.925 0.437 -32.548 148 HD2 PHE 18 HD2 PHE 18 -7.592 2.667 -35.005 149 HE1 PHE 18 HE1 PHE 18 -3.221 0.516 -34.321 150 HE2 PHE 18 HE2 PHE 18 -5.892 2.749 -36.782 151 HZ PHE 18 HZ PHE 18 -3.704 1.672 -36.442 152 HA PRO 19 HA PRO 19 -10.347 -2.557 -31.567 153 HB2 PRO 19 2HB PRO 19 -8.353 -4.398 -31.628 154 HB3 PRO 19 3HB PRO 19 -9.379 -4.047 -33.024 155 HG2 PRO 19 2HG PRO 19 -6.621 -3.062 -32.404 156 HG3 PRO 19 3HG PRO 19 -7.284 -3.634 -33.946 157 HD2 PRO 19 2HD PRO 19 -7.008 -1.004 -33.365 158 HD3 PRO 19 3HD PRO 19 -8.317 -1.623 -34.392 159 H TRP 20 H TRP 20 -9.414 -4.255 -29.806 160 HA TRP 20 HA TRP 20 -8.289 -2.558 -27.692 161 HB2 TRP 20 2HB TRP 20 -9.221 -4.249 -26.133 162 HB3 TRP 20 3HB TRP 20 -10.452 -3.518 -27.158 163 HD1 TRP 20 HD1 TRP 20 -8.739 -6.837 -26.439 164 HE1 TRP 20 HE1 TRP 20 -10.005 -8.714 -27.665 165 HE3 TRP 20 HE3 TRP 20 -11.892 -3.975 -29.268 166 HZ2 TRP 20 HZ2 TRP 20 -12.066 -8.949 -29.578 167 HZ3 TRP 20 HZ3 TRP 20 -13.480 -5.104 -30.771 168 HH2 TRP 20 HH2 TRP 20 -13.563 -7.539 -30.922 169 H TRP 21 H TRP 21 -6.294 -2.896 -26.969 170 HA TRP 21 HA TRP 21 -5.013 -5.482 -27.568 171 HB2 TRP 21 2HB TRP 21 -4.208 -2.819 -28.273 172 HB3 TRP 21 3HB TRP 21 -3.013 -3.515 -27.181 173 HD1 TRP 21 HD1 TRP 21 -1.151 -4.744 -28.413 174 HE1 TRP 21 HE1 TRP 21 -0.923 -6.010 -30.642 175 HE3 TRP 21 HE3 TRP 21 -5.971 -4.344 -30.071 176 HZ2 TRP 21 HZ2 TRP 21 -2.568 -6.742 -32.816 177 HZ3 TRP 21 HZ3 TRP 21 -6.561 -5.354 -32.236 178 HH2 TRP 21 HH2 TRP 21 -4.893 -6.527 -33.578 179 HA PRO 22 HA PRO 22 -4.235 -5.970 -23.273 180 HB2 PRO 22 2HB PRO 22 -1.945 -7.426 -23.347 181 HB3 PRO 22 3HB PRO 22 -3.523 -8.095 -23.777 182 HG2 PRO 22 2HG PRO 22 -1.344 -7.083 -25.563 183 HG3 PRO 22 3HG PRO 22 -2.349 -8.534 -25.736 184 HD2 PRO 22 2HD PRO 22 -2.833 -6.254 -27.114 185 HD3 PRO 22 3HD PRO 22 -4.130 -7.351 -26.597 186 H GLY 23 H GLY 23 -3.058 -5.102 -21.584 187 HA2 GLY 23 2HA GLY 23 -0.486 -3.868 -22.036 188 HA3 GLY 23 3HA GLY 23 -1.793 -2.718 -21.795 189 H PHE 24 H PHE 24 0.674 -3.787 -20.212 190 HA PHE 24 HA PHE 24 -0.566 -4.698 -17.762 191 HB2 PHE 24 2HB PHE 24 1.951 -5.002 -18.886 192 HB3 PHE 24 3HB PHE 24 2.227 -3.883 -17.555 193 HD1 PHE 24 HD1 PHE 24 0.531 -7.115 -18.297 194 HD2 PHE 24 HD2 PHE 24 2.598 -4.726 -15.445 195 HE1 PHE 24 HE1 PHE 24 0.526 -9.002 -16.718 196 HE2 PHE 24 HE2 PHE 24 2.598 -6.609 -13.862 197 HZ PHE 24 HZ PHE 24 1.562 -8.751 -14.498 198 H VAL 25 H VAL 25 -1.393 -3.378 -16.295 199 HA VAL 25 HA VAL 25 -1.049 -0.545 -16.436 200 HB VAL 25 HB VAL 25 -2.371 -2.243 -14.315 201 HG11 VAL 25 1HG1 VAL 25 -3.522 -0.077 -13.739 202 HG12 VAL 25 2HG1 VAL 25 -1.814 -0.169 -13.304 203 HG13 VAL 25 3HG1 VAL 25 -2.314 0.738 -14.732 204 HG21 VAL 25 3HG2 VAL 25 -3.792 -0.553 -16.334 205 HG22 VAL 25 1HG2 VAL 25 -3.247 -2.176 -16.756 206 HG23 VAL 25 2HG2 VAL 25 -4.383 -1.945 -15.427 207 H MET 26 H MET 26 0.645 0.531 -15.687 208 HA MET 26 HA MET 26 1.849 -0.310 -13.147 209 HB2 MET 26 2HB MET 26 3.461 0.523 -15.564 210 HB3 MET 26 3HB MET 26 4.091 0.016 -14.002 211 HG2 MET 26 2HG MET 26 2.788 -2.181 -14.504 212 HG3 MET 26 3HG MET 26 2.867 -1.617 -16.171 213 HE1 MET 26 3HE MET 26 5.491 -3.531 -13.417 214 HE2 MET 26 1HE MET 26 3.873 -3.845 -14.047 215 HE3 MET 26 2HE MET 26 5.283 -4.520 -14.864 216 H ASP 27 H ASP 27 2.541 1.337 -11.837 217 HA ASP 27 HA ASP 27 1.573 3.982 -12.513 218 HB2 ASP 27 2HB ASP 27 1.848 2.522 -10.136 219 HB3 ASP 27 3HB ASP 27 3.009 3.841 -10.005 220 HA PRO 28 HA PRO 28 5.421 5.683 -13.787 221 HB2 PRO 28 2HB PRO 28 5.000 8.289 -13.151 222 HB3 PRO 28 3HB PRO 28 4.212 7.495 -14.520 223 HG2 PRO 28 2HG PRO 28 3.141 8.054 -11.781 224 HG3 PRO 28 3HG PRO 28 2.344 8.242 -13.354 225 HD2 PRO 28 2HD PRO 28 1.897 6.115 -11.740 226 HD3 PRO 28 3HD PRO 28 1.843 5.997 -13.510 227 H ASP 29 H ASP 29 4.237 6.622 -10.575 228 HA ASP 29 HA ASP 29 6.581 5.886 -9.233 229 HB2 ASP 29 2HB ASP 29 7.114 8.144 -10.601 230 HB3 ASP 29 3HB ASP 29 6.454 8.848 -9.127 231 H GLU 30 H GLU 30 3.955 5.414 -8.744 232 HA GLU 30 HA GLU 30 2.421 5.389 -7.064 233 HB2 GLU 30 2HB GLU 30 4.339 7.047 -5.435 234 HB3 GLU 30 3HB GLU 30 3.112 5.929 -4.856 235 HG2 GLU 30 2HG GLU 30 4.680 4.380 -4.723 236 HG3 GLU 30 3HG GLU 30 4.782 4.401 -6.482 237 H VAL 31 H VAL 31 1.179 6.793 -8.507 238 HA VAL 31 HA VAL 31 1.105 9.619 -7.788 239 HB VAL 31 HB VAL 31 -0.582 9.789 -9.624 240 HG11 VAL 31 1HG1 VAL 31 2.220 8.899 -9.975 241 HG12 VAL 31 2HG1 VAL 31 1.206 8.950 -11.419 242 HG13 VAL 31 3HG1 VAL 31 1.440 10.407 -10.451 243 HG21 VAL 31 3HG2 VAL 31 -1.361 7.431 -9.454 244 HG22 VAL 31 1HG2 VAL 31 -0.967 7.934 -11.098 245 HG23 VAL 31 2HG2 VAL 31 0.158 6.921 -10.192 246 H ARG 32 H ARG 32 0.053 7.187 -6.179 247 HA ARG 32 HA ARG 32 -2.766 7.877 -5.944 248 HB2 ARG 32 2HB ARG 32 -1.033 5.718 -4.771 249 HB3 ARG 32 3HB ARG 32 -2.640 6.038 -4.132 250 HG2 ARG 32 2HG ARG 32 -2.264 5.573 -7.057 251 HG3 ARG 32 3HG ARG 32 -2.310 4.210 -5.937 252 HD2 ARG 32 2HD ARG 32 -4.441 6.334 -6.128 253 HD3 ARG 32 3HD ARG 32 -4.516 4.774 -6.945 254 HE ARG 32 HE ARG 32 -4.083 4.478 -4.147 255 HH11 ARG 32 1HH1 ARG 32 -6.526 5.126 -6.541 256 HH12 ARG 32 2HH1 ARG 32 -7.824 4.510 -5.573 257 HH21 ARG 32 2HH2 ARG 32 -7.401 3.679 -3.480 258 HH22 ARG 32 1HH2 ARG 32 -5.784 3.664 -2.862 259 H ASP 33 H ASP 33 0.245 8.241 -4.198 260 HA ASP 33 HA ASP 33 -1.174 9.592 -2.008 261 HB2 ASP 33 2HB ASP 33 1.278 7.986 -2.176 262 HB3 ASP 33 3HB ASP 33 1.452 9.456 -1.220 263 H ILE 34 H ILE 34 1.217 10.035 -4.520 264 HA ILE 34 HA ILE 34 1.416 12.881 -3.779 265 HB ILE 34 HB ILE 34 3.396 11.332 -5.447 266 HG12 ILE 34 2HG1 ILE 34 4.743 11.875 -3.177 267 HG13 ILE 34 3HG1 ILE 34 3.126 11.669 -2.512 268 HG21 ILE 34 1HG2 ILE 34 4.855 13.288 -4.920 269 HG22 ILE 34 2HG2 ILE 34 3.461 13.671 -5.929 270 HG23 ILE 34 3HG2 ILE 34 3.446 14.079 -4.213 271 HD11 ILE 34 3HD1 ILE 34 3.133 9.455 -2.853 272 HD12 ILE 34 1HD1 ILE 34 3.974 9.587 -4.397 273 HD13 ILE 34 2HD1 ILE 34 4.884 9.665 -2.888 274 H THR 35 H THR 35 0.180 14.105 -5.031 275 HA THR 35 HA THR 35 -0.190 13.336 -7.849 276 HB THR 35 HB THR 35 -2.316 13.425 -6.799 277 HG1 THR 35 HG1 THR 35 -2.380 14.474 -8.779 278 HG21 THR 35 3HG2 THR 35 -2.492 14.555 -4.879 279 HG22 THR 35 1HG2 THR 35 -2.713 16.006 -5.857 280 HG23 THR 35 2HG2 THR 35 -1.107 15.575 -5.271 281 H LEU 36 H LEU 36 1.331 14.366 -9.011 282 HA LEU 36 HA LEU 36 1.673 17.258 -8.564 283 HB2 LEU 36 2HB LEU 36 3.612 15.205 -9.607 284 HB3 LEU 36 3HB LEU 36 3.891 16.942 -9.701 285 HG LEU 36 HG LEU 36 3.492 15.457 -7.109 286 HD11 LEU 36 1HD1 LEU 36 6.159 16.422 -8.006 287 HD12 LEU 36 2HD1 LEU 36 5.558 14.887 -8.633 288 HD13 LEU 36 3HD1 LEU 36 5.742 15.118 -6.894 289 HD21 LEU 36 3HD2 LEU 36 4.637 17.511 -6.221 290 HD22 LEU 36 1HD2 LEU 36 3.015 17.772 -6.864 291 HD23 LEU 36 2HD2 LEU 36 4.425 18.231 -7.818 292 HA PRO 37 HA PRO 37 0.184 18.064 -12.615 293 HB2 PRO 37 2HB PRO 37 1.649 20.250 -13.282 294 HB3 PRO 37 3HB PRO 37 0.339 20.297 -12.096 295 HG2 PRO 37 2HG PRO 37 3.294 20.122 -11.648 296 HG3 PRO 37 3HG PRO 37 2.090 21.108 -10.798 297 HD2 PRO 37 2HD PRO 37 3.056 18.791 -9.783 298 HD3 PRO 37 3HD PRO 37 1.398 19.350 -9.478 299 H GLU 38 H GLU 38 0.577 17.178 -14.545 300 HA GLU 38 HA GLU 38 3.038 17.395 -15.926 301 HB2 GLU 38 2HB GLU 38 3.454 15.608 -14.087 302 HB3 GLU 38 3HB GLU 38 2.463 14.567 -15.098 303 HG2 GLU 38 2HG GLU 38 3.998 14.655 -16.877 304 HG3 GLU 38 3HG GLU 38 4.870 16.008 -16.159 305 H GLY 39 H GLY 39 0.522 14.875 -15.629 306 HA2 GLY 39 2HA GLY 39 -1.349 15.136 -17.309 307 HA3 GLY 39 3HA GLY 39 -0.060 15.291 -18.494 308 H SER 40 H SER 40 0.990 13.137 -16.234 309 HA SER 40 HA SER 40 -0.255 10.822 -17.540 310 HB2 SER 40 2HB SER 40 2.031 9.734 -17.588 311 HB3 SER 40 3HB SER 40 1.805 11.056 -18.734 312 HG SER 40 HG SER 40 3.795 10.969 -17.309 313 H ASP 41 H ASP 41 -1.309 9.917 -15.887 314 HA ASP 41 HA ASP 41 0.076 9.655 -13.306 315 HB2 ASP 41 2HB ASP 41 -2.453 10.599 -13.840 316 HB3 ASP 41 3HB ASP 41 -2.763 8.928 -13.377 317 H VAL 42 H VAL 42 -1.410 7.892 -15.915 318 HA VAL 42 HA VAL 42 -0.684 5.368 -14.574 319 HB VAL 42 HB VAL 42 -2.875 5.730 -16.621 320 HG11 VAL 42 1HG1 VAL 42 -3.288 3.384 -15.216 321 HG12 VAL 42 2HG1 VAL 42 -2.643 3.524 -16.852 322 HG13 VAL 42 3HG1 VAL 42 -1.544 3.420 -15.476 323 HG21 VAL 42 3HG2 VAL 42 -2.892 5.796 -13.644 324 HG22 VAL 42 1HG2 VAL 42 -3.833 6.739 -14.800 325 HG23 VAL 42 2HG2 VAL 42 -4.254 5.056 -14.484 326 H TRP 43 H TRP 43 0.532 3.918 -15.686 327 HA TRP 43 HA TRP 43 1.289 4.644 -18.441 328 HB2 TRP 43 2HB TRP 43 2.961 4.642 -16.245 329 HB3 TRP 43 3HB TRP 43 3.265 3.064 -16.967 330 HD1 TRP 43 HD1 TRP 43 2.842 4.166 -20.042 331 HE1 TRP 43 HE1 TRP 43 4.780 5.491 -21.096 332 HE3 TRP 43 HE3 TRP 43 5.284 5.565 -15.774 333 HZ2 TRP 43 HZ2 TRP 43 7.045 6.938 -20.233 334 HZ3 TRP 43 HZ3 TRP 43 7.329 6.919 -15.975 335 HH2 TRP 43 HH2 TRP 43 8.190 7.590 -18.160 336 H VAL 44 H VAL 44 0.351 3.222 -19.758 337 HA VAL 44 HA VAL 44 0.060 0.435 -18.909 338 HB VAL 44 HB VAL 44 -1.102 1.866 -21.303 339 HG11 VAL 44 1HG1 VAL 44 -2.547 -0.175 -21.451 340 HG12 VAL 44 2HG1 VAL 44 -0.849 -0.441 -21.851 341 HG13 VAL 44 3HG1 VAL 44 -1.475 -0.942 -20.280 342 HG21 VAL 44 3HG2 VAL 44 -2.223 2.733 -19.453 343 HG22 VAL 44 1HG2 VAL 44 -3.253 1.396 -19.964 344 HG23 VAL 44 2HG2 VAL 44 -2.174 1.200 -18.583 345 H CYS 45 H CYS 45 1.558 -0.980 -19.489 346 HA CYS 45 HA CYS 45 3.263 -0.402 -21.798 347 HB2 CYS 45 2HB CYS 45 4.473 -0.884 -19.769 348 HB3 CYS 45 3HB CYS 45 3.555 -2.363 -19.517 349 HG CYS 45 HG CYS 45 5.640 -3.641 -20.387 350 H CYS 46 H CYS 46 2.151 -1.056 -23.577 351 HA CYS 46 HA CYS 46 0.681 -3.518 -23.652 352 HB2 CYS 46 2HB CYS 46 1.493 -1.613 -25.857 353 HB3 CYS 46 3HB CYS 46 0.417 -2.988 -26.073 354 HG CYS 46 HG CYS 46 -1.315 -1.827 -23.957 355 H LEU 47 H LEU 47 1.132 -5.023 -25.611 356 HA LEU 47 HA LEU 47 3.632 -6.271 -25.145 357 HB2 LEU 47 2HB LEU 47 2.808 -7.994 -26.344 358 HB3 LEU 47 3HB LEU 47 1.289 -7.144 -26.072 359 HG LEU 47 HG LEU 47 2.967 -6.999 -28.577 360 HD11 LEU 47 1HD1 LEU 47 2.014 -9.050 -28.806 361 HD12 LEU 47 2HD1 LEU 47 0.682 -8.059 -29.399 362 HD13 LEU 47 3HD1 LEU 47 0.659 -8.666 -27.743 363 HD21 LEU 47 3HD2 LEU 47 1.883 -5.073 -28.893 364 HD22 LEU 47 1HD2 LEU 47 0.778 -5.375 -27.552 365 HD23 LEU 47 2HD2 LEU 47 0.444 -6.062 -29.142 366 HA PRO 48 HA PRO 48 6.322 -4.431 -28.083 367 HB2 PRO 48 2HB PRO 48 7.749 -6.565 -28.965 368 HB3 PRO 48 3HB PRO 48 7.949 -5.878 -27.349 369 HG2 PRO 48 2HG PRO 48 6.382 -8.281 -28.204 370 HG3 PRO 48 3HG PRO 48 7.437 -8.077 -26.793 371 HD2 PRO 48 2HD PRO 48 4.738 -7.921 -26.630 372 HD3 PRO 48 3HD PRO 48 5.815 -6.974 -25.583 373 H ARG 49 H ARG 49 5.324 -3.632 -29.856 374 HA ARG 49 HA ARG 49 5.275 -5.245 -32.240 375 HB2 ARG 49 2HB ARG 49 2.942 -5.062 -32.733 376 HB3 ARG 49 3HB ARG 49 3.088 -5.753 -31.123 377 HG2 ARG 49 2HG ARG 49 1.494 -4.228 -30.662 378 HG3 ARG 49 3HG ARG 49 2.894 -3.174 -30.459 379 HD2 ARG 49 2HD ARG 49 2.392 -1.957 -32.278 380 HD3 ARG 49 3HD ARG 49 1.930 -3.376 -33.216 381 HE ARG 49 HE ARG 49 0.192 -1.654 -31.704 382 HH11 ARG 49 1HH1 ARG 49 0.605 -4.829 -33.071 383 HH12 ARG 49 2HH1 ARG 49 -1.095 -5.154 -33.159 384 HH21 ARG 49 2HH2 ARG 49 -2.603 -3.584 -32.445 385 HH22 ARG 49 1HH2 ARG 49 -2.048 -2.070 -31.814 386 H ASP 50 H ASP 50 4.625 -2.207 -30.616 387 HA ASP 50 HA ASP 50 5.083 -0.783 -33.153 388 HB2 ASP 50 2HB ASP 50 3.110 -0.439 -31.130 389 HB3 ASP 50 3HB ASP 50 4.148 0.984 -31.117 390 H SER 51 H SER 51 6.924 -1.893 -30.901 391 HA SER 51 HA SER 51 8.997 -1.339 -30.128 392 HB2 SER 51 2HB SER 51 8.978 -0.016 -32.400 393 HB3 SER 51 3HB SER 51 8.842 1.394 -31.349 394 HG SER 51 HG SER 51 10.752 0.669 -30.292 395 H LEU 52 H LEU 52 7.431 -1.260 -28.184 396 HA LEU 52 HA LEU 52 7.000 -0.387 -26.129 397 HB2 LEU 52 2HB LEU 52 9.340 1.068 -27.072 398 HB3 LEU 52 3HB LEU 52 8.372 1.994 -25.927 399 HG LEU 52 HG LEU 52 10.138 0.842 -24.759 400 HD11 LEU 52 1HD1 LEU 52 7.379 0.554 -24.202 401 HD12 LEU 52 2HD1 LEU 52 8.730 0.584 -23.070 402 HD13 LEU 52 3HD1 LEU 52 8.179 -0.950 -23.743 403 HD21 LEU 52 3HD2 LEU 52 10.585 -0.953 -26.304 404 HD22 LEU 52 1HD2 LEU 52 8.999 -1.661 -25.996 405 HD23 LEU 52 2HD2 LEU 52 10.214 -1.630 -24.718 406 H THR 53 H THR 53 4.850 0.013 -27.003 407 HA THR 53 HA THR 53 4.256 2.787 -27.700 408 HB THR 53 HB THR 53 1.997 0.917 -27.502 409 HG1 THR 53 HG1 THR 53 2.851 -0.624 -28.660 410 HG21 THR 53 3HG2 THR 53 1.641 3.024 -28.537 411 HG22 THR 53 1HG2 THR 53 1.637 1.830 -29.834 412 HG23 THR 53 2HG2 THR 53 3.060 2.837 -29.567 413 H LEU 54 H LEU 54 5.093 2.390 -25.055 414 HA LEU 54 HA LEU 54 3.136 1.976 -23.146 415 HB2 LEU 54 2HB LEU 54 5.451 3.903 -23.120 416 HB3 LEU 54 3HB LEU 54 4.480 3.505 -21.704 417 HG LEU 54 HG LEU 54 5.822 1.295 -23.189 418 HD11 LEU 54 1HD1 LEU 54 7.741 2.524 -23.023 419 HD12 LEU 54 2HD1 LEU 54 7.726 1.760 -21.434 420 HD13 LEU 54 3HD1 LEU 54 7.177 3.426 -21.616 421 HD21 LEU 54 3HD2 LEU 54 5.579 0.137 -21.236 422 HD22 LEU 54 1HD2 LEU 54 4.208 1.237 -21.099 423 HD23 LEU 54 2HD2 LEU 54 5.704 1.582 -20.232 424 H SER 55 H SER 55 1.286 2.962 -22.708 425 HA SER 55 HA SER 55 0.796 5.621 -23.829 426 HB2 SER 55 2HB SER 55 -0.758 3.375 -23.855 427 HB3 SER 55 3HB SER 55 -1.425 4.238 -22.470 428 HG SER 55 HG SER 55 -2.465 5.328 -23.933 429 H ALA 56 H ALA 56 1.060 7.327 -22.567 430 HA ALA 56 HA ALA 56 0.658 7.016 -19.664 431 HB1 ALA 56 1HB ALA 56 2.896 7.938 -21.034 432 HB2 ALA 56 2HB ALA 56 2.128 9.391 -20.394 433 HB3 ALA 56 3HB ALA 56 2.577 8.079 -19.305 434 H ALA 57 H ALA 57 -0.993 8.074 -18.792 435 HA ALA 57 HA ALA 57 -1.815 10.662 -19.785 436 HB1 ALA 57 1HB ALA 57 -4.123 10.046 -20.223 437 HB2 ALA 57 2HB ALA 57 -3.033 9.132 -21.267 438 HB3 ALA 57 3HB ALA 57 -3.760 8.358 -19.859 439 H ASN 58 H ASN 58 -2.950 11.858 -18.279 440 HA ASN 58 HA ASN 58 -3.302 10.575 -15.650 441 HB2 ASN 58 2HB ASN 58 -1.530 12.189 -15.512 442 HB3 ASN 58 3HB ASN 58 -2.497 13.403 -16.345 443 HD21 ASN 58 2HD2 ASN 58 -2.904 14.589 -13.049 444 HD22 ASN 58 1HD2 ASN 58 -1.941 14.714 -14.478 445 H SER 59 H SER 59 -5.413 10.141 -15.453 446 HA SER 59 HA SER 59 -7.676 10.395 -15.401 447 HB2 SER 59 2HB SER 59 -6.681 13.150 -14.726 448 HB3 SER 59 3HB SER 59 -8.410 12.828 -14.845 449 HG SER 59 HG SER 59 -8.278 12.023 -12.922 450 H GLU 60 H GLU 60 -6.364 10.571 -17.985 451 HA GLU 60 HA GLU 60 -8.304 12.269 -19.413 452 HB2 GLU 60 2HB GLU 60 -5.447 11.579 -20.049 453 HB3 GLU 60 3HB GLU 60 -6.556 12.111 -21.306 454 HG2 GLU 60 2HG GLU 60 -6.939 14.193 -20.097 455 HG3 GLU 60 3HG GLU 60 -5.841 13.660 -18.826 456 H ASP 61 H ASP 61 -6.865 9.125 -19.095 457 HA ASP 61 HA ASP 61 -8.219 8.100 -21.460 458 HB2 ASP 61 2HB ASP 61 -5.914 7.355 -20.903 459 HB3 ASP 61 3HB ASP 61 -6.535 6.627 -19.424 460 H GLU 62 H GLU 62 -10.334 7.747 -21.245 461 HA GLU 62 HA GLU 62 -11.242 5.995 -19.105 462 HB2 GLU 62 2HB GLU 62 -11.619 8.768 -18.928 463 HB3 GLU 62 3HB GLU 62 -13.170 8.122 -19.445 464 HG2 GLU 62 2HG GLU 62 -12.697 6.401 -17.499 465 HG3 GLU 62 3HG GLU 62 -11.700 7.727 -16.902 466 H GLY 63 H GLY 63 -10.903 5.994 -22.090 467 HA2 GLY 63 2HA GLY 63 -13.472 6.052 -23.294 468 HA3 GLY 63 3HA GLY 63 -12.037 5.286 -23.959 469 H GLN 64 H GLN 64 -11.719 3.100 -23.692 470 HA GLN 64 HA GLN 64 -13.798 1.626 -22.229 471 HB2 GLN 64 2HB GLN 64 -13.056 1.429 -25.098 472 HB3 GLN 64 3HB GLN 64 -13.376 -0.079 -24.252 473 HG2 GLN 64 2HG GLN 64 -15.416 0.538 -25.211 474 HG3 GLN 64 3HG GLN 64 -15.558 0.964 -23.507 475 HE21 GLN 64 2HE2 GLN 64 -16.496 4.186 -24.259 476 HE22 GLN 64 1HE2 GLN 64 -16.615 2.785 -23.255 477 H ILE 65 H ILE 65 -12.984 0.197 -20.851 478 HA ILE 65 HA ILE 65 -10.432 -1.101 -21.445 479 HB ILE 65 HB ILE 65 -9.798 0.802 -20.076 480 HG12 ILE 65 2HG1 ILE 65 -9.655 -1.329 -18.032 481 HG13 ILE 65 3HG1 ILE 65 -9.079 -1.777 -19.633 482 HG21 ILE 65 1HG2 ILE 65 -12.262 0.371 -18.827 483 HG22 ILE 65 2HG2 ILE 65 -11.042 0.060 -17.593 484 HG23 ILE 65 3HG2 ILE 65 -11.065 1.607 -18.439 485 HD11 ILE 65 3HD1 ILE 65 -8.059 0.797 -18.786 486 HD12 ILE 65 1HD1 ILE 65 -7.636 -0.499 -17.668 487 HD13 ILE 65 2HD1 ILE 65 -7.200 -0.627 -19.372 488 H ARG 66 H ARG 66 -10.190 -3.131 -20.548 489 HA ARG 66 HA ARG 66 -12.390 -4.132 -18.879 490 HB2 ARG 66 2HB ARG 66 -12.301 -4.706 -21.517 491 HB3 ARG 66 3HB ARG 66 -11.298 -6.007 -20.891 492 HG2 ARG 66 2HG ARG 66 -13.541 -6.796 -21.043 493 HG3 ARG 66 3HG ARG 66 -13.144 -6.600 -19.335 494 HD2 ARG 66 2HD ARG 66 -14.808 -5.152 -19.051 495 HD3 ARG 66 3HD ARG 66 -14.243 -4.165 -20.399 496 HE ARG 66 HE ARG 66 -15.891 -5.075 -21.688 497 HH11 ARG 66 1HH1 ARG 66 -15.358 -7.138 -18.935 498 HH12 ARG 66 2HH1 ARG 66 -16.689 -8.186 -19.298 499 HH21 ARG 66 2HH2 ARG 66 -17.988 -7.793 -21.144 500 HH22 ARG 66 1HH2 ARG 66 -17.645 -6.448 -22.177 501 H TYR 67 H TYR 67 -11.783 -5.443 -17.248 502 HA TYR 67 HA TYR 67 -9.003 -5.679 -16.642 503 HB2 TYR 67 2HB TYR 67 -11.266 -7.095 -15.235 504 HB3 TYR 67 3HB TYR 67 -9.694 -6.654 -14.577 505 HD1 TYR 67 HD1 TYR 67 -13.035 -5.832 -14.489 506 HD2 TYR 67 HD2 TYR 67 -9.225 -3.978 -14.873 507 HE1 TYR 67 HE1 TYR 67 -13.984 -3.722 -13.655 508 HE2 TYR 67 HE2 TYR 67 -10.163 -1.863 -14.039 509 HH TYR 67 HH TYR 67 -12.075 -0.757 -13.566 510 H PHE 68 H PHE 68 -7.642 -7.286 -17.082 511 HA PHE 68 HA PHE 68 -8.763 -9.800 -18.132 512 HB2 PHE 68 2HB PHE 68 -7.499 -8.553 -19.816 513 HB3 PHE 68 3HB PHE 68 -6.103 -8.496 -18.745 514 HD1 PHE 68 HD1 PHE 68 -8.181 -10.662 -20.859 515 HD2 PHE 68 HD2 PHE 68 -4.657 -10.376 -18.490 516 HE1 PHE 68 HE1 PHE 68 -7.380 -12.790 -21.800 517 HE2 PHE 68 HE2 PHE 68 -3.850 -12.503 -19.427 518 HZ PHE 68 HZ PHE 68 -5.212 -13.713 -21.085 519 H LEU 69 H LEU 69 -7.964 -11.748 -17.405 520 HA LEU 69 HA LEU 69 -5.676 -12.127 -15.847 521 HB2 LEU 69 2HB LEU 69 -7.902 -11.026 -14.417 522 HB3 LEU 69 3HB LEU 69 -7.565 -12.651 -13.826 523 HG LEU 69 HG LEU 69 -5.402 -10.578 -14.045 524 HD11 LEU 69 1HD1 LEU 69 -7.184 -11.074 -11.664 525 HD12 LEU 69 2HD1 LEU 69 -7.216 -9.637 -12.685 526 HD13 LEU 69 3HD1 LEU 69 -5.785 -10.002 -11.721 527 HD21 LEU 69 3HD2 LEU 69 -5.119 -13.165 -13.658 528 HD22 LEU 69 1HD2 LEU 69 -5.551 -12.739 -12.003 529 HD23 LEU 69 2HD2 LEU 69 -4.143 -11.998 -12.765 530 HA PRO 70 HA PRO 70 -8.481 -16.031 -15.439 531 HB2 PRO 70 2HB PRO 70 -11.054 -15.823 -16.279 532 HB3 PRO 70 3HB PRO 70 -10.552 -15.462 -14.623 533 HG2 PRO 70 2HG PRO 70 -11.077 -13.585 -16.895 534 HG3 PRO 70 3HG PRO 70 -11.552 -13.442 -15.193 535 HD2 PRO 70 2HD PRO 70 -9.426 -12.122 -16.228 536 HD3 PRO 70 3HD PRO 70 -9.473 -12.687 -14.545 537 H ASP 71 H ASP 71 -8.310 -13.940 -18.098 538 HA ASP 71 HA ASP 71 -8.315 -14.226 -20.368 539 HB2 ASP 71 2HB ASP 71 -6.924 -16.049 -21.143 540 HB3 ASP 71 3HB ASP 71 -6.242 -15.404 -19.652 541 H ARG 72 H ARG 72 -10.781 -14.948 -19.104 542 HA ARG 72 HA ARG 72 -11.760 -16.886 -21.085 543 HB2 ARG 72 2HB ARG 72 -13.069 -18.046 -19.514 544 HB3 ARG 72 3HB ARG 72 -11.510 -17.846 -18.726 545 HG2 ARG 72 2HG ARG 72 -12.510 -15.792 -17.613 546 HG3 ARG 72 3HG ARG 72 -14.071 -16.381 -18.188 547 HD2 ARG 72 2HD ARG 72 -13.567 -17.075 -15.870 548 HD3 ARG 72 3HD ARG 72 -13.796 -18.438 -16.964 549 HE ARG 72 HE ARG 72 -11.052 -17.721 -16.749 550 HH11 ARG 72 1HH1 ARG 72 -13.631 -19.386 -15.108 551 HH12 ARG 72 2HH1 ARG 72 -12.570 -20.446 -14.240 552 HH21 ARG 72 2HH2 ARG 72 -10.303 -20.287 -14.526 553 HH22 ARG 72 1HH2 ARG 72 -9.645 -19.110 -15.612 554 H ASP 73 H ASP 73 -11.757 -13.898 -20.813 555 HA ASP 73 HA ASP 73 -14.607 -13.324 -20.533 556 HB2 ASP 73 2HB ASP 73 -12.837 -11.852 -19.487 557 HB3 ASP 73 3HB ASP 73 -12.382 -11.367 -21.118 558 H GLU 74 H GLU 74 -13.718 -14.928 -22.750 559 HA GLU 74 HA GLU 74 -14.041 -15.145 -24.991 560 HB2 GLU 74 2HB GLU 74 -15.697 -12.640 -24.641 561 HB3 GLU 74 3HB GLU 74 -15.738 -13.706 -26.037 562 HG2 GLU 74 2HG GLU 74 -16.307 -15.521 -24.228 563 HG3 GLU 74 3HG GLU 74 -16.831 -14.114 -23.305 564 H GLY 75 H GLY 75 -11.659 -13.951 -24.268 565 HA2 GLY 75 2HA GLY 75 -11.193 -12.245 -26.612 566 HA3 GLY 75 3HA GLY 75 -10.669 -11.668 -25.036 567 H MET 76 H MET 76 -9.815 -14.188 -24.006 568 HA MET 76 HA MET 76 -7.160 -14.226 -24.739 569 HB2 MET 76 2HB MET 76 -7.909 -15.289 -22.706 570 HB3 MET 76 3HB MET 76 -8.855 -16.460 -23.616 571 HG2 MET 76 2HG MET 76 -6.795 -17.431 -22.754 572 HG3 MET 76 3HG MET 76 -6.833 -17.438 -24.516 573 HE1 MET 76 3HE MET 76 -3.055 -16.986 -23.470 574 HE2 MET 76 1HE MET 76 -4.370 -18.105 -23.108 575 HE3 MET 76 2HE MET 76 -4.005 -17.687 -24.782 576 H MET 77 H MET 77 -9.870 -15.834 -26.239 577 HA MET 77 HA MET 77 -8.497 -17.738 -27.767 578 HB2 MET 77 2HB MET 77 -10.487 -17.694 -29.245 579 HB3 MET 77 3HB MET 77 -10.902 -17.826 -27.541 580 HG2 MET 77 2HG MET 77 -11.345 -15.390 -27.510 581 HG3 MET 77 3HG MET 77 -11.050 -15.354 -29.247 582 HE1 MET 77 3HE MET 77 -12.229 -15.995 -30.892 583 HE2 MET 77 1HE MET 77 -13.526 -17.189 -30.936 584 HE3 MET 77 2HE MET 77 -13.911 -15.476 -30.766 585 H GLU 78 H GLU 78 -9.284 -14.353 -28.430 586 HA GLU 78 HA GLU 78 -7.935 -14.476 -31.006 587 HB2 GLU 78 2HB GLU 78 -9.653 -12.479 -29.603 588 HB3 GLU 78 3HB GLU 78 -8.554 -11.906 -30.849 589 HG2 GLU 78 2HG GLU 78 -9.591 -13.702 -32.338 590 HG3 GLU 78 3HG GLU 78 -10.855 -13.804 -31.114 591 H GLU 79 H GLU 79 -7.273 -13.610 -27.757 592 HA GLU 79 HA GLU 79 -4.900 -12.072 -28.539 593 HB2 GLU 79 2HB GLU 79 -6.767 -11.816 -26.421 594 HB3 GLU 79 3HB GLU 79 -5.222 -12.242 -25.699 595 HG2 GLU 79 2HG GLU 79 -4.910 -10.020 -25.743 596 HG3 GLU 79 3HG GLU 79 -4.404 -10.343 -27.401 597 H GLY 80 H GLY 80 -5.331 -15.089 -28.595 598 HA2 GLY 80 2HA GLY 80 -2.712 -15.760 -27.599 599 HA3 GLY 80 3HA GLY 80 -4.013 -16.501 -26.679 600 H LYS 81 H LYS 81 -5.806 -16.938 -28.833 601 HA LYS 81 HA LYS 81 -4.438 -19.189 -30.113 602 HB2 LYS 81 2HB LYS 81 -6.882 -19.011 -28.836 603 HB3 LYS 81 3HB LYS 81 -7.322 -18.979 -30.538 604 HG2 LYS 81 2HG LYS 81 -5.489 -21.015 -30.432 605 HG3 LYS 81 3HG LYS 81 -6.345 -21.175 -28.897 606 HD2 LYS 81 2HD LYS 81 -7.860 -20.807 -31.454 607 HD3 LYS 81 3HD LYS 81 -7.259 -22.401 -30.990 608 HE2 LYS 81 2HE LYS 81 -8.408 -21.700 -28.685 609 HE3 LYS 81 3HE LYS 81 -9.400 -20.742 -29.784 610 HZ1 LYS 81 3HZ LYS 81 -10.566 -22.591 -30.096 611 HZ2 LYS 81 1HZ LYS 81 -9.415 -23.559 -29.321 612 HZ3 LYS 81 2HZ LYS 81 -9.249 -23.201 -30.966 613 H LEU 82 H LEU 82 -4.411 -16.259 -30.941 614 HA LEU 82 HA LEU 82 -5.157 -16.736 -33.747 615 HB2 LEU 82 2HB LEU 82 -6.759 -15.221 -32.577 616 HB3 LEU 82 3HB LEU 82 -5.425 -14.102 -32.309 617 HG LEU 82 HG LEU 82 -5.179 -13.989 -34.823 618 HD11 LEU 82 1HD1 LEU 82 -7.044 -14.671 -36.183 619 HD12 LEU 82 2HD1 LEU 82 -7.912 -15.258 -34.766 620 HD13 LEU 82 3HD1 LEU 82 -6.436 -16.067 -35.292 621 HD21 LEU 82 3HD2 LEU 82 -7.408 -12.627 -34.997 622 HD22 LEU 82 1HD2 LEU 82 -6.108 -12.085 -33.936 623 HD23 LEU 82 2HD2 LEU 82 -7.496 -12.942 -33.264 624 H ASP 83 H ASP 83 -3.347 -14.472 -31.666 625 HA ASP 83 HA ASP 83 -1.194 -14.506 -33.679 626 HB2 ASP 83 2HB ASP 83 -1.514 -12.267 -31.712 627 HB3 ASP 83 3HB ASP 83 -0.749 -12.254 -33.299 628 H ALA 84 H ALA 84 0.683 -15.336 -33.051 629 HA ALA 84 HA ALA 84 1.100 -16.497 -30.548 630 HB1 ALA 84 1HB ALA 84 2.303 -16.866 -32.827 631 HB2 ALA 84 2HB ALA 84 3.413 -15.633 -32.229 632 HB3 ALA 84 3HB ALA 84 3.180 -17.127 -31.320 633 H SER 85 H SER 85 1.623 -13.254 -31.650 634 HA SER 85 HA SER 85 3.498 -12.452 -29.681 635 HB2 SER 85 2HB SER 85 1.493 -10.693 -31.108 636 HB3 SER 85 3HB SER 85 3.019 -10.194 -30.378 637 HG SER 85 HG SER 85 2.528 -11.433 -32.804 638 H CYS 86 H CYS 86 -0.029 -12.408 -29.833 639 HA CYS 86 HA CYS 86 -0.385 -11.007 -27.379 640 HB2 CYS 86 2HB CYS 86 -2.321 -12.804 -28.856 641 HB3 CYS 86 3HB CYS 86 -2.738 -11.665 -27.580 642 HG CYS 86 HG CYS 86 -1.163 -9.918 -29.786 643 H ALA 87 H ALA 87 -0.375 -14.424 -28.287 644 HA ALA 87 HA ALA 87 -1.142 -15.451 -25.775 645 HB1 ALA 87 1HB ALA 87 -0.101 -16.514 -28.287 646 HB2 ALA 87 2HB ALA 87 0.397 -17.434 -26.867 647 HB3 ALA 87 3HB ALA 87 -1.317 -17.172 -27.192 648 H VAL 88 H VAL 88 2.038 -14.811 -27.205 649 HA VAL 88 HA VAL 88 3.529 -15.842 -25.014 650 HB VAL 88 HB VAL 88 4.328 -13.909 -27.193 651 HG11 VAL 88 1HG1 VAL 88 6.044 -13.466 -25.803 652 HG12 VAL 88 2HG1 VAL 88 5.774 -14.917 -24.836 653 HG13 VAL 88 3HG1 VAL 88 6.646 -15.025 -26.366 654 HG21 VAL 88 3HG2 VAL 88 5.514 -16.558 -27.212 655 HG22 VAL 88 1HG2 VAL 88 3.755 -16.611 -27.330 656 HG23 VAL 88 2HG2 VAL 88 4.691 -15.681 -28.501 657 H ALA 89 H ALA 89 2.393 -12.618 -25.903 658 HA ALA 89 HA ALA 89 3.765 -11.167 -23.928 659 HB1 ALA 89 1HB ALA 89 2.867 -9.846 -25.599 660 HB2 ALA 89 2HB ALA 89 1.301 -10.657 -25.542 661 HB3 ALA 89 3HB ALA 89 1.766 -9.545 -24.254 662 H ILE 90 H ILE 90 0.537 -12.644 -23.915 663 HA ILE 90 HA ILE 90 -0.150 -11.766 -21.306 664 HB ILE 90 HB ILE 90 -1.240 -14.069 -22.927 665 HG12 ILE 90 2HG1 ILE 90 -2.472 -11.358 -22.428 666 HG13 ILE 90 3HG1 ILE 90 -1.468 -11.705 -23.832 667 HG21 ILE 90 1HG2 ILE 90 -1.832 -14.577 -20.725 668 HG22 ILE 90 2HG2 ILE 90 -2.095 -12.884 -20.309 669 HG23 ILE 90 3HG2 ILE 90 -3.237 -13.721 -21.360 670 HD11 ILE 90 3HD1 ILE 90 -3.455 -12.147 -24.776 671 HD12 ILE 90 1HD1 ILE 90 -3.224 -13.722 -24.018 672 HD13 ILE 90 2HD1 ILE 90 -4.232 -12.505 -23.234 673 H GLU 91 H GLU 91 1.072 -14.863 -22.558 674 HA GLU 91 HA GLU 91 1.101 -16.276 -20.159 675 HB2 GLU 91 2HB GLU 91 1.609 -17.027 -22.613 676 HB3 GLU 91 3HB GLU 91 3.273 -16.654 -22.188 677 HG2 GLU 91 2HG GLU 91 3.261 -18.267 -20.430 678 HG3 GLU 91 3HG GLU 91 1.529 -18.536 -20.621 679 H GLU 92 H GLU 92 3.440 -14.019 -21.506 680 HA GLU 92 HA GLU 92 5.452 -14.515 -19.542 681 HB2 GLU 92 2HB GLU 92 6.103 -13.610 -21.677 682 HB3 GLU 92 3HB GLU 92 5.034 -12.230 -21.471 683 HG2 GLU 92 2HG GLU 92 6.413 -11.234 -19.892 684 HG3 GLU 92 3HG GLU 92 7.256 -12.741 -19.538 685 H ALA 93 H ALA 93 2.981 -12.007 -19.977 686 HA ALA 93 HA ALA 93 3.641 -10.372 -17.827 687 HB1 ALA 93 1HB ALA 93 1.905 -9.224 -18.591 688 HB2 ALA 93 2HB ALA 93 1.541 -10.556 -19.689 689 HB3 ALA 93 3HB ALA 93 0.796 -10.501 -18.091 690 H ILE 94 H ILE 94 1.557 -13.238 -17.925 691 HA ILE 94 HA ILE 94 0.886 -13.076 -15.140 692 HB ILE 94 HB ILE 94 -0.179 -15.245 -15.442 693 HG12 ILE 94 2HG1 ILE 94 1.081 -15.182 -18.192 694 HG13 ILE 94 3HG1 ILE 94 1.475 -16.301 -16.892 695 HG21 ILE 94 1HG2 ILE 94 -0.892 -13.815 -17.950 696 HG22 ILE 94 2HG2 ILE 94 -1.933 -14.476 -16.690 697 HG23 ILE 94 3HG2 ILE 94 -1.069 -12.963 -16.416 698 HD11 ILE 94 3HD1 ILE 94 -1.009 -16.163 -18.556 699 HD12 ILE 94 1HD1 ILE 94 0.104 -17.512 -18.335 700 HD13 ILE 94 2HD1 ILE 94 -0.965 -17.026 -17.019 701 H GLN 95 H GLN 95 3.284 -14.750 -17.071 702 HA GLN 95 HA GLN 95 4.132 -16.605 -15.124 703 HB2 GLN 95 2HB GLN 95 5.226 -15.523 -17.662 704 HB3 GLN 95 3HB GLN 95 6.372 -16.277 -16.563 705 HG2 GLN 95 2HG GLN 95 3.855 -17.602 -17.539 706 HG3 GLN 95 3HG GLN 95 5.437 -17.798 -18.292 707 HE21 GLN 95 2HE2 GLN 95 4.470 -19.770 -14.891 708 HE22 GLN 95 1HE2 GLN 95 3.430 -18.580 -15.589 709 H LEU 96 H LEU 96 4.882 -13.242 -15.677 710 HA LEU 96 HA LEU 96 7.061 -13.271 -13.750 711 HB2 LEU 96 2HB LEU 96 5.844 -11.060 -15.394 712 HB3 LEU 96 3HB LEU 96 7.186 -10.836 -14.273 713 HG LEU 96 HG LEU 96 7.293 -12.671 -16.662 714 HD11 LEU 96 1HD1 LEU 96 8.769 -10.813 -17.584 715 HD12 LEU 96 2HD1 LEU 96 8.019 -9.773 -16.375 716 HD13 LEU 96 3HD1 LEU 96 7.026 -10.545 -17.611 717 HD21 LEU 96 3HD2 LEU 96 9.345 -13.221 -15.985 718 HD22 LEU 96 1HD2 LEU 96 8.905 -12.518 -14.428 719 HD23 LEU 96 2HD2 LEU 96 9.762 -11.545 -15.624 720 H TYR 97 H TYR 97 3.790 -11.969 -14.077 721 HA TYR 97 HA TYR 97 3.707 -10.491 -11.703 722 HB2 TYR 97 2HB TYR 97 2.017 -10.481 -13.601 723 HB3 TYR 97 3HB TYR 97 1.353 -11.952 -12.899 724 HD1 TYR 97 HD1 TYR 97 2.596 -8.837 -11.265 725 HD2 TYR 97 HD2 TYR 97 -0.722 -11.388 -12.026 726 HE1 TYR 97 HE1 TYR 97 1.214 -7.482 -9.747 727 HE2 TYR 97 HE2 TYR 97 -2.114 -10.040 -10.512 728 HH TYR 97 HH TYR 97 -1.980 -7.460 -9.697 729 H GLU 98 H GLU 98 3.057 -13.900 -12.337 730 HA GLU 98 HA GLU 98 2.343 -14.382 -9.563 731 HB2 GLU 98 2HB GLU 98 2.248 -15.934 -12.092 732 HB3 GLU 98 3HB GLU 98 2.445 -16.852 -10.606 733 HG2 GLU 98 2HG GLU 98 0.426 -15.674 -9.714 734 HG3 GLU 98 3HG GLU 98 0.193 -14.997 -11.325 735 H GLU 99 H GLU 99 5.151 -13.736 -10.864 736 HA GLU 99 HA GLU 99 6.599 -15.806 -9.345 737 HB2 GLU 99 2HB GLU 99 7.118 -14.593 -12.006 738 HB3 GLU 99 3HB GLU 99 8.518 -14.906 -10.989 739 HG2 GLU 99 2HG GLU 99 6.506 -17.062 -11.406 740 HG3 GLU 99 3HG GLU 99 7.673 -16.701 -12.677 741 H GLN 100 H GLN 100 5.988 -12.469 -9.800 742 HA GLN 100 HA GLN 100 8.227 -11.758 -8.027 743 HB2 GLN 100 2HB GLN 100 6.785 -10.276 -10.184 744 HB3 GLN 100 3HB GLN 100 7.496 -9.364 -8.859 745 HG2 GLN 100 2HG GLN 100 9.518 -11.076 -9.605 746 HG3 GLN 100 3HG GLN 100 8.761 -10.640 -11.137 747 HE21 GLN 100 2HE2 GLN 100 10.570 -7.713 -11.262 748 HE22 GLN 100 1HE2 GLN 100 9.952 -9.124 -12.044 749 H LEU 101 H LEU 101 4.766 -11.648 -8.449 750 HA LEU 101 HA LEU 101 4.393 -10.045 -6.049 751 HB2 LEU 101 2HB LEU 101 2.995 -9.741 -8.098 752 HB3 LEU 101 3HB LEU 101 2.309 -11.337 -7.800 753 HG LEU 101 HG LEU 101 1.846 -10.085 -5.421 754 HD11 LEU 101 1HD1 LEU 101 0.720 -7.909 -6.311 755 HD12 LEU 101 2HD1 LEU 101 1.931 -8.034 -7.586 756 HD13 LEU 101 3HD1 LEU 101 2.435 -7.914 -5.901 757 HD21 LEU 101 3HD2 LEU 101 -0.434 -9.552 -6.830 758 HD22 LEU 101 1HD2 LEU 101 -0.024 -11.106 -6.103 759 HD23 LEU 101 2HD2 LEU 101 0.322 -10.812 -7.808 760 H LYS 102 H LYS 102 4.345 -13.352 -7.058 761 HA LYS 102 HA LYS 102 3.002 -14.224 -4.619 762 HB2 LYS 102 2HB LYS 102 2.244 -15.460 -6.453 763 HB3 LYS 102 3HB LYS 102 3.852 -15.591 -7.152 764 HG2 LYS 102 2HG LYS 102 3.689 -16.845 -4.543 765 HG3 LYS 102 3HG LYS 102 2.533 -17.523 -5.693 766 HD2 LYS 102 2HD LYS 102 4.264 -18.788 -6.362 767 HD3 LYS 102 3HD LYS 102 4.784 -17.336 -7.219 768 HE2 LYS 102 2HE LYS 102 6.585 -17.129 -5.927 769 HE3 LYS 102 3HE LYS 102 5.623 -17.276 -4.457 770 HZ1 LYS 102 3HZ LYS 102 7.438 -19.075 -5.279 771 HZ2 LYS 102 1HZ LYS 102 6.012 -19.754 -5.887 772 HZ3 LYS 102 2HZ LYS 102 6.154 -19.424 -4.234 773 H ALA 103 H ALA 103 6.158 -14.329 -6.176 774 HA ALA 103 HA ALA 103 7.363 -16.004 -4.194 775 HB1 ALA 103 1HB ALA 103 9.391 -15.677 -5.349 776 HB2 ALA 103 2HB ALA 103 8.137 -15.705 -6.589 777 HB3 ALA 103 3HB ALA 103 8.829 -14.168 -6.070 778 H GLN 104 H GLN 104 6.748 -12.616 -4.499 779 HA GLN 104 HA GLN 104 8.553 -12.018 -2.262 780 HB2 GLN 104 2HB GLN 104 7.085 -10.104 -4.084 781 HB3 GLN 104 3HB GLN 104 8.279 -9.673 -2.867 782 HG2 GLN 104 2HG GLN 104 9.175 -11.618 -4.879 783 HG3 GLN 104 3HG GLN 104 8.822 -10.001 -5.485 784 HE21 GLN 104 2HE2 GLN 104 12.158 -9.324 -4.710 785 HE22 GLN 104 1HE2 GLN 104 11.001 -9.647 -5.951 786 H ALA 105 H ALA 105 5.667 -13.209 -2.407 787 HA ALA 105 HA ALA 105 4.460 -11.362 -0.454 788 HB1 ALA 105 1HB ALA 105 2.365 -12.845 -1.084 789 HB2 ALA 105 2HB ALA 105 2.853 -11.465 -2.069 790 HB3 ALA 105 3HB ALA 105 3.293 -13.100 -2.562 791 H GLY 106 H GLY 106 6.476 -13.545 -0.024 792 HA2 GLY 106 2HA GLY 106 5.491 -14.534 2.409 793 HA3 GLY 106 3HA GLY 106 5.265 -15.777 1.187 794 H GLY 107 H GLY 107 7.413 -15.847 -0.301 795 HA2 GLY 107 2HA GLY 107 9.777 -15.968 -0.328 796 HA3 GLY 107 3HA GLY 107 9.784 -15.737 1.414 797 H THR 108 H THR 108 10.682 -17.871 -0.747 798 HA THR 108 HA THR 108 11.185 -20.092 -0.679 799 HB THR 108 HB THR 108 10.041 -20.374 2.074 800 HG1 THR 108 HG1 THR 108 11.276 -18.787 2.723 801 HG21 THR 108 3HG2 THR 108 12.441 -21.549 2.140 802 HG22 THR 108 1HG2 THR 108 12.136 -21.650 0.407 803 HG23 THR 108 2HG2 THR 108 10.998 -22.371 1.546 804 H ASN 109 H ASN 109 9.150 -19.842 -2.154 805 HA ASN 109 HA ASN 109 7.189 -20.696 -2.939 806 HB2 ASN 109 2HB ASN 109 7.931 -23.001 -1.121 807 HB3 ASN 109 3HB ASN 109 6.792 -23.070 -2.463 808 HD21 ASN 109 2HD2 ASN 109 10.488 -24.011 -3.189 809 HD22 ASN 109 1HD2 ASN 109 9.631 -24.149 -1.695 810 H GLU 110 H GLU 110 6.987 -18.982 -0.647 811 HA GLU 110 HA GLU 110 5.416 -18.227 0.815 812 HB2 GLU 110 2HB GLU 110 3.997 -19.487 -1.211 813 HB3 GLU 110 3HB GLU 110 3.335 -20.190 0.258 814 HG2 GLU 110 2HG GLU 110 2.650 -18.092 1.077 815 HG3 GLU 110 3HG GLU 110 3.609 -17.227 -0.123 Start of MODEL 17 1 H1 MET 1 H MET 1 3.127 -0.470 0.707 2 HA MET 1 HA MET 1 3.332 1.650 -1.330 3 HB2 MET 1 2HB MET 1 5.122 -0.582 -0.613 4 HB3 MET 1 3HB MET 1 4.862 -0.360 -2.338 5 HG2 MET 1 2HG MET 1 6.623 1.022 -2.107 6 HG3 MET 1 3HG MET 1 5.358 2.169 -1.672 7 HE1 MET 1 3HE MET 1 8.938 1.355 -0.351 8 HE2 MET 1 1HE MET 1 8.128 2.658 -1.222 9 HE3 MET 1 2HE MET 1 8.564 2.869 0.474 10 H ILE 2 H ILE 2 1.784 1.536 -2.804 11 HA ILE 2 HA ILE 2 1.148 -0.946 -4.108 12 HB ILE 2 HB ILE 2 -0.306 -1.102 -2.130 13 HG12 ILE 2 2HG1 ILE 2 -1.694 -0.594 -4.767 14 HG13 ILE 2 3HG1 ILE 2 -1.097 -2.134 -4.159 15 HG21 ILE 2 1HG2 ILE 2 -2.142 1.013 -2.922 16 HG22 ILE 2 2HG2 ILE 2 -1.519 0.591 -1.328 17 HG23 ILE 2 3HG2 ILE 2 -0.571 1.621 -2.400 18 HD11 ILE 2 3HD1 ILE 2 -3.173 -2.491 -3.465 19 HD12 ILE 2 1HD1 ILE 2 -2.838 -1.313 -2.196 20 HD13 ILE 2 2HD1 ILE 2 -3.625 -0.801 -3.689 21 HA PRO 3 HA PRO 3 0.736 2.995 -6.583 22 HB2 PRO 3 2HB PRO 3 2.484 2.258 -8.525 23 HB3 PRO 3 3HB PRO 3 2.985 3.082 -7.044 24 HG2 PRO 3 2HG PRO 3 3.093 0.168 -7.719 25 HG3 PRO 3 3HG PRO 3 4.311 1.176 -6.915 26 HD2 PRO 3 2HD PRO 3 2.656 -0.476 -5.550 27 HD3 PRO 3 3HD PRO 3 3.245 1.056 -4.875 28 H SER 4 H SER 4 -0.740 3.172 -8.169 29 HA SER 4 HA SER 4 -2.348 2.581 -9.669 30 HB2 SER 4 2HB SER 4 -1.597 1.532 -11.600 31 HB3 SER 4 3HB SER 4 -0.079 2.082 -10.890 32 HG SER 4 HG SER 4 0.506 0.079 -10.737 33 H PHE 5 H PHE 5 -2.342 1.250 -7.091 34 HA PHE 5 HA PHE 5 -3.234 -0.546 -5.987 35 HB2 PHE 5 2HB PHE 5 -5.058 0.286 -8.113 36 HB3 PHE 5 3HB PHE 5 -5.321 -1.377 -7.598 37 HD1 PHE 5 HD1 PHE 5 -6.562 -1.824 -5.693 38 HD2 PHE 5 HD2 PHE 5 -4.964 2.078 -6.277 39 HE1 PHE 5 HE1 PHE 5 -7.820 -1.020 -3.737 40 HE2 PHE 5 HE2 PHE 5 -6.218 2.888 -4.322 41 HZ PHE 5 HZ PHE 5 -7.648 1.338 -3.048 42 H ALA 6 H ALA 6 -1.412 -1.931 -6.288 43 HA ALA 6 HA ALA 6 -0.464 -3.945 -6.771 44 HB1 ALA 6 1HB ALA 6 -1.831 -5.765 -7.300 45 HB2 ALA 6 2HB ALA 6 -2.894 -4.668 -6.418 46 HB3 ALA 6 3HB ALA 6 -2.986 -4.760 -8.176 47 HA PRO 7 HA PRO 7 0.563 -2.445 -10.991 48 HB2 PRO 7 2HB PRO 7 3.247 -2.612 -10.622 49 HB3 PRO 7 3HB PRO 7 2.295 -1.208 -10.125 50 HG2 PRO 7 2HG PRO 7 3.284 -3.505 -8.480 51 HG3 PRO 7 3HG PRO 7 3.274 -1.775 -8.093 52 HD2 PRO 7 2HD PRO 7 1.421 -3.495 -7.124 53 HD3 PRO 7 3HD PRO 7 1.052 -1.796 -7.482 54 H GLY 8 H GLY 8 0.799 -3.751 -12.710 55 HA2 GLY 8 2HA GLY 8 2.067 -5.539 -13.795 56 HA3 GLY 8 3HA GLY 8 2.013 -6.408 -12.269 57 H THR 9 H THR 9 -0.838 -4.745 -13.229 58 HA THR 9 HA THR 9 -2.179 -7.308 -13.624 59 HB THR 9 HB THR 9 -3.639 -4.696 -13.635 60 HG1 THR 9 HG1 THR 9 -2.907 -6.026 -11.232 61 HG21 THR 9 3HG2 THR 9 -4.971 -6.641 -14.021 62 HG22 THR 9 1HG2 THR 9 -5.290 -6.109 -12.371 63 HG23 THR 9 2HG2 THR 9 -4.232 -7.489 -12.664 64 H LEU 10 H LEU 10 -2.967 -7.993 -15.526 65 HA LEU 10 HA LEU 10 -2.460 -6.343 -17.879 66 HB2 LEU 10 2HB LEU 10 -1.812 -8.839 -17.558 67 HB3 LEU 10 3HB LEU 10 -3.500 -9.147 -17.959 68 HG LEU 10 HG LEU 10 -1.573 -7.664 -19.744 69 HD11 LEU 10 1HD1 LEU 10 -1.111 -9.604 -20.881 70 HD12 LEU 10 2HD1 LEU 10 -2.563 -10.420 -20.303 71 HD13 LEU 10 3HD1 LEU 10 -1.187 -10.197 -19.222 72 HD21 LEU 10 3HD2 LEU 10 -3.618 -6.985 -20.494 73 HD22 LEU 10 1HD2 LEU 10 -4.439 -8.432 -19.911 74 HD23 LEU 10 2HD2 LEU 10 -3.470 -8.501 -21.383 75 H VAL 11 H VAL 11 -4.034 -5.114 -18.649 76 HA VAL 11 HA VAL 11 -6.810 -6.084 -18.441 77 HB VAL 11 HB VAL 11 -7.502 -3.676 -18.386 78 HG11 VAL 11 1HG1 VAL 11 -5.951 -3.758 -15.957 79 HG12 VAL 11 2HG1 VAL 11 -7.691 -3.941 -16.185 80 HG13 VAL 11 3HG1 VAL 11 -6.630 -5.343 -16.326 81 HG21 VAL 11 3HG2 VAL 11 -5.797 -2.034 -17.650 82 HG22 VAL 11 1HG2 VAL 11 -4.552 -3.252 -17.928 83 HG23 VAL 11 2HG2 VAL 11 -5.511 -2.647 -19.279 84 H TRP 12 H TRP 12 -8.184 -4.490 -20.002 85 HA TRP 12 HA TRP 12 -6.845 -4.632 -22.625 86 HB2 TRP 12 2HB TRP 12 -9.560 -5.448 -21.733 87 HB3 TRP 12 3HB TRP 12 -9.430 -4.721 -23.332 88 HD1 TRP 12 HD1 TRP 12 -6.452 -6.775 -22.308 89 HE1 TRP 12 HE1 TRP 12 -6.449 -8.997 -23.608 90 HE3 TRP 12 HE3 TRP 12 -11.130 -6.524 -24.353 91 HZ2 TRP 12 HZ2 TRP 12 -8.199 -10.450 -25.279 92 HZ3 TRP 12 HZ3 TRP 12 -11.890 -8.371 -25.791 93 HH2 TRP 12 HH2 TRP 12 -10.453 -10.292 -26.244 94 H LEU 13 H LEU 13 -6.810 -2.847 -23.863 95 HA LEU 13 HA LEU 13 -8.324 -0.506 -22.909 96 HB2 LEU 13 2HB LEU 13 -5.668 -0.672 -22.937 97 HB3 LEU 13 3HB LEU 13 -5.915 -0.160 -24.605 98 HG LEU 13 HG LEU 13 -7.449 1.623 -23.164 99 HD11 LEU 13 1HD1 LEU 13 -5.634 2.471 -21.535 100 HD12 LEU 13 2HD1 LEU 13 -5.040 0.812 -21.586 101 HD13 LEU 13 3HD1 LEU 13 -6.681 1.144 -21.032 102 HD21 LEU 13 3HD2 LEU 13 -5.835 3.241 -23.850 103 HD22 LEU 13 1HD2 LEU 13 -5.923 2.007 -25.107 104 HD23 LEU 13 2HD2 LEU 13 -4.573 2.014 -23.972 105 H LYS 14 H LYS 14 -9.935 0.028 -24.210 106 HA LYS 14 HA LYS 14 -9.721 -0.603 -27.074 107 HB2 LYS 14 2HB LYS 14 -11.655 -1.466 -25.562 108 HB3 LYS 14 3HB LYS 14 -12.276 0.174 -25.703 109 HG2 LYS 14 2HG LYS 14 -11.534 -1.294 -28.183 110 HG3 LYS 14 3HG LYS 14 -13.036 -1.711 -27.355 111 HD2 LYS 14 2HD LYS 14 -12.854 1.123 -27.498 112 HD3 LYS 14 3HD LYS 14 -12.523 0.467 -29.103 113 HE2 LYS 14 2HE LYS 14 -14.594 -0.788 -29.048 114 HE3 LYS 14 3HE LYS 14 -14.909 -0.247 -27.400 115 HZ1 LYS 14 3HZ LYS 14 -14.777 2.088 -28.432 116 HZ2 LYS 14 1HZ LYS 14 -16.180 1.175 -28.675 117 HZ3 LYS 14 2HZ LYS 14 -15.027 1.298 -29.906 118 H GLN 15 H GLN 15 -8.900 1.105 -28.123 119 HA GLN 15 HA GLN 15 -9.188 3.793 -27.308 120 HB2 GLN 15 2HB GLN 15 -7.909 2.344 -29.463 121 HB3 GLN 15 3HB GLN 15 -8.653 3.824 -30.054 122 HG2 GLN 15 2HG GLN 15 -7.303 4.454 -27.653 123 HG3 GLN 15 3HG GLN 15 -6.210 3.490 -28.644 124 HE21 GLN 15 2HE2 GLN 15 -7.177 7.286 -29.667 125 HE22 GLN 15 1HE2 GLN 15 -7.928 6.474 -28.340 126 H ASP 16 H ASP 16 -10.132 5.503 -28.784 127 HA ASP 16 HA ASP 16 -12.915 5.112 -28.996 128 HB2 ASP 16 2HB ASP 16 -11.004 7.281 -29.675 129 HB3 ASP 16 3HB ASP 16 -12.568 7.323 -30.485 130 H ARG 17 H ARG 17 -10.435 5.487 -31.528 131 HA ARG 17 HA ARG 17 -12.354 4.466 -33.496 132 HB2 ARG 17 2HB ARG 17 -10.008 6.249 -33.601 133 HB3 ARG 17 3HB ARG 17 -10.146 5.124 -34.945 134 HG2 ARG 17 2HG ARG 17 -12.615 5.987 -35.021 135 HG3 ARG 17 3HG ARG 17 -11.934 7.369 -34.159 136 HD2 ARG 17 2HD ARG 17 -10.495 7.906 -35.927 137 HD3 ARG 17 3HD ARG 17 -10.686 6.322 -36.678 138 HE ARG 17 HE ARG 17 -13.173 7.644 -36.601 139 HH11 ARG 17 1HH1 ARG 17 -10.093 7.758 -38.219 140 HH12 ARG 17 2HH1 ARG 17 -10.734 8.458 -39.669 141 HH21 ARG 17 2HH2 ARG 17 -12.973 8.917 -39.830 142 HH22 ARG 17 1HH2 ARG 17 -14.029 8.565 -38.504 143 H PHE 18 H PHE 18 -9.365 3.705 -31.885 144 HA PHE 18 HA PHE 18 -8.765 1.478 -33.637 145 HB2 PHE 18 2HB PHE 18 -7.366 2.988 -31.595 146 HB3 PHE 18 3HB PHE 18 -7.179 1.255 -31.343 147 HD1 PHE 18 HD1 PHE 18 -7.429 3.239 -34.483 148 HD2 PHE 18 HD2 PHE 18 -5.043 0.713 -32.024 149 HE1 PHE 18 HE1 PHE 18 -5.699 3.177 -36.231 150 HE2 PHE 18 HE2 PHE 18 -3.309 0.648 -33.768 151 HZ PHE 18 HZ PHE 18 -3.635 1.881 -35.875 152 HA PRO 19 HA PRO 19 -10.854 -1.699 -31.449 153 HB2 PRO 19 2HB PRO 19 -9.113 -3.769 -31.680 154 HB3 PRO 19 3HB PRO 19 -10.067 -3.161 -33.038 155 HG2 PRO 19 2HG PRO 19 -7.213 -2.602 -32.327 156 HG3 PRO 19 3HG PRO 19 -7.925 -2.939 -33.916 157 HD2 PRO 19 2HD PRO 19 -7.320 -0.431 -33.093 158 HD3 PRO 19 3HD PRO 19 -8.685 -0.778 -34.173 159 H TRP 20 H TRP 20 -10.116 -3.687 -29.876 160 HA TRP 20 HA TRP 20 -8.900 -2.332 -27.579 161 HB2 TRP 20 2HB TRP 20 -9.915 -4.256 -26.285 162 HB3 TRP 20 3HB TRP 20 -11.068 -3.181 -27.072 163 HD1 TRP 20 HD1 TRP 20 -9.739 -6.753 -27.191 164 HE1 TRP 20 HE1 TRP 20 -11.282 -8.163 -28.691 165 HE3 TRP 20 HE3 TRP 20 -12.665 -3.014 -29.088 166 HZ2 TRP 20 HZ2 TRP 20 -13.453 -7.747 -30.447 167 HZ3 TRP 20 HZ3 TRP 20 -14.452 -3.604 -30.672 168 HH2 TRP 20 HH2 TRP 20 -14.836 -5.922 -31.337 169 H TRP 21 H TRP 21 -6.886 -2.795 -27.021 170 HA TRP 21 HA TRP 21 -5.799 -5.438 -27.742 171 HB2 TRP 21 2HB TRP 21 -4.526 -2.716 -27.920 172 HB3 TRP 21 3HB TRP 21 -3.550 -4.179 -27.817 173 HD1 TRP 21 HD1 TRP 21 -5.665 -5.869 -29.741 174 HE1 TRP 21 HE1 TRP 21 -5.497 -5.467 -32.278 175 HE3 TRP 21 HE3 TRP 21 -3.237 -1.371 -29.689 176 HZ2 TRP 21 HZ2 TRP 21 -4.469 -3.502 -34.025 177 HZ3 TRP 21 HZ3 TRP 21 -2.697 -0.297 -31.836 178 HH2 TRP 21 HH2 TRP 21 -3.301 -1.343 -33.958 179 HA PRO 22 HA PRO 22 -4.733 -6.014 -23.523 180 HB2 PRO 22 2HB PRO 22 -2.465 -7.488 -23.749 181 HB3 PRO 22 3HB PRO 22 -4.071 -8.136 -24.104 182 HG2 PRO 22 2HG PRO 22 -1.984 -7.109 -25.989 183 HG3 PRO 22 3HG PRO 22 -3.011 -8.548 -26.132 184 HD2 PRO 22 2HD PRO 22 -3.549 -6.239 -27.440 185 HD3 PRO 22 3HD PRO 22 -4.825 -7.334 -26.872 186 H GLY 23 H GLY 23 -3.487 -5.153 -21.893 187 HA2 GLY 23 2HA GLY 23 -0.912 -3.969 -22.434 188 HA3 GLY 23 3HA GLY 23 -2.185 -2.789 -22.162 189 H PHE 24 H PHE 24 0.306 -3.890 -20.647 190 HA PHE 24 HA PHE 24 -0.868 -4.772 -18.156 191 HB2 PHE 24 2HB PHE 24 2.005 -3.960 -18.481 192 HB3 PHE 24 3HB PHE 24 1.314 -5.183 -17.420 193 HD1 PHE 24 HD1 PHE 24 3.077 -4.632 -20.397 194 HD2 PHE 24 HD2 PHE 24 0.158 -7.192 -18.654 195 HE1 PHE 24 HE1 PHE 24 3.610 -6.366 -22.059 196 HE2 PHE 24 HE2 PHE 24 0.687 -8.931 -20.312 197 HZ PHE 24 HZ PHE 24 2.416 -8.520 -22.018 198 H VAL 25 H VAL 25 -1.351 -3.545 -16.444 199 HA VAL 25 HA VAL 25 -1.118 -0.675 -16.676 200 HB VAL 25 HB VAL 25 -2.284 -2.364 -14.459 201 HG11 VAL 25 1HG1 VAL 25 -2.093 -0.452 -13.295 202 HG12 VAL 25 2HG1 VAL 25 -1.839 0.524 -14.743 203 HG13 VAL 25 3HG1 VAL 25 -3.474 0.068 -14.261 204 HG21 VAL 25 3HG2 VAL 25 -3.248 -1.955 -17.017 205 HG22 VAL 25 1HG2 VAL 25 -4.188 -2.472 -15.617 206 HG23 VAL 25 2HG2 VAL 25 -4.115 -0.764 -16.048 207 H MET 26 H MET 26 0.613 0.407 -16.028 208 HA MET 26 HA MET 26 1.999 -0.462 -13.592 209 HB2 MET 26 2HB MET 26 3.475 0.498 -16.041 210 HB3 MET 26 3HB MET 26 4.160 -0.182 -14.571 211 HG2 MET 26 2HG MET 26 2.476 -2.168 -15.455 212 HG3 MET 26 3HG MET 26 3.142 -1.505 -16.946 213 HE1 MET 26 3HE MET 26 3.634 -4.108 -16.934 214 HE2 MET 26 1HE MET 26 5.024 -3.446 -17.795 215 HE3 MET 26 2HE MET 26 5.261 -4.671 -16.548 216 H ASP 27 H ASP 27 2.755 1.167 -12.297 217 HA ASP 27 HA ASP 27 1.739 3.823 -12.883 218 HB2 ASP 27 2HB ASP 27 1.867 2.390 -10.574 219 HB3 ASP 27 3HB ASP 27 3.297 3.405 -10.412 220 HA PRO 28 HA PRO 28 5.576 5.444 -14.319 221 HB2 PRO 28 2HB PRO 28 5.082 8.080 -13.897 222 HB3 PRO 28 3HB PRO 28 4.336 7.161 -15.211 223 HG2 PRO 28 2HG PRO 28 3.206 7.906 -12.541 224 HG3 PRO 28 3HG PRO 28 2.431 7.949 -14.135 225 HD2 PRO 28 2HD PRO 28 2.008 5.945 -12.364 226 HD3 PRO 28 3HD PRO 28 1.988 5.687 -14.120 227 H ASP 29 H ASP 29 4.317 6.490 -11.181 228 HA ASP 29 HA ASP 29 6.711 5.990 -9.807 229 HB2 ASP 29 2HB ASP 29 7.108 8.203 -11.243 230 HB3 ASP 29 3HB ASP 29 6.299 8.939 -9.862 231 H GLU 30 H GLU 30 4.261 5.211 -9.192 232 HA GLU 30 HA GLU 30 2.613 5.203 -7.616 233 HB2 GLU 30 2HB GLU 30 4.671 6.721 -6.003 234 HB3 GLU 30 3HB GLU 30 3.297 5.831 -5.362 235 HG2 GLU 30 2HG GLU 30 4.354 3.871 -5.487 236 HG3 GLU 30 3HG GLU 30 5.036 4.229 -7.072 237 H VAL 31 H VAL 31 1.133 6.524 -8.702 238 HA VAL 31 HA VAL 31 1.143 9.378 -8.037 239 HB VAL 31 HB VAL 31 -0.619 9.595 -9.748 240 HG11 VAL 31 1HG1 VAL 31 0.926 9.812 -11.353 241 HG12 VAL 31 2HG1 VAL 31 2.066 9.241 -10.133 242 HG13 VAL 31 3HG1 VAL 31 1.367 8.106 -11.289 243 HG21 VAL 31 3HG2 VAL 31 -0.122 6.714 -10.447 244 HG22 VAL 31 1HG2 VAL 31 -1.447 7.218 -9.398 245 HG23 VAL 31 2HG2 VAL 31 -1.374 7.792 -11.063 246 H ARG 32 H ARG 32 0.243 6.926 -6.365 247 HA ARG 32 HA ARG 32 -2.552 7.603 -5.897 248 HB2 ARG 32 2HB ARG 32 -2.526 5.695 -4.340 249 HB3 ARG 32 3HB ARG 32 -1.960 5.243 -5.942 250 HG2 ARG 32 2HG ARG 32 -0.239 4.297 -4.902 251 HG3 ARG 32 3HG ARG 32 0.360 5.937 -4.645 252 HD2 ARG 32 2HD ARG 32 -0.992 5.971 -2.518 253 HD3 ARG 32 3HD ARG 32 -1.268 4.247 -2.759 254 HE ARG 32 HE ARG 32 1.504 4.896 -2.849 255 HH11 ARG 32 1HH1 ARG 32 -1.171 4.357 -0.686 256 HH12 ARG 32 2HH1 ARG 32 -0.170 3.855 0.636 257 HH21 ARG 32 2HH2 ARG 32 2.107 3.788 0.391 258 HH22 ARG 32 1HH2 ARG 32 2.832 4.237 -1.115 259 H ASP 33 H ASP 33 0.591 7.912 -4.379 260 HA ASP 33 HA ASP 33 -0.646 9.243 -2.070 261 HB2 ASP 33 2HB ASP 33 0.884 7.407 -1.523 262 HB3 ASP 33 3HB ASP 33 2.171 8.198 -2.429 263 H ILE 34 H ILE 34 1.606 9.692 -4.717 264 HA ILE 34 HA ILE 34 1.851 12.533 -3.970 265 HB ILE 34 HB ILE 34 3.743 10.966 -5.723 266 HG12 ILE 34 2HG1 ILE 34 5.079 11.722 -3.398 267 HG13 ILE 34 3HG1 ILE 34 3.518 11.142 -2.828 268 HG21 ILE 34 1HG2 ILE 34 3.653 13.778 -4.721 269 HG22 ILE 34 2HG2 ILE 34 5.204 13.011 -5.057 270 HG23 ILE 34 3HG2 ILE 34 4.005 13.175 -6.340 271 HD11 ILE 34 3HD1 ILE 34 5.619 9.552 -3.207 272 HD12 ILE 34 1HD1 ILE 34 3.954 9.006 -3.402 273 HD13 ILE 34 2HD1 ILE 34 4.904 9.462 -4.817 274 H THR 35 H THR 35 0.514 13.737 -5.141 275 HA THR 35 HA THR 35 0.030 13.000 -7.949 276 HB THR 35 HB THR 35 -2.045 13.064 -6.798 277 HG1 THR 35 HG1 THR 35 -3.038 14.939 -7.810 278 HG21 THR 35 3HG2 THR 35 -2.432 15.622 -5.814 279 HG22 THR 35 1HG2 THR 35 -0.784 15.233 -5.326 280 HG23 THR 35 2HG2 THR 35 -2.115 14.176 -4.856 281 H LEU 36 H LEU 36 1.489 14.050 -9.170 282 HA LEU 36 HA LEU 36 1.832 16.941 -8.714 283 HB2 LEU 36 2HB LEU 36 3.732 14.800 -9.223 284 HB3 LEU 36 3HB LEU 36 3.911 16.143 -10.350 285 HG LEU 36 HG LEU 36 4.018 17.637 -8.278 286 HD11 LEU 36 1HD1 LEU 36 5.009 15.296 -6.773 287 HD12 LEU 36 2HD1 LEU 36 3.260 15.468 -6.911 288 HD13 LEU 36 3HD1 LEU 36 4.219 16.766 -6.201 289 HD21 LEU 36 3HD2 LEU 36 5.982 16.093 -9.639 290 HD22 LEU 36 1HD2 LEU 36 6.436 16.205 -7.939 291 HD23 LEU 36 2HD2 LEU 36 6.153 17.673 -8.874 292 HA PRO 37 HA PRO 37 0.154 17.771 -12.685 293 HB2 PRO 37 2HB PRO 37 1.573 19.973 -13.399 294 HB3 PRO 37 3HB PRO 37 0.318 20.000 -12.154 295 HG2 PRO 37 2HG PRO 37 3.292 19.842 -11.844 296 HG3 PRO 37 3HG PRO 37 2.122 20.812 -10.931 297 HD2 PRO 37 2HD PRO 37 3.148 18.493 -9.981 298 HD3 PRO 37 3HD PRO 37 1.503 19.038 -9.596 299 H GLU 38 H GLU 38 0.463 16.904 -14.638 300 HA GLU 38 HA GLU 38 2.880 17.137 -16.108 301 HB2 GLU 38 2HB GLU 38 3.324 15.297 -14.331 302 HB3 GLU 38 3HB GLU 38 2.277 14.300 -15.331 303 HG2 GLU 38 2HG GLU 38 4.235 13.738 -16.287 304 HG3 GLU 38 3HG GLU 38 3.928 15.200 -17.224 305 H GLY 39 H GLY 39 0.357 14.625 -15.807 306 HA2 GLY 39 2HA GLY 39 -1.569 14.997 -17.426 307 HA3 GLY 39 3HA GLY 39 -0.305 15.117 -18.640 308 H SER 40 H SER 40 0.812 12.914 -16.511 309 HA SER 40 HA SER 40 -0.611 10.648 -17.716 310 HB2 SER 40 2HB SER 40 1.500 9.493 -18.170 311 HB3 SER 40 3HB SER 40 1.440 11.027 -19.039 312 HG SER 40 HG SER 40 3.449 10.534 -17.879 313 H ASP 41 H ASP 41 -1.516 9.716 -15.997 314 HA ASP 41 HA ASP 41 0.064 9.444 -13.534 315 HB2 ASP 41 2HB ASP 41 -1.868 9.563 -12.320 316 HB3 ASP 41 3HB ASP 41 -2.403 10.454 -13.742 317 H VAL 42 H VAL 42 -1.575 7.669 -16.041 318 HA VAL 42 HA VAL 42 -0.696 5.151 -14.781 319 HB VAL 42 HB VAL 42 -3.097 5.569 -16.568 320 HG11 VAL 42 1HG1 VAL 42 -3.420 3.097 -15.595 321 HG12 VAL 42 2HG1 VAL 42 -2.594 3.429 -17.119 322 HG13 VAL 42 3HG1 VAL 42 -1.658 3.154 -15.648 323 HG21 VAL 42 3HG2 VAL 42 -4.320 5.848 -14.730 324 HG22 VAL 42 1HG2 VAL 42 -3.626 4.408 -13.987 325 HG23 VAL 42 2HG2 VAL 42 -2.817 5.966 -13.814 326 H TRP 43 H TRP 43 0.453 3.735 -15.999 327 HA TRP 43 HA TRP 43 1.028 4.540 -18.776 328 HB2 TRP 43 2HB TRP 43 2.829 4.405 -16.718 329 HB3 TRP 43 3HB TRP 43 3.004 2.812 -17.448 330 HD1 TRP 43 HD1 TRP 43 2.449 3.962 -20.496 331 HE1 TRP 43 HE1 TRP 43 4.401 5.164 -21.667 332 HE3 TRP 43 HE3 TRP 43 5.249 5.154 -16.388 333 HZ2 TRP 43 HZ2 TRP 43 6.809 6.447 -20.944 334 HZ3 TRP 43 HZ3 TRP 43 7.363 6.368 -16.714 335 HH2 TRP 43 HH2 TRP 43 8.126 7.000 -18.946 336 H VAL 44 H VAL 44 0.103 3.209 -20.179 337 HA VAL 44 HA VAL 44 -0.349 0.411 -19.431 338 HB VAL 44 HB VAL 44 -1.429 1.881 -21.837 339 HG11 VAL 44 1HG1 VAL 44 -2.990 -0.329 -20.826 340 HG12 VAL 44 2HG1 VAL 44 -2.355 -0.048 -22.449 341 HG13 VAL 44 3HG1 VAL 44 -1.350 -0.835 -21.231 342 HG21 VAL 44 3HG2 VAL 44 -3.563 1.549 -20.203 343 HG22 VAL 44 1HG2 VAL 44 -2.288 1.856 -19.024 344 HG23 VAL 44 2HG2 VAL 44 -2.610 3.030 -20.299 345 H CYS 45 H CYS 45 1.169 -0.983 -20.022 346 HA CYS 45 HA CYS 45 2.791 -0.431 -22.395 347 HB2 CYS 45 2HB CYS 45 3.213 -2.616 -20.353 348 HB3 CYS 45 3HB CYS 45 4.371 -2.012 -21.533 349 HG CYS 45 HG CYS 45 4.832 -1.266 -18.727 350 H CYS 46 H CYS 46 1.613 -1.085 -24.132 351 HA CYS 46 HA CYS 46 0.118 -3.533 -24.141 352 HB2 CYS 46 2HB CYS 46 0.857 -1.610 -26.353 353 HB3 CYS 46 3HB CYS 46 -0.184 -3.011 -26.578 354 HG CYS 46 HG CYS 46 -1.480 -1.463 -24.083 355 H LEU 47 H LEU 47 0.486 -5.043 -26.120 356 HA LEU 47 HA LEU 47 2.984 -6.321 -25.731 357 HB2 LEU 47 2HB LEU 47 2.100 -8.034 -26.897 358 HB3 LEU 47 3HB LEU 47 0.600 -7.160 -26.591 359 HG LEU 47 HG LEU 47 2.218 -7.041 -29.137 360 HD11 LEU 47 1HD1 LEU 47 0.675 -9.110 -28.325 361 HD12 LEU 47 2HD1 LEU 47 0.919 -8.651 -30.010 362 HD13 LEU 47 3HD1 LEU 47 -0.519 -8.106 -29.147 363 HD21 LEU 47 3HD2 LEU 47 -0.303 -6.086 -29.653 364 HD22 LEU 47 1HD2 LEU 47 1.143 -5.103 -29.418 365 HD23 LEU 47 2HD2 LEU 47 0.053 -5.407 -28.064 366 HA PRO 48 HA PRO 48 5.605 -4.517 -28.753 367 HB2 PRO 48 2HB PRO 48 6.969 -6.670 -29.688 368 HB3 PRO 48 3HB PRO 48 7.232 -5.991 -28.078 369 HG2 PRO 48 2HG PRO 48 5.601 -8.367 -28.888 370 HG3 PRO 48 3HG PRO 48 6.705 -8.184 -27.512 371 HD2 PRO 48 2HD PRO 48 4.016 -7.987 -27.260 372 HD3 PRO 48 3HD PRO 48 5.141 -7.060 -26.246 373 H ARG 49 H ARG 49 4.558 -3.697 -30.488 374 HA ARG 49 HA ARG 49 4.410 -5.297 -32.877 375 HB2 ARG 49 2HB ARG 49 2.067 -5.097 -33.290 376 HB3 ARG 49 3HB ARG 49 2.254 -5.781 -31.681 377 HG2 ARG 49 2HG ARG 49 0.704 -4.235 -31.162 378 HG3 ARG 49 3HG ARG 49 2.115 -3.182 -31.043 379 HD2 ARG 49 2HD ARG 49 0.704 -1.943 -32.386 380 HD3 ARG 49 3HD ARG 49 1.701 -2.780 -33.576 381 HE ARG 49 HE ARG 49 -0.689 -4.215 -32.928 382 HH11 ARG 49 1HH1 ARG 49 0.630 -1.644 -34.870 383 HH12 ARG 49 2HH1 ARG 49 -0.589 -1.769 -36.096 384 HH21 ARG 49 2HH2 ARG 49 -2.254 -3.331 -35.903 385 HH22 ARG 49 1HH2 ARG 49 -2.298 -4.390 -34.535 386 H ASP 50 H ASP 50 3.849 -2.260 -31.217 387 HA ASP 50 HA ASP 50 4.238 -0.829 -33.762 388 HB2 ASP 50 2HB ASP 50 2.313 -0.486 -31.715 389 HB3 ASP 50 3HB ASP 50 3.385 0.910 -31.643 390 H SER 51 H SER 51 6.139 -1.970 -31.574 391 HA SER 51 HA SER 51 8.242 -1.444 -30.867 392 HB2 SER 51 2HB SER 51 8.182 -0.127 -33.133 393 HB3 SER 51 3HB SER 51 8.067 1.290 -32.089 394 HG SER 51 HG SER 51 10.224 -0.187 -32.694 395 H LEU 52 H LEU 52 6.735 -1.349 -28.875 396 HA LEU 52 HA LEU 52 6.382 -0.476 -26.805 397 HB2 LEU 52 2HB LEU 52 8.717 0.934 -27.814 398 HB3 LEU 52 3HB LEU 52 7.795 1.892 -26.657 399 HG LEU 52 HG LEU 52 7.998 0.032 -25.028 400 HD11 LEU 52 1HD1 LEU 52 8.764 -1.437 -27.268 401 HD12 LEU 52 2HD1 LEU 52 8.775 -1.970 -25.588 402 HD13 LEU 52 3HD1 LEU 52 10.230 -1.274 -26.300 403 HD21 LEU 52 3HD2 LEU 52 9.580 1.976 -25.143 404 HD22 LEU 52 1HD2 LEU 52 10.681 0.939 -26.051 405 HD23 LEU 52 2HD2 LEU 52 10.240 0.520 -24.396 406 H THR 53 H THR 53 4.212 -0.046 -27.606 407 HA THR 53 HA THR 53 3.630 2.733 -28.290 408 HB THR 53 HB THR 53 1.359 0.888 -27.989 409 HG1 THR 53 HG1 THR 53 2.270 -0.682 -29.073 410 HG21 THR 53 3HG2 THR 53 1.149 1.803 -30.460 411 HG22 THR 53 1HG2 THR 53 2.320 2.984 -29.875 412 HG23 THR 53 2HG2 THR 53 0.758 2.819 -29.073 413 H LEU 54 H LEU 54 4.564 2.336 -25.676 414 HA LEU 54 HA LEU 54 2.675 1.965 -23.690 415 HB2 LEU 54 2HB LEU 54 4.832 4.055 -23.561 416 HB3 LEU 54 3HB LEU 54 4.124 3.142 -22.230 417 HG LEU 54 HG LEU 54 5.355 1.363 -24.132 418 HD11 LEU 54 1HD1 LEU 54 7.713 2.235 -23.281 419 HD12 LEU 54 2HD1 LEU 54 6.873 3.783 -23.346 420 HD13 LEU 54 3HD1 LEU 54 6.995 2.786 -24.795 421 HD21 LEU 54 3HD2 LEU 54 6.770 1.088 -21.876 422 HD22 LEU 54 1HD2 LEU 54 5.158 0.404 -22.092 423 HD23 LEU 54 2HD2 LEU 54 5.360 1.931 -21.231 424 H SER 55 H SER 55 0.858 2.983 -23.195 425 HA SER 55 HA SER 55 0.443 5.706 -24.218 426 HB2 SER 55 2HB SER 55 -1.136 3.608 -24.660 427 HB3 SER 55 3HB SER 55 -1.810 4.097 -23.105 428 HG SER 55 HG SER 55 -2.393 5.110 -25.419 429 H ALA 56 H ALA 56 0.790 7.260 -22.786 430 HA ALA 56 HA ALA 56 0.214 6.733 -19.948 431 HB1 ALA 56 1HB ALA 56 1.666 9.165 -20.335 432 HB2 ALA 56 2HB ALA 56 2.155 7.700 -19.484 433 HB3 ALA 56 3HB ALA 56 2.462 7.859 -21.213 434 H ALA 57 H ALA 57 -1.322 7.858 -18.916 435 HA ALA 57 HA ALA 57 -2.219 10.431 -19.883 436 HB1 ALA 57 1HB ALA 57 -4.210 8.173 -19.764 437 HB2 ALA 57 2HB ALA 57 -4.500 9.835 -20.279 438 HB3 ALA 57 3HB ALA 57 -3.483 8.774 -21.255 439 H ASN 58 H ASN 58 -3.256 11.637 -18.322 440 HA ASN 58 HA ASN 58 -3.471 10.368 -15.670 441 HB2 ASN 58 2HB ASN 58 -1.680 11.982 -15.666 442 HB3 ASN 58 3HB ASN 58 -2.713 13.201 -16.406 443 HD21 ASN 58 2HD2 ASN 58 -2.826 14.310 -13.048 444 HD22 ASN 58 1HD2 ASN 58 -1.944 14.440 -14.528 445 H SER 59 H SER 59 -5.573 9.946 -15.364 446 HA SER 59 HA SER 59 -7.828 10.214 -15.195 447 HB2 SER 59 2HB SER 59 -7.081 13.122 -14.799 448 HB3 SER 59 3HB SER 59 -8.603 12.366 -14.325 449 HG SER 59 HG SER 59 -6.031 12.024 -13.233 450 H GLU 60 H GLU 60 -6.656 10.377 -17.844 451 HA GLU 60 HA GLU 60 -8.654 12.091 -19.169 452 HB2 GLU 60 2HB GLU 60 -5.826 11.415 -19.903 453 HB3 GLU 60 3HB GLU 60 -6.980 11.848 -21.156 454 HG2 GLU 60 2HG GLU 60 -7.438 13.943 -19.799 455 HG3 GLU 60 3HG GLU 60 -5.999 13.524 -18.871 456 H ASP 61 H ASP 61 -7.232 8.933 -18.922 457 HA ASP 61 HA ASP 61 -8.722 7.918 -21.208 458 HB2 ASP 61 2HB ASP 61 -6.392 7.155 -20.761 459 HB3 ASP 61 3HB ASP 61 -6.956 6.420 -19.263 460 H GLU 62 H GLU 62 -10.826 7.587 -20.879 461 HA GLU 62 HA GLU 62 -11.635 5.846 -18.693 462 HB2 GLU 62 2HB GLU 62 -12.466 8.699 -18.976 463 HB3 GLU 62 3HB GLU 62 -13.655 7.534 -18.410 464 HG2 GLU 62 2HG GLU 62 -11.616 6.890 -16.803 465 HG3 GLU 62 3HG GLU 62 -11.248 8.592 -17.075 466 H GLY 63 H GLY 63 -11.479 5.946 -21.727 467 HA2 GLY 63 2HA GLY 63 -14.142 5.967 -22.722 468 HA3 GLY 63 3HA GLY 63 -12.739 5.292 -23.536 469 H GLN 64 H GLN 64 -12.323 3.112 -23.410 470 HA GLN 64 HA GLN 64 -14.267 1.495 -21.904 471 HB2 GLN 64 2HB GLN 64 -13.727 1.541 -24.779 472 HB3 GLN 64 3HB GLN 64 -13.623 -0.070 -24.081 473 HG2 GLN 64 2HG GLN 64 -15.903 0.569 -22.988 474 HG3 GLN 64 3HG GLN 64 -15.964 1.760 -24.285 475 HE21 GLN 64 2HE2 GLN 64 -15.985 -2.219 -25.267 476 HE22 GLN 64 1HE2 GLN 64 -15.129 -1.667 -23.871 477 H ILE 65 H ILE 65 -13.358 0.078 -20.574 478 HA ILE 65 HA ILE 65 -10.737 -1.047 -21.236 479 HB ILE 65 HB ILE 65 -10.201 0.802 -19.776 480 HG12 ILE 65 2HG1 ILE 65 -10.020 -1.407 -17.813 481 HG13 ILE 65 3HG1 ILE 65 -9.371 -1.748 -19.414 482 HG21 ILE 65 1HG2 ILE 65 -11.293 0.161 -17.298 483 HG22 ILE 65 2HG2 ILE 65 -11.745 1.510 -18.340 484 HG23 ILE 65 3HG2 ILE 65 -12.626 -0.015 -18.439 485 HD11 ILE 65 3HD1 ILE 65 -7.617 -0.377 -19.134 486 HD12 ILE 65 1HD1 ILE 65 -8.552 0.815 -18.232 487 HD13 ILE 65 2HD1 ILE 65 -7.957 -0.635 -17.423 488 H ARG 66 H ARG 66 -10.388 -3.110 -20.484 489 HA ARG 66 HA ARG 66 -12.589 -4.345 -18.966 490 HB2 ARG 66 2HB ARG 66 -11.905 -4.882 -21.620 491 HB3 ARG 66 3HB ARG 66 -11.208 -6.211 -20.704 492 HG2 ARG 66 2HG ARG 66 -13.255 -7.096 -21.044 493 HG3 ARG 66 3HG ARG 66 -13.629 -6.170 -19.589 494 HD2 ARG 66 2HD ARG 66 -15.227 -5.155 -20.758 495 HD3 ARG 66 3HD ARG 66 -13.949 -4.362 -21.678 496 HE ARG 66 HE ARG 66 -14.333 -6.842 -22.841 497 HH11 ARG 66 1HH1 ARG 66 -16.198 -3.958 -22.271 498 HH12 ARG 66 2HH1 ARG 66 -17.194 -4.168 -23.673 499 HH21 ARG 66 2HH2 ARG 66 -16.875 -5.972 -25.048 500 HH22 ARG 66 1HH2 ARG 66 -15.638 -7.129 -24.690 501 H TYR 67 H TYR 67 -12.029 -6.066 -17.580 502 HA TYR 67 HA TYR 67 -9.266 -5.931 -16.645 503 HB2 TYR 67 2HB TYR 67 -11.591 -7.352 -15.341 504 HB3 TYR 67 3HB TYR 67 -10.056 -6.910 -14.602 505 HD1 TYR 67 HD1 TYR 67 -13.363 -5.749 -15.584 506 HD2 TYR 67 HD2 TYR 67 -9.584 -4.562 -14.032 507 HE1 TYR 67 HE1 TYR 67 -14.346 -3.623 -14.833 508 HE2 TYR 67 HE2 TYR 67 -10.556 -2.433 -13.276 509 HH TYR 67 HH TYR 67 -12.392 -1.201 -13.116 510 H PHE 68 H PHE 68 -7.876 -7.357 -17.430 511 HA PHE 68 HA PHE 68 -8.848 -9.989 -18.286 512 HB2 PHE 68 2HB PHE 68 -7.154 -8.191 -19.527 513 HB3 PHE 68 3HB PHE 68 -6.045 -9.379 -18.849 514 HD1 PHE 68 HD1 PHE 68 -9.338 -9.402 -20.613 515 HD2 PHE 68 HD2 PHE 68 -5.432 -11.060 -20.271 516 HE1 PHE 68 HE1 PHE 68 -9.818 -10.915 -22.494 517 HE2 PHE 68 HE2 PHE 68 -5.906 -12.574 -22.151 518 HZ PHE 68 HZ PHE 68 -8.101 -12.502 -23.266 519 H LEU 69 H LEU 69 -7.987 -11.889 -17.508 520 HA LEU 69 HA LEU 69 -5.718 -12.138 -15.890 521 HB2 LEU 69 2HB LEU 69 -8.053 -11.153 -14.535 522 HB3 LEU 69 3HB LEU 69 -7.607 -12.737 -13.904 523 HG LEU 69 HG LEU 69 -5.267 -11.095 -14.097 524 HD11 LEU 69 1HD1 LEU 69 -7.706 -9.756 -13.140 525 HD12 LEU 69 2HD1 LEU 69 -6.198 -9.076 -13.751 526 HD13 LEU 69 3HD1 LEU 69 -6.300 -9.635 -12.081 527 HD21 LEU 69 3HD2 LEU 69 -6.570 -11.828 -11.521 528 HD22 LEU 69 1HD2 LEU 69 -4.872 -11.905 -11.991 529 HD23 LEU 69 2HD2 LEU 69 -6.008 -13.116 -12.587 530 HA PRO 70 HA PRO 70 -8.337 -16.172 -15.506 531 HB2 PRO 70 2HB PRO 70 -10.896 -16.101 -16.410 532 HB3 PRO 70 3HB PRO 70 -10.453 -15.697 -14.747 533 HG2 PRO 70 2HG PRO 70 -11.013 -13.873 -17.054 534 HG3 PRO 70 3HG PRO 70 -11.537 -13.735 -15.366 535 HD2 PRO 70 2HD PRO 70 -9.454 -12.323 -16.365 536 HD3 PRO 70 3HD PRO 70 -9.514 -12.871 -14.677 537 H ASP 71 H ASP 71 -8.329 -14.082 -18.206 538 HA ASP 71 HA ASP 71 -8.194 -14.398 -20.460 539 HB2 ASP 71 2HB ASP 71 -6.784 -16.784 -19.313 540 HB3 ASP 71 3HB ASP 71 -6.981 -16.636 -21.057 541 H ARG 72 H ARG 72 -10.671 -15.183 -19.231 542 HA ARG 72 HA ARG 72 -11.550 -17.182 -21.203 543 HB2 ARG 72 2HB ARG 72 -11.424 -17.753 -18.565 544 HB3 ARG 72 3HB ARG 72 -13.037 -17.058 -18.648 545 HG2 ARG 72 2HG ARG 72 -13.077 -18.756 -20.769 546 HG3 ARG 72 3HG ARG 72 -12.035 -19.622 -19.638 547 HD2 ARG 72 2HD ARG 72 -14.170 -18.635 -18.115 548 HD3 ARG 72 3HD ARG 72 -14.889 -19.269 -19.594 549 HE ARG 72 HE ARG 72 -13.014 -21.103 -18.527 550 HH11 ARG 72 1HH1 ARG 72 -16.224 -19.850 -18.032 551 HH12 ARG 72 2HH1 ARG 72 -16.806 -21.286 -17.258 552 HH21 ARG 72 2HH2 ARG 72 -15.409 -23.077 -16.960 553 HH22 ARG 72 1HH2 ARG 72 -13.769 -23.000 -17.509 554 H ASP 73 H ASP 73 -11.588 -14.174 -21.023 555 HA ASP 73 HA ASP 73 -14.460 -13.639 -20.929 556 HB2 ASP 73 2HB ASP 73 -12.754 -12.120 -19.819 557 HB3 ASP 73 3HB ASP 73 -12.249 -11.648 -21.439 558 H GLU 74 H GLU 74 -13.414 -15.280 -23.046 559 HA GLU 74 HA GLU 74 -13.599 -15.555 -25.296 560 HB2 GLU 74 2HB GLU 74 -15.268 -13.038 -25.179 561 HB3 GLU 74 3HB GLU 74 -15.263 -14.228 -26.473 562 HG2 GLU 74 2HG GLU 74 -15.919 -15.861 -24.516 563 HG3 GLU 74 3HG GLU 74 -16.480 -14.367 -23.768 564 H GLY 75 H GLY 75 -11.275 -14.325 -24.460 565 HA2 GLY 75 2HA GLY 75 -10.689 -12.649 -26.801 566 HA3 GLY 75 3HA GLY 75 -10.241 -12.063 -25.206 567 H MET 76 H MET 76 -9.440 -14.574 -24.117 568 HA MET 76 HA MET 76 -6.754 -14.623 -24.719 569 HB2 MET 76 2HB MET 76 -7.536 -15.678 -22.722 570 HB3 MET 76 3HB MET 76 -8.539 -16.800 -23.632 571 HG2 MET 76 2HG MET 76 -5.762 -16.988 -24.405 572 HG3 MET 76 3HG MET 76 -5.979 -17.244 -22.676 573 HE1 MET 76 3HE MET 76 -4.775 -19.259 -23.279 574 HE2 MET 76 1HE MET 76 -5.672 -20.778 -23.283 575 HE3 MET 76 2HE MET 76 -5.119 -20.078 -24.804 576 H MET 77 H MET 77 -9.390 -16.247 -26.335 577 HA MET 77 HA MET 77 -7.938 -18.152 -27.789 578 HB2 MET 77 2HB MET 77 -9.860 -18.123 -29.358 579 HB3 MET 77 3HB MET 77 -10.349 -18.255 -27.674 580 HG2 MET 77 2HG MET 77 -10.793 -15.812 -27.674 581 HG3 MET 77 3HG MET 77 -10.449 -15.797 -29.402 582 HE1 MET 77 3HE MET 77 -12.245 -15.857 -31.067 583 HE2 MET 77 1HE MET 77 -11.826 -17.571 -31.084 584 HE3 MET 77 2HE MET 77 -13.519 -17.078 -31.077 585 H GLU 78 H GLU 78 -8.708 -14.773 -28.502 586 HA GLU 78 HA GLU 78 -7.249 -14.902 -31.017 587 HB2 GLU 78 2HB GLU 78 -8.821 -12.711 -29.665 588 HB3 GLU 78 3HB GLU 78 -7.913 -12.456 -31.148 589 HG2 GLU 78 2HG GLU 78 -9.505 -13.368 -32.394 590 HG3 GLU 78 3HG GLU 78 -9.648 -14.765 -31.329 591 H GLU 79 H GLU 79 -6.730 -14.018 -27.745 592 HA GLU 79 HA GLU 79 -4.337 -12.467 -28.426 593 HB2 GLU 79 2HB GLU 79 -5.630 -12.880 -25.725 594 HB3 GLU 79 3HB GLU 79 -4.314 -11.773 -26.093 595 HG2 GLU 79 2HG GLU 79 -7.182 -11.599 -26.954 596 HG3 GLU 79 3HG GLU 79 -6.264 -10.465 -25.965 597 H GLY 80 H GLY 80 -4.738 -15.487 -28.528 598 HA2 GLY 80 2HA GLY 80 -2.153 -16.144 -27.435 599 HA3 GLY 80 3HA GLY 80 -3.484 -16.914 -26.585 600 H LYS 81 H LYS 81 -5.169 -17.303 -28.854 601 HA LYS 81 HA LYS 81 -3.709 -19.512 -30.118 602 HB2 LYS 81 2HB LYS 81 -6.136 -19.506 -28.866 603 HB3 LYS 81 3HB LYS 81 -6.615 -19.321 -30.548 604 HG2 LYS 81 2HG LYS 81 -6.628 -21.622 -30.186 605 HG3 LYS 81 3HG LYS 81 -5.100 -21.320 -31.019 606 HD2 LYS 81 2HD LYS 81 -4.371 -22.671 -29.320 607 HD3 LYS 81 3HD LYS 81 -4.195 -21.091 -28.552 608 HE2 LYS 81 2HE LYS 81 -5.303 -22.254 -26.911 609 HE3 LYS 81 3HE LYS 81 -6.656 -21.530 -27.778 610 HZ1 LYS 81 3HZ LYS 81 -5.651 -24.255 -28.364 611 HZ2 LYS 81 1HZ LYS 81 -7.107 -23.554 -28.866 612 HZ3 LYS 81 2HZ LYS 81 -6.878 -23.953 -27.239 613 H LEU 82 H LEU 82 -3.733 -16.574 -30.887 614 HA LEU 82 HA LEU 82 -4.364 -17.018 -33.723 615 HB2 LEU 82 2HB LEU 82 -6.080 -15.608 -32.477 616 HB3 LEU 82 3HB LEU 82 -4.817 -14.385 -32.347 617 HG LEU 82 HG LEU 82 -4.702 -14.341 -34.839 618 HD11 LEU 82 1HD1 LEU 82 -7.245 -15.353 -35.470 619 HD12 LEU 82 2HD1 LEU 82 -6.424 -16.606 -34.539 620 HD13 LEU 82 3HD1 LEU 82 -5.674 -15.959 -35.998 621 HD21 LEU 82 3HD2 LEU 82 -6.271 -12.943 -33.211 622 HD22 LEU 82 1HD2 LEU 82 -7.525 -13.745 -34.157 623 HD23 LEU 82 2HD2 LEU 82 -6.317 -12.745 -34.963 624 H ASP 83 H ASP 83 -2.834 -14.638 -31.547 625 HA ASP 83 HA ASP 83 -0.583 -14.506 -33.445 626 HB2 ASP 83 2HB ASP 83 -1.164 -12.315 -31.482 627 HB3 ASP 83 3HB ASP 83 -0.323 -12.231 -33.027 628 H ALA 84 H ALA 84 1.321 -15.193 -32.730 629 HA ALA 84 HA ALA 84 1.698 -16.348 -30.217 630 HB1 ALA 84 1HB ALA 84 3.168 -17.141 -31.797 631 HB2 ALA 84 2HB ALA 84 3.533 -15.532 -32.423 632 HB3 ALA 84 3HB ALA 84 4.209 -16.052 -30.879 633 H SER 85 H SER 85 2.183 -13.075 -31.326 634 HA SER 85 HA SER 85 3.850 -12.156 -29.254 635 HB2 SER 85 2HB SER 85 1.962 -10.819 -31.167 636 HB3 SER 85 3HB SER 85 2.705 -9.886 -29.868 637 HG SER 85 HG SER 85 4.470 -9.853 -30.989 638 H CYS 86 H CYS 86 0.332 -12.324 -29.554 639 HA CYS 86 HA CYS 86 -0.255 -10.960 -27.146 640 HB2 CYS 86 2HB CYS 86 -1.898 -12.989 -28.675 641 HB3 CYS 86 3HB CYS 86 -2.509 -11.960 -27.385 642 HG CYS 86 HG CYS 86 -1.101 -10.556 -30.147 643 H ALA 87 H ALA 87 0.025 -14.410 -27.932 644 HA ALA 87 HA ALA 87 -0.649 -15.411 -25.399 645 HB1 ALA 87 1HB ALA 87 1.347 -16.981 -26.848 646 HB2 ALA 87 2HB ALA 87 -0.280 -17.416 -26.323 647 HB3 ALA 87 3HB ALA 87 -0.048 -16.517 -27.822 648 H VAL 88 H VAL 88 2.436 -14.366 -26.755 649 HA VAL 88 HA VAL 88 4.045 -15.254 -24.592 650 HB VAL 88 HB VAL 88 4.550 -13.120 -26.668 651 HG11 VAL 88 1HG1 VAL 88 6.235 -14.153 -24.431 652 HG12 VAL 88 2HG1 VAL 88 7.000 -13.672 -25.947 653 HG13 VAL 88 3HG1 VAL 88 6.047 -12.505 -25.029 654 HG21 VAL 88 3HG2 VAL 88 4.289 -15.691 -27.188 655 HG22 VAL 88 1HG2 VAL 88 5.545 -14.726 -27.963 656 HG23 VAL 88 2HG2 VAL 88 5.945 -15.750 -26.584 657 H ALA 89 H ALA 89 2.605 -12.111 -25.400 658 HA ALA 89 HA ALA 89 3.676 -10.640 -23.276 659 HB1 ALA 89 1HB ALA 89 1.494 -10.310 -25.202 660 HB2 ALA 89 2HB ALA 89 1.261 -9.447 -23.681 661 HB3 ALA 89 3HB ALA 89 2.707 -9.155 -24.648 662 H ILE 90 H ILE 90 0.646 -12.477 -23.497 663 HA ILE 90 HA ILE 90 -0.293 -11.820 -20.914 664 HB ILE 90 HB ILE 90 -0.920 -14.229 -22.624 665 HG12 ILE 90 2HG1 ILE 90 -2.555 -11.723 -22.214 666 HG13 ILE 90 3HG1 ILE 90 -1.432 -11.925 -23.554 667 HG21 ILE 90 1HG2 ILE 90 -1.801 -14.986 -20.693 668 HG22 ILE 90 2HG2 ILE 90 -1.839 -13.384 -19.960 669 HG23 ILE 90 3HG2 ILE 90 -3.107 -13.868 -21.086 670 HD11 ILE 90 3HD1 ILE 90 -2.865 -14.160 -23.849 671 HD12 ILE 90 1HD1 ILE 90 -4.083 -13.127 -23.101 672 HD13 ILE 90 2HD1 ILE 90 -3.299 -12.623 -24.598 673 H GLU 91 H GLU 91 1.460 -14.658 -22.146 674 HA GLU 91 HA GLU 91 1.567 -16.117 -19.777 675 HB2 GLU 91 2HB GLU 91 3.099 -16.062 -22.305 676 HB3 GLU 91 3HB GLU 91 3.922 -16.792 -20.933 677 HG2 GLU 91 2HG GLU 91 1.164 -17.689 -21.260 678 HG3 GLU 91 3HG GLU 91 2.210 -18.074 -22.625 679 H GLU 92 H GLU 92 3.602 -13.489 -20.933 680 HA GLU 92 HA GLU 92 5.564 -13.726 -18.880 681 HB2 GLU 92 2HB GLU 92 5.648 -12.498 -21.203 682 HB3 GLU 92 3HB GLU 92 5.022 -11.139 -20.281 683 HG2 GLU 92 2HG GLU 92 6.948 -10.874 -19.089 684 HG3 GLU 92 3HG GLU 92 7.401 -12.571 -19.231 685 H ALA 93 H ALA 93 2.726 -11.651 -19.342 686 HA ALA 93 HA ALA 93 3.016 -10.039 -17.088 687 HB1 ALA 93 1HB ALA 93 0.245 -10.575 -17.519 688 HB2 ALA 93 2HB ALA 93 1.173 -9.130 -17.921 689 HB3 ALA 93 3HB ALA 93 1.064 -10.457 -19.077 690 H ILE 94 H ILE 94 1.413 -13.181 -17.444 691 HA ILE 94 HA ILE 94 0.545 -13.283 -14.719 692 HB ILE 94 HB ILE 94 -0.050 -15.612 -15.183 693 HG12 ILE 94 2HG1 ILE 94 1.316 -15.121 -17.838 694 HG13 ILE 94 3HG1 ILE 94 1.838 -16.243 -16.586 695 HG21 ILE 94 1HG2 ILE 94 -1.160 -13.358 -16.298 696 HG22 ILE 94 2HG2 ILE 94 -1.014 -14.451 -17.673 697 HG23 ILE 94 3HG2 ILE 94 -1.906 -14.954 -16.238 698 HD11 ILE 94 3HD1 ILE 94 -0.320 -16.493 -18.584 699 HD12 ILE 94 1HD1 ILE 94 0.786 -17.707 -17.942 700 HD13 ILE 94 2HD1 ILE 94 -0.611 -17.197 -16.994 701 H GLN 95 H GLN 95 3.333 -14.444 -16.507 702 HA GLN 95 HA GLN 95 4.355 -16.176 -14.527 703 HB2 GLN 95 2HB GLN 95 5.396 -14.886 -16.985 704 HB3 GLN 95 3HB GLN 95 6.593 -15.431 -15.818 705 HG2 GLN 95 2HG GLN 95 4.422 -17.291 -16.649 706 HG3 GLN 95 3HG GLN 95 5.781 -17.003 -17.734 707 HE21 GLN 95 2HE2 GLN 95 7.941 -19.086 -16.036 708 HE22 GLN 95 1HE2 GLN 95 7.586 -18.120 -17.423 709 H LEU 96 H LEU 96 4.557 -12.725 -14.999 710 HA LEU 96 HA LEU 96 6.612 -12.402 -12.978 711 HB2 LEU 96 2HB LEU 96 5.018 -10.424 -14.595 712 HB3 LEU 96 3HB LEU 96 6.230 -9.964 -13.401 713 HG LEU 96 HG LEU 96 7.045 -11.785 -15.612 714 HD11 LEU 96 1HD1 LEU 96 7.645 -9.466 -16.756 715 HD12 LEU 96 2HD1 LEU 96 6.167 -8.971 -15.930 716 HD13 LEU 96 3HD1 LEU 96 6.130 -10.310 -17.077 717 HD21 LEU 96 3HD2 LEU 96 9.039 -10.086 -15.350 718 HD22 LEU 96 1HD2 LEU 96 8.819 -11.417 -14.215 719 HD23 LEU 96 2HD2 LEU 96 8.287 -9.792 -13.782 720 H TYR 97 H TYR 97 3.160 -11.710 -13.369 721 HA TYR 97 HA TYR 97 2.739 -10.417 -10.926 722 HB2 TYR 97 2HB TYR 97 1.084 -10.440 -12.744 723 HB3 TYR 97 3HB TYR 97 0.818 -12.160 -12.485 724 HD1 TYR 97 HD1 TYR 97 0.842 -9.022 -10.441 725 HD2 TYR 97 HD2 TYR 97 -1.079 -12.718 -11.310 726 HE1 TYR 97 HE1 TYR 97 -0.904 -8.496 -8.791 727 HE2 TYR 97 HE2 TYR 97 -2.831 -12.201 -9.663 728 HH TYR 97 HH TYR 97 -3.762 -9.787 -8.661 729 H GLU 98 H GLU 98 2.674 -13.850 -11.766 730 HA GLU 98 HA GLU 98 1.997 -14.612 -9.052 731 HB2 GLU 98 2HB GLU 98 1.526 -15.778 -11.474 732 HB3 GLU 98 3HB GLU 98 2.909 -16.705 -10.910 733 HG2 GLU 98 2HG GLU 98 1.194 -17.949 -10.069 734 HG3 GLU 98 3HG GLU 98 1.515 -16.879 -8.706 735 H GLU 99 H GLU 99 4.713 -13.469 -10.318 736 HA GLU 99 HA GLU 99 6.471 -15.339 -8.877 737 HB2 GLU 99 2HB GLU 99 7.130 -15.186 -11.170 738 HB3 GLU 99 3HB GLU 99 7.034 -13.431 -11.144 739 HG2 GLU 99 2HG GLU 99 8.915 -14.732 -9.261 740 HG3 GLU 99 3HG GLU 99 9.332 -14.729 -10.973 741 H GLN 100 H GLN 100 5.308 -12.091 -9.042 742 HA GLN 100 HA GLN 100 7.261 -11.227 -7.025 743 HB2 GLN 100 2HB GLN 100 5.537 -9.743 -8.983 744 HB3 GLN 100 3HB GLN 100 6.177 -8.927 -7.562 745 HG2 GLN 100 2HG GLN 100 8.455 -9.562 -8.270 746 HG3 GLN 100 3HG GLN 100 7.771 -10.267 -9.734 747 HE21 GLN 100 2HE2 GLN 100 8.117 -6.233 -9.313 748 HE22 GLN 100 1HE2 GLN 100 8.295 -7.296 -7.963 749 H LEU 101 H LEU 101 3.864 -11.757 -7.610 750 HA LEU 101 HA LEU 101 3.013 -10.502 -5.159 751 HB2 LEU 101 2HB LEU 101 1.588 -10.569 -7.166 752 HB3 LEU 101 3HB LEU 101 1.509 -12.325 -7.031 753 HG LEU 101 HG LEU 101 0.631 -11.372 -4.560 754 HD11 LEU 101 1HD1 LEU 101 0.447 -9.190 -6.058 755 HD12 LEU 101 2HD1 LEU 101 -0.768 -9.606 -4.851 756 HD13 LEU 101 3HD1 LEU 101 -1.056 -9.968 -6.552 757 HD21 LEU 101 3HD2 LEU 101 -0.426 -13.252 -5.313 758 HD22 LEU 101 1HD2 LEU 101 -0.577 -12.643 -6.961 759 HD23 LEU 101 2HD2 LEU 101 -1.653 -12.043 -5.698 760 H LYS 102 H LYS 102 4.027 -13.644 -6.179 761 HA LYS 102 HA LYS 102 2.969 -14.930 -3.786 762 HB2 LYS 102 2HB LYS 102 2.742 -16.247 -5.754 763 HB3 LYS 102 3HB LYS 102 4.414 -15.964 -6.222 764 HG2 LYS 102 2HG LYS 102 3.949 -17.311 -3.628 765 HG3 LYS 102 3HG LYS 102 3.596 -18.227 -5.095 766 HD2 LYS 102 2HD LYS 102 6.139 -16.777 -5.174 767 HD3 LYS 102 3HD LYS 102 6.056 -18.014 -3.918 768 HE2 LYS 102 2HE LYS 102 5.056 -19.452 -5.894 769 HE3 LYS 102 3HE LYS 102 5.946 -18.292 -6.880 770 HZ1 LYS 102 3HZ LYS 102 7.945 -19.040 -6.124 771 HZ2 LYS 102 1HZ LYS 102 7.065 -20.481 -6.020 772 HZ3 LYS 102 2HZ LYS 102 7.335 -19.554 -4.632 773 H ALA 103 H ALA 103 5.924 -13.634 -5.037 774 HA ALA 103 HA ALA 103 7.684 -15.009 -3.252 775 HB1 ALA 103 1HB ALA 103 8.112 -12.479 -4.837 776 HB2 ALA 103 2HB ALA 103 9.370 -13.403 -4.016 777 HB3 ALA 103 3HB ALA 103 8.491 -14.118 -5.367 778 H GLN 104 H GLN 104 5.786 -12.092 -3.104 779 HA GLN 104 HA GLN 104 7.038 -11.376 -0.544 780 HB2 GLN 104 2HB GLN 104 5.108 -9.677 -2.115 781 HB3 GLN 104 3HB GLN 104 6.204 -9.171 -0.836 782 HG2 GLN 104 2HG GLN 104 7.836 -10.292 -2.801 783 HG3 GLN 104 3HG GLN 104 6.643 -9.329 -3.671 784 HE21 GLN 104 2HE2 GLN 104 8.704 -6.589 -3.179 785 HE22 GLN 104 1HE2 GLN 104 7.937 -7.675 -4.282 786 H ALA 105 H ALA 105 4.945 -13.492 -1.155 787 HA ALA 105 HA ALA 105 2.943 -12.560 0.799 788 HB1 ALA 105 1HB ALA 105 2.520 -14.395 -1.556 789 HB2 ALA 105 2HB ALA 105 1.316 -14.052 -0.313 790 HB3 ALA 105 3HB ALA 105 1.893 -12.757 -1.363 791 H GLY 106 H GLY 106 5.527 -14.057 1.102 792 HA2 GLY 106 2HA GLY 106 4.887 -15.740 3.178 793 HA3 GLY 106 3HA GLY 106 4.855 -16.763 1.749 794 H GLY 107 H GLY 107 6.887 -16.273 0.266 795 HA2 GLY 107 2HA GLY 107 9.247 -15.757 0.267 796 HA3 GLY 107 3HA GLY 107 9.263 -16.060 1.998 797 H THR 108 H THR 108 8.183 -17.873 -0.879 798 HA THR 108 HA THR 108 8.678 -19.969 -1.621 799 HB THR 108 HB THR 108 11.001 -20.197 0.253 800 HG1 THR 108 HG1 THR 108 10.803 -18.480 -2.008 801 HG21 THR 108 3HG2 THR 108 10.470 -22.037 -1.290 802 HG22 THR 108 1HG2 THR 108 12.028 -21.302 -1.663 803 HG23 THR 108 2HG2 THR 108 10.617 -20.927 -2.653 804 H ASN 109 H ASN 109 6.664 -20.180 -0.113 805 HA ASN 109 HA ASN 109 5.460 -21.447 1.344 806 HB2 ASN 109 2HB ASN 109 7.766 -23.394 1.166 807 HB3 ASN 109 3HB ASN 109 6.090 -23.760 1.566 808 HD21 ASN 109 2HD2 ASN 109 6.858 -24.594 -1.996 809 HD22 ASN 109 1HD2 ASN 109 7.620 -24.968 -0.491 810 H GLU 110 H GLU 110 7.312 -19.506 2.439 811 HA GLU 110 HA GLU 110 8.179 -18.832 4.433 812 HB2 GLU 110 2HB GLU 110 5.963 -20.632 5.062 813 HB3 GLU 110 3HB GLU 110 7.149 -20.523 6.356 814 HG2 GLU 110 2HG GLU 110 6.434 -18.514 6.955 815 HG3 GLU 110 3HG GLU 110 6.515 -17.915 5.299 Start of MODEL 18 1 H1 MET 1 H MET 1 2.671 0.159 0.746 2 HA MET 1 HA MET 1 3.665 0.950 -1.634 3 HB2 MET 1 2HB MET 1 4.941 -1.216 -1.699 4 HB3 MET 1 3HB MET 1 5.030 -0.352 -0.170 5 HG2 MET 1 2HG MET 1 3.260 -1.842 0.716 6 HG3 MET 1 3HG MET 1 3.329 -2.753 -0.791 7 HE1 MET 1 3HE MET 1 4.012 -5.084 -0.003 8 HE2 MET 1 1HE MET 1 5.009 -4.534 -1.350 9 HE3 MET 1 2HE MET 1 5.749 -5.392 0.001 10 H ILE 2 H ILE 2 1.018 0.728 -2.266 11 HA ILE 2 HA ILE 2 1.058 -1.343 -4.359 12 HB ILE 2 HB ILE 2 -1.460 -1.421 -4.125 13 HG12 ILE 2 2HG1 ILE 2 -1.394 -0.701 -1.307 14 HG13 ILE 2 3HG1 ILE 2 -1.008 0.671 -2.340 15 HG21 ILE 2 1HG2 ILE 2 0.525 -2.545 -2.239 16 HG22 ILE 2 2HG2 ILE 2 -1.178 -2.749 -1.831 17 HG23 ILE 2 3HG2 ILE 2 -0.559 -3.360 -3.365 18 HD11 ILE 2 3HD1 ILE 2 -3.440 0.328 -1.715 19 HD12 ILE 2 1HD1 ILE 2 -3.079 0.573 -3.423 20 HD13 ILE 2 2HD1 ILE 2 -3.415 -1.048 -2.817 21 HA PRO 3 HA PRO 3 0.462 2.882 -6.200 22 HB2 PRO 3 2HB PRO 3 2.273 2.526 -8.192 23 HB3 PRO 3 3HB PRO 3 2.715 3.118 -6.586 24 HG2 PRO 3 2HG PRO 3 2.944 0.355 -7.715 25 HG3 PRO 3 3HG PRO 3 4.108 1.262 -6.731 26 HD2 PRO 3 2HD PRO 3 2.490 -0.643 -5.688 27 HD3 PRO 3 3HD PRO 3 3.009 0.780 -4.763 28 H SER 4 H SER 4 -0.944 3.286 -7.819 29 HA SER 4 HA SER 4 -2.392 2.957 -9.542 30 HB2 SER 4 2HB SER 4 0.042 1.899 -10.418 31 HB3 SER 4 3HB SER 4 -1.147 0.653 -10.797 32 HG SER 4 HG SER 4 -2.216 2.045 -12.089 33 H PHE 5 H PHE 5 -2.717 1.531 -7.038 34 HA PHE 5 HA PHE 5 -3.912 -0.163 -6.085 35 HB2 PHE 5 2HB PHE 5 -5.431 0.115 -8.686 36 HB3 PHE 5 3HB PHE 5 -6.026 -0.718 -7.254 37 HD1 PHE 5 HD1 PHE 5 -6.034 0.722 -5.060 38 HD2 PHE 5 HD2 PHE 5 -6.000 2.318 -9.006 39 HE1 PHE 5 HE1 PHE 5 -6.951 2.841 -4.208 40 HE2 PHE 5 HE2 PHE 5 -6.916 4.438 -8.160 41 HZ PHE 5 HZ PHE 5 -7.392 4.702 -5.758 42 H ALA 6 H ALA 6 -2.189 -1.688 -6.151 43 HA ALA 6 HA ALA 6 -1.322 -3.756 -6.538 44 HB1 ALA 6 1HB ALA 6 -2.760 -5.459 -7.068 45 HB2 ALA 6 2HB ALA 6 -3.908 -4.207 -6.589 46 HB3 ALA 6 3HB ALA 6 -3.601 -4.514 -8.298 47 HA PRO 7 HA PRO 7 0.243 -2.312 -10.630 48 HB2 PRO 7 2HB PRO 7 2.860 -2.493 -9.932 49 HB3 PRO 7 3HB PRO 7 1.872 -1.069 -9.590 50 HG2 PRO 7 2HG PRO 7 2.626 -3.330 -7.779 51 HG3 PRO 7 3HG PRO 7 2.590 -1.590 -7.441 52 HD2 PRO 7 2HD PRO 7 0.613 -3.268 -6.661 53 HD3 PRO 7 3HD PRO 7 0.309 -1.576 -7.105 54 H GLY 8 H GLY 8 0.665 -3.668 -12.272 55 HA2 GLY 8 2HA GLY 8 2.002 -5.490 -13.179 56 HA3 GLY 8 3HA GLY 8 1.826 -6.305 -11.632 57 H THR 9 H THR 9 -0.928 -4.697 -12.945 58 HA THR 9 HA THR 9 -2.163 -7.312 -13.452 59 HB THR 9 HB THR 9 -3.724 -4.757 -13.315 60 HG1 THR 9 HG1 THR 9 -2.936 -6.303 -11.053 61 HG21 THR 9 3HG2 THR 9 -4.233 -7.675 -12.956 62 HG22 THR 9 1HG2 THR 9 -5.156 -6.475 -13.860 63 HG23 THR 9 2HG2 THR 9 -5.253 -6.519 -12.099 64 H LEU 10 H LEU 10 -2.846 -7.894 -15.428 65 HA LEU 10 HA LEU 10 -2.333 -6.056 -17.636 66 HB2 LEU 10 2HB LEU 10 -1.560 -8.522 -17.479 67 HB3 LEU 10 3HB LEU 10 -3.219 -8.900 -17.938 68 HG LEU 10 HG LEU 10 -1.411 -7.144 -19.588 69 HD11 LEU 10 1HD1 LEU 10 -1.891 -9.736 -20.720 70 HD12 LEU 10 2HD1 LEU 10 -1.117 -9.894 -19.144 71 HD13 LEU 10 3HD1 LEU 10 -0.361 -8.918 -20.402 72 HD21 LEU 10 3HD2 LEU 10 -3.082 -7.978 -21.356 73 HD22 LEU 10 1HD2 LEU 10 -3.616 -6.738 -20.220 74 HD23 LEU 10 2HD2 LEU 10 -4.096 -8.419 -19.982 75 H VAL 11 H VAL 11 -3.934 -4.855 -18.393 76 HA VAL 11 HA VAL 11 -6.679 -5.925 -18.271 77 HB VAL 11 HB VAL 11 -7.426 -3.528 -18.284 78 HG11 VAL 11 1HG1 VAL 11 -6.143 -4.981 -16.094 79 HG12 VAL 11 2HG1 VAL 11 -6.281 -3.243 -15.819 80 HG13 VAL 11 3HG1 VAL 11 -7.722 -4.200 -16.167 81 HG21 VAL 11 3HG2 VAL 11 -5.752 -1.849 -17.520 82 HG22 VAL 11 1HG2 VAL 11 -4.489 -3.047 -17.805 83 HG23 VAL 11 2HG2 VAL 11 -5.463 -2.453 -19.151 84 H TRP 12 H TRP 12 -8.067 -4.392 -19.884 85 HA TRP 12 HA TRP 12 -6.690 -4.560 -22.485 86 HB2 TRP 12 2HB TRP 12 -9.390 -5.433 -21.609 87 HB3 TRP 12 3HB TRP 12 -9.269 -4.723 -23.216 88 HD1 TRP 12 HD1 TRP 12 -6.259 -6.700 -22.109 89 HE1 TRP 12 HE1 TRP 12 -6.177 -8.929 -23.393 90 HE3 TRP 12 HE3 TRP 12 -10.886 -6.557 -24.277 91 HZ2 TRP 12 HZ2 TRP 12 -7.852 -10.428 -25.101 92 HZ3 TRP 12 HZ3 TRP 12 -11.570 -8.428 -25.722 93 HH2 TRP 12 HH2 TRP 12 -10.083 -10.322 -26.125 94 H LEU 13 H LEU 13 -6.687 -2.803 -23.765 95 HA LEU 13 HA LEU 13 -8.256 -0.475 -22.871 96 HB2 LEU 13 2HB LEU 13 -5.528 -0.696 -23.087 97 HB3 LEU 13 3HB LEU 13 -5.975 0.072 -24.610 98 HG LEU 13 HG LEU 13 -7.264 1.352 -22.353 99 HD11 LEU 13 1HD1 LEU 13 -5.332 2.284 -21.289 100 HD12 LEU 13 2HD1 LEU 13 -4.253 1.418 -22.382 101 HD13 LEU 13 3HD1 LEU 13 -5.220 0.526 -21.208 102 HD21 LEU 13 3HD2 LEU 13 -5.803 3.261 -23.441 103 HD22 LEU 13 1HD2 LEU 13 -7.244 2.635 -24.243 104 HD23 LEU 13 2HD2 LEU 13 -5.646 2.079 -24.741 105 H LYS 14 H LYS 14 -9.888 -0.024 -24.179 106 HA LYS 14 HA LYS 14 -9.659 -0.709 -27.030 107 HB2 LYS 14 2HB LYS 14 -11.534 -1.777 -25.913 108 HB3 LYS 14 3HB LYS 14 -12.098 -0.224 -25.310 109 HG2 LYS 14 2HG LYS 14 -12.596 0.508 -27.560 110 HG3 LYS 14 3HG LYS 14 -11.942 -0.993 -28.218 111 HD2 LYS 14 2HD LYS 14 -13.679 -2.274 -27.135 112 HD3 LYS 14 3HD LYS 14 -14.286 -0.828 -26.325 113 HE2 LYS 14 2HE LYS 14 -14.731 0.147 -28.586 114 HE3 LYS 14 3HE LYS 14 -14.309 -1.417 -29.281 115 HZ1 LYS 14 3HZ LYS 14 -16.118 -2.119 -27.439 116 HZ2 LYS 14 1HZ LYS 14 -16.489 -1.807 -29.060 117 HZ3 LYS 14 2HZ LYS 14 -16.712 -0.602 -27.894 118 H GLN 15 H GLN 15 -8.856 1.010 -28.085 119 HA GLN 15 HA GLN 15 -9.267 3.703 -27.330 120 HB2 GLN 15 2HB GLN 15 -7.907 2.260 -29.466 121 HB3 GLN 15 3HB GLN 15 -8.624 3.764 -30.027 122 HG2 GLN 15 2HG GLN 15 -6.748 4.722 -29.318 123 HG3 GLN 15 3HG GLN 15 -7.422 4.535 -27.700 124 HE21 GLN 15 2HE2 GLN 15 -5.397 1.681 -26.930 125 HE22 GLN 15 1HE2 GLN 15 -7.010 2.276 -26.761 126 H ASP 16 H ASP 16 -10.259 5.353 -28.802 127 HA ASP 16 HA ASP 16 -13.004 4.812 -29.142 128 HB2 ASP 16 2HB ASP 16 -11.196 7.092 -29.596 129 HB3 ASP 16 3HB ASP 16 -12.615 7.062 -30.638 130 H ARG 17 H ARG 17 -10.441 5.358 -31.557 131 HA ARG 17 HA ARG 17 -12.215 4.289 -33.628 132 HB2 ARG 17 2HB ARG 17 -9.927 6.144 -33.587 133 HB3 ARG 17 3HB ARG 17 -9.947 5.028 -34.946 134 HG2 ARG 17 2HG ARG 17 -12.228 5.777 -35.494 135 HG3 ARG 17 3HG ARG 17 -12.138 6.942 -34.171 136 HD2 ARG 17 2HD ARG 17 -10.739 8.321 -35.302 137 HD3 ARG 17 3HD ARG 17 -9.923 6.993 -36.125 138 HE ARG 17 HE ARG 17 -12.623 7.426 -37.013 139 HH11 ARG 17 1HH1 ARG 17 -9.289 8.342 -37.418 140 HH12 ARG 17 2HH1 ARG 17 -9.502 8.892 -39.047 141 HH21 ARG 17 2HH2 ARG 17 -11.566 8.782 -40.035 142 HH22 ARG 17 1HH2 ARG 17 -12.917 8.147 -39.157 143 H PHE 18 H PHE 18 -9.296 3.589 -31.870 144 HA PHE 18 HA PHE 18 -8.567 1.386 -33.611 145 HB2 PHE 18 2HB PHE 18 -7.267 2.945 -31.542 146 HB3 PHE 18 3HB PHE 18 -7.037 1.220 -31.275 147 HD1 PHE 18 HD1 PHE 18 -7.210 3.277 -34.380 148 HD2 PHE 18 HD2 PHE 18 -4.920 0.638 -31.949 149 HE1 PHE 18 HE1 PHE 18 -5.433 3.256 -36.082 150 HE2 PHE 18 HE2 PHE 18 -3.139 0.614 -33.646 151 HZ PHE 18 HZ PHE 18 -3.394 1.925 -35.716 152 HA PRO 19 HA PRO 19 -10.621 -1.841 -31.464 153 HB2 PRO 19 2HB PRO 19 -8.816 -3.861 -31.642 154 HB3 PRO 19 3HB PRO 19 -9.752 -3.285 -33.026 155 HG2 PRO 19 2HG PRO 19 -6.935 -2.642 -32.245 156 HG3 PRO 19 3HG PRO 19 -7.596 -3.005 -33.850 157 HD2 PRO 19 2HD PRO 19 -7.084 -0.478 -33.023 158 HD3 PRO 19 3HD PRO 19 -8.410 -0.868 -34.136 159 H TRP 20 H TRP 20 -9.861 -3.804 -29.866 160 HA TRP 20 HA TRP 20 -8.759 -2.404 -27.540 161 HB2 TRP 20 2HB TRP 20 -9.730 -4.365 -26.272 162 HB3 TRP 20 3HB TRP 20 -10.905 -3.345 -27.097 163 HD1 TRP 20 HD1 TRP 20 -9.430 -6.858 -27.146 164 HE1 TRP 20 HE1 TRP 20 -10.859 -8.339 -28.692 165 HE3 TRP 20 HE3 TRP 20 -12.427 -3.251 -29.181 166 HZ2 TRP 20 HZ2 TRP 20 -12.976 -8.020 -30.531 167 HZ3 TRP 20 HZ3 TRP 20 -14.129 -3.922 -30.827 168 HH2 TRP 20 HH2 TRP 20 -14.396 -6.257 -31.487 169 H TRP 21 H TRP 21 -6.737 -2.775 -26.943 170 HA TRP 21 HA TRP 21 -5.525 -5.374 -27.624 171 HB2 TRP 21 2HB TRP 21 -4.681 -2.722 -28.343 172 HB3 TRP 21 3HB TRP 21 -3.461 -3.468 -27.313 173 HD1 TRP 21 HD1 TRP 21 -1.714 -4.804 -28.605 174 HE1 TRP 21 HE1 TRP 21 -1.616 -6.021 -30.871 175 HE3 TRP 21 HE3 TRP 21 -6.540 -4.075 -30.129 176 HZ2 TRP 21 HZ2 TRP 21 -3.353 -6.595 -33.020 177 HZ3 TRP 21 HZ3 TRP 21 -7.241 -4.989 -32.303 178 HH2 TRP 21 HH2 TRP 21 -5.679 -6.222 -33.717 179 HA PRO 22 HA PRO 22 -4.607 -5.883 -23.359 180 HB2 PRO 22 2HB PRO 22 -2.357 -7.394 -23.514 181 HB3 PRO 22 3HB PRO 22 -3.965 -8.025 -23.887 182 HG2 PRO 22 2HG PRO 22 -1.828 -7.065 -25.751 183 HG3 PRO 22 3HG PRO 22 -2.873 -8.491 -25.887 184 HD2 PRO 22 2HD PRO 22 -3.351 -6.199 -27.247 185 HD3 PRO 22 3HD PRO 22 -4.654 -7.265 -26.684 186 H GLY 23 H GLY 23 -3.335 -5.062 -21.711 187 HA2 GLY 23 2HA GLY 23 -0.765 -3.864 -22.277 188 HA3 GLY 23 3HA GLY 23 -2.040 -2.702 -21.942 189 H PHE 24 H PHE 24 0.495 -3.891 -20.526 190 HA PHE 24 HA PHE 24 -0.607 -4.836 -18.035 191 HB2 PHE 24 2HB PHE 24 1.820 -5.150 -19.281 192 HB3 PHE 24 3HB PHE 24 2.200 -3.980 -18.021 193 HD1 PHE 24 HD1 PHE 24 0.071 -7.041 -18.250 194 HD2 PHE 24 HD2 PHE 24 3.129 -4.938 -16.166 195 HE1 PHE 24 HE1 PHE 24 0.199 -8.865 -16.603 196 HE2 PHE 24 HE2 PHE 24 3.262 -6.759 -14.517 197 HZ PHE 24 HZ PHE 24 1.797 -8.726 -14.734 198 H VAL 25 H VAL 25 -1.018 -3.688 -16.242 199 HA VAL 25 HA VAL 25 -0.883 -0.805 -16.394 200 HB VAL 25 HB VAL 25 -1.871 -2.569 -14.148 201 HG11 VAL 25 1HG1 VAL 25 -1.342 -0.423 -13.268 202 HG12 VAL 25 2HG1 VAL 25 -2.095 0.394 -14.639 203 HG13 VAL 25 3HG1 VAL 25 -3.091 -0.481 -13.476 204 HG21 VAL 25 3HG2 VAL 25 -3.697 -2.922 -15.361 205 HG22 VAL 25 1HG2 VAL 25 -3.958 -1.182 -15.482 206 HG23 VAL 25 2HG2 VAL 25 -2.991 -2.015 -16.699 207 H MET 26 H MET 26 0.846 0.307 -15.795 208 HA MET 26 HA MET 26 2.366 -0.587 -13.450 209 HB2 MET 26 2HB MET 26 3.575 0.304 -16.074 210 HB3 MET 26 3HB MET 26 4.479 0.010 -14.595 211 HG2 MET 26 2HG MET 26 3.073 -2.325 -14.931 212 HG3 MET 26 3HG MET 26 3.483 -1.861 -16.581 213 HE1 MET 26 3HE MET 26 7.029 -2.712 -17.019 214 HE2 MET 26 1HE MET 26 5.400 -2.534 -17.671 215 HE3 MET 26 2HE MET 26 6.291 -1.113 -17.125 216 H ASP 27 H ASP 27 3.144 1.031 -12.152 217 HA ASP 27 HA ASP 27 2.080 3.692 -12.680 218 HB2 ASP 27 2HB ASP 27 2.148 2.213 -10.402 219 HB3 ASP 27 3HB ASP 27 3.582 3.212 -10.183 220 HA PRO 28 HA PRO 28 5.948 5.344 -13.991 221 HB2 PRO 28 2HB PRO 28 5.444 7.970 -13.522 222 HB3 PRO 28 3HB PRO 28 4.729 7.081 -14.872 223 HG2 PRO 28 2HG PRO 28 3.538 7.767 -12.212 224 HG3 PRO 28 3HG PRO 28 2.800 7.846 -13.823 225 HD2 PRO 28 2HD PRO 28 2.337 5.803 -12.107 226 HD3 PRO 28 3HD PRO 28 2.357 5.584 -13.869 227 H ASP 29 H ASP 29 4.618 6.329 -10.861 228 HA ASP 29 HA ASP 29 6.978 5.793 -9.443 229 HB2 ASP 29 2HB ASP 29 7.416 8.032 -10.823 230 HB3 ASP 29 3HB ASP 29 6.572 8.744 -9.451 231 H GLU 30 H GLU 30 4.526 4.998 -8.889 232 HA GLU 30 HA GLU 30 2.843 4.960 -7.353 233 HB2 GLU 30 2HB GLU 30 4.949 6.393 -5.726 234 HB3 GLU 30 3HB GLU 30 3.486 5.678 -5.063 235 HG2 GLU 30 2HG GLU 30 4.255 3.554 -5.274 236 HG3 GLU 30 3HG GLU 30 5.238 3.931 -6.688 237 H VAL 31 H VAL 31 1.380 6.294 -8.447 238 HA VAL 31 HA VAL 31 1.367 9.137 -7.738 239 HB VAL 31 HB VAL 31 -0.253 9.445 -9.507 240 HG11 VAL 31 1HG1 VAL 31 1.107 8.555 -11.452 241 HG12 VAL 31 2HG1 VAL 31 1.975 9.550 -10.281 242 HG13 VAL 31 3HG1 VAL 31 2.149 7.795 -10.250 243 HG21 VAL 31 3HG2 VAL 31 -0.614 7.272 -10.971 244 HG22 VAL 31 1HG2 VAL 31 -0.372 6.477 -9.416 245 HG23 VAL 31 2HG2 VAL 31 -1.670 7.655 -9.612 246 H ARG 32 H ARG 32 0.442 6.658 -6.122 247 HA ARG 32 HA ARG 32 -2.365 7.320 -5.701 248 HB2 ARG 32 2HB ARG 32 -2.464 5.360 -4.317 249 HB3 ARG 32 3HB ARG 32 -1.596 4.946 -5.789 250 HG2 ARG 32 2HG ARG 32 0.513 5.060 -4.633 251 HG3 ARG 32 3HG ARG 32 -0.286 5.626 -3.165 252 HD2 ARG 32 2HD ARG 32 -1.591 3.252 -3.929 253 HD3 ARG 32 3HD ARG 32 0.139 2.944 -4.082 254 HE ARG 32 HE ARG 32 -1.332 3.211 -1.668 255 HH11 ARG 32 1HH1 ARG 32 1.756 3.904 -3.118 256 HH12 ARG 32 2HH1 ARG 32 2.616 3.869 -1.615 257 HH21 ARG 32 2HH2 ARG 32 1.497 3.446 0.339 258 HH22 ARG 32 1HH2 ARG 32 -0.211 3.162 0.317 259 H ASP 33 H ASP 33 0.748 7.669 -4.154 260 HA ASP 33 HA ASP 33 -0.531 8.911 -1.818 261 HB2 ASP 33 2HB ASP 33 1.383 7.024 -1.814 262 HB3 ASP 33 3HB ASP 33 2.402 8.460 -1.858 263 H ILE 34 H ILE 34 1.724 9.480 -4.442 264 HA ILE 34 HA ILE 34 1.874 12.312 -3.640 265 HB ILE 34 HB ILE 34 3.833 10.801 -5.371 266 HG12 ILE 34 2HG1 ILE 34 5.249 11.511 -3.186 267 HG13 ILE 34 3HG1 ILE 34 3.670 11.269 -2.448 268 HG21 ILE 34 1HG2 ILE 34 5.211 12.776 -5.220 269 HG22 ILE 34 2HG2 ILE 34 3.626 13.213 -5.856 270 HG23 ILE 34 3HG2 ILE 34 4.028 13.561 -4.175 271 HD11 ILE 34 3HD1 ILE 34 4.501 9.174 -2.239 272 HD12 ILE 34 1HD1 ILE 34 3.781 9.023 -3.842 273 HD13 ILE 34 2HD1 ILE 34 5.514 9.310 -3.677 274 H THR 35 H THR 35 0.473 13.465 -4.793 275 HA THR 35 HA THR 35 0.038 12.769 -7.616 276 HB THR 35 HB THR 35 -1.855 14.671 -7.041 277 HG1 THR 35 HG1 THR 35 -2.432 14.533 -4.991 278 HG21 THR 35 3HG2 THR 35 -1.845 11.686 -7.082 279 HG22 THR 35 1HG2 THR 35 -2.595 12.822 -8.202 280 HG23 THR 35 2HG2 THR 35 -3.322 12.533 -6.621 281 H LEU 36 H LEU 36 1.482 13.859 -8.822 282 HA LEU 36 HA LEU 36 1.766 16.751 -8.336 283 HB2 LEU 36 2HB LEU 36 3.946 16.538 -9.530 284 HB3 LEU 36 3HB LEU 36 3.866 15.710 -7.977 285 HG LEU 36 HG LEU 36 3.304 14.125 -10.429 286 HD11 LEU 36 1HD1 LEU 36 5.241 14.623 -11.394 287 HD12 LEU 36 2HD1 LEU 36 6.039 13.862 -10.018 288 HD13 LEU 36 3HD1 LEU 36 5.751 15.602 -10.019 289 HD21 LEU 36 3HD2 LEU 36 3.136 12.785 -8.587 290 HD22 LEU 36 1HD2 LEU 36 4.335 13.700 -7.673 291 HD23 LEU 36 2HD2 LEU 36 4.853 12.590 -8.942 292 HA PRO 37 HA PRO 37 0.085 17.588 -12.304 293 HB2 PRO 37 2HB PRO 37 1.463 19.824 -12.992 294 HB3 PRO 37 3HB PRO 37 0.204 19.815 -11.751 295 HG2 PRO 37 2HG PRO 37 3.179 19.711 -11.432 296 HG3 PRO 37 3HG PRO 37 1.987 20.650 -10.513 297 HD2 PRO 37 2HD PRO 37 3.055 18.342 -9.583 298 HD3 PRO 37 3HD PRO 37 1.399 18.851 -9.198 299 H GLU 38 H GLU 38 0.418 16.745 -14.264 300 HA GLU 38 HA GLU 38 2.850 17.032 -15.709 301 HB2 GLU 38 2HB GLU 38 2.613 14.742 -13.978 302 HB3 GLU 38 3HB GLU 38 2.672 14.222 -15.656 303 HG2 GLU 38 2HG GLU 38 4.749 15.402 -15.992 304 HG3 GLU 38 3HG GLU 38 4.675 16.052 -14.355 305 H GLY 39 H GLY 39 0.343 14.497 -15.496 306 HA2 GLY 39 2HA GLY 39 -1.566 14.925 -17.141 307 HA3 GLY 39 3HA GLY 39 -0.276 15.029 -18.330 308 H SER 40 H SER 40 0.865 12.811 -16.295 309 HA SER 40 HA SER 40 -0.634 10.562 -17.438 310 HB2 SER 40 2HB SER 40 1.703 9.437 -17.683 311 HB3 SER 40 3HB SER 40 1.169 10.571 -18.923 312 HG SER 40 HG SER 40 2.928 11.617 -18.481 313 H ASP 41 H ASP 41 -1.447 9.586 -15.703 314 HA ASP 41 HA ASP 41 0.230 9.320 -13.304 315 HB2 ASP 41 2HB ASP 41 -1.656 9.398 -12.015 316 HB3 ASP 41 3HB ASP 41 -2.254 10.297 -13.407 317 H VAL 42 H VAL 42 -1.479 7.538 -15.759 318 HA VAL 42 HA VAL 42 -0.572 5.019 -14.524 319 HB VAL 42 HB VAL 42 -2.930 5.436 -16.367 320 HG11 VAL 42 1HG1 VAL 42 -1.533 3.017 -15.372 321 HG12 VAL 42 2HG1 VAL 42 -3.295 2.971 -15.441 322 HG13 VAL 42 3HG1 VAL 42 -2.362 3.299 -16.902 323 HG21 VAL 42 3HG2 VAL 42 -4.193 5.730 -14.560 324 HG22 VAL 42 1HG2 VAL 42 -3.539 4.274 -13.810 325 HG23 VAL 42 2HG2 VAL 42 -2.717 5.821 -13.600 326 H TRP 43 H TRP 43 0.612 3.618 -15.726 327 HA TRP 43 HA TRP 43 1.254 4.454 -18.479 328 HB2 TRP 43 2HB TRP 43 2.998 4.264 -16.368 329 HB3 TRP 43 3HB TRP 43 3.191 2.695 -17.146 330 HD1 TRP 43 HD1 TRP 43 2.732 3.916 -20.171 331 HE1 TRP 43 HE1 TRP 43 4.707 5.166 -21.249 332 HE3 TRP 43 HE3 TRP 43 5.385 5.040 -15.947 333 HZ2 TRP 43 HZ2 TRP 43 7.076 6.456 -20.419 334 HZ3 TRP 43 HZ3 TRP 43 7.495 6.284 -16.177 335 HH2 TRP 43 HH2 TRP 43 8.322 6.976 -18.367 336 H VAL 44 H VAL 44 0.250 3.163 -19.875 337 HA VAL 44 HA VAL 44 -0.161 0.343 -19.199 338 HB VAL 44 HB VAL 44 -1.288 1.903 -21.527 339 HG11 VAL 44 1HG1 VAL 44 -2.988 -0.122 -21.197 340 HG12 VAL 44 2HG1 VAL 44 -1.562 -0.241 -22.229 341 HG13 VAL 44 3HG1 VAL 44 -1.526 -0.899 -20.593 342 HG21 VAL 44 3HG2 VAL 44 -2.624 2.871 -20.027 343 HG22 VAL 44 1HG2 VAL 44 -3.349 1.283 -19.776 344 HG23 VAL 44 2HG2 VAL 44 -2.039 1.830 -18.729 345 H CYS 45 H CYS 45 1.396 -0.999 -19.818 346 HA CYS 45 HA CYS 45 2.956 -0.392 -22.219 347 HB2 CYS 45 2HB CYS 45 3.465 -2.581 -20.202 348 HB3 CYS 45 3HB CYS 45 4.586 -1.949 -21.403 349 HG CYS 45 HG CYS 45 3.394 -0.054 -18.819 350 H CYS 46 H CYS 46 1.754 -1.055 -23.936 351 HA CYS 46 HA CYS 46 0.298 -3.520 -23.944 352 HB2 CYS 46 2HB CYS 46 1.023 -1.625 -26.188 353 HB3 CYS 46 3HB CYS 46 -0.058 -3.003 -26.358 354 HG CYS 46 HG CYS 46 -1.383 -1.525 -23.917 355 H LEU 47 H LEU 47 0.669 -5.029 -25.922 356 HA LEU 47 HA LEU 47 3.179 -6.286 -25.545 357 HB2 LEU 47 2HB LEU 47 2.299 -8.009 -26.700 358 HB3 LEU 47 3HB LEU 47 0.795 -7.142 -26.397 359 HG LEU 47 HG LEU 47 2.410 -7.022 -28.944 360 HD11 LEU 47 1HD1 LEU 47 0.901 -9.106 -28.135 361 HD12 LEU 47 2HD1 LEU 47 1.107 -8.631 -29.821 362 HD13 LEU 47 3HD1 LEU 47 -0.322 -8.112 -28.927 363 HD21 LEU 47 3HD2 LEU 47 -0.118 -6.086 -29.462 364 HD22 LEU 47 1HD2 LEU 47 1.321 -5.093 -29.232 365 HD23 LEU 47 2HD2 LEU 47 0.236 -5.399 -27.876 366 HA PRO 48 HA PRO 48 5.770 -4.469 -28.583 367 HB2 PRO 48 2HB PRO 48 7.140 -6.613 -29.530 368 HB3 PRO 48 3HB PRO 48 7.410 -5.935 -27.920 369 HG2 PRO 48 2HG PRO 48 5.787 -8.318 -28.723 370 HG3 PRO 48 3HG PRO 48 6.898 -8.131 -27.354 371 HD2 PRO 48 2HD PRO 48 4.210 -7.949 -27.084 372 HD3 PRO 48 3HD PRO 48 5.336 -7.017 -26.076 373 H ARG 49 H ARG 49 4.705 -3.652 -30.309 374 HA ARG 49 HA ARG 49 4.553 -5.249 -32.700 375 HB2 ARG 49 2HB ARG 49 2.202 -5.051 -33.099 376 HB3 ARG 49 3HB ARG 49 2.410 -5.757 -31.502 377 HG2 ARG 49 2HG ARG 49 0.838 -4.231 -30.969 378 HG3 ARG 49 3HG ARG 49 2.252 -3.187 -30.802 379 HD2 ARG 49 2HD ARG 49 1.715 -1.959 -32.610 380 HD3 ARG 49 3HD ARG 49 1.156 -3.362 -33.521 381 HE ARG 49 HE ARG 49 -0.437 -1.597 -31.893 382 HH11 ARG 49 1HH1 ARG 49 -0.207 -4.748 -33.356 383 HH12 ARG 49 2HH1 ARG 49 -1.920 -5.012 -33.366 384 HH21 ARG 49 2HH2 ARG 49 -3.333 -3.409 -32.539 385 HH22 ARG 49 1HH2 ARG 49 -2.693 -1.933 -31.900 386 H ASP 50 H ASP 50 3.979 -2.219 -31.031 387 HA ASP 50 HA ASP 50 4.336 -0.779 -33.575 388 HB2 ASP 50 2HB ASP 50 2.459 -0.439 -31.461 389 HB3 ASP 50 3HB ASP 50 3.505 0.978 -31.485 390 H SER 51 H SER 51 6.263 -1.914 -31.401 391 HA SER 51 HA SER 51 8.369 -1.379 -30.710 392 HB2 SER 51 2HB SER 51 8.312 -0.096 -32.983 393 HB3 SER 51 3HB SER 51 8.161 1.339 -31.970 394 HG SER 51 HG SER 51 10.195 1.175 -31.488 395 H LEU 52 H LEU 52 6.871 -1.269 -28.710 396 HA LEU 52 HA LEU 52 6.555 -0.386 -26.637 397 HB2 LEU 52 2HB LEU 52 8.257 1.966 -27.359 398 HB3 LEU 52 3HB LEU 52 8.071 1.165 -25.801 399 HG LEU 52 HG LEU 52 9.610 0.143 -28.185 400 HD11 LEU 52 1HD1 LEU 52 11.555 0.542 -26.930 401 HD12 LEU 52 2HD1 LEU 52 10.643 0.811 -25.445 402 HD13 LEU 52 3HD1 LEU 52 10.580 2.000 -26.746 403 HD21 LEU 52 3HD2 LEU 52 8.736 -1.791 -27.216 404 HD22 LEU 52 1HD2 LEU 52 8.863 -1.143 -25.581 405 HD23 LEU 52 2HD2 LEU 52 10.319 -1.615 -26.457 406 H THR 53 H THR 53 4.364 -0.010 -27.430 407 HA THR 53 HA THR 53 3.719 2.756 -28.111 408 HB THR 53 HB THR 53 1.478 0.885 -27.800 409 HG1 THR 53 HG1 THR 53 2.304 -0.681 -28.944 410 HG21 THR 53 3HG2 THR 53 0.615 2.049 -29.563 411 HG22 THR 53 1HG2 THR 53 2.177 2.207 -30.366 412 HG23 THR 53 2HG2 THR 53 1.779 3.247 -28.998 413 H LEU 54 H LEU 54 4.674 2.302 -25.484 414 HA LEU 54 HA LEU 54 2.772 1.927 -23.511 415 HB2 LEU 54 2HB LEU 54 5.168 3.749 -23.569 416 HB3 LEU 54 3HB LEU 54 4.216 3.439 -22.119 417 HG LEU 54 HG LEU 54 4.824 0.912 -22.819 418 HD11 LEU 54 1HD1 LEU 54 6.266 1.032 -24.553 419 HD12 LEU 54 2HD1 LEU 54 7.437 1.295 -23.262 420 HD13 LEU 54 3HD1 LEU 54 6.786 2.669 -24.155 421 HD21 LEU 54 3HD2 LEU 54 6.605 2.765 -21.239 422 HD22 LEU 54 1HD2 LEU 54 6.552 1.007 -21.113 423 HD23 LEU 54 2HD2 LEU 54 5.154 1.967 -20.630 424 H SER 55 H SER 55 0.968 2.963 -23.006 425 HA SER 55 HA SER 55 0.603 5.713 -23.980 426 HB2 SER 55 2HB SER 55 -1.006 3.589 -24.415 427 HB3 SER 55 3HB SER 55 -1.723 4.204 -22.926 428 HG SER 55 HG SER 55 -2.236 6.065 -23.920 429 H ALA 56 H ALA 56 0.777 7.285 -22.541 430 HA ALA 56 HA ALA 56 0.265 6.673 -19.706 431 HB1 ALA 56 1HB ALA 56 2.035 7.921 -19.117 432 HB2 ALA 56 2HB ALA 56 2.538 7.685 -20.792 433 HB3 ALA 56 3HB ALA 56 1.692 9.160 -20.324 434 H ALA 57 H ALA 57 -1.269 7.762 -18.618 435 HA ALA 57 HA ALA 57 -2.284 10.297 -19.568 436 HB1 ALA 57 1HB ALA 57 -3.880 7.774 -19.768 437 HB2 ALA 57 2HB ALA 57 -4.679 9.324 -19.502 438 HB3 ALA 57 3HB ALA 57 -3.695 9.076 -20.943 439 H ASN 58 H ASN 58 -3.264 11.483 -17.973 440 HA ASN 58 HA ASN 58 -3.422 10.200 -15.325 441 HB2 ASN 58 2HB ASN 58 -1.629 11.837 -15.396 442 HB3 ASN 58 3HB ASN 58 -2.727 13.059 -16.031 443 HD21 ASN 58 2HD2 ASN 58 -2.583 13.981 -12.592 444 HD22 ASN 58 1HD2 ASN 58 -1.735 14.145 -14.089 445 H SER 59 H SER 59 -5.519 9.763 -14.996 446 HA SER 59 HA SER 59 -7.774 10.020 -14.794 447 HB2 SER 59 2HB SER 59 -7.294 12.971 -14.445 448 HB3 SER 59 3HB SER 59 -8.497 11.949 -13.659 449 HG SER 59 HG SER 59 -6.606 12.562 -12.365 450 H GLU 60 H GLU 60 -6.647 10.237 -17.455 451 HA GLU 60 HA GLU 60 -8.661 11.983 -18.713 452 HB2 GLU 60 2HB GLU 60 -6.314 12.673 -19.135 453 HB3 GLU 60 3HB GLU 60 -6.009 11.105 -19.868 454 HG2 GLU 60 2HG GLU 60 -6.854 11.752 -21.812 455 HG3 GLU 60 3HG GLU 60 -8.310 12.388 -21.048 456 H ASP 61 H ASP 61 -7.250 8.814 -18.550 457 HA ASP 61 HA ASP 61 -8.657 7.823 -20.871 458 HB2 ASP 61 2HB ASP 61 -6.444 6.921 -20.237 459 HB3 ASP 61 3HB ASP 61 -7.136 6.313 -18.736 460 H GLU 62 H GLU 62 -10.803 7.651 -20.724 461 HA GLU 62 HA GLU 62 -11.908 6.064 -18.532 462 HB2 GLU 62 2HB GLU 62 -13.707 7.619 -18.111 463 HB3 GLU 62 3HB GLU 62 -12.171 8.448 -17.903 464 HG2 GLU 62 2HG GLU 62 -12.402 9.578 -19.976 465 HG3 GLU 62 3HG GLU 62 -13.782 8.583 -20.435 466 H GLY 63 H GLY 63 -11.446 6.181 -21.646 467 HA2 GLY 63 2HA GLY 63 -13.977 6.024 -22.868 468 HA3 GLY 63 3HA GLY 63 -12.493 5.331 -23.503 469 H GLN 64 H GLN 64 -12.180 3.168 -23.395 470 HA GLN 64 HA GLN 64 -14.137 1.591 -21.864 471 HB2 GLN 64 2HB GLN 64 -13.416 1.428 -24.749 472 HB3 GLN 64 3HB GLN 64 -13.732 -0.078 -23.898 473 HG2 GLN 64 2HG GLN 64 -15.906 0.235 -24.101 474 HG3 GLN 64 3HG GLN 64 -15.787 1.770 -23.243 475 HE21 GLN 64 2HE2 GLN 64 -17.159 2.101 -26.757 476 HE22 GLN 64 1HE2 GLN 64 -17.482 0.964 -25.498 477 H ILE 65 H ILE 65 -13.224 0.205 -20.506 478 HA ILE 65 HA ILE 65 -10.623 -0.965 -21.171 479 HB ILE 65 HB ILE 65 -10.060 0.907 -19.748 480 HG12 ILE 65 2HG1 ILE 65 -9.873 -1.267 -17.749 481 HG13 ILE 65 3HG1 ILE 65 -9.248 -1.645 -19.351 482 HG21 ILE 65 1HG2 ILE 65 -12.027 1.442 -18.607 483 HG22 ILE 65 2HG2 ILE 65 -12.219 -0.195 -17.984 484 HG23 ILE 65 3HG2 ILE 65 -10.950 0.848 -17.344 485 HD11 ILE 65 3HD1 ILE 65 -8.425 0.812 -17.840 486 HD12 ILE 65 1HD1 ILE 65 -7.601 -0.738 -17.667 487 HD13 ILE 65 2HD1 ILE 65 -7.645 0.068 -19.236 488 H ARG 66 H ARG 66 -10.289 -3.017 -20.385 489 HA ARG 66 HA ARG 66 -12.487 -4.200 -18.821 490 HB2 ARG 66 2HB ARG 66 -11.455 -4.946 -21.449 491 HB3 ARG 66 3HB ARG 66 -11.462 -6.290 -20.314 492 HG2 ARG 66 2HG ARG 66 -13.848 -4.562 -20.933 493 HG3 ARG 66 3HG ARG 66 -13.518 -6.131 -21.669 494 HD2 ARG 66 2HD ARG 66 -13.973 -5.581 -18.739 495 HD3 ARG 66 3HD ARG 66 -15.099 -6.369 -19.843 496 HE ARG 66 HE ARG 66 -12.820 -7.878 -19.968 497 HH11 ARG 66 1HH1 ARG 66 -14.980 -6.846 -17.440 498 HH12 ARG 66 2HH1 ARG 66 -14.712 -8.248 -16.459 499 HH21 ARG 66 2HH2 ARG 66 -13.276 -9.887 -17.168 500 HH22 ARG 66 1HH2 ARG 66 -12.458 -9.729 -18.685 501 H TYR 67 H TYR 67 -11.930 -5.897 -17.408 502 HA TYR 67 HA TYR 67 -9.162 -5.773 -16.499 503 HB2 TYR 67 2HB TYR 67 -11.459 -7.219 -15.177 504 HB3 TYR 67 3HB TYR 67 -9.936 -6.724 -14.448 505 HD1 TYR 67 HD1 TYR 67 -13.260 -5.641 -15.499 506 HD2 TYR 67 HD2 TYR 67 -9.546 -4.386 -13.847 507 HE1 TYR 67 HE1 TYR 67 -14.301 -3.534 -14.774 508 HE2 TYR 67 HE2 TYR 67 -10.577 -2.276 -13.116 509 HH TYR 67 HH TYR 67 -12.573 -1.225 -12.771 510 H PHE 68 H PHE 68 -7.769 -7.198 -17.280 511 HA PHE 68 HA PHE 68 -8.739 -9.846 -18.098 512 HB2 PHE 68 2HB PHE 68 -7.134 -8.050 -19.436 513 HB3 PHE 68 3HB PHE 68 -5.965 -9.180 -18.761 514 HD1 PHE 68 HD1 PHE 68 -9.314 -9.379 -20.404 515 HD2 PHE 68 HD2 PHE 68 -5.333 -10.866 -20.168 516 HE1 PHE 68 HE1 PHE 68 -9.800 -10.961 -22.225 517 HE2 PHE 68 HE2 PHE 68 -5.812 -12.449 -21.989 518 HZ PHE 68 HZ PHE 68 -8.048 -12.498 -23.020 519 H LEU 69 H LEU 69 -7.823 -11.723 -17.325 520 HA LEU 69 HA LEU 69 -5.496 -11.964 -15.823 521 HB2 LEU 69 2HB LEU 69 -7.428 -10.640 -14.363 522 HB3 LEU 69 3HB LEU 69 -7.570 -12.308 -13.811 523 HG LEU 69 HG LEU 69 -6.104 -11.024 -12.356 524 HD11 LEU 69 1HD1 LEU 69 -4.022 -12.463 -12.639 525 HD12 LEU 69 2HD1 LEU 69 -4.844 -13.176 -14.027 526 HD13 LEU 69 3HD1 LEU 69 -5.558 -13.302 -12.419 527 HD21 LEU 69 3HD2 LEU 69 -4.456 -10.590 -14.845 528 HD22 LEU 69 1HD2 LEU 69 -3.939 -10.202 -13.204 529 HD23 LEU 69 2HD2 LEU 69 -5.312 -9.357 -13.918 530 HA PRO 70 HA PRO 70 -8.241 -15.886 -15.140 531 HB2 PRO 70 2HB PRO 70 -10.801 -15.776 -16.036 532 HB3 PRO 70 3HB PRO 70 -10.335 -15.296 -14.400 533 HG2 PRO 70 2HG PRO 70 -10.845 -13.585 -16.803 534 HG3 PRO 70 3HG PRO 70 -11.354 -13.335 -15.123 535 HD2 PRO 70 2HD PRO 70 -9.229 -12.054 -16.207 536 HD3 PRO 70 3HD PRO 70 -9.299 -12.505 -14.491 537 H ASP 71 H ASP 71 -8.188 -13.948 -17.953 538 HA ASP 71 HA ASP 71 -8.080 -14.393 -20.187 539 HB2 ASP 71 2HB ASP 71 -6.986 -17.072 -19.317 540 HB3 ASP 71 3HB ASP 71 -6.658 -16.218 -20.822 541 H ARG 72 H ARG 72 -10.594 -14.894 -19.083 542 HA ARG 72 HA ARG 72 -11.548 -16.976 -20.908 543 HB2 ARG 72 2HB ARG 72 -11.355 -17.579 -18.303 544 HB3 ARG 72 3HB ARG 72 -12.925 -16.787 -18.284 545 HG2 ARG 72 2HG ARG 72 -13.930 -18.433 -19.487 546 HG3 ARG 72 3HG ARG 72 -12.453 -18.852 -20.357 547 HD2 ARG 72 2HD ARG 72 -11.655 -20.172 -18.632 548 HD3 ARG 72 3HD ARG 72 -12.650 -19.364 -17.420 549 HE ARG 72 HE ARG 72 -14.252 -20.735 -19.326 550 HH11 ARG 72 1HH1 ARG 72 -12.239 -21.221 -16.527 551 HH12 ARG 72 2HH1 ARG 72 -13.051 -22.670 -16.033 552 HH21 ARG 72 2HH2 ARG 72 -14.807 -23.477 -17.263 553 HH22 ARG 72 1HH2 ARG 72 -15.328 -22.641 -18.686 554 H ASP 73 H ASP 73 -11.518 -13.990 -20.817 555 HA ASP 73 HA ASP 73 -14.365 -13.367 -20.600 556 HB2 ASP 73 2HB ASP 73 -12.613 -11.852 -19.608 557 HB3 ASP 73 3HB ASP 73 -12.094 -11.482 -21.250 558 H GLU 74 H GLU 74 -13.460 -15.103 -22.712 559 HA GLU 74 HA GLU 74 -13.756 -15.441 -24.942 560 HB2 GLU 74 2HB GLU 74 -15.364 -12.885 -24.857 561 HB3 GLU 74 3HB GLU 74 -15.467 -14.155 -26.068 562 HG2 GLU 74 2HG GLU 74 -16.210 -15.706 -24.253 563 HG3 GLU 74 3HG GLU 74 -16.297 -14.308 -23.184 564 H GLY 75 H GLY 75 -11.374 -14.226 -24.257 565 HA2 GLY 75 2HA GLY 75 -10.889 -12.603 -26.663 566 HA3 GLY 75 3HA GLY 75 -10.317 -12.025 -25.105 567 H MET 76 H MET 76 -9.568 -14.616 -24.091 568 HA MET 76 HA MET 76 -6.914 -14.738 -24.826 569 HB2 MET 76 2HB MET 76 -6.765 -16.747 -23.599 570 HB3 MET 76 3HB MET 76 -8.063 -15.838 -22.835 571 HG2 MET 76 2HG MET 76 -9.139 -17.801 -22.961 572 HG3 MET 76 3HG MET 76 -9.490 -17.260 -24.600 573 HE1 MET 76 3HE MET 76 -9.250 -20.907 -24.925 574 HE2 MET 76 1HE MET 76 -8.522 -20.915 -23.318 575 HE3 MET 76 2HE MET 76 -9.892 -19.857 -23.661 576 H MET 77 H MET 77 -9.683 -16.158 -26.383 577 HA MET 77 HA MET 77 -8.339 -18.085 -27.950 578 HB2 MET 77 2HB MET 77 -10.364 -18.068 -29.348 579 HB3 MET 77 3HB MET 77 -10.752 -18.156 -27.635 580 HG2 MET 77 2HG MET 77 -11.123 -15.677 -27.694 581 HG3 MET 77 3HG MET 77 -10.969 -15.770 -29.447 582 HE1 MET 77 3HE MET 77 -13.777 -16.198 -30.864 583 HE2 MET 77 1HE MET 77 -14.417 -15.100 -29.640 584 HE3 MET 77 2HE MET 77 -12.751 -14.930 -30.191 585 H GLU 78 H GLU 78 -9.089 -14.676 -28.466 586 HA GLU 78 HA GLU 78 -7.882 -14.729 -31.114 587 HB2 GLU 78 2HB GLU 78 -9.719 -12.996 -29.687 588 HB3 GLU 78 3HB GLU 78 -8.424 -12.075 -30.440 589 HG2 GLU 78 2HG GLU 78 -9.037 -12.696 -32.572 590 HG3 GLU 78 3HG GLU 78 -9.885 -14.139 -32.020 591 H GLU 79 H GLU 79 -7.037 -13.985 -27.869 592 HA GLU 79 HA GLU 79 -4.620 -12.562 -28.747 593 HB2 GLU 79 2HB GLU 79 -5.786 -12.784 -25.966 594 HB3 GLU 79 3HB GLU 79 -4.407 -11.801 -26.439 595 HG2 GLU 79 2HG GLU 79 -7.297 -11.417 -27.132 596 HG3 GLU 79 3HG GLU 79 -6.212 -10.319 -26.280 597 H GLY 80 H GLY 80 -5.223 -15.548 -28.708 598 HA2 GLY 80 2HA GLY 80 -2.633 -16.328 -27.680 599 HA3 GLY 80 3HA GLY 80 -3.994 -17.024 -26.813 600 H LYS 81 H LYS 81 -5.734 -17.363 -29.024 601 HA LYS 81 HA LYS 81 -4.390 -19.622 -30.330 602 HB2 LYS 81 2HB LYS 81 -7.164 -19.068 -29.458 603 HB3 LYS 81 3HB LYS 81 -6.995 -19.962 -30.964 604 HG2 LYS 81 2HG LYS 81 -5.690 -20.757 -28.371 605 HG3 LYS 81 3HG LYS 81 -7.232 -21.391 -28.950 606 HD2 LYS 81 2HD LYS 81 -6.119 -22.930 -30.105 607 HD3 LYS 81 3HD LYS 81 -5.411 -21.642 -31.083 608 HE2 LYS 81 2HE LYS 81 -3.528 -21.474 -29.631 609 HE3 LYS 81 3HE LYS 81 -4.280 -22.528 -28.435 610 HZ1 LYS 81 3HZ LYS 81 -2.951 -24.029 -29.456 611 HZ2 LYS 81 1HZ LYS 81 -2.945 -23.212 -30.937 612 HZ3 LYS 81 2HZ LYS 81 -4.277 -24.157 -30.499 613 H LEU 82 H LEU 82 -4.352 -16.679 -31.098 614 HA LEU 82 HA LEU 82 -5.148 -17.086 -33.902 615 HB2 LEU 82 2HB LEU 82 -6.651 -15.532 -32.573 616 HB3 LEU 82 3HB LEU 82 -5.276 -14.433 -32.492 617 HG LEU 82 HG LEU 82 -5.316 -14.606 -35.086 618 HD11 LEU 82 1HD1 LEU 82 -6.901 -15.903 -35.940 619 HD12 LEU 82 2HD1 LEU 82 -8.093 -14.756 -35.329 620 HD13 LEU 82 3HD1 LEU 82 -7.631 -16.151 -34.354 621 HD21 LEU 82 3HD2 LEU 82 -6.279 -12.564 -35.082 622 HD22 LEU 82 1HD2 LEU 82 -6.155 -12.751 -33.332 623 HD23 LEU 82 2HD2 LEU 82 -7.677 -13.104 -34.150 624 H ASP 83 H ASP 83 -3.303 -14.794 -31.881 625 HA ASP 83 HA ASP 83 -1.141 -14.936 -33.881 626 HB2 ASP 83 2HB ASP 83 -1.452 -12.605 -32.022 627 HB3 ASP 83 3HB ASP 83 -0.686 -12.672 -33.606 628 H ALA 84 H ALA 84 0.724 -15.754 -33.206 629 HA ALA 84 HA ALA 84 1.131 -16.818 -30.667 630 HB1 ALA 84 1HB ALA 84 2.573 -16.666 -33.107 631 HB2 ALA 84 2HB ALA 84 3.666 -16.225 -31.795 632 HB3 ALA 84 3HB ALA 84 2.814 -17.769 -31.751 633 H SER 85 H SER 85 1.722 -13.613 -31.888 634 HA SER 85 HA SER 85 3.537 -12.732 -29.917 635 HB2 SER 85 2HB SER 85 2.212 -11.612 -32.157 636 HB3 SER 85 3HB SER 85 1.854 -10.574 -30.778 637 HG SER 85 HG SER 85 4.055 -10.336 -30.424 638 H CYS 86 H CYS 86 0.011 -12.743 -30.076 639 HA CYS 86 HA CYS 86 -0.412 -11.252 -27.704 640 HB2 CYS 86 2HB CYS 86 -2.224 -13.243 -29.084 641 HB3 CYS 86 3HB CYS 86 -2.723 -12.115 -27.829 642 HG CYS 86 HG CYS 86 -1.902 -9.871 -29.494 643 H ALA 87 H ALA 87 -0.364 -14.738 -28.373 644 HA ALA 87 HA ALA 87 -0.988 -15.608 -25.780 645 HB1 ALA 87 1HB ALA 87 0.841 -17.371 -27.200 646 HB2 ALA 87 2HB ALA 87 -0.820 -17.646 -26.673 647 HB3 ALA 87 3HB ALA 87 -0.505 -16.823 -28.200 648 H VAL 88 H VAL 88 2.116 -14.881 -27.314 649 HA VAL 88 HA VAL 88 3.739 -15.756 -25.165 650 HB VAL 88 HB VAL 88 4.309 -13.776 -27.372 651 HG11 VAL 88 1HG1 VAL 88 6.744 -14.543 -26.673 652 HG12 VAL 88 2HG1 VAL 88 5.948 -13.167 -25.905 653 HG13 VAL 88 3HG1 VAL 88 5.966 -14.738 -25.102 654 HG21 VAL 88 3HG2 VAL 88 3.937 -16.479 -27.533 655 HG22 VAL 88 1HG2 VAL 88 4.885 -15.513 -28.664 656 HG23 VAL 88 2HG2 VAL 88 5.686 -16.357 -27.338 657 H ALA 89 H ALA 89 2.461 -12.574 -26.070 658 HA ALA 89 HA ALA 89 3.732 -11.063 -24.089 659 HB1 ALA 89 1HB ALA 89 1.177 -9.941 -24.540 660 HB2 ALA 89 2HB ALA 89 2.724 -9.454 -25.234 661 HB3 ALA 89 3HB ALA 89 1.721 -10.644 -26.063 662 H ILE 90 H ILE 90 0.591 -12.717 -24.053 663 HA ILE 90 HA ILE 90 -0.170 -11.871 -21.468 664 HB ILE 90 HB ILE 90 -1.019 -14.329 -23.005 665 HG12 ILE 90 2HG1 ILE 90 -2.518 -11.734 -22.647 666 HG13 ILE 90 3HG1 ILE 90 -1.446 -12.026 -24.013 667 HG21 ILE 90 1HG2 ILE 90 -1.788 -14.913 -20.957 668 HG22 ILE 90 2HG2 ILE 90 -1.789 -13.254 -20.362 669 HG23 ILE 90 3HG2 ILE 90 -3.098 -13.818 -21.401 670 HD11 ILE 90 3HD1 ILE 90 -4.120 -13.124 -23.426 671 HD12 ILE 90 1HD1 ILE 90 -3.383 -12.676 -24.965 672 HD13 ILE 90 2HD1 ILE 90 -2.963 -14.208 -24.198 673 H GLU 91 H GLU 91 1.355 -14.870 -22.621 674 HA GLU 91 HA GLU 91 1.508 -16.199 -20.178 675 HB2 GLU 91 2HB GLU 91 2.770 -16.427 -22.806 676 HB3 GLU 91 3HB GLU 91 3.806 -16.974 -21.496 677 HG2 GLU 91 2HG GLU 91 2.136 -18.543 -20.764 678 HG3 GLU 91 3HG GLU 91 0.992 -17.933 -21.958 679 H GLU 92 H GLU 92 3.625 -13.769 -21.591 680 HA GLU 92 HA GLU 92 5.681 -14.006 -19.634 681 HB2 GLU 92 2HB GLU 92 4.998 -11.786 -21.566 682 HB3 GLU 92 3HB GLU 92 6.428 -11.789 -20.542 683 HG2 GLU 92 2HG GLU 92 6.312 -14.264 -21.937 684 HG3 GLU 92 3HG GLU 92 6.086 -12.951 -23.091 685 H ALA 93 H ALA 93 2.939 -11.798 -20.060 686 HA ALA 93 HA ALA 93 3.443 -10.087 -17.920 687 HB1 ALA 93 1HB ALA 93 1.276 -10.610 -19.721 688 HB2 ALA 93 2HB ALA 93 0.655 -10.360 -18.088 689 HB3 ALA 93 3HB ALA 93 1.668 -9.130 -18.844 690 H ILE 94 H ILE 94 1.618 -13.129 -18.011 691 HA ILE 94 HA ILE 94 0.906 -13.040 -15.247 692 HB ILE 94 HB ILE 94 0.177 -15.361 -15.545 693 HG12 ILE 94 2HG1 ILE 94 1.421 -15.076 -18.288 694 HG13 ILE 94 3HG1 ILE 94 1.944 -16.166 -17.009 695 HG21 ILE 94 1HG2 ILE 94 -0.802 -14.145 -18.045 696 HG22 ILE 94 2HG2 ILE 94 -1.694 -14.761 -16.654 697 HG23 ILE 94 3HG2 ILE 94 -0.961 -13.158 -16.592 698 HD11 ILE 94 3HD1 ILE 94 -0.190 -16.457 -18.971 699 HD12 ILE 94 1HD1 ILE 94 0.710 -17.682 -18.076 700 HD13 ILE 94 2HD1 ILE 94 -0.668 -16.875 -17.325 701 H GLN 95 H GLN 95 3.529 -14.465 -17.097 702 HA GLN 95 HA GLN 95 4.563 -16.127 -15.064 703 HB2 GLN 95 2HB GLN 95 5.169 -16.362 -17.438 704 HB3 GLN 95 3HB GLN 95 6.012 -14.820 -17.373 705 HG2 GLN 95 2HG GLN 95 7.680 -16.450 -17.205 706 HG3 GLN 95 3HG GLN 95 7.456 -15.843 -15.565 707 HE21 GLN 95 2HE2 GLN 95 6.723 -19.710 -16.488 708 HE22 GLN 95 1HE2 GLN 95 7.150 -18.541 -17.686 709 H LEU 96 H LEU 96 4.924 -12.728 -15.765 710 HA LEU 96 HA LEU 96 7.109 -12.392 -13.893 711 HB2 LEU 96 2HB LEU 96 5.500 -10.460 -15.545 712 HB3 LEU 96 3HB LEU 96 6.750 -9.949 -14.414 713 HG LEU 96 HG LEU 96 7.300 -11.812 -16.713 714 HD11 LEU 96 1HD1 LEU 96 7.977 -9.975 -18.039 715 HD12 LEU 96 2HD1 LEU 96 7.774 -8.842 -16.703 716 HD13 LEU 96 3HD1 LEU 96 6.360 -9.592 -17.446 717 HD21 LEU 96 3HD2 LEU 96 9.260 -11.974 -15.674 718 HD22 LEU 96 1HD2 LEU 96 8.828 -10.712 -14.519 719 HD23 LEU 96 2HD2 LEU 96 9.529 -10.278 -16.078 720 H TYR 97 H TYR 97 3.669 -11.576 -14.089 721 HA TYR 97 HA TYR 97 3.467 -10.138 -11.699 722 HB2 TYR 97 2HB TYR 97 1.654 -10.069 -13.260 723 HB3 TYR 97 3HB TYR 97 1.443 -11.815 -13.188 724 HD1 TYR 97 HD1 TYR 97 1.489 -8.922 -10.811 725 HD2 TYR 97 HD2 TYR 97 -0.364 -12.569 -11.981 726 HE1 TYR 97 HE1 TYR 97 -0.179 -8.640 -9.026 727 HE2 TYR 97 HE2 TYR 97 -2.038 -12.297 -10.199 728 HH TYR 97 HH TYR 97 -2.646 -11.110 -8.410 729 H GLU 98 H GLU 98 3.137 -13.607 -12.339 730 HA GLU 98 HA GLU 98 2.530 -14.256 -9.615 731 HB2 GLU 98 2HB GLU 98 2.816 -15.689 -12.152 732 HB3 GLU 98 3HB GLU 98 3.412 -16.597 -10.769 733 HG2 GLU 98 2HG GLU 98 1.179 -16.044 -9.666 734 HG3 GLU 98 3HG GLU 98 0.645 -15.569 -11.278 735 H GLU 99 H GLU 99 5.391 -13.616 -11.356 736 HA GLU 99 HA GLU 99 7.122 -15.162 -9.625 737 HB2 GLU 99 2HB GLU 99 7.721 -14.889 -11.976 738 HB3 GLU 99 3HB GLU 99 7.757 -13.142 -11.783 739 HG2 GLU 99 2HG GLU 99 9.501 -14.737 -10.003 740 HG3 GLU 99 3HG GLU 99 9.945 -14.640 -11.706 741 H GLN 100 H GLN 100 5.937 -11.901 -9.886 742 HA GLN 100 HA GLN 100 7.798 -10.977 -7.825 743 HB2 GLN 100 2HB GLN 100 6.117 -9.657 -9.883 744 HB3 GLN 100 3HB GLN 100 6.353 -8.781 -8.377 745 HG2 GLN 100 2HG GLN 100 8.555 -9.831 -10.140 746 HG3 GLN 100 3HG GLN 100 7.984 -8.163 -10.097 747 HE21 GLN 100 2HE2 GLN 100 10.801 -9.359 -7.581 748 HE22 GLN 100 1HE2 GLN 100 10.283 -10.232 -8.979 749 H LEU 101 H LEU 101 4.432 -11.707 -8.369 750 HA LEU 101 HA LEU 101 3.224 -10.417 -6.238 751 HB2 LEU 101 2HB LEU 101 1.928 -11.552 -7.909 752 HB3 LEU 101 3HB LEU 101 2.626 -13.106 -7.457 753 HG LEU 101 HG LEU 101 1.506 -12.673 -5.163 754 HD11 LEU 101 1HD1 LEU 101 0.646 -10.375 -6.652 755 HD12 LEU 101 2HD1 LEU 101 0.391 -10.768 -4.952 756 HD13 LEU 101 3HD1 LEU 101 -0.744 -11.348 -6.170 757 HD21 LEU 101 3HD2 LEU 101 -0.395 -13.175 -7.427 758 HD22 LEU 101 1HD2 LEU 101 -0.346 -13.922 -5.830 759 HD23 LEU 101 2HD2 LEU 101 0.884 -14.324 -7.029 760 H LYS 102 H LYS 102 4.783 -13.606 -6.296 761 HA LYS 102 HA LYS 102 4.271 -14.247 -3.595 762 HB2 LYS 102 2HB LYS 102 6.099 -15.917 -3.888 763 HB3 LYS 102 3HB LYS 102 4.868 -15.989 -5.143 764 HG2 LYS 102 2HG LYS 102 6.621 -16.034 -6.532 765 HG3 LYS 102 3HG LYS 102 6.647 -14.288 -6.272 766 HD2 LYS 102 2HD LYS 102 8.574 -14.378 -5.129 767 HD3 LYS 102 3HD LYS 102 8.067 -15.799 -4.213 768 HE2 LYS 102 2HE LYS 102 8.516 -17.140 -6.315 769 HE3 LYS 102 3HE LYS 102 9.298 -15.696 -6.957 770 HZ1 LYS 102 3HZ LYS 102 10.140 -17.423 -4.729 771 HZ2 LYS 102 1HZ LYS 102 10.626 -15.803 -4.760 772 HZ3 LYS 102 2HZ LYS 102 11.048 -16.837 -6.030 773 H ALA 103 H ALA 103 7.038 -12.718 -5.195 774 HA ALA 103 HA ALA 103 8.796 -12.568 -3.062 775 HB1 ALA 103 1HB ALA 103 9.394 -11.955 -5.351 776 HB2 ALA 103 2HB ALA 103 8.387 -10.512 -5.230 777 HB3 ALA 103 3HB ALA 103 9.817 -10.677 -4.211 778 H GLN 104 H GLN 104 5.959 -10.637 -3.753 779 HA GLN 104 HA GLN 104 6.500 -9.002 -1.369 780 HB2 GLN 104 2HB GLN 104 4.432 -8.416 -3.480 781 HB3 GLN 104 3HB GLN 104 5.089 -7.320 -2.273 782 HG2 GLN 104 2HG GLN 104 7.291 -8.194 -3.742 783 HG3 GLN 104 3HG GLN 104 6.022 -7.898 -4.930 784 HE21 GLN 104 2HE2 GLN 104 8.097 -4.838 -3.861 785 HE22 GLN 104 1HE2 GLN 104 8.585 -6.487 -4.028 786 H ALA 105 H ALA 105 5.298 -11.780 -1.625 787 HA ALA 105 HA ALA 105 2.799 -11.207 -0.170 788 HB1 ALA 105 1HB ALA 105 2.332 -12.227 -2.336 789 HB2 ALA 105 2HB ALA 105 3.382 -13.585 -1.931 790 HB3 ALA 105 3HB ALA 105 1.899 -13.314 -1.016 791 H GLY 106 H GLY 106 5.625 -11.606 0.759 792 HA2 GLY 106 2HA GLY 106 6.441 -12.451 2.764 793 HA3 GLY 106 3HA GLY 106 4.982 -13.417 2.919 794 H GLY 107 H GLY 107 6.668 -13.621 -0.072 795 HA2 GLY 107 2HA GLY 107 8.206 -15.179 -0.873 796 HA3 GLY 107 3HA GLY 107 8.311 -15.868 0.740 797 H THR 108 H THR 108 5.632 -15.392 -1.562 798 HA THR 108 HA THR 108 4.142 -16.853 -2.478 799 HB THR 108 HB THR 108 5.797 -19.212 -1.666 800 HG1 THR 108 HG1 THR 108 7.169 -18.781 -3.452 801 HG21 THR 108 3HG2 THR 108 5.110 -20.037 -3.859 802 HG22 THR 108 1HG2 THR 108 4.309 -18.504 -4.198 803 HG23 THR 108 2HG2 THR 108 3.706 -19.548 -2.910 804 H ASN 109 H ASN 109 3.139 -16.044 -0.306 805 HA ASN 109 HA ASN 109 1.849 -16.459 1.526 806 HB2 ASN 109 2HB ASN 109 1.488 -19.259 0.484 807 HB3 ASN 109 3HB ASN 109 0.322 -18.236 1.318 808 HD21 ASN 109 2HD2 ASN 109 0.342 -18.360 -2.626 809 HD22 ASN 109 1HD2 ASN 109 1.104 -19.506 -1.581 810 H GLU 110 H GLU 110 4.690 -17.027 1.759 811 HA GLU 110 HA GLU 110 4.631 -19.162 3.789 812 HB2 GLU 110 2HB GLU 110 6.203 -19.208 1.660 813 HB3 GLU 110 3HB GLU 110 7.199 -18.151 2.652 814 HG2 GLU 110 2HG GLU 110 7.245 -19.854 4.409 815 HG3 GLU 110 3HG GLU 110 6.270 -20.916 3.395 Start of MODEL 19 1 H1 MET 1 H MET 1 0.538 5.177 -0.375 2 HA MET 1 HA MET 1 1.879 5.387 -2.291 3 HB2 MET 1 2HB MET 1 2.787 2.988 -3.114 4 HB3 MET 1 3HB MET 1 3.678 4.035 -2.017 5 HG2 MET 1 2HG MET 1 1.759 2.107 -0.839 6 HG3 MET 1 3HG MET 1 3.264 1.478 -1.504 7 HE1 MET 1 3HE MET 1 5.188 1.352 -0.630 8 HE2 MET 1 1HE MET 1 5.933 2.900 -0.234 9 HE3 MET 1 2HE MET 1 5.651 1.708 1.035 10 H ILE 2 H ILE 2 0.694 2.040 -2.455 11 HA ILE 2 HA ILE 2 -0.727 1.020 -3.917 12 HB ILE 2 HB ILE 2 -2.282 3.590 -3.601 13 HG12 ILE 2 2HG1 ILE 2 -1.753 2.526 -1.446 14 HG13 ILE 2 3HG1 ILE 2 -3.472 2.421 -1.808 15 HG21 ILE 2 1HG2 ILE 2 -2.740 1.374 -5.268 16 HG22 ILE 2 2HG2 ILE 2 -3.886 1.243 -3.935 17 HG23 ILE 2 3HG2 ILE 2 -3.838 2.708 -4.916 18 HD11 ILE 2 3HD1 ILE 2 -1.570 0.328 -1.303 19 HD12 ILE 2 1HD1 ILE 2 -3.330 0.255 -1.385 20 HD13 ILE 2 2HD1 ILE 2 -2.370 0.092 -2.856 21 HA PRO 3 HA PRO 3 0.968 3.446 -7.523 22 HB2 PRO 3 2HB PRO 3 2.421 1.392 -8.542 23 HB3 PRO 3 3HB PRO 3 3.052 2.501 -7.320 24 HG2 PRO 3 2HG PRO 3 1.917 -0.248 -6.978 25 HG3 PRO 3 3HG PRO 3 3.348 0.474 -6.219 26 HD2 PRO 3 2HD PRO 3 0.971 0.264 -4.940 27 HD3 PRO 3 3HD PRO 3 2.099 1.602 -4.644 28 H SER 4 H SER 4 -1.223 3.402 -8.287 29 HA SER 4 HA SER 4 -2.810 2.877 -9.834 30 HB2 SER 4 2HB SER 4 -0.432 2.080 -11.004 31 HB3 SER 4 3HB SER 4 -1.440 0.638 -11.120 32 HG SER 4 HG SER 4 -3.058 1.992 -12.079 33 H PHE 5 H PHE 5 -2.627 1.514 -7.256 34 HA PHE 5 HA PHE 5 -3.523 -0.239 -6.104 35 HB2 PHE 5 2HB PHE 5 -5.415 0.703 -7.997 36 HB3 PHE 5 3HB PHE 5 -5.562 -1.051 -7.945 37 HD1 PHE 5 HD1 PHE 5 -5.135 -1.790 -5.236 38 HD2 PHE 5 HD2 PHE 5 -7.092 1.665 -6.768 39 HE1 PHE 5 HE1 PHE 5 -6.450 -1.620 -3.163 40 HE2 PHE 5 HE2 PHE 5 -8.409 1.842 -4.697 41 HZ PHE 5 HZ PHE 5 -8.088 0.199 -2.891 42 H ALA 6 H ALA 6 -1.940 -1.790 -6.144 43 HA ALA 6 HA ALA 6 -1.019 -3.831 -6.558 44 HB1 ALA 6 1HB ALA 6 -3.294 -4.464 -8.407 45 HB2 ALA 6 2HB ALA 6 -2.365 -5.552 -7.375 46 HB3 ALA 6 3HB ALA 6 -3.514 -4.423 -6.657 47 HA PRO 7 HA PRO 7 0.789 -2.238 -10.465 48 HB2 PRO 7 2HB PRO 7 3.357 -2.616 -9.672 49 HB3 PRO 7 3HB PRO 7 2.427 -1.171 -9.258 50 HG2 PRO 7 2HG PRO 7 2.979 -3.607 -7.607 51 HG3 PRO 7 3HG PRO 7 3.015 -1.900 -7.129 52 HD2 PRO 7 2HD PRO 7 0.920 -3.523 -6.576 53 HD3 PRO 7 3HD PRO 7 0.725 -1.788 -6.892 54 H GLY 8 H GLY 8 0.684 -3.669 -12.079 55 HA2 GLY 8 2HA GLY 8 2.068 -5.419 -13.184 56 HA3 GLY 8 3HA GLY 8 1.952 -6.309 -11.673 57 H THR 9 H THR 9 -0.874 -4.620 -12.566 58 HA THR 9 HA THR 9 -2.246 -7.133 -13.044 59 HB THR 9 HB THR 9 -3.611 -4.468 -13.162 60 HG1 THR 9 HG1 THR 9 -3.194 -4.095 -11.126 61 HG21 THR 9 3HG2 THR 9 -4.385 -7.209 -12.161 62 HG22 THR 9 1HG2 THR 9 -4.964 -6.410 -13.622 63 HG23 THR 9 2HG2 THR 9 -5.406 -5.778 -12.036 64 H LEU 10 H LEU 10 -2.939 -7.856 -14.964 65 HA LEU 10 HA LEU 10 -2.320 -6.260 -17.329 66 HB2 LEU 10 2HB LEU 10 -1.684 -8.741 -16.939 67 HB3 LEU 10 3HB LEU 10 -3.360 -9.067 -17.376 68 HG LEU 10 HG LEU 10 -1.463 -7.564 -19.166 69 HD11 LEU 10 1HD1 LEU 10 -2.081 -10.269 -19.983 70 HD12 LEU 10 2HD1 LEU 10 -1.208 -10.229 -18.451 71 HD13 LEU 10 3HD1 LEU 10 -0.523 -9.448 -19.876 72 HD21 LEU 10 3HD2 LEU 10 -3.597 -7.121 -19.921 73 HD22 LEU 10 1HD2 LEU 10 -4.217 -8.693 -19.416 74 HD23 LEU 10 2HD2 LEU 10 -3.185 -8.569 -20.842 75 H VAL 11 H VAL 11 -3.827 -5.215 -18.442 76 HA VAL 11 HA VAL 11 -6.621 -6.117 -18.251 77 HB VAL 11 HB VAL 11 -7.347 -3.739 -18.265 78 HG11 VAL 11 1HG1 VAL 11 -7.331 -3.576 -15.984 79 HG12 VAL 11 2HG1 VAL 11 -6.853 -5.265 -16.170 80 HG13 VAL 11 3HG1 VAL 11 -5.633 -4.031 -15.852 81 HG21 VAL 11 3HG2 VAL 11 -5.579 -2.088 -17.447 82 HG22 VAL 11 1HG2 VAL 11 -4.392 -3.277 -17.984 83 HG23 VAL 11 2HG2 VAL 11 -5.514 -2.564 -19.144 84 H TRP 12 H TRP 12 -7.913 -4.577 -19.930 85 HA TRP 12 HA TRP 12 -6.429 -4.773 -22.469 86 HB2 TRP 12 2HB TRP 12 -9.159 -5.642 -21.701 87 HB3 TRP 12 3HB TRP 12 -8.988 -4.917 -23.297 88 HD1 TRP 12 HD1 TRP 12 -6.098 -6.167 -23.982 89 HE1 TRP 12 HE1 TRP 12 -5.943 -8.670 -24.558 90 HE3 TRP 12 HE3 TRP 12 -10.454 -7.765 -21.834 91 HZ2 TRP 12 HZ2 TRP 12 -7.466 -11.013 -24.156 92 HZ3 TRP 12 HZ3 TRP 12 -11.031 -10.153 -21.975 93 HH2 TRP 12 HH2 TRP 12 -9.567 -11.741 -23.113 94 H LEU 13 H LEU 13 -6.353 -3.020 -23.749 95 HA LEU 13 HA LEU 13 -7.957 -0.683 -22.943 96 HB2 LEU 13 2HB LEU 13 -5.229 -0.903 -22.992 97 HB3 LEU 13 3HB LEU 13 -5.572 -0.168 -24.557 98 HG LEU 13 HG LEU 13 -7.009 1.176 -22.441 99 HD11 LEU 13 1HD1 LEU 13 -4.043 1.460 -22.198 100 HD12 LEU 13 2HD1 LEU 13 -4.904 0.240 -21.261 101 HD13 LEU 13 3HD1 LEU 13 -5.311 1.946 -21.073 102 HD21 LEU 13 3HD2 LEU 13 -6.273 1.858 -24.854 103 HD22 LEU 13 1HD2 LEU 13 -4.790 2.363 -24.044 104 HD23 LEU 13 2HD2 LEU 13 -6.337 3.065 -23.569 105 H LYS 14 H LYS 14 -9.512 -0.224 -24.339 106 HA LYS 14 HA LYS 14 -9.135 -0.920 -27.171 107 HB2 LYS 14 2HB LYS 14 -11.119 -1.811 -25.769 108 HB3 LYS 14 3HB LYS 14 -11.767 -0.182 -25.918 109 HG2 LYS 14 2HG LYS 14 -11.853 -0.364 -28.302 110 HG3 LYS 14 3HG LYS 14 -11.001 -1.910 -28.261 111 HD2 LYS 14 2HD LYS 14 -13.073 -2.786 -28.347 112 HD3 LYS 14 3HD LYS 14 -13.099 -2.428 -26.618 113 HE2 LYS 14 2HE LYS 14 -15.115 -1.575 -27.570 114 HE3 LYS 14 3HE LYS 14 -14.084 -0.200 -27.177 115 HZ1 LYS 14 3HZ LYS 14 -13.703 0.260 -29.367 116 HZ2 LYS 14 1HZ LYS 14 -15.273 -0.361 -29.477 117 HZ3 LYS 14 2HZ LYS 14 -13.948 -1.334 -29.879 118 H GLN 15 H GLN 15 -8.716 0.677 -28.535 119 HA GLN 15 HA GLN 15 -8.866 3.418 -27.727 120 HB2 GLN 15 2HB GLN 15 -7.633 1.906 -29.836 121 HB3 GLN 15 3HB GLN 15 -8.490 3.279 -30.523 122 HG2 GLN 15 2HG GLN 15 -6.584 4.369 -30.102 123 HG3 GLN 15 3HG GLN 15 -7.225 4.474 -28.463 124 HE21 GLN 15 2HE2 GLN 15 -4.941 2.201 -27.072 125 HE22 GLN 15 1HE2 GLN 15 -6.486 2.954 -26.900 126 H ASP 16 H ASP 16 -9.754 4.945 -29.643 127 HA ASP 16 HA ASP 16 -12.562 4.791 -29.464 128 HB2 ASP 16 2HB ASP 16 -10.790 6.448 -31.269 129 HB3 ASP 16 3HB ASP 16 -12.532 6.669 -31.121 130 H ARG 17 H ARG 17 -10.483 4.504 -32.352 131 HA ARG 17 HA ARG 17 -12.636 2.965 -33.638 132 HB2 ARG 17 2HB ARG 17 -10.750 4.988 -34.591 133 HB3 ARG 17 3HB ARG 17 -10.816 3.564 -35.621 134 HG2 ARG 17 2HG ARG 17 -13.319 3.843 -35.650 135 HG3 ARG 17 3HG ARG 17 -13.066 5.409 -34.876 136 HD2 ARG 17 2HD ARG 17 -12.089 4.505 -37.577 137 HD3 ARG 17 3HD ARG 17 -13.251 5.784 -37.223 138 HE ARG 17 HE ARG 17 -10.971 6.563 -35.944 139 HH11 ARG 17 1HH1 ARG 17 -11.783 5.697 -39.217 140 HH12 ARG 17 2HH1 ARG 17 -10.588 6.733 -39.926 141 HH21 ARG 17 2HH2 ARG 17 -9.229 8.001 -38.587 142 HH22 ARG 17 1HH2 ARG 17 -9.394 7.930 -36.865 143 H PHE 18 H PHE 18 -9.398 2.829 -32.479 144 HA PHE 18 HA PHE 18 -8.622 0.517 -34.001 145 HB2 PHE 18 2HB PHE 18 -7.373 2.341 -32.114 146 HB3 PHE 18 3HB PHE 18 -6.940 0.667 -31.783 147 HD1 PHE 18 HD1 PHE 18 -7.553 2.484 -34.978 148 HD2 PHE 18 HD2 PHE 18 -4.804 0.315 -32.559 149 HE1 PHE 18 HE1 PHE 18 -5.899 2.559 -36.798 150 HE2 PHE 18 HE2 PHE 18 -3.145 0.387 -34.374 151 HZ PHE 18 HZ PHE 18 -3.691 1.510 -36.497 152 HA PRO 19 HA PRO 19 -10.216 -2.708 -31.491 153 HB2 PRO 19 2HB PRO 19 -8.228 -4.552 -31.626 154 HB3 PRO 19 3HB PRO 19 -9.291 -4.185 -32.989 155 HG2 PRO 19 2HG PRO 19 -6.515 -3.211 -32.436 156 HG3 PRO 19 3HG PRO 19 -7.222 -3.766 -33.964 157 HD2 PRO 19 2HD PRO 19 -6.925 -1.142 -33.365 158 HD3 PRO 19 3HD PRO 19 -8.264 -1.748 -34.361 159 H TRP 20 H TRP 20 -9.597 -4.221 -29.636 160 HA TRP 20 HA TRP 20 -8.230 -2.622 -27.612 161 HB2 TRP 20 2HB TRP 20 -9.284 -4.111 -25.989 162 HB3 TRP 20 3HB TRP 20 -10.486 -3.485 -27.114 163 HD1 TRP 20 HD1 TRP 20 -8.807 -6.717 -26.020 164 HE1 TRP 20 HE1 TRP 20 -10.045 -8.705 -27.086 165 HE3 TRP 20 HE3 TRP 20 -11.868 -4.150 -29.210 166 HZ2 TRP 20 HZ2 TRP 20 -12.054 -9.129 -29.024 167 HZ3 TRP 20 HZ3 TRP 20 -13.418 -5.422 -30.636 168 HH2 TRP 20 HH2 TRP 20 -13.507 -7.860 -30.544 169 H TRP 21 H TRP 21 -6.276 -3.101 -26.843 170 HA TRP 21 HA TRP 21 -5.174 -5.775 -27.410 171 HB2 TRP 21 2HB TRP 21 -3.858 -3.070 -27.610 172 HB3 TRP 21 3HB TRP 21 -2.920 -4.554 -27.466 173 HD1 TRP 21 HD1 TRP 21 -4.644 -6.387 -29.428 174 HE1 TRP 21 HE1 TRP 21 -4.550 -5.952 -31.963 175 HE3 TRP 21 HE3 TRP 21 -3.020 -1.540 -29.359 176 HZ2 TRP 21 HZ2 TRP 21 -3.875 -3.834 -33.703 177 HZ3 TRP 21 HZ3 TRP 21 -2.675 -0.382 -31.502 178 HH2 TRP 21 HH2 TRP 21 -3.094 -1.507 -33.628 179 HA PRO 22 HA PRO 22 -4.295 -6.186 -23.129 180 HB2 PRO 22 2HB PRO 22 -2.033 -7.686 -23.201 181 HB3 PRO 22 3HB PRO 22 -3.630 -8.335 -23.595 182 HG2 PRO 22 2HG PRO 22 -1.457 -7.404 -25.432 183 HG3 PRO 22 3HG PRO 22 -2.491 -8.839 -25.559 184 HD2 PRO 22 2HD PRO 22 -2.951 -6.580 -26.981 185 HD3 PRO 22 3HD PRO 22 -4.261 -7.641 -26.423 186 H GLY 23 H GLY 23 -3.079 -5.305 -21.476 187 HA2 GLY 23 2HA GLY 23 -0.494 -4.120 -21.998 188 HA3 GLY 23 3HA GLY 23 -1.779 -2.949 -21.745 189 H PHE 24 H PHE 24 0.704 -3.967 -20.195 190 HA PHE 24 HA PHE 24 -0.471 -4.876 -17.713 191 HB2 PHE 24 2HB PHE 24 2.075 -5.036 -18.895 192 HB3 PHE 24 3HB PHE 24 2.279 -4.036 -17.461 193 HD1 PHE 24 HD1 PHE 24 3.101 -5.234 -15.695 194 HD2 PHE 24 HD2 PHE 24 0.254 -7.067 -18.274 195 HE1 PHE 24 HE1 PHE 24 3.136 -7.254 -14.291 196 HE2 PHE 24 HE2 PHE 24 0.283 -9.090 -16.874 197 HZ PHE 24 HZ PHE 24 1.725 -9.185 -14.879 198 H VAL 25 H VAL 25 -1.216 -3.591 -16.169 199 HA VAL 25 HA VAL 25 -0.921 -0.735 -16.362 200 HB VAL 25 HB VAL 25 -2.248 -2.395 -14.214 201 HG11 VAL 25 1HG1 VAL 25 -2.412 0.558 -14.809 202 HG12 VAL 25 2HG1 VAL 25 -3.403 -0.303 -13.630 203 HG13 VAL 25 3HG1 VAL 25 -1.658 -0.187 -13.400 204 HG21 VAL 25 3HG2 VAL 25 -4.341 -1.562 -15.399 205 HG22 VAL 25 1HG2 VAL 25 -3.279 -1.140 -16.743 206 HG23 VAL 25 2HG2 VAL 25 -3.412 -2.818 -16.217 207 H MET 26 H MET 26 0.767 0.337 -15.595 208 HA MET 26 HA MET 26 1.940 -0.504 -13.041 209 HB2 MET 26 2HB MET 26 3.555 0.280 -15.473 210 HB3 MET 26 3HB MET 26 4.199 -0.132 -13.890 211 HG2 MET 26 2HG MET 26 2.985 -2.384 -14.247 212 HG3 MET 26 3HG MET 26 2.959 -1.909 -15.943 213 HE1 MET 26 3HE MET 26 5.785 -3.142 -13.023 214 HE2 MET 26 1HE MET 26 4.264 -3.854 -13.561 215 HE3 MET 26 2HE MET 26 5.792 -4.450 -14.207 216 H ASP 27 H ASP 27 2.601 1.143 -11.720 217 HA ASP 27 HA ASP 27 1.742 3.815 -12.500 218 HB2 ASP 27 2HB ASP 27 1.669 2.361 -10.100 219 HB3 ASP 27 3HB ASP 27 2.839 3.650 -9.832 220 HA PRO 28 HA PRO 28 5.785 5.353 -13.281 221 HB2 PRO 28 2HB PRO 28 5.395 7.977 -12.706 222 HB3 PRO 28 3HB PRO 28 4.754 7.207 -14.162 223 HG2 PRO 28 2HG PRO 28 3.370 7.826 -11.580 224 HG3 PRO 28 3HG PRO 28 2.786 8.036 -13.241 225 HD2 PRO 28 2HD PRO 28 2.053 5.939 -11.693 226 HD3 PRO 28 3HD PRO 28 2.218 5.813 -13.456 227 H ASP 29 H ASP 29 4.243 6.308 -10.235 228 HA ASP 29 HA ASP 29 6.375 5.505 -8.617 229 HB2 ASP 29 2HB ASP 29 7.110 7.779 -9.903 230 HB3 ASP 29 3HB ASP 29 6.355 8.456 -8.463 231 H GLU 30 H GLU 30 3.631 5.211 -8.542 232 HA GLU 30 HA GLU 30 1.885 5.254 -7.084 233 HB2 GLU 30 2HB GLU 30 3.675 6.678 -5.124 234 HB3 GLU 30 3HB GLU 30 2.312 5.622 -4.782 235 HG2 GLU 30 2HG GLU 30 3.852 4.057 -4.426 236 HG3 GLU 30 3HG GLU 30 3.962 3.966 -6.183 237 H VAL 31 H VAL 31 0.720 6.714 -8.379 238 HA VAL 31 HA VAL 31 0.885 9.551 -7.664 239 HB VAL 31 HB VAL 31 -0.452 9.999 -9.628 240 HG11 VAL 31 1HG1 VAL 31 1.344 9.881 -10.939 241 HG12 VAL 31 2HG1 VAL 31 2.121 8.963 -9.648 242 HG13 VAL 31 3HG1 VAL 31 1.299 8.119 -10.961 243 HG21 VAL 31 3HG2 VAL 31 -0.777 7.795 -11.115 244 HG22 VAL 31 1HG2 VAL 31 -0.929 7.083 -9.508 245 HG23 VAL 31 2HG2 VAL 31 -2.007 8.391 -9.999 246 H ARG 32 H ARG 32 -0.476 7.182 -6.195 247 HA ARG 32 HA ARG 32 -3.237 8.106 -6.142 248 HB2 ARG 32 2HB ARG 32 -1.796 5.785 -4.874 249 HB3 ARG 32 3HB ARG 32 -3.440 6.215 -4.420 250 HG2 ARG 32 2HG ARG 32 -2.551 5.529 -7.213 251 HG3 ARG 32 3HG ARG 32 -3.334 4.413 -6.093 252 HD2 ARG 32 2HD ARG 32 -4.494 6.964 -7.207 253 HD3 ARG 32 3HD ARG 32 -4.967 5.319 -7.632 254 HE ARG 32 HE ARG 32 -5.263 5.680 -4.861 255 HH11 ARG 32 1HH1 ARG 32 -6.685 6.695 -7.872 256 HH12 ARG 32 2HH1 ARG 32 -8.263 6.934 -7.197 257 HH21 ARG 32 2HH2 ARG 32 -8.632 6.535 -4.972 258 HH22 ARG 32 1HH2 ARG 32 -7.336 5.991 -3.960 259 H ASP 33 H ASP 33 -0.325 8.245 -4.235 260 HA ASP 33 HA ASP 33 -1.778 9.574 -2.054 261 HB2 ASP 33 2HB ASP 33 -0.083 7.581 -1.749 262 HB3 ASP 33 3HB ASP 33 1.122 8.860 -1.872 263 H ILE 34 H ILE 34 0.777 10.006 -4.417 264 HA ILE 34 HA ILE 34 0.993 12.830 -3.601 265 HB ILE 34 HB ILE 34 3.043 11.185 -5.088 266 HG12 ILE 34 2HG1 ILE 34 4.193 11.984 -2.729 267 HG13 ILE 34 3HG1 ILE 34 2.538 11.650 -2.231 268 HG21 ILE 34 1HG2 ILE 34 3.185 13.479 -5.749 269 HG22 ILE 34 2HG2 ILE 34 3.081 14.020 -4.075 270 HG23 ILE 34 3HG2 ILE 34 4.510 13.150 -4.632 271 HD11 ILE 34 3HD1 ILE 34 4.628 9.806 -3.245 272 HD12 ILE 34 1HD1 ILE 34 3.481 9.604 -1.920 273 HD13 ILE 34 2HD1 ILE 34 2.939 9.435 -3.591 274 H THR 35 H THR 35 -0.208 14.052 -4.899 275 HA THR 35 HA THR 35 -0.434 13.341 -7.737 276 HB THR 35 HB THR 35 -2.312 14.962 -7.796 277 HG1 THR 35 HG1 THR 35 -2.105 16.370 -6.184 278 HG21 THR 35 3HG2 THR 35 -2.314 12.617 -5.946 279 HG22 THR 35 1HG2 THR 35 -3.116 12.819 -7.503 280 HG23 THR 35 2HG2 THR 35 -3.760 13.619 -6.069 281 H LEU 36 H LEU 36 1.177 14.234 -8.879 282 HA LEU 36 HA LEU 36 1.782 17.081 -8.415 283 HB2 LEU 36 2HB LEU 36 3.484 14.747 -8.840 284 HB3 LEU 36 3HB LEU 36 3.883 16.107 -9.887 285 HG LEU 36 HG LEU 36 4.232 17.527 -7.942 286 HD11 LEU 36 1HD1 LEU 36 2.924 15.301 -6.578 287 HD12 LEU 36 2HD1 LEU 36 3.052 16.998 -6.119 288 HD13 LEU 36 3HD1 LEU 36 4.373 15.886 -5.760 289 HD21 LEU 36 3HD2 LEU 36 5.911 15.622 -8.851 290 HD22 LEU 36 1HD2 LEU 36 5.805 15.166 -7.150 291 HD23 LEU 36 2HD2 LEU 36 6.333 16.789 -7.597 292 HA PRO 37 HA PRO 37 0.457 18.030 -12.492 293 HB2 PRO 37 2HB PRO 37 2.134 20.070 -13.120 294 HB3 PRO 37 3HB PRO 37 0.810 20.237 -11.961 295 HG2 PRO 37 2HG PRO 37 3.726 19.786 -11.454 296 HG3 PRO 37 3HG PRO 37 2.602 20.878 -10.625 297 HD2 PRO 37 2HD PRO 37 3.326 18.479 -9.599 298 HD3 PRO 37 3HD PRO 37 1.722 19.190 -9.325 299 H GLU 38 H GLU 38 0.807 17.144 -14.431 300 HA GLU 38 HA GLU 38 3.293 17.130 -15.768 301 HB2 GLU 38 2HB GLU 38 3.829 15.411 -14.084 302 HB3 GLU 38 3HB GLU 38 2.441 14.469 -14.611 303 HG2 GLU 38 2HG GLU 38 4.391 13.520 -15.583 304 HG3 GLU 38 3HG GLU 38 3.476 14.314 -16.864 305 H GLY 39 H GLY 39 0.738 14.651 -15.569 306 HA2 GLY 39 2HA GLY 39 -1.147 15.092 -17.248 307 HA3 GLY 39 3HA GLY 39 0.166 15.170 -18.414 308 H SER 40 H SER 40 1.212 12.960 -16.297 309 HA SER 40 HA SER 40 -0.265 10.718 -17.483 310 HB2 SER 40 2HB SER 40 2.023 9.541 -17.658 311 HB3 SER 40 3HB SER 40 1.631 10.750 -18.880 312 HG SER 40 HG SER 40 3.172 11.995 -18.148 313 H ASP 41 H ASP 41 -1.189 9.824 -15.752 314 HA ASP 41 HA ASP 41 0.396 9.523 -13.295 315 HB2 ASP 41 2HB ASP 41 -2.567 9.602 -13.816 316 HB3 ASP 41 3HB ASP 41 -1.920 8.950 -12.313 317 H VAL 42 H VAL 42 -1.311 7.780 -15.781 318 HA VAL 42 HA VAL 42 -0.619 5.239 -14.457 319 HB VAL 42 HB VAL 42 -2.755 5.764 -16.529 320 HG11 VAL 42 1HG1 VAL 42 -1.816 3.236 -15.200 321 HG12 VAL 42 2HG1 VAL 42 -3.409 3.383 -15.945 322 HG13 VAL 42 3HG1 VAL 42 -1.955 3.581 -16.924 323 HG21 VAL 42 3HG2 VAL 42 -3.073 6.531 -14.084 324 HG22 VAL 42 1HG2 VAL 42 -4.346 5.575 -14.843 325 HG23 VAL 42 2HG2 VAL 42 -3.216 4.810 -13.726 326 H TRP 43 H TRP 43 0.598 3.754 -15.519 327 HA TRP 43 HA TRP 43 1.542 4.495 -18.212 328 HB2 TRP 43 2HB TRP 43 3.084 4.350 -15.964 329 HB3 TRP 43 3HB TRP 43 3.270 2.723 -16.612 330 HD1 TRP 43 HD1 TRP 43 4.368 2.529 -19.102 331 HE1 TRP 43 HE1 TRP 43 6.019 4.084 -20.319 332 HE3 TRP 43 HE3 TRP 43 3.768 6.735 -16.259 333 HZ2 TRP 43 HZ2 TRP 43 6.945 6.742 -20.102 334 HZ3 TRP 43 HZ3 TRP 43 5.074 8.740 -16.829 335 HH2 TRP 43 HH2 TRP 43 6.629 8.742 -18.711 336 H VAL 44 H VAL 44 0.447 3.218 -19.579 337 HA VAL 44 HA VAL 44 0.008 0.407 -18.892 338 HB VAL 44 HB VAL 44 -1.055 1.991 -21.235 339 HG11 VAL 44 1HG1 VAL 44 -1.053 -0.830 -20.604 340 HG12 VAL 44 2HG1 VAL 44 -2.695 -0.198 -20.744 341 HG13 VAL 44 3HG1 VAL 44 -1.559 -0.007 -22.079 342 HG21 VAL 44 3HG2 VAL 44 -3.231 1.723 -19.907 343 HG22 VAL 44 1HG2 VAL 44 -2.190 1.368 -18.528 344 HG23 VAL 44 2HG2 VAL 44 -2.071 2.926 -19.345 345 H CYS 45 H CYS 45 1.459 -1.033 -19.531 346 HA CYS 45 HA CYS 45 3.170 -0.431 -21.828 347 HB2 CYS 45 2HB CYS 45 4.348 -1.050 -19.803 348 HB3 CYS 45 3HB CYS 45 3.399 -2.524 -19.658 349 HG CYS 45 HG CYS 45 4.569 -3.028 -22.485 350 H CYS 46 H CYS 46 2.012 -0.961 -23.621 351 HA CYS 46 HA CYS 46 0.407 -3.318 -23.799 352 HB2 CYS 46 2HB CYS 46 1.417 -1.433 -25.939 353 HB3 CYS 46 3HB CYS 46 0.252 -2.722 -26.216 354 HG CYS 46 HG CYS 46 -0.183 0.166 -24.463 355 H LEU 47 H LEU 47 0.797 -4.811 -25.782 356 HA LEU 47 HA LEU 47 3.179 -6.257 -25.280 357 HB2 LEU 47 2HB LEU 47 2.278 -7.881 -26.569 358 HB3 LEU 47 3HB LEU 47 0.814 -6.945 -26.273 359 HG LEU 47 HG LEU 47 2.518 -6.832 -28.762 360 HD11 LEU 47 1HD1 LEU 47 -0.308 -7.800 -28.588 361 HD12 LEU 47 2HD1 LEU 47 1.042 -8.889 -28.272 362 HD13 LEU 47 3HD1 LEU 47 0.898 -8.094 -29.840 363 HD21 LEU 47 3HD2 LEU 47 1.601 -4.814 -29.018 364 HD22 LEU 47 1HD2 LEU 47 0.471 -5.065 -27.687 365 HD23 LEU 47 2HD2 LEU 47 0.082 -5.667 -29.299 366 HA PRO 48 HA PRO 48 6.087 -4.555 -28.092 367 HB2 PRO 48 2HB PRO 48 7.388 -6.770 -28.970 368 HB3 PRO 48 3HB PRO 48 7.583 -6.126 -27.336 369 HG2 PRO 48 2HG PRO 48 5.879 -8.397 -28.286 370 HG3 PRO 48 3HG PRO 48 6.899 -8.292 -26.839 371 HD2 PRO 48 2HD PRO 48 4.214 -7.948 -26.758 372 HD3 PRO 48 3HD PRO 48 5.320 -7.098 -25.659 373 H ARG 49 H ARG 49 5.206 -3.657 -29.879 374 HA ARG 49 HA ARG 49 5.123 -5.220 -32.295 375 HB2 ARG 49 2HB ARG 49 2.826 -4.870 -32.857 376 HB3 ARG 49 3HB ARG 49 2.870 -5.590 -31.253 377 HG2 ARG 49 2HG ARG 49 1.377 -3.963 -30.811 378 HG3 ARG 49 3HG ARG 49 2.838 -3.004 -30.567 379 HD2 ARG 49 2HD ARG 49 1.655 -1.637 -31.982 380 HD3 ARG 49 3HD ARG 49 2.611 -2.565 -33.138 381 HE ARG 49 HE ARG 49 0.092 -3.790 -32.621 382 HH11 ARG 49 1HH1 ARG 49 1.643 -1.232 -34.400 383 HH12 ARG 49 2HH1 ARG 49 0.447 -1.200 -35.653 384 HH21 ARG 49 2HH2 ARG 49 -1.336 -2.638 -35.574 385 HH22 ARG 49 1HH2 ARG 49 -1.490 -3.759 -34.264 386 H ASP 50 H ASP 50 4.635 -2.173 -30.632 387 HA ASP 50 HA ASP 50 5.268 -0.740 -33.125 388 HB2 ASP 50 2HB ASP 50 3.199 -0.320 -31.300 389 HB3 ASP 50 3HB ASP 50 4.364 0.953 -30.947 390 H SER 51 H SER 51 6.962 -2.021 -30.849 391 HA SER 51 HA SER 51 9.047 -1.632 -30.013 392 HB2 SER 51 2HB SER 51 9.193 -0.272 -32.252 393 HB3 SER 51 3HB SER 51 9.110 1.128 -31.183 394 HG SER 51 HG SER 51 11.210 -0.415 -31.730 395 H LEU 52 H LEU 52 7.443 -1.484 -28.107 396 HA LEU 52 HA LEU 52 7.025 -0.627 -26.042 397 HB2 LEU 52 2HB LEU 52 9.482 0.668 -26.896 398 HB3 LEU 52 3HB LEU 52 8.548 1.666 -25.784 399 HG LEU 52 HG LEU 52 8.591 -0.129 -24.127 400 HD11 LEU 52 1HD1 LEU 52 10.619 -1.804 -25.154 401 HD12 LEU 52 2HD1 LEU 52 9.349 -1.707 -26.373 402 HD13 LEU 52 3HD1 LEU 52 8.959 -2.226 -24.734 403 HD21 LEU 52 3HD2 LEU 52 10.341 1.477 -23.959 404 HD22 LEU 52 1HD2 LEU 52 11.256 0.706 -25.255 405 HD23 LEU 52 2HD2 LEU 52 11.064 -0.112 -23.704 406 H THR 53 H THR 53 4.926 -0.073 -26.952 407 HA THR 53 HA THR 53 4.526 2.746 -27.604 408 HB THR 53 HB THR 53 2.157 1.001 -27.494 409 HG1 THR 53 HG1 THR 53 2.926 -0.528 -28.725 410 HG21 THR 53 3HG2 THR 53 3.337 3.051 -29.330 411 HG22 THR 53 1HG2 THR 53 1.779 3.057 -28.503 412 HG23 THR 53 2HG2 THR 53 2.037 2.002 -29.893 413 H LEU 54 H LEU 54 5.278 2.294 -24.962 414 HA LEU 54 HA LEU 54 3.276 1.942 -23.089 415 HB2 LEU 54 2HB LEU 54 5.516 3.940 -22.860 416 HB3 LEU 54 3HB LEU 54 4.659 3.142 -21.543 417 HG LEU 54 HG LEU 54 5.983 1.284 -23.372 418 HD11 LEU 54 1HD1 LEU 54 7.685 3.135 -21.710 419 HD12 LEU 54 2HD1 LEU 54 7.570 3.170 -23.469 420 HD13 LEU 54 3HD1 LEU 54 8.238 1.754 -22.658 421 HD21 LEU 54 3HD2 LEU 54 6.269 0.068 -21.474 422 HD22 LEU 54 1HD2 LEU 54 4.941 1.094 -20.932 423 HD23 LEU 54 2HD2 LEU 54 6.600 1.486 -20.479 424 H SER 55 H SER 55 1.462 2.998 -22.666 425 HA SER 55 HA SER 55 1.131 5.715 -23.722 426 HB2 SER 55 2HB SER 55 -0.571 3.419 -23.613 427 HB3 SER 55 3HB SER 55 -1.319 4.715 -22.680 428 HG SER 55 HG SER 55 -1.959 5.029 -24.757 429 H ALA 56 H ALA 56 1.249 7.377 -22.380 430 HA ALA 56 HA ALA 56 0.739 6.914 -19.514 431 HB1 ALA 56 1HB ALA 56 2.550 8.119 -18.963 432 HB2 ALA 56 2HB ALA 56 3.065 7.781 -20.616 433 HB3 ALA 56 3HB ALA 56 2.271 9.309 -20.234 434 H ALA 57 H ALA 57 -0.962 7.913 -18.669 435 HA ALA 57 HA ALA 57 -1.777 10.528 -19.633 436 HB1 ALA 57 1HB ALA 57 -3.160 8.103 -20.384 437 HB2 ALA 57 2HB ALA 57 -4.215 9.207 -19.502 438 HB3 ALA 57 3HB ALA 57 -3.387 9.754 -20.959 439 H ASN 58 H ASN 58 -2.890 11.726 -18.120 440 HA ASN 58 HA ASN 58 -3.237 10.445 -15.489 441 HB2 ASN 58 2HB ASN 58 -1.510 12.011 -15.204 442 HB3 ASN 58 3HB ASN 58 -2.287 13.195 -16.252 443 HD21 ASN 58 2HD2 ASN 58 -3.180 14.827 -13.313 444 HD22 ASN 58 1HD2 ASN 58 -2.188 14.817 -14.728 445 H SER 59 H SER 59 -5.349 10.021 -15.283 446 HA SER 59 HA SER 59 -7.610 10.284 -15.222 447 HB2 SER 59 2HB SER 59 -6.622 13.054 -14.579 448 HB3 SER 59 3HB SER 59 -8.347 12.697 -14.647 449 HG SER 59 HG SER 59 -6.580 12.158 -12.691 450 H GLU 60 H GLU 60 -6.307 10.451 -17.811 451 HA GLU 60 HA GLU 60 -8.246 12.153 -19.235 452 HB2 GLU 60 2HB GLU 60 -5.366 11.565 -19.751 453 HB3 GLU 60 3HB GLU 60 -6.423 11.833 -21.130 454 HG2 GLU 60 2HG GLU 60 -6.357 13.779 -18.863 455 HG3 GLU 60 3HG GLU 60 -5.131 13.822 -20.128 456 H ASP 61 H ASP 61 -6.816 9.004 -18.918 457 HA ASP 61 HA ASP 61 -8.168 7.978 -21.280 458 HB2 ASP 61 2HB ASP 61 -5.867 7.222 -20.670 459 HB3 ASP 61 3HB ASP 61 -6.538 6.477 -19.221 460 H GLU 62 H GLU 62 -10.289 7.650 -21.083 461 HA GLU 62 HA GLU 62 -11.234 5.920 -18.942 462 HB2 GLU 62 2HB GLU 62 -11.738 8.767 -19.020 463 HB3 GLU 62 3HB GLU 62 -13.243 7.865 -19.137 464 HG2 GLU 62 2HG GLU 62 -12.986 6.902 -17.056 465 HG3 GLU 62 3HG GLU 62 -11.242 7.159 -17.039 466 H GLY 63 H GLY 63 -10.882 6.004 -21.963 467 HA2 GLY 63 2HA GLY 63 -13.457 6.022 -23.148 468 HA3 GLY 63 3HA GLY 63 -12.010 5.300 -23.837 469 H GLN 64 H GLN 64 -11.675 3.118 -23.664 470 HA GLN 64 HA GLN 64 -13.737 1.575 -22.240 471 HB2 GLN 64 2HB GLN 64 -12.852 1.393 -25.077 472 HB3 GLN 64 3HB GLN 64 -13.234 -0.107 -24.243 473 HG2 GLN 64 2HG GLN 64 -15.128 2.218 -24.301 474 HG3 GLN 64 3HG GLN 64 -15.093 0.993 -25.569 475 HE21 GLN 64 2HE2 GLN 64 -17.678 -0.231 -23.415 476 HE22 GLN 64 1HE2 GLN 64 -17.390 0.936 -24.656 477 H ILE 65 H ILE 65 -12.938 0.157 -20.842 478 HA ILE 65 HA ILE 65 -10.351 -1.098 -21.357 479 HB ILE 65 HB ILE 65 -9.743 0.816 -20.008 480 HG12 ILE 65 2HG1 ILE 65 -9.685 -1.269 -17.909 481 HG13 ILE 65 3HG1 ILE 65 -9.046 -1.747 -19.478 482 HG21 ILE 65 1HG2 ILE 65 -10.687 1.270 -17.848 483 HG22 ILE 65 2HG2 ILE 65 -11.995 1.173 -19.025 484 HG23 ILE 65 3HG2 ILE 65 -11.689 -0.178 -17.934 485 HD11 ILE 65 3HD1 ILE 65 -7.410 -0.813 -17.778 486 HD12 ILE 65 1HD1 ILE 65 -7.359 -0.132 -19.404 487 HD13 ILE 65 2HD1 ILE 65 -8.147 0.756 -18.100 488 H ARG 66 H ARG 66 -10.122 -3.122 -20.465 489 HA ARG 66 HA ARG 66 -12.364 -4.127 -18.847 490 HB2 ARG 66 2HB ARG 66 -11.466 -5.014 -21.485 491 HB3 ARG 66 3HB ARG 66 -11.546 -6.321 -20.311 492 HG2 ARG 66 2HG ARG 66 -13.828 -4.425 -20.770 493 HG3 ARG 66 3HG ARG 66 -13.616 -5.909 -21.701 494 HD2 ARG 66 2HD ARG 66 -13.569 -7.158 -19.532 495 HD3 ARG 66 3HD ARG 66 -14.004 -5.653 -18.724 496 HE ARG 66 HE ARG 66 -15.802 -6.356 -20.844 497 HH11 ARG 66 1HH1 ARG 66 -15.025 -6.858 -17.488 498 HH12 ARG 66 2HH1 ARG 66 -16.639 -7.307 -17.046 499 HH21 ARG 66 2HH2 ARG 66 -18.291 -7.357 -18.633 500 HH22 ARG 66 1HH2 ARG 66 -17.931 -6.945 -20.275 501 H TYR 67 H TYR 67 -11.872 -5.788 -17.384 502 HA TYR 67 HA TYR 67 -9.099 -5.801 -16.527 503 HB2 TYR 67 2HB TYR 67 -11.581 -7.000 -15.281 504 HB3 TYR 67 3HB TYR 67 -9.981 -7.021 -14.547 505 HD1 TYR 67 HD1 TYR 67 -8.851 -4.608 -14.382 506 HD2 TYR 67 HD2 TYR 67 -13.036 -5.335 -14.630 507 HE1 TYR 67 HE1 TYR 67 -9.287 -2.413 -13.361 508 HE2 TYR 67 HE2 TYR 67 -13.483 -3.142 -13.611 509 HH TYR 67 HH TYR 67 -12.569 -1.162 -13.026 510 H PHE 68 H PHE 68 -7.699 -7.337 -17.040 511 HA PHE 68 HA PHE 68 -8.736 -9.907 -18.031 512 HB2 PHE 68 2HB PHE 68 -7.407 -8.531 -19.642 513 HB3 PHE 68 3HB PHE 68 -6.024 -8.680 -18.563 514 HD1 PHE 68 HD1 PHE 68 -4.638 -10.564 -18.632 515 HD2 PHE 68 HD2 PHE 68 -8.385 -10.620 -20.652 516 HE1 PHE 68 HE1 PHE 68 -4.016 -12.681 -19.721 517 HE2 PHE 68 HE2 PHE 68 -7.769 -12.737 -21.743 518 HZ PHE 68 HZ PHE 68 -5.583 -13.771 -21.278 519 H LEU 69 H LEU 69 -7.930 -11.823 -17.242 520 HA LEU 69 HA LEU 69 -5.667 -12.153 -15.646 521 HB2 LEU 69 2HB LEU 69 -7.936 -11.046 -14.264 522 HB3 LEU 69 3HB LEU 69 -7.532 -12.633 -13.612 523 HG LEU 69 HG LEU 69 -5.267 -10.774 -13.952 524 HD11 LEU 69 1HD1 LEU 69 -7.137 -9.311 -13.162 525 HD12 LEU 69 2HD1 LEU 69 -5.771 -9.429 -12.053 526 HD13 LEU 69 3HD1 LEU 69 -7.250 -10.334 -11.730 527 HD21 LEU 69 3HD2 LEU 69 -6.212 -12.775 -11.924 528 HD22 LEU 69 1HD2 LEU 69 -4.869 -11.680 -11.596 529 HD23 LEU 69 2HD2 LEU 69 -4.767 -12.822 -12.936 530 HA PRO 70 HA PRO 70 -8.475 -16.048 -15.156 531 HB2 PRO 70 2HB PRO 70 -11.037 -15.866 -16.033 532 HB3 PRO 70 3HB PRO 70 -10.556 -15.457 -14.383 533 HG2 PRO 70 2HG PRO 70 -11.053 -13.647 -16.715 534 HG3 PRO 70 3HG PRO 70 -11.550 -13.454 -15.024 535 HD2 PRO 70 2HD PRO 70 -9.412 -12.164 -16.070 536 HD3 PRO 70 3HD PRO 70 -9.479 -12.679 -14.372 537 H ASP 71 H ASP 71 -8.365 -14.013 -17.887 538 HA ASP 71 HA ASP 71 -8.259 -14.372 -20.136 539 HB2 ASP 71 2HB ASP 71 -7.371 -17.185 -19.670 540 HB3 ASP 71 3HB ASP 71 -6.730 -15.976 -20.779 541 H ARG 72 H ARG 72 -10.779 -14.959 -18.889 542 HA ARG 72 HA ARG 72 -11.833 -16.828 -20.889 543 HB2 ARG 72 2HB ARG 72 -12.292 -16.895 -17.921 544 HB3 ARG 72 3HB ARG 72 -13.499 -17.530 -19.031 545 HG2 ARG 72 2HG ARG 72 -11.835 -19.079 -19.944 546 HG3 ARG 72 3HG ARG 72 -10.641 -18.451 -18.806 547 HD2 ARG 72 2HD ARG 72 -11.830 -19.296 -16.946 548 HD3 ARG 72 3HD ARG 72 -13.264 -19.621 -17.919 549 HE ARG 72 HE ARG 72 -10.948 -21.297 -17.631 550 HH11 ARG 72 1HH1 ARG 72 -13.645 -20.470 -19.670 551 HH12 ARG 72 2HH1 ARG 72 -13.678 -22.005 -20.472 552 HH21 ARG 72 2HH2 ARG 72 -12.162 -23.627 -19.907 553 HH22 ARG 72 1HH2 ARG 72 -10.980 -23.322 -18.679 554 H ASP 73 H ASP 73 -11.743 -13.887 -20.643 555 HA ASP 73 HA ASP 73 -14.551 -13.199 -20.212 556 HB2 ASP 73 2HB ASP 73 -12.670 -11.790 -19.275 557 HB3 ASP 73 3HB ASP 73 -12.288 -11.332 -20.932 558 H GLU 74 H GLU 74 -13.822 -14.850 -22.462 559 HA GLU 74 HA GLU 74 -14.259 -15.068 -24.684 560 HB2 GLU 74 2HB GLU 74 -15.849 -12.534 -24.242 561 HB3 GLU 74 3HB GLU 74 -15.971 -13.580 -25.650 562 HG2 GLU 74 2HG GLU 74 -17.053 -15.247 -24.489 563 HG3 GLU 74 3HG GLU 74 -16.428 -14.712 -22.930 564 H GLY 75 H GLY 75 -11.828 -13.860 -24.040 565 HA2 GLY 75 2HA GLY 75 -11.427 -12.235 -26.451 566 HA3 GLY 75 3HA GLY 75 -10.871 -11.596 -24.911 567 H MET 76 H MET 76 -9.981 -14.074 -23.808 568 HA MET 76 HA MET 76 -7.342 -14.128 -24.588 569 HB2 MET 76 2HB MET 76 -8.199 -15.141 -22.510 570 HB3 MET 76 3HB MET 76 -8.931 -16.435 -23.449 571 HG2 MET 76 2HG MET 76 -6.411 -16.653 -24.310 572 HG3 MET 76 3HG MET 76 -6.112 -15.987 -22.707 573 HE1 MET 76 3HE MET 76 -5.099 -19.520 -22.692 574 HE2 MET 76 1HE MET 76 -6.219 -19.897 -24.001 575 HE3 MET 76 2HE MET 76 -5.222 -18.444 -24.085 576 H MET 77 H MET 77 -10.070 -15.802 -25.985 577 HA MET 77 HA MET 77 -8.709 -17.738 -27.484 578 HB2 MET 77 2HB MET 77 -10.729 -17.766 -28.915 579 HB3 MET 77 3HB MET 77 -11.112 -17.833 -27.200 580 HG2 MET 77 2HG MET 77 -11.575 -15.404 -27.256 581 HG3 MET 77 3HG MET 77 -11.308 -15.429 -28.997 582 HE1 MET 77 3HE MET 77 -14.139 -18.178 -26.929 583 HE2 MET 77 1HE MET 77 -12.876 -17.196 -26.186 584 HE3 MET 77 2HE MET 77 -14.517 -16.564 -26.325 585 H GLU 78 H GLU 78 -9.529 -14.377 -28.221 586 HA GLU 78 HA GLU 78 -8.247 -14.564 -30.827 587 HB2 GLU 78 2HB GLU 78 -9.692 -12.315 -29.424 588 HB3 GLU 78 3HB GLU 78 -8.932 -12.144 -31.001 589 HG2 GLU 78 2HG GLU 78 -10.677 -13.042 -32.023 590 HG3 GLU 78 3HG GLU 78 -10.667 -14.440 -30.948 591 H GLU 79 H GLU 79 -7.493 -13.634 -27.621 592 HA GLU 79 HA GLU 79 -5.166 -12.077 -28.491 593 HB2 GLU 79 2HB GLU 79 -6.957 -11.758 -26.370 594 HB3 GLU 79 3HB GLU 79 -5.473 -12.327 -25.620 595 HG2 GLU 79 2HG GLU 79 -4.868 -10.187 -25.621 596 HG3 GLU 79 3HG GLU 79 -4.540 -10.426 -27.337 597 H GLY 80 H GLY 80 -5.560 -15.102 -28.538 598 HA2 GLY 80 2HA GLY 80 -2.894 -15.736 -27.642 599 HA3 GLY 80 3HA GLY 80 -4.153 -16.509 -26.691 600 H LYS 81 H LYS 81 -6.001 -16.927 -28.819 601 HA LYS 81 HA LYS 81 -4.634 -19.143 -30.167 602 HB2 LYS 81 2HB LYS 81 -7.145 -18.901 -28.878 603 HB3 LYS 81 3HB LYS 81 -7.470 -19.155 -30.588 604 HG2 LYS 81 2HG LYS 81 -6.018 -21.152 -30.529 605 HG3 LYS 81 3HG LYS 81 -5.814 -20.916 -28.792 606 HD2 LYS 81 2HD LYS 81 -8.528 -20.844 -29.044 607 HD3 LYS 81 3HD LYS 81 -8.085 -22.004 -30.299 608 HE2 LYS 81 2HE LYS 81 -6.748 -22.331 -27.687 609 HE3 LYS 81 3HE LYS 81 -8.479 -22.667 -27.720 610 HZ1 LYS 81 3HZ LYS 81 -7.478 -24.692 -28.217 611 HZ2 LYS 81 1HZ LYS 81 -6.320 -23.997 -29.236 612 HZ3 LYS 81 2HZ LYS 81 -7.933 -24.100 -29.735 613 H LEU 82 H LEU 82 -4.736 -16.191 -30.944 614 HA LEU 82 HA LEU 82 -5.587 -16.647 -33.724 615 HB2 LEU 82 2HB LEU 82 -6.541 -14.688 -31.859 616 HB3 LEU 82 3HB LEU 82 -5.739 -13.887 -33.208 617 HG LEU 82 HG LEU 82 -8.063 -15.803 -33.394 618 HD11 LEU 82 1HD1 LEU 82 -9.435 -14.041 -33.428 619 HD12 LEU 82 2HD1 LEU 82 -8.340 -13.089 -34.430 620 HD13 LEU 82 3HD1 LEU 82 -8.098 -13.161 -32.685 621 HD21 LEU 82 3HD2 LEU 82 -6.511 -14.340 -35.523 622 HD22 LEU 82 1HD2 LEU 82 -8.070 -15.121 -35.788 623 HD23 LEU 82 2HD2 LEU 82 -6.669 -16.086 -35.322 624 H ASP 83 H ASP 83 -3.715 -14.386 -31.697 625 HA ASP 83 HA ASP 83 -1.659 -14.358 -33.809 626 HB2 ASP 83 2HB ASP 83 -1.913 -12.153 -31.796 627 HB3 ASP 83 3HB ASP 83 -1.232 -12.106 -33.419 628 H ALA 84 H ALA 84 0.253 -15.178 -33.283 629 HA ALA 84 HA ALA 84 0.808 -16.372 -30.827 630 HB1 ALA 84 1HB ALA 84 3.019 -16.740 -31.642 631 HB2 ALA 84 2HB ALA 84 1.915 -16.883 -33.010 632 HB3 ALA 84 3HB ALA 84 2.874 -15.417 -32.799 633 H SER 85 H SER 85 1.244 -13.100 -31.892 634 HA SER 85 HA SER 85 3.178 -12.305 -29.979 635 HB2 SER 85 2HB SER 85 1.098 -10.516 -31.245 636 HB3 SER 85 3HB SER 85 2.692 -10.060 -30.644 637 HG SER 85 HG SER 85 1.995 -10.972 -33.077 638 H CYS 86 H CYS 86 -0.353 -12.313 -29.995 639 HA CYS 86 HA CYS 86 -0.629 -10.963 -27.500 640 HB2 CYS 86 2HB CYS 86 -2.601 -12.745 -28.947 641 HB3 CYS 86 3HB CYS 86 -2.983 -11.645 -27.628 642 HG CYS 86 HG CYS 86 -3.843 -10.680 -30.194 643 H ALA 87 H ALA 87 -0.580 -14.354 -28.485 644 HA ALA 87 HA ALA 87 -1.259 -15.450 -25.972 645 HB1 ALA 87 1HB ALA 87 -0.560 -16.423 -28.552 646 HB2 ALA 87 2HB ALA 87 0.421 -17.264 -27.350 647 HB3 ALA 87 3HB ALA 87 -1.338 -17.280 -27.221 648 H VAL 88 H VAL 88 1.852 -14.689 -27.482 649 HA VAL 88 HA VAL 88 3.437 -15.759 -25.372 650 HB VAL 88 HB VAL 88 4.133 -13.761 -27.527 651 HG11 VAL 88 1HG1 VAL 88 6.462 -15.010 -26.706 652 HG12 VAL 88 2HG1 VAL 88 5.975 -13.355 -26.336 653 HG13 VAL 88 3HG1 VAL 88 5.617 -14.656 -25.200 654 HG21 VAL 88 3HG2 VAL 88 5.240 -16.492 -27.543 655 HG22 VAL 88 1HG2 VAL 88 3.509 -16.363 -27.857 656 HG23 VAL 88 2HG2 VAL 88 4.658 -15.494 -28.875 657 H ALA 89 H ALA 89 2.238 -12.528 -26.158 658 HA ALA 89 HA ALA 89 3.645 -11.111 -24.182 659 HB1 ALA 89 1HB ALA 89 1.425 -9.620 -24.443 660 HB2 ALA 89 2HB ALA 89 2.743 -9.619 -25.616 661 HB3 ALA 89 3HB ALA 89 1.306 -10.600 -25.904 662 H ILE 90 H ILE 90 0.430 -12.615 -24.134 663 HA ILE 90 HA ILE 90 -0.205 -11.800 -21.490 664 HB ILE 90 HB ILE 90 -1.319 -14.051 -23.164 665 HG12 ILE 90 2HG1 ILE 90 -2.515 -11.355 -22.504 666 HG13 ILE 90 3HG1 ILE 90 -1.624 -11.689 -23.985 667 HG21 ILE 90 1HG2 ILE 90 -3.283 -13.670 -21.473 668 HG22 ILE 90 2HG2 ILE 90 -1.938 -14.732 -21.061 669 HG23 ILE 90 3HG2 ILE 90 -1.990 -13.088 -20.425 670 HD11 ILE 90 3HD1 ILE 90 -4.358 -12.405 -23.221 671 HD12 ILE 90 1HD1 ILE 90 -3.655 -12.120 -24.813 672 HD13 ILE 90 2HD1 ILE 90 -3.447 -13.684 -24.023 673 H GLU 91 H GLU 91 1.000 -14.861 -22.842 674 HA GLU 91 HA GLU 91 1.091 -16.328 -20.476 675 HB2 GLU 91 2HB GLU 91 2.620 -16.464 -23.050 676 HB3 GLU 91 3HB GLU 91 3.071 -17.508 -21.709 677 HG2 GLU 91 2HG GLU 91 0.843 -18.464 -21.671 678 HG3 GLU 91 3HG GLU 91 0.340 -17.381 -22.967 679 H GLU 92 H GLU 92 3.391 -14.034 -21.830 680 HA GLU 92 HA GLU 92 5.448 -14.566 -19.922 681 HB2 GLU 92 2HB GLU 92 5.576 -13.427 -22.279 682 HB3 GLU 92 3HB GLU 92 5.220 -11.959 -21.379 683 HG2 GLU 92 2HG GLU 92 7.340 -11.773 -20.796 684 HG3 GLU 92 3HG GLU 92 7.292 -13.359 -20.029 685 H ALA 93 H ALA 93 2.955 -12.067 -20.249 686 HA ALA 93 HA ALA 93 3.660 -10.458 -18.096 687 HB1 ALA 93 1HB ALA 93 0.852 -10.490 -18.184 688 HB2 ALA 93 2HB ALA 93 1.946 -9.332 -18.940 689 HB3 ALA 93 3HB ALA 93 1.407 -10.751 -19.837 690 H ILE 94 H ILE 94 1.511 -13.287 -18.166 691 HA ILE 94 HA ILE 94 0.974 -13.188 -15.356 692 HB ILE 94 HB ILE 94 -0.130 -15.333 -15.655 693 HG12 ILE 94 2HG1 ILE 94 1.042 -15.254 -18.443 694 HG13 ILE 94 3HG1 ILE 94 1.461 -16.393 -17.169 695 HG21 ILE 94 1HG2 ILE 94 -1.910 -14.551 -16.881 696 HG22 ILE 94 2HG2 ILE 94 -1.053 -13.050 -16.536 697 HG23 ILE 94 3HG2 ILE 94 -0.881 -13.821 -18.113 698 HD11 ILE 94 3HD1 ILE 94 -1.074 -16.202 -18.749 699 HD12 ILE 94 1HD1 ILE 94 0.030 -17.567 -18.585 700 HD13 ILE 94 2HD1 ILE 94 -0.988 -17.088 -17.227 701 H GLN 95 H GLN 95 3.279 -14.845 -17.410 702 HA GLN 95 HA GLN 95 4.183 -16.750 -15.543 703 HB2 GLN 95 2HB GLN 95 4.711 -17.005 -17.880 704 HB3 GLN 95 3HB GLN 95 5.568 -15.469 -17.902 705 HG2 GLN 95 2HG GLN 95 6.561 -17.440 -15.961 706 HG3 GLN 95 3HG GLN 95 6.757 -17.874 -17.658 707 HE21 GLN 95 2HE2 GLN 95 9.530 -15.686 -16.123 708 HE22 GLN 95 1HE2 GLN 95 8.573 -16.916 -15.380 709 H LEU 96 H LEU 96 4.936 -13.378 -16.027 710 HA LEU 96 HA LEU 96 7.182 -13.470 -14.183 711 HB2 LEU 96 2HB LEU 96 5.907 -11.232 -15.741 712 HB3 LEU 96 3HB LEU 96 7.247 -10.996 -14.620 713 HG LEU 96 HG LEU 96 7.409 -12.806 -17.023 714 HD11 LEU 96 1HD1 LEU 96 8.046 -9.880 -16.755 715 HD12 LEU 96 2HD1 LEU 96 7.000 -10.667 -17.936 716 HD13 LEU 96 3HD1 LEU 96 8.746 -10.906 -18.008 717 HD21 LEU 96 3HD2 LEU 96 9.246 -13.435 -15.905 718 HD22 LEU 96 1HD2 LEU 96 9.197 -12.032 -14.838 719 HD23 LEU 96 2HD2 LEU 96 9.911 -11.892 -16.445 720 H TYR 97 H TYR 97 3.895 -12.182 -14.333 721 HA TYR 97 HA TYR 97 3.898 -10.766 -11.922 722 HB2 TYR 97 2HB TYR 97 2.121 -10.806 -13.779 723 HB3 TYR 97 3HB TYR 97 1.488 -12.237 -12.972 724 HD1 TYR 97 HD1 TYR 97 2.825 -9.008 -11.645 725 HD2 TYR 97 HD2 TYR 97 -0.486 -11.667 -11.913 726 HE1 TYR 97 HE1 TYR 97 1.553 -7.570 -10.107 727 HE2 TYR 97 HE2 TYR 97 -1.768 -10.236 -10.377 728 HH TYR 97 HH TYR 97 -0.291 -7.514 -8.739 729 H GLU 98 H GLU 98 3.138 -14.157 -12.603 730 HA GLU 98 HA GLU 98 2.473 -14.762 -9.882 731 HB2 GLU 98 2HB GLU 98 2.973 -16.462 -12.318 732 HB3 GLU 98 3HB GLU 98 2.652 -17.164 -10.739 733 HG2 GLU 98 2HG GLU 98 0.485 -16.149 -10.659 734 HG3 GLU 98 3HG GLU 98 0.807 -15.244 -12.137 735 H GLU 99 H GLU 99 5.376 -14.493 -11.663 736 HA GLU 99 HA GLU 99 6.914 -16.259 -9.966 737 HB2 GLU 99 2HB GLU 99 7.363 -14.736 -12.431 738 HB3 GLU 99 3HB GLU 99 8.746 -14.747 -11.347 739 HG2 GLU 99 2HG GLU 99 7.319 -17.253 -12.181 740 HG3 GLU 99 3HG GLU 99 8.663 -16.566 -13.092 741 H GLN 100 H GLN 100 6.151 -12.870 -10.166 742 HA GLN 100 HA GLN 100 8.131 -12.223 -8.110 743 HB2 GLN 100 2HB GLN 100 6.499 -10.599 -10.026 744 HB3 GLN 100 3HB GLN 100 7.142 -9.843 -8.573 745 HG2 GLN 100 2HG GLN 100 8.904 -11.373 -10.451 746 HG3 GLN 100 3HG GLN 100 8.504 -9.678 -10.728 747 HE21 GLN 100 2HE2 GLN 100 11.537 -10.536 -8.405 748 HE22 GLN 100 1HE2 GLN 100 10.847 -11.551 -9.620 749 H LEU 101 H LEU 101 4.695 -12.509 -8.632 750 HA LEU 101 HA LEU 101 3.658 -11.106 -6.495 751 HB2 LEU 101 2HB LEU 101 2.222 -12.098 -8.133 752 HB3 LEU 101 3HB LEU 101 2.768 -13.717 -7.703 753 HG LEU 101 HG LEU 101 1.658 -13.502 -5.524 754 HD11 LEU 101 1HD1 LEU 101 -0.039 -11.280 -6.071 755 HD12 LEU 101 2HD1 LEU 101 1.641 -10.756 -6.177 756 HD13 LEU 101 3HD1 LEU 101 1.051 -11.535 -4.709 757 HD21 LEU 101 3HD2 LEU 101 -0.640 -13.622 -6.338 758 HD22 LEU 101 1HD2 LEU 101 0.460 -14.497 -7.404 759 HD23 LEU 101 2HD2 LEU 101 -0.141 -12.906 -7.872 760 H LYS 102 H LYS 102 4.818 -14.466 -6.537 761 HA LYS 102 HA LYS 102 4.308 -14.952 -3.790 762 HB2 LYS 102 2HB LYS 102 5.792 -16.324 -5.970 763 HB3 LYS 102 3HB LYS 102 6.204 -16.766 -4.319 764 HG2 LYS 102 2HG LYS 102 4.567 -18.302 -5.010 765 HG3 LYS 102 3HG LYS 102 3.737 -17.165 -3.945 766 HD2 LYS 102 2HD LYS 102 2.287 -16.708 -5.566 767 HD3 LYS 102 3HD LYS 102 3.608 -16.139 -6.589 768 HE2 LYS 102 2HE LYS 102 2.648 -17.815 -7.872 769 HE3 LYS 102 3HE LYS 102 3.989 -18.646 -7.086 770 HZ1 LYS 102 3HZ LYS 102 1.328 -19.365 -7.033 771 HZ2 LYS 102 1HZ LYS 102 1.656 -18.775 -5.482 772 HZ3 LYS 102 2HZ LYS 102 2.583 -20.038 -6.120 773 H ALA 103 H ALA 103 7.095 -13.750 -5.568 774 HA ALA 103 HA ALA 103 9.057 -13.930 -3.617 775 HB1 ALA 103 1HB ALA 103 10.233 -13.017 -5.258 776 HB2 ALA 103 2HB ALA 103 8.744 -12.636 -6.125 777 HB3 ALA 103 3HB ALA 103 9.423 -11.474 -4.985 778 H GLN 104 H GLN 104 6.492 -11.557 -4.015 779 HA GLN 104 HA GLN 104 7.428 -10.155 -1.609 780 HB2 GLN 104 2HB GLN 104 5.275 -9.210 -3.493 781 HB3 GLN 104 3HB GLN 104 6.172 -8.265 -2.312 782 HG2 GLN 104 2HG GLN 104 8.186 -8.461 -3.619 783 HG3 GLN 104 3HG GLN 104 7.373 -9.526 -4.765 784 HE21 GLN 104 2HE2 GLN 104 5.382 -6.857 -6.140 785 HE22 GLN 104 1HE2 GLN 104 5.220 -8.481 -5.573 786 H ALA 105 H ALA 105 5.855 -12.742 -1.852 787 HA ALA 105 HA ALA 105 3.603 -11.930 -0.131 788 HB1 ALA 105 1HB ALA 105 3.643 -14.309 -1.982 789 HB2 ALA 105 2HB ALA 105 2.289 -13.748 -1.001 790 HB3 ALA 105 3HB ALA 105 2.870 -12.767 -2.346 791 H GLY 106 H GLY 106 6.420 -12.766 0.477 792 HA2 GLY 106 2HA GLY 106 6.497 -13.848 2.807 793 HA3 GLY 106 3HA GLY 106 5.885 -15.258 1.954 794 H GLY 107 H GLY 107 7.427 -14.941 -0.424 795 HA2 GLY 107 2HA GLY 107 9.789 -14.777 -1.012 796 HA3 GLY 107 3HA GLY 107 10.164 -15.318 0.617 797 H THR 108 H THR 108 9.097 -16.281 -2.559 798 HA THR 108 HA THR 108 9.178 -18.282 -3.645 799 HB THR 108 HB THR 108 10.557 -19.595 -1.333 800 HG1 THR 108 HG1 THR 108 11.904 -17.907 -3.184 801 HG21 THR 108 3HG2 THR 108 10.969 -19.713 -4.323 802 HG22 THR 108 1HG2 THR 108 10.067 -20.886 -3.365 803 HG23 THR 108 2HG2 THR 108 11.803 -20.697 -3.121 804 H ASN 109 H ASN 109 6.805 -17.979 -2.838 805 HA ASN 109 HA ASN 109 4.869 -18.902 -2.069 806 HB2 ASN 109 2HB ASN 109 6.434 -21.474 -2.382 807 HB3 ASN 109 3HB ASN 109 4.680 -21.333 -2.302 808 HD21 ASN 109 2HD2 ASN 109 4.387 -20.974 -5.706 809 HD22 ASN 109 1HD2 ASN 109 3.745 -21.504 -4.192 810 H GLU 110 H GLU 110 6.828 -18.090 -0.079 811 HA GLU 110 HA GLU 110 5.611 -19.301 2.209 812 HB2 GLU 110 2HB GLU 110 7.934 -20.548 1.240 813 HB3 GLU 110 3HB GLU 110 8.451 -19.607 2.632 814 HG2 GLU 110 2HG GLU 110 7.592 -21.087 4.029 815 HG3 GLU 110 3HG GLU 110 6.019 -20.995 3.240 Start of MODEL 20 1 H1 MET 1 H MET 1 2.328 2.623 0.533 2 HA MET 1 HA MET 1 3.286 2.093 -1.647 3 HB2 MET 1 2HB MET 1 3.065 -0.370 0.094 4 HB3 MET 1 3HB MET 1 4.251 -0.119 -1.180 5 HG2 MET 1 2HG MET 1 5.598 0.715 0.362 6 HG3 MET 1 3HG MET 1 4.516 2.103 0.456 7 HE1 MET 1 3HE MET 1 5.473 -0.808 3.701 8 HE2 MET 1 1HE MET 1 5.764 -1.159 1.997 9 HE3 MET 1 2HE MET 1 6.499 0.260 2.743 10 H ILE 2 H ILE 2 0.528 2.133 -2.160 11 HA ILE 2 HA ILE 2 0.240 -0.282 -3.823 12 HB ILE 2 HB ILE 2 -1.373 -0.318 -1.964 13 HG12 ILE 2 2HG1 ILE 2 -2.514 0.141 -4.725 14 HG13 ILE 2 3HG1 ILE 2 -2.036 -1.396 -4.012 15 HG21 ILE 2 1HG2 ILE 2 -2.995 1.883 -3.028 16 HG22 ILE 2 2HG2 ILE 2 -2.667 1.415 -1.360 17 HG23 ILE 2 3HG2 ILE 2 -1.491 2.378 -2.253 18 HD11 ILE 2 3HD1 ILE 2 -4.534 0.063 -3.803 19 HD12 ILE 2 1HD1 ILE 2 -4.183 -1.639 -3.502 20 HD13 ILE 2 2HD1 ILE 2 -3.900 -0.442 -2.237 21 HA PRO 3 HA PRO 3 0.180 3.611 -6.414 22 HB2 PRO 3 2HB PRO 3 2.081 2.784 -8.167 23 HB3 PRO 3 3HB PRO 3 2.464 3.633 -6.665 24 HG2 PRO 3 2HG PRO 3 2.558 0.701 -7.260 25 HG3 PRO 3 3HG PRO 3 3.722 1.700 -6.369 26 HD2 PRO 3 2HD PRO 3 1.905 0.123 -5.127 27 HD3 PRO 3 3HD PRO 3 2.469 1.657 -4.435 28 H SER 4 H SER 4 -1.129 3.785 -8.142 29 HA SER 4 HA SER 4 -2.607 3.195 -9.770 30 HB2 SER 4 2HB SER 4 -0.285 2.648 -10.800 31 HB3 SER 4 3HB SER 4 -0.748 0.964 -10.553 32 HG SER 4 HG SER 4 -2.570 1.333 -11.850 33 H PHE 5 H PHE 5 -2.869 1.926 -7.169 34 HA PHE 5 HA PHE 5 -3.919 0.190 -6.113 35 HB2 PHE 5 2HB PHE 5 -5.491 0.646 -8.626 36 HB3 PHE 5 3HB PHE 5 -5.962 -0.638 -7.517 37 HD1 PHE 5 HD1 PHE 5 -7.226 -0.167 -5.616 38 HD2 PHE 5 HD2 PHE 5 -5.327 3.009 -7.720 39 HE1 PHE 5 HE1 PHE 5 -8.442 1.469 -4.238 40 HE2 PHE 5 HE2 PHE 5 -6.539 4.649 -6.345 41 HZ PHE 5 HZ PHE 5 -8.099 3.880 -4.601 42 H ALA 6 H ALA 6 -2.148 -1.267 -6.155 43 HA ALA 6 HA ALA 6 -1.219 -3.322 -6.474 44 HB1 ALA 6 1HB ALA 6 -3.569 -4.074 -8.184 45 HB2 ALA 6 2HB ALA 6 -2.568 -5.108 -7.164 46 HB3 ALA 6 3HB ALA 6 -3.692 -3.965 -6.428 47 HA PRO 7 HA PRO 7 0.398 -1.935 -10.548 48 HB2 PRO 7 2HB PRO 7 3.004 -2.161 -9.824 49 HB3 PRO 7 3HB PRO 7 2.034 -0.723 -9.483 50 HG2 PRO 7 2HG PRO 7 2.734 -3.006 -7.679 51 HG3 PRO 7 3HG PRO 7 2.721 -1.268 -7.330 52 HD2 PRO 7 2HD PRO 7 0.710 -2.919 -6.582 53 HD3 PRO 7 3HD PRO 7 0.438 -1.220 -7.018 54 H GLY 8 H GLY 8 0.664 -3.338 -12.168 55 HA2 GLY 8 2HA GLY 8 2.006 -5.158 -13.105 56 HA3 GLY 8 3HA GLY 8 1.862 -5.967 -11.551 57 H THR 9 H THR 9 -0.932 -4.359 -12.748 58 HA THR 9 HA THR 9 -2.226 -6.949 -13.144 59 HB THR 9 HB THR 9 -3.695 -4.340 -13.262 60 HG1 THR 9 HG1 THR 9 -2.879 -3.959 -11.326 61 HG21 THR 9 3HG2 THR 9 -5.195 -6.054 -11.808 62 HG22 THR 9 1HG2 THR 9 -4.306 -7.192 -12.820 63 HG23 THR 9 2HG2 THR 9 -5.281 -5.924 -13.564 64 H LEU 10 H LEU 10 -2.879 -7.686 -15.073 65 HA LEU 10 HA LEU 10 -2.304 -6.050 -17.423 66 HB2 LEU 10 2HB LEU 10 -1.486 -8.439 -17.125 67 HB3 LEU 10 3HB LEU 10 -3.157 -8.933 -17.389 68 HG LEU 10 HG LEU 10 -1.673 -7.275 -19.406 69 HD11 LEU 10 1HD1 LEU 10 -1.727 -9.915 -20.306 70 HD12 LEU 10 2HD1 LEU 10 -1.124 -9.997 -18.651 71 HD13 LEU 10 3HD1 LEU 10 -0.312 -8.973 -19.836 72 HD21 LEU 10 3HD2 LEU 10 -4.015 -7.327 -19.774 73 HD22 LEU 10 1HD2 LEU 10 -4.095 -9.061 -19.462 74 HD23 LEU 10 2HD2 LEU 10 -3.298 -8.463 -20.918 75 H VAL 11 H VAL 11 -3.884 -4.909 -18.307 76 HA VAL 11 HA VAL 11 -6.630 -5.977 -18.193 77 HB VAL 11 HB VAL 11 -7.476 -3.690 -18.156 78 HG11 VAL 11 1HG1 VAL 11 -5.456 -3.782 -15.955 79 HG12 VAL 11 2HG1 VAL 11 -7.155 -3.310 -15.898 80 HG13 VAL 11 3HG1 VAL 11 -6.716 -5.012 -16.051 81 HG21 VAL 11 3HG2 VAL 11 -4.586 -3.028 -18.438 82 HG22 VAL 11 1HG2 VAL 11 -5.992 -2.304 -19.218 83 HG23 VAL 11 2HG2 VAL 11 -5.624 -1.926 -17.535 84 H TRP 12 H TRP 12 -8.012 -4.630 -19.901 85 HA TRP 12 HA TRP 12 -6.526 -4.754 -22.444 86 HB2 TRP 12 2HB TRP 12 -9.254 -5.714 -21.686 87 HB3 TRP 12 3HB TRP 12 -8.977 -5.168 -23.337 88 HD1 TRP 12 HD1 TRP 12 -6.165 -6.992 -21.535 89 HE1 TRP 12 HE1 TRP 12 -5.832 -9.299 -22.626 90 HE3 TRP 12 HE3 TRP 12 -10.253 -7.035 -24.605 91 HZ2 TRP 12 HZ2 TRP 12 -7.129 -10.922 -24.537 92 HZ3 TRP 12 HZ3 TRP 12 -10.634 -9.002 -26.033 93 HH2 TRP 12 HH2 TRP 12 -9.103 -10.904 -25.999 94 H LEU 13 H LEU 13 -6.588 -3.026 -23.757 95 HA LEU 13 HA LEU 13 -8.341 -0.792 -22.971 96 HB2 LEU 13 2HB LEU 13 -5.564 -0.887 -23.260 97 HB3 LEU 13 3HB LEU 13 -6.149 -0.032 -24.685 98 HG LEU 13 HG LEU 13 -7.454 1.047 -22.396 99 HD11 LEU 13 1HD1 LEU 13 -4.561 1.524 -22.056 100 HD12 LEU 13 2HD1 LEU 13 -5.177 -0.025 -21.481 101 HD13 LEU 13 3HD1 LEU 13 -5.856 1.479 -20.860 102 HD21 LEU 13 3HD2 LEU 13 -6.347 3.102 -23.151 103 HD22 LEU 13 1HD2 LEU 13 -7.076 2.217 -24.492 104 HD23 LEU 13 2HD2 LEU 13 -5.332 2.149 -24.236 105 H LYS 14 H LYS 14 -9.954 -0.425 -24.325 106 HA LYS 14 HA LYS 14 -9.653 -1.214 -27.142 107 HB2 LYS 14 2HB LYS 14 -11.502 -2.297 -25.954 108 HB3 LYS 14 3HB LYS 14 -12.159 -0.724 -25.522 109 HG2 LYS 14 2HG LYS 14 -12.533 -0.231 -27.887 110 HG3 LYS 14 3HG LYS 14 -11.882 -1.815 -28.316 111 HD2 LYS 14 2HD LYS 14 -13.949 -2.620 -28.126 112 HD3 LYS 14 3HD LYS 14 -13.833 -2.330 -26.389 113 HE2 LYS 14 2HE LYS 14 -15.731 -1.146 -26.876 114 HE3 LYS 14 3HE LYS 14 -14.514 0.112 -27.084 115 HZ1 LYS 14 3HZ LYS 14 -15.780 -1.494 -29.236 116 HZ2 LYS 14 1HZ LYS 14 -14.521 -0.390 -29.479 117 HZ3 LYS 14 2HZ LYS 14 -16.025 0.151 -28.926 118 H GLN 15 H GLN 15 -9.128 0.413 -28.440 119 HA GLN 15 HA GLN 15 -9.608 3.150 -27.740 120 HB2 GLN 15 2HB GLN 15 -8.114 1.689 -29.779 121 HB3 GLN 15 3HB GLN 15 -8.880 3.142 -30.407 122 HG2 GLN 15 2HG GLN 15 -6.997 4.129 -29.708 123 HG3 GLN 15 3HG GLN 15 -7.803 4.114 -28.140 124 HE21 GLN 15 2HE2 GLN 15 -5.621 1.842 -26.669 125 HE22 GLN 15 1HE2 GLN 15 -7.096 2.733 -26.553 126 H ASP 16 H ASP 16 -10.671 4.673 -29.272 127 HA ASP 16 HA ASP 16 -13.357 3.935 -29.691 128 HB2 ASP 16 2HB ASP 16 -12.617 6.259 -29.275 129 HB3 ASP 16 3HB ASP 16 -11.855 6.285 -30.863 130 H ARG 17 H ARG 17 -10.800 4.670 -32.067 131 HA ARG 17 HA ARG 17 -12.408 3.400 -34.151 132 HB2 ARG 17 2HB ARG 17 -10.532 5.560 -34.083 133 HB3 ARG 17 3HB ARG 17 -9.933 4.326 -35.184 134 HG2 ARG 17 2HG ARG 17 -12.192 4.366 -36.287 135 HG3 ARG 17 3HG ARG 17 -12.557 5.786 -35.305 136 HD2 ARG 17 2HD ARG 17 -11.775 6.769 -37.230 137 HD3 ARG 17 3HD ARG 17 -10.296 6.669 -36.275 138 HE ARG 17 HE ARG 17 -10.625 4.355 -37.882 139 HH11 ARG 17 1HH1 ARG 17 -9.714 7.712 -38.028 140 HH12 ARG 17 2HH1 ARG 17 -8.694 7.510 -39.414 141 HH21 ARG 17 2HH2 ARG 17 -8.451 5.441 -40.368 142 HH22 ARG 17 1HH2 ARG 17 -9.285 4.076 -39.707 143 H PHE 18 H PHE 18 -9.602 2.872 -32.204 144 HA PHE 18 HA PHE 18 -8.668 0.679 -33.885 145 HB2 PHE 18 2HB PHE 18 -7.484 2.408 -31.882 146 HB3 PHE 18 3HB PHE 18 -7.151 0.714 -31.536 147 HD1 PHE 18 HD1 PHE 18 -4.995 0.239 -32.168 148 HD2 PHE 18 HD2 PHE 18 -7.424 2.613 -34.733 149 HE1 PHE 18 HE1 PHE 18 -3.201 0.249 -33.853 150 HE2 PHE 18 HE2 PHE 18 -5.635 2.626 -36.422 151 HZ PHE 18 HZ PHE 18 -3.520 1.442 -35.983 152 HA PRO 19 HA PRO 19 -10.539 -2.564 -31.597 153 HB2 PRO 19 2HB PRO 19 -8.610 -4.473 -31.659 154 HB3 PRO 19 3HB PRO 19 -9.564 -4.025 -33.078 155 HG2 PRO 19 2HG PRO 19 -6.801 -3.170 -32.307 156 HG3 PRO 19 3HG PRO 19 -7.420 -3.651 -33.897 157 HD2 PRO 19 2HD PRO 19 -7.076 -1.060 -33.192 158 HD3 PRO 19 3HD PRO 19 -8.363 -1.586 -34.295 159 H TRP 20 H TRP 20 -9.656 -4.403 -29.904 160 HA TRP 20 HA TRP 20 -8.624 -2.825 -27.653 161 HB2 TRP 20 2HB TRP 20 -9.558 -4.768 -26.287 162 HB3 TRP 20 3HB TRP 20 -10.734 -3.743 -27.104 163 HD1 TRP 20 HD1 TRP 20 -9.217 -7.260 -27.253 164 HE1 TRP 20 HE1 TRP 20 -10.751 -8.753 -28.682 165 HE3 TRP 20 HE3 TRP 20 -12.453 -3.693 -28.967 166 HZ2 TRP 20 HZ2 TRP 20 -13.030 -8.457 -30.320 167 HZ3 TRP 20 HZ3 TRP 20 -14.283 -4.381 -30.461 168 HH2 TRP 20 HH2 TRP 20 -14.563 -6.714 -31.123 169 H TRP 21 H TRP 21 -6.619 -3.157 -26.975 170 HA TRP 21 HA TRP 21 -5.361 -5.764 -27.527 171 HB2 TRP 21 2HB TRP 21 -4.162 -2.999 -27.705 172 HB3 TRP 21 3HB TRP 21 -3.188 -4.466 -27.659 173 HD1 TRP 21 HD1 TRP 21 -4.370 -2.139 -30.094 174 HE1 TRP 21 HE1 TRP 21 -4.605 -3.193 -32.431 175 HE3 TRP 21 HE3 TRP 21 -4.223 -7.077 -28.777 176 HZ2 TRP 21 HZ2 TRP 21 -4.714 -5.775 -33.565 177 HZ3 TRP 21 HZ3 TRP 21 -4.399 -8.776 -30.548 178 HH2 TRP 21 HH2 TRP 21 -4.640 -8.136 -32.892 179 HA PRO 22 HA PRO 22 -4.434 -6.079 -23.248 180 HB2 PRO 22 2HB PRO 22 -2.081 -7.431 -23.317 181 HB3 PRO 22 3HB PRO 22 -3.634 -8.185 -23.699 182 HG2 PRO 22 2HG PRO 22 -1.533 -7.132 -25.553 183 HG3 PRO 22 3HG PRO 22 -2.473 -8.632 -25.663 184 HD2 PRO 22 2HD PRO 22 -3.084 -6.421 -27.103 185 HD3 PRO 22 3HD PRO 22 -4.320 -7.559 -26.529 186 H GLY 23 H GLY 23 -3.171 -5.208 -21.586 187 HA2 GLY 23 2HA GLY 23 -0.717 -3.808 -22.167 188 HA3 GLY 23 3HA GLY 23 -2.076 -2.739 -21.854 189 H PHE 24 H PHE 24 0.534 -3.718 -20.412 190 HA PHE 24 HA PHE 24 -0.536 -4.670 -17.899 191 HB2 PHE 24 2HB PHE 24 1.905 -4.927 -19.145 192 HB3 PHE 24 3HB PHE 24 2.241 -3.732 -17.896 193 HD1 PHE 24 HD1 PHE 24 3.218 -4.656 -16.048 194 HD2 PHE 24 HD2 PHE 24 0.186 -6.846 -18.080 195 HE1 PHE 24 HE1 PHE 24 3.401 -6.453 -14.378 196 HE2 PHE 24 HE2 PHE 24 0.365 -8.646 -16.413 197 HZ PHE 24 HZ PHE 24 1.973 -8.451 -14.558 198 H VAL 25 H VAL 25 -1.069 -3.468 -16.189 199 HA VAL 25 HA VAL 25 -0.958 -0.591 -16.400 200 HB VAL 25 HB VAL 25 -2.000 -2.333 -14.161 201 HG11 VAL 25 1HG1 VAL 25 -1.963 -0.424 -12.997 202 HG12 VAL 25 2HG1 VAL 25 -1.661 0.553 -14.436 203 HG13 VAL 25 3HG1 VAL 25 -3.308 0.073 -14.024 204 HG21 VAL 25 3HG2 VAL 25 -3.942 -0.850 -15.732 205 HG22 VAL 25 1HG2 VAL 25 -3.027 -2.002 -16.705 206 HG23 VAL 25 2HG2 VAL 25 -3.916 -2.556 -15.286 207 H MET 26 H MET 26 0.732 0.564 -15.773 208 HA MET 26 HA MET 26 2.200 -0.258 -13.368 209 HB2 MET 26 2HB MET 26 3.450 0.590 -15.987 210 HB3 MET 26 3HB MET 26 4.331 0.392 -14.477 211 HG2 MET 26 2HG MET 26 3.089 -2.009 -14.678 212 HG3 MET 26 3HG MET 26 3.355 -1.614 -16.374 213 HE1 MET 26 3HE MET 26 6.197 -1.204 -17.333 214 HE2 MET 26 1HE MET 26 6.638 -2.883 -17.017 215 HE3 MET 26 2HE MET 26 4.988 -2.480 -17.491 216 H ASP 27 H ASP 27 2.900 1.395 -12.073 217 HA ASP 27 HA ASP 27 1.733 3.994 -12.591 218 HB2 ASP 27 2HB ASP 27 2.160 4.491 -10.322 219 HB3 ASP 27 3HB ASP 27 1.720 2.785 -10.337 220 HA PRO 28 HA PRO 28 5.366 5.910 -14.169 221 HB2 PRO 28 2HB PRO 28 4.814 8.489 -13.524 222 HB3 PRO 28 3HB PRO 28 3.991 7.628 -14.831 223 HG2 PRO 28 2HG PRO 28 3.070 8.145 -12.030 224 HG3 PRO 28 3HG PRO 28 2.159 8.261 -13.547 225 HD2 PRO 28 2HD PRO 28 1.966 6.128 -11.890 226 HD3 PRO 28 3HD PRO 28 1.802 5.986 -13.652 227 H ASP 29 H ASP 29 4.343 6.733 -10.877 228 HA ASP 29 HA ASP 29 6.825 6.202 -9.708 229 HB2 ASP 29 2HB ASP 29 7.025 8.532 -11.095 230 HB3 ASP 29 3HB ASP 29 6.509 9.131 -9.521 231 H GLU 30 H GLU 30 4.179 5.621 -9.121 232 HA GLU 30 HA GLU 30 2.758 5.486 -7.349 233 HB2 GLU 30 2HB GLU 30 4.775 7.102 -5.793 234 HB3 GLU 30 3HB GLU 30 3.568 5.992 -5.158 235 HG2 GLU 30 2HG GLU 30 4.740 4.118 -6.187 236 HG3 GLU 30 3HG GLU 30 5.947 5.226 -6.836 237 H VAL 31 H VAL 31 1.601 7.052 -8.851 238 HA VAL 31 HA VAL 31 1.411 9.771 -7.822 239 HB VAL 31 HB VAL 31 -0.174 10.122 -9.713 240 HG11 VAL 31 1HG1 VAL 31 1.619 9.676 -11.521 241 HG12 VAL 31 2HG1 VAL 31 1.996 10.787 -10.202 242 HG13 VAL 31 3HG1 VAL 31 2.615 9.135 -10.170 243 HG21 VAL 31 3HG2 VAL 31 -0.760 7.600 -9.732 244 HG22 VAL 31 1HG2 VAL 31 -0.692 8.475 -11.262 245 HG23 VAL 31 2HG2 VAL 31 0.655 7.448 -10.772 246 H ARG 32 H ARG 32 0.112 6.887 -6.990 247 HA ARG 32 HA ARG 32 -2.647 7.553 -6.711 248 HB2 ARG 32 2HB ARG 32 -1.648 5.219 -6.795 249 HB3 ARG 32 3HB ARG 32 -1.140 5.472 -5.131 250 HG2 ARG 32 2HG ARG 32 -3.918 6.119 -5.409 251 HG3 ARG 32 3HG ARG 32 -3.600 4.505 -6.048 252 HD2 ARG 32 2HD ARG 32 -3.163 3.656 -4.016 253 HD3 ARG 32 3HD ARG 32 -2.256 5.082 -3.512 254 HE ARG 32 HE ARG 32 -5.082 5.537 -3.632 255 HH11 ARG 32 1HH1 ARG 32 -2.488 4.288 -1.674 256 HH12 ARG 32 2HH1 ARG 32 -3.320 4.546 -0.177 257 HH21 ARG 32 2HH2 ARG 32 -5.425 5.452 -0.174 258 HH22 ARG 32 1HH2 ARG 32 -6.187 5.882 -1.667 259 H ASP 33 H ASP 33 0.200 7.971 -4.741 260 HA ASP 33 HA ASP 33 -1.446 8.977 -2.525 261 HB2 ASP 33 2HB ASP 33 0.940 7.418 -2.622 262 HB3 ASP 33 3HB ASP 33 1.322 8.954 -1.848 263 H ILE 34 H ILE 34 1.051 9.868 -4.816 264 HA ILE 34 HA ILE 34 0.901 12.644 -3.836 265 HB ILE 34 HB ILE 34 3.148 11.441 -5.451 266 HG12 ILE 34 2HG1 ILE 34 4.159 12.020 -2.951 267 HG13 ILE 34 3HG1 ILE 34 2.573 11.354 -2.579 268 HG21 ILE 34 1HG2 ILE 34 3.198 13.963 -3.823 269 HG22 ILE 34 2HG2 ILE 34 4.311 13.444 -5.088 270 HG23 ILE 34 3HG2 ILE 34 2.673 13.948 -5.506 271 HD11 ILE 34 3HD1 ILE 34 4.577 9.986 -4.351 272 HD12 ILE 34 1HD1 ILE 34 4.437 9.700 -2.616 273 HD13 ILE 34 2HD1 ILE 34 3.087 9.316 -3.685 274 H THR 35 H THR 35 -0.438 13.778 -5.077 275 HA THR 35 HA THR 35 -0.618 13.183 -7.938 276 HB THR 35 HB THR 35 -2.625 14.582 -7.945 277 HG1 THR 35 HG1 THR 35 -2.903 15.977 -6.389 278 HG21 THR 35 3HG2 THR 35 -4.024 13.216 -6.397 279 HG22 THR 35 1HG2 THR 35 -2.542 12.528 -5.735 280 HG23 THR 35 2HG2 THR 35 -2.961 12.257 -7.426 281 H LEU 36 H LEU 36 0.953 14.209 -9.034 282 HA LEU 36 HA LEU 36 1.330 17.086 -8.516 283 HB2 LEU 36 2HB LEU 36 3.210 14.937 -8.761 284 HB3 LEU 36 3HB LEU 36 3.483 16.111 -10.046 285 HG LEU 36 HG LEU 36 3.283 17.729 -7.860 286 HD11 LEU 36 1HD1 LEU 36 3.169 15.822 -6.339 287 HD12 LEU 36 2HD1 LEU 36 4.652 16.745 -6.102 288 HD13 LEU 36 3HD1 LEU 36 4.697 15.216 -6.978 289 HD21 LEU 36 3HD2 LEU 36 5.033 17.443 -9.772 290 HD22 LEU 36 1HD2 LEU 36 5.921 16.519 -8.560 291 HD23 LEU 36 2HD2 LEU 36 5.503 18.204 -8.252 292 HA PRO 37 HA PRO 37 -0.028 18.000 -12.590 293 HB2 PRO 37 2HB PRO 37 1.491 20.175 -13.168 294 HB3 PRO 37 3HB PRO 37 0.149 20.219 -12.020 295 HG2 PRO 37 2HG PRO 37 3.086 19.985 -11.491 296 HG3 PRO 37 3HG PRO 37 1.874 20.973 -10.655 297 HD2 PRO 37 2HD PRO 37 2.772 18.620 -9.662 298 HD3 PRO 37 3HD PRO 37 1.116 19.200 -9.393 299 H GLU 38 H GLU 38 0.406 17.149 -14.526 300 HA GLU 38 HA GLU 38 2.908 17.353 -15.832 301 HB2 GLU 38 2HB GLU 38 2.553 15.087 -14.072 302 HB3 GLU 38 3HB GLU 38 2.754 14.555 -15.735 303 HG2 GLU 38 2HG GLU 38 4.735 16.357 -15.594 304 HG3 GLU 38 3HG GLU 38 4.673 15.843 -13.910 305 H GLY 39 H GLY 39 0.409 14.806 -15.686 306 HA2 GLY 39 2HA GLY 39 -1.424 15.186 -17.426 307 HA3 GLY 39 3HA GLY 39 -0.081 15.280 -18.555 308 H SER 40 H SER 40 0.919 13.106 -16.364 309 HA SER 40 HA SER 40 -0.465 10.827 -17.591 310 HB2 SER 40 2HB SER 40 2.027 9.808 -17.439 311 HB3 SER 40 3HB SER 40 1.396 10.587 -18.889 312 HG SER 40 HG SER 40 3.479 11.310 -17.414 313 H ASP 41 H ASP 41 -1.444 9.927 -15.895 314 HA ASP 41 HA ASP 41 0.037 9.682 -13.368 315 HB2 ASP 41 2HB ASP 41 -1.940 9.827 -12.231 316 HB3 ASP 41 3HB ASP 41 -2.410 10.707 -13.683 317 H VAL 42 H VAL 42 -1.453 7.886 -15.937 318 HA VAL 42 HA VAL 42 -0.651 5.381 -14.604 319 HB VAL 42 HB VAL 42 -2.988 5.759 -16.482 320 HG11 VAL 42 1HG1 VAL 42 -3.402 3.339 -15.502 321 HG12 VAL 42 2HG1 VAL 42 -2.391 3.598 -16.925 322 HG13 VAL 42 3HG1 VAL 42 -1.646 3.363 -15.343 323 HG21 VAL 42 3HG2 VAL 42 -2.815 6.261 -13.738 324 HG22 VAL 42 1HG2 VAL 42 -4.280 6.114 -14.708 325 HG23 VAL 42 2HG2 VAL 42 -3.625 4.701 -13.880 326 H TRP 43 H TRP 43 0.525 3.942 -15.772 327 HA TRP 43 HA TRP 43 1.178 4.707 -18.543 328 HB2 TRP 43 2HB TRP 43 2.928 4.634 -16.452 329 HB3 TRP 43 3HB TRP 43 3.113 3.009 -17.106 330 HD1 TRP 43 HD1 TRP 43 2.600 4.114 -20.212 331 HE1 TRP 43 HE1 TRP 43 4.608 5.220 -21.382 332 HE3 TRP 43 HE3 TRP 43 5.407 5.263 -16.096 333 HZ2 TRP 43 HZ2 TRP 43 7.058 6.419 -20.657 334 HZ3 TRP 43 HZ3 TRP 43 7.570 6.389 -16.421 335 HH2 TRP 43 HH2 TRP 43 8.377 6.954 -18.655 336 H VAL 44 H VAL 44 0.287 3.353 -19.945 337 HA VAL 44 HA VAL 44 -0.143 0.556 -19.168 338 HB VAL 44 HB VAL 44 -1.280 2.075 -21.520 339 HG11 VAL 44 1HG1 VAL 44 -1.518 -0.044 -22.274 340 HG12 VAL 44 2HG1 VAL 44 -1.395 -0.749 -20.661 341 HG13 VAL 44 3HG1 VAL 44 -2.913 -0.028 -21.196 342 HG21 VAL 44 3HG2 VAL 44 -2.176 2.970 -19.479 343 HG22 VAL 44 1HG2 VAL 44 -3.405 1.952 -20.230 344 HG23 VAL 44 2HG2 VAL 44 -2.484 1.351 -18.852 345 H CYS 45 H CYS 45 1.346 -0.853 -19.790 346 HA CYS 45 HA CYS 45 2.988 -0.270 -22.143 347 HB2 CYS 45 2HB CYS 45 4.130 -0.824 -20.015 348 HB3 CYS 45 3HB CYS 45 3.347 -2.400 -20.024 349 HG CYS 45 HG CYS 45 4.850 -2.052 -22.894 350 H CYS 46 H CYS 46 1.815 -0.887 -23.896 351 HA CYS 46 HA CYS 46 0.252 -3.270 -23.980 352 HB2 CYS 46 2HB CYS 46 1.237 -1.457 -26.191 353 HB3 CYS 46 3HB CYS 46 0.096 -2.776 -26.423 354 HG CYS 46 HG CYS 46 -1.620 -0.750 -26.428 355 H LEU 47 H LEU 47 0.658 -4.816 -25.937 356 HA LEU 47 HA LEU 47 3.038 -6.241 -25.368 357 HB2 LEU 47 2HB LEU 47 2.144 -7.905 -26.603 358 HB3 LEU 47 3HB LEU 47 0.679 -6.949 -26.383 359 HG LEU 47 HG LEU 47 2.451 -6.927 -28.827 360 HD11 LEU 47 1HD1 LEU 47 1.082 -8.428 -29.796 361 HD12 LEU 47 2HD1 LEU 47 -0.352 -7.814 -28.974 362 HD13 LEU 47 3HD1 LEU 47 0.752 -8.899 -28.129 363 HD21 LEU 47 3HD2 LEU 47 0.351 -5.146 -27.878 364 HD22 LEU 47 1HD2 LEU 47 0.028 -5.807 -29.481 365 HD23 LEU 47 2HD2 LEU 47 1.525 -4.926 -29.176 366 HA PRO 48 HA PRO 48 5.973 -4.616 -28.196 367 HB2 PRO 48 2HB PRO 48 7.276 -6.853 -29.014 368 HB3 PRO 48 3HB PRO 48 7.459 -6.174 -27.393 369 HG2 PRO 48 2HG PRO 48 5.758 -8.461 -28.307 370 HG3 PRO 48 3HG PRO 48 6.766 -8.327 -26.854 371 HD2 PRO 48 2HD PRO 48 4.081 -7.975 -26.802 372 HD3 PRO 48 3HD PRO 48 5.180 -7.103 -25.714 373 H ARG 49 H ARG 49 5.103 -3.756 -30.008 374 HA ARG 49 HA ARG 49 5.042 -5.369 -32.391 375 HB2 ARG 49 2HB ARG 49 2.749 -5.037 -32.978 376 HB3 ARG 49 3HB ARG 49 2.781 -5.725 -31.360 377 HG2 ARG 49 2HG ARG 49 1.274 -4.094 -30.976 378 HG3 ARG 49 3HG ARG 49 2.732 -3.134 -30.716 379 HD2 ARG 49 2HD ARG 49 2.579 -2.114 -32.805 380 HD3 ARG 49 3HD ARG 49 1.512 -3.366 -33.441 381 HE ARG 49 HE ARG 49 0.123 -2.170 -31.387 382 HH11 ARG 49 1HH1 ARG 49 1.552 -1.162 -34.398 383 HH12 ARG 49 2HH1 ARG 49 0.409 0.113 -34.663 384 HH21 ARG 49 2HH2 ARG 49 -1.262 0.492 -33.143 385 HH22 ARG 49 1HH2 ARG 49 -1.388 -0.495 -31.726 386 H ASP 50 H ASP 50 4.531 -2.290 -30.795 387 HA ASP 50 HA ASP 50 5.183 -0.906 -33.311 388 HB2 ASP 50 2HB ASP 50 3.076 -0.462 -31.558 389 HB3 ASP 50 3HB ASP 50 4.234 0.802 -31.149 390 H SER 51 H SER 51 6.854 -2.130 -30.985 391 HA SER 51 HA SER 51 8.927 -1.716 -30.131 392 HB2 SER 51 2HB SER 51 9.124 -0.435 -32.398 393 HB3 SER 51 3HB SER 51 8.975 1.008 -31.395 394 HG SER 51 HG SER 51 10.980 0.752 -30.863 395 H LEU 52 H LEU 52 7.290 -1.521 -28.253 396 HA LEU 52 HA LEU 52 6.840 -0.612 -26.218 397 HB2 LEU 52 2HB LEU 52 9.314 0.660 -27.064 398 HB3 LEU 52 3HB LEU 52 8.366 1.679 -25.983 399 HG LEU 52 HG LEU 52 8.427 -0.004 -24.262 400 HD11 LEU 52 1HD1 LEU 52 9.277 -1.712 -26.484 401 HD12 LEU 52 2HD1 LEU 52 8.426 -2.121 -24.994 402 HD13 LEU 52 3HD1 LEU 52 10.181 -1.951 -24.988 403 HD21 LEU 52 3HD2 LEU 52 11.047 0.707 -25.534 404 HD22 LEU 52 1HD2 LEU 52 10.975 -0.224 -24.038 405 HD23 LEU 52 2HD2 LEU 52 10.284 1.398 -24.102 406 H THR 53 H THR 53 4.758 -0.072 -27.174 407 HA THR 53 HA THR 53 4.383 2.737 -27.890 408 HB THR 53 HB THR 53 1.989 1.043 -27.812 409 HG1 THR 53 HG1 THR 53 2.833 -0.596 -28.836 410 HG21 THR 53 3HG2 THR 53 1.981 3.221 -28.869 411 HG22 THR 53 1HG2 THR 53 1.728 1.979 -30.094 412 HG23 THR 53 2HG2 THR 53 3.307 2.746 -29.930 413 H LEU 54 H LEU 54 5.057 2.205 -25.195 414 HA LEU 54 HA LEU 54 2.964 1.952 -23.406 415 HB2 LEU 54 2HB LEU 54 5.328 3.792 -23.091 416 HB3 LEU 54 3HB LEU 54 4.350 3.096 -21.800 417 HG LEU 54 HG LEU 54 5.437 0.978 -23.377 418 HD11 LEU 54 1HD1 LEU 54 7.861 1.667 -22.432 419 HD12 LEU 54 2HD1 LEU 54 7.245 3.252 -22.897 420 HD13 LEU 54 3HD1 LEU 54 7.335 1.957 -24.090 421 HD21 LEU 54 3HD2 LEU 54 5.962 1.921 -20.560 422 HD22 LEU 54 1HD2 LEU 54 6.436 0.354 -21.216 423 HD23 LEU 54 2HD2 LEU 54 4.728 0.768 -21.070 424 H SER 55 H SER 55 1.201 3.110 -23.034 425 HA SER 55 HA SER 55 1.110 5.883 -24.010 426 HB2 SER 55 2HB SER 55 -0.715 3.693 -24.227 427 HB3 SER 55 3HB SER 55 -1.485 4.968 -23.283 428 HG SER 55 HG SER 55 -1.270 4.879 -25.868 429 H ALA 56 H ALA 56 1.187 7.450 -22.556 430 HA ALA 56 HA ALA 56 0.422 6.839 -19.779 431 HB1 ALA 56 1HB ALA 56 2.114 9.189 -20.521 432 HB2 ALA 56 2HB ALA 56 2.050 8.286 -19.007 433 HB3 ALA 56 3HB ALA 56 2.827 7.578 -20.423 434 H ALA 57 H ALA 57 -1.125 8.010 -18.787 435 HA ALA 57 HA ALA 57 -1.974 10.572 -19.825 436 HB1 ALA 57 1HB ALA 57 -4.278 8.780 -19.576 437 HB2 ALA 57 2HB ALA 57 -3.919 10.010 -20.788 438 HB3 ALA 57 3HB ALA 57 -3.202 8.405 -20.923 439 H ASN 58 H ASN 58 -3.089 11.797 -18.329 440 HA ASN 58 HA ASN 58 -3.400 10.570 -15.667 441 HB2 ASN 58 2HB ASN 58 -1.628 12.195 -15.601 442 HB3 ASN 58 3HB ASN 58 -2.621 13.389 -16.430 443 HD21 ASN 58 2HD2 ASN 58 -2.952 14.617 -13.138 444 HD22 ASN 58 1HD2 ASN 58 -2.015 14.721 -14.586 445 H SER 59 H SER 59 -5.507 10.136 -15.430 446 HA SER 59 HA SER 59 -7.769 10.387 -15.351 447 HB2 SER 59 2HB SER 59 -7.260 13.349 -15.085 448 HB3 SER 59 3HB SER 59 -8.579 12.402 -14.394 449 HG SER 59 HG SER 59 -7.079 11.409 -13.023 450 H GLU 60 H GLU 60 -6.495 10.507 -17.956 451 HA GLU 60 HA GLU 60 -8.461 12.166 -19.394 452 HB2 GLU 60 2HB GLU 60 -5.580 11.611 -19.907 453 HB3 GLU 60 3HB GLU 60 -6.640 11.794 -21.298 454 HG2 GLU 60 2HG GLU 60 -7.376 13.985 -20.323 455 HG3 GLU 60 3HG GLU 60 -6.088 13.803 -19.134 456 H ASP 61 H ASP 61 -7.005 9.035 -19.027 457 HA ASP 61 HA ASP 61 -8.391 7.954 -21.348 458 HB2 ASP 61 2HB ASP 61 -6.072 7.232 -20.811 459 HB3 ASP 61 3HB ASP 61 -6.667 6.531 -19.309 460 H GLU 62 H GLU 62 -10.500 7.593 -21.092 461 HA GLU 62 HA GLU 62 -11.365 5.877 -18.910 462 HB2 GLU 62 2HB GLU 62 -11.705 8.624 -18.692 463 HB3 GLU 62 3HB GLU 62 -13.263 8.055 -19.277 464 HG2 GLU 62 2HG GLU 62 -11.911 6.763 -16.939 465 HG3 GLU 62 3HG GLU 62 -12.896 8.213 -16.751 466 H GLY 63 H GLY 63 -11.091 5.868 -21.911 467 HA2 GLY 63 2HA GLY 63 -13.688 5.899 -23.053 468 HA3 GLY 63 3HA GLY 63 -12.264 5.138 -23.748 469 H GLN 64 H GLN 64 -11.950 2.956 -23.511 470 HA GLN 64 HA GLN 64 -13.980 1.478 -21.981 471 HB2 GLN 64 2HB GLN 64 -14.673 1.376 -24.289 472 HB3 GLN 64 3HB GLN 64 -13.055 0.913 -24.800 473 HG2 GLN 64 2HG GLN 64 -14.666 -0.961 -24.762 474 HG3 GLN 64 3HG GLN 64 -13.255 -1.216 -23.736 475 HE21 GLN 64 2HE2 GLN 64 -15.462 -2.231 -21.260 476 HE22 GLN 64 1HE2 GLN 64 -14.188 -2.647 -22.349 477 H ILE 65 H ILE 65 -13.127 0.067 -20.608 478 HA ILE 65 HA ILE 65 -10.573 -1.211 -21.247 479 HB ILE 65 HB ILE 65 -9.951 0.698 -19.875 480 HG12 ILE 65 2HG1 ILE 65 -9.738 -1.443 -17.849 481 HG13 ILE 65 3HG1 ILE 65 -9.186 -1.876 -19.464 482 HG21 ILE 65 1HG2 ILE 65 -12.366 0.050 -18.491 483 HG22 ILE 65 2HG2 ILE 65 -11.023 0.061 -17.350 484 HG23 ILE 65 3HG2 ILE 65 -11.349 1.483 -18.341 485 HD11 ILE 65 3HD1 ILE 65 -8.228 0.703 -18.410 486 HD12 ILE 65 1HD1 ILE 65 -7.619 -0.749 -17.616 487 HD13 ILE 65 2HD1 ILE 65 -7.387 -0.529 -19.350 488 H ARG 66 H ARG 66 -10.292 -3.240 -20.353 489 HA ARG 66 HA ARG 66 -12.472 -4.276 -18.678 490 HB2 ARG 66 2HB ARG 66 -11.806 -5.053 -21.395 491 HB3 ARG 66 3HB ARG 66 -11.703 -6.418 -20.290 492 HG2 ARG 66 2HG ARG 66 -14.098 -4.766 -19.955 493 HG3 ARG 66 3HG ARG 66 -13.970 -5.575 -21.518 494 HD2 ARG 66 2HD ARG 66 -14.357 -7.593 -20.629 495 HD3 ARG 66 3HD ARG 66 -13.282 -7.293 -19.264 496 HE ARG 66 HE ARG 66 -15.123 -6.819 -18.014 497 HH11 ARG 66 1HH1 ARG 66 -15.923 -6.346 -21.369 498 HH12 ARG 66 2HH1 ARG 66 -17.590 -5.993 -21.056 499 HH21 ARG 66 2HH2 ARG 66 -18.381 -5.997 -18.906 500 HH22 ARG 66 1HH2 ARG 66 -17.315 -6.355 -17.589 501 H TYR 67 H TYR 67 -11.843 -5.574 -17.045 502 HA TYR 67 HA TYR 67 -9.068 -5.749 -16.418 503 HB2 TYR 67 2HB TYR 67 -11.392 -7.154 -15.087 504 HB3 TYR 67 3HB TYR 67 -9.788 -6.909 -14.404 505 HD1 TYR 67 HD1 TYR 67 -12.979 -5.859 -14.042 506 HD2 TYR 67 HD2 TYR 67 -9.123 -4.199 -14.737 507 HE1 TYR 67 HE1 TYR 67 -13.727 -3.728 -13.068 508 HE2 TYR 67 HE2 TYR 67 -9.861 -2.064 -13.763 509 HH TYR 67 HH TYR 67 -13.185 -1.632 -12.586 510 H PHE 68 H PHE 68 -7.653 -7.281 -16.925 511 HA PHE 68 HA PHE 68 -8.682 -9.834 -17.975 512 HB2 PHE 68 2HB PHE 68 -7.179 -8.075 -19.354 513 HB3 PHE 68 3HB PHE 68 -5.899 -9.017 -18.596 514 HD1 PHE 68 HD1 PHE 68 -9.114 -9.577 -20.408 515 HD2 PHE 68 HD2 PHE 68 -5.098 -10.825 -19.752 516 HE1 PHE 68 HE1 PHE 68 -9.373 -11.308 -22.137 517 HE2 PHE 68 HE2 PHE 68 -5.351 -12.558 -21.480 518 HZ PHE 68 HZ PHE 68 -7.490 -12.800 -22.676 519 H LEU 69 H LEU 69 -7.795 -11.749 -17.270 520 HA LEU 69 HA LEU 69 -5.462 -12.049 -15.767 521 HB2 LEU 69 2HB LEU 69 -7.694 -11.034 -14.280 522 HB3 LEU 69 3HB LEU 69 -7.273 -12.644 -13.699 523 HG LEU 69 HG LEU 69 -5.098 -10.632 -14.012 524 HD11 LEU 69 1HD1 LEU 69 -7.418 -10.135 -12.453 525 HD12 LEU 69 2HD1 LEU 69 -5.929 -9.196 -12.546 526 HD13 LEU 69 3HD1 LEU 69 -6.081 -10.490 -11.358 527 HD21 LEU 69 3HD2 LEU 69 -4.364 -12.768 -13.368 528 HD22 LEU 69 1HD2 LEU 69 -5.691 -12.973 -12.225 529 HD23 LEU 69 2HD2 LEU 69 -4.396 -11.828 -11.875 530 HA PRO 70 HA PRO 70 -8.116 -16.051 -15.298 531 HB2 PRO 70 2HB PRO 70 -10.716 -15.933 -16.072 532 HB3 PRO 70 3HB PRO 70 -10.185 -15.556 -14.429 533 HG2 PRO 70 2HG PRO 70 -10.832 -13.696 -16.683 534 HG3 PRO 70 3HG PRO 70 -11.269 -13.572 -14.969 535 HD2 PRO 70 2HD PRO 70 -9.218 -12.176 -16.054 536 HD3 PRO 70 3HD PRO 70 -9.202 -12.744 -14.372 537 H ASP 71 H ASP 71 -8.229 -13.924 -17.972 538 HA ASP 71 HA ASP 71 -8.210 -14.215 -20.233 539 HB2 ASP 71 2HB ASP 71 -7.115 -16.974 -19.811 540 HB3 ASP 71 3HB ASP 71 -6.668 -15.773 -21.020 541 H ARG 72 H ARG 72 -10.629 -14.990 -18.886 542 HA ARG 72 HA ARG 72 -11.648 -16.907 -20.866 543 HB2 ARG 72 2HB ARG 72 -12.018 -16.951 -17.888 544 HB3 ARG 72 3HB ARG 72 -13.243 -17.636 -18.947 545 HG2 ARG 72 2HG ARG 72 -10.474 -18.502 -19.458 546 HG3 ARG 72 3HG ARG 72 -11.190 -19.035 -17.935 547 HD2 ARG 72 2HD ARG 72 -13.229 -19.607 -19.532 548 HD3 ARG 72 3HD ARG 72 -11.940 -19.699 -20.732 549 HE ARG 72 HE ARG 72 -11.311 -21.181 -18.381 550 HH11 ARG 72 1HH1 ARG 72 -13.147 -21.269 -21.337 551 HH12 ARG 72 2HH1 ARG 72 -13.147 -22.999 -21.439 552 HH21 ARG 72 2HH2 ARG 72 -12.099 -24.243 -19.826 553 HH22 ARG 72 1HH2 ARG 72 -11.304 -23.458 -18.503 554 H ASP 73 H ASP 73 -11.683 -13.942 -20.601 555 HA ASP 73 HA ASP 73 -14.522 -13.401 -20.170 556 HB2 ASP 73 2HB ASP 73 -12.731 -11.905 -19.209 557 HB3 ASP 73 3HB ASP 73 -12.345 -11.423 -20.858 558 H GLU 74 H GLU 74 -13.727 -14.994 -22.429 559 HA GLU 74 HA GLU 74 -14.162 -15.215 -24.651 560 HB2 GLU 74 2HB GLU 74 -15.788 -12.687 -24.363 561 HB3 GLU 74 3HB GLU 74 -15.974 -13.939 -25.583 562 HG2 GLU 74 2HG GLU 74 -16.526 -15.519 -23.692 563 HG3 GLU 74 3HG GLU 74 -16.623 -14.096 -22.657 564 H GLY 75 H GLY 75 -11.758 -14.000 -24.054 565 HA2 GLY 75 2HA GLY 75 -11.410 -12.330 -26.437 566 HA3 GLY 75 3HA GLY 75 -10.871 -11.681 -24.895 567 H MET 76 H MET 76 -9.907 -14.129 -23.795 568 HA MET 76 HA MET 76 -7.270 -14.107 -24.598 569 HB2 MET 76 2HB MET 76 -7.855 -15.104 -22.508 570 HB3 MET 76 3HB MET 76 -8.887 -16.292 -23.291 571 HG2 MET 76 2HG MET 76 -6.800 -17.282 -22.538 572 HG3 MET 76 3HG MET 76 -6.949 -17.350 -24.292 573 HE1 MET 76 3HE MET 76 -3.630 -17.438 -22.793 574 HE2 MET 76 1HE MET 76 -4.681 -18.147 -24.020 575 HE3 MET 76 2HE MET 76 -3.369 -17.071 -24.499 576 H MET 77 H MET 77 -9.966 -15.827 -25.977 577 HA MET 77 HA MET 77 -8.593 -17.778 -27.443 578 HB2 MET 77 2HB MET 77 -10.604 -17.786 -28.913 579 HB3 MET 77 3HB MET 77 -10.985 -17.901 -27.200 580 HG2 MET 77 2HG MET 77 -11.414 -15.436 -27.223 581 HG3 MET 77 3HG MET 77 -11.248 -15.493 -28.976 582 HE1 MET 77 3HE MET 77 -13.019 -16.982 -30.572 583 HE2 MET 77 1HE MET 77 -14.603 -16.303 -30.198 584 HE3 MET 77 2HE MET 77 -13.185 -15.255 -30.252 585 H GLU 78 H GLU 78 -9.385 -14.421 -28.214 586 HA GLU 78 HA GLU 78 -8.097 -14.639 -30.815 587 HB2 GLU 78 2HB GLU 78 -9.810 -12.627 -29.450 588 HB3 GLU 78 3HB GLU 78 -8.688 -12.036 -30.666 589 HG2 GLU 78 2HG GLU 78 -9.665 -13.746 -32.234 590 HG3 GLU 78 3HG GLU 78 -10.916 -14.017 -31.022 591 H GLU 79 H GLU 79 -7.357 -13.663 -27.611 592 HA GLU 79 HA GLU 79 -4.987 -12.178 -28.500 593 HB2 GLU 79 2HB GLU 79 -6.809 -11.784 -26.387 594 HB3 GLU 79 3HB GLU 79 -5.295 -12.272 -25.637 595 HG2 GLU 79 2HG GLU 79 -5.367 -9.885 -25.779 596 HG3 GLU 79 3HG GLU 79 -4.139 -10.489 -26.890 597 H GLY 80 H GLY 80 -5.445 -15.191 -28.439 598 HA2 GLY 80 2HA GLY 80 -2.813 -15.847 -27.460 599 HA3 GLY 80 3HA GLY 80 -4.109 -16.556 -26.509 600 H LYS 81 H LYS 81 -5.922 -17.022 -28.652 601 HA LYS 81 HA LYS 81 -4.575 -19.316 -29.886 602 HB2 LYS 81 2HB LYS 81 -6.920 -19.218 -28.528 603 HB3 LYS 81 3HB LYS 81 -7.501 -19.015 -30.175 604 HG2 LYS 81 2HG LYS 81 -6.358 -21.080 -30.827 605 HG3 LYS 81 3HG LYS 81 -5.801 -21.287 -29.164 606 HD2 LYS 81 2HD LYS 81 -7.665 -22.538 -28.965 607 HD3 LYS 81 3HD LYS 81 -8.457 -20.974 -28.763 608 HE2 LYS 81 2HE LYS 81 -9.770 -21.718 -30.436 609 HE3 LYS 81 3HE LYS 81 -8.441 -21.162 -31.453 610 HZ1 LYS 81 3HZ LYS 81 -7.565 -23.564 -31.018 611 HZ2 LYS 81 1HZ LYS 81 -8.726 -23.281 -32.216 612 HZ3 LYS 81 2HZ LYS 81 -9.194 -23.899 -30.713 613 H LEU 82 H LEU 82 -4.574 -16.401 -30.781 614 HA LEU 82 HA LEU 82 -5.393 -16.938 -33.557 615 HB2 LEU 82 2HB LEU 82 -6.895 -15.336 -32.320 616 HB3 LEU 82 3HB LEU 82 -5.519 -14.240 -32.229 617 HG LEU 82 HG LEU 82 -5.610 -14.700 -34.894 618 HD11 LEU 82 1HD1 LEU 82 -7.527 -15.968 -35.104 619 HD12 LEU 82 2HD1 LEU 82 -8.136 -14.334 -35.367 620 HD13 LEU 82 3HD1 LEU 82 -8.360 -15.117 -33.803 621 HD21 LEU 82 3HD2 LEU 82 -7.404 -12.616 -33.725 622 HD22 LEU 82 1HD2 LEU 82 -6.278 -12.499 -35.077 623 HD23 LEU 82 2HD2 LEU 82 -5.667 -12.554 -33.423 624 H ASP 83 H ASP 83 -3.491 -14.615 -31.626 625 HA ASP 83 HA ASP 83 -1.380 -14.801 -33.675 626 HB2 ASP 83 2HB ASP 83 -1.609 -12.452 -31.830 627 HB3 ASP 83 3HB ASP 83 -0.897 -12.540 -33.439 628 H ALA 84 H ALA 84 0.483 -15.651 -33.038 629 HA ALA 84 HA ALA 84 0.942 -16.690 -30.500 630 HB1 ALA 84 1HB ALA 84 2.565 -16.247 -32.921 631 HB2 ALA 84 2HB ALA 84 3.459 -16.456 -31.415 632 HB3 ALA 84 3HB ALA 84 2.337 -17.705 -31.955 633 H SER 85 H SER 85 1.491 -13.498 -31.745 634 HA SER 85 HA SER 85 3.389 -12.624 -29.840 635 HB2 SER 85 2HB SER 85 1.382 -11.095 -31.509 636 HB3 SER 85 3HB SER 85 2.615 -10.324 -30.511 637 HG SER 85 HG SER 85 4.145 -10.972 -31.862 638 H CYS 86 H CYS 86 -0.143 -12.569 -29.913 639 HA CYS 86 HA CYS 86 -0.453 -11.083 -27.511 640 HB2 CYS 86 2HB CYS 86 -2.401 -12.978 -28.842 641 HB3 CYS 86 3HB CYS 86 -2.799 -11.777 -27.619 642 HG CYS 86 HG CYS 86 -3.724 -10.464 -29.716 643 H ALA 87 H ALA 87 -0.461 -14.544 -28.258 644 HA ALA 87 HA ALA 87 -1.127 -15.457 -25.679 645 HB1 ALA 87 1HB ALA 87 -0.971 -17.500 -26.582 646 HB2 ALA 87 2HB ALA 87 -0.754 -16.640 -28.107 647 HB3 ALA 87 3HB ALA 87 0.652 -17.207 -27.207 648 H VAL 88 H VAL 88 1.987 -14.781 -27.216 649 HA VAL 88 HA VAL 88 3.578 -15.732 -25.060 650 HB VAL 88 HB VAL 88 4.240 -13.819 -27.300 651 HG11 VAL 88 1HG1 VAL 88 6.636 -14.654 -26.615 652 HG12 VAL 88 2HG1 VAL 88 5.889 -13.277 -25.800 653 HG13 VAL 88 3HG1 VAL 88 5.872 -14.869 -25.040 654 HG21 VAL 88 3HG2 VAL 88 5.267 -16.612 -27.050 655 HG22 VAL 88 1HG2 VAL 88 3.641 -16.332 -27.674 656 HG23 VAL 88 2HG2 VAL 88 5.034 -15.626 -28.493 657 H ALA 89 H ALA 89 2.344 -12.547 -25.973 658 HA ALA 89 HA ALA 89 3.723 -11.037 -24.049 659 HB1 ALA 89 1HB ALA 89 2.795 -9.520 -25.398 660 HB2 ALA 89 2HB ALA 89 1.508 -10.621 -25.891 661 HB3 ALA 89 3HB ALA 89 1.351 -9.693 -24.400 662 H ILE 90 H ILE 90 0.527 -12.579 -23.943 663 HA ILE 90 HA ILE 90 -0.127 -11.677 -21.336 664 HB ILE 90 HB ILE 90 -1.183 -14.051 -22.875 665 HG12 ILE 90 2HG1 ILE 90 -2.451 -11.341 -22.457 666 HG13 ILE 90 3HG1 ILE 90 -1.488 -11.745 -23.874 667 HG21 ILE 90 1HG2 ILE 90 -1.929 -12.859 -20.244 668 HG22 ILE 90 2HG2 ILE 90 -3.181 -13.570 -21.261 669 HG23 ILE 90 3HG2 ILE 90 -1.820 -14.553 -20.721 670 HD11 ILE 90 3HD1 ILE 90 -3.534 -12.208 -24.705 671 HD12 ILE 90 1HD1 ILE 90 -3.202 -13.773 -23.963 672 HD13 ILE 90 2HD1 ILE 90 -4.213 -12.596 -23.124 673 H GLU 91 H GLU 91 1.156 -14.763 -22.553 674 HA GLU 91 HA GLU 91 1.275 -16.125 -20.126 675 HB2 GLU 91 2HB GLU 91 2.893 -16.330 -22.653 676 HB3 GLU 91 3HB GLU 91 3.229 -17.363 -21.271 677 HG2 GLU 91 2HG GLU 91 0.986 -18.264 -21.358 678 HG3 GLU 91 3HG GLU 91 0.580 -17.179 -22.686 679 H GLU 92 H GLU 92 3.522 -13.835 -21.573 680 HA GLU 92 HA GLU 92 5.597 -14.236 -19.658 681 HB2 GLU 92 2HB GLU 92 5.768 -13.211 -22.016 682 HB3 GLU 92 3HB GLU 92 5.210 -11.723 -21.265 683 HG2 GLU 92 2HG GLU 92 7.284 -11.260 -20.675 684 HG3 GLU 92 3HG GLU 92 7.312 -12.706 -19.668 685 H ALA 93 H ALA 93 3.037 -11.810 -20.044 686 HA ALA 93 HA ALA 93 3.705 -10.144 -17.919 687 HB1 ALA 93 1HB ALA 93 1.459 -10.519 -19.665 688 HB2 ALA 93 2HB ALA 93 0.905 -10.200 -18.020 689 HB3 ALA 93 3HB ALA 93 1.989 -9.063 -18.821 690 H ILE 94 H ILE 94 1.680 -13.055 -17.958 691 HA ILE 94 HA ILE 94 1.044 -12.901 -15.172 692 HB ILE 94 HB ILE 94 0.094 -15.135 -15.442 693 HG12 ILE 94 2HG1 ILE 94 1.314 -15.005 -18.208 694 HG13 ILE 94 3HG1 ILE 94 1.763 -16.115 -16.918 695 HG21 ILE 94 1HG2 ILE 94 -0.748 -13.763 -17.938 696 HG22 ILE 94 2HG2 ILE 94 -1.722 -14.448 -16.638 697 HG23 ILE 94 3HG2 ILE 94 -0.919 -12.894 -16.413 698 HD11 ILE 94 3HD1 ILE 94 0.422 -17.482 -18.120 699 HD12 ILE 94 1HD1 ILE 94 -0.805 -16.745 -17.091 700 HD13 ILE 94 2HD1 ILE 94 -0.566 -16.158 -18.737 701 H GLN 95 H GLN 95 3.488 -14.521 -17.099 702 HA GLN 95 HA GLN 95 4.437 -16.284 -15.114 703 HB2 GLN 95 2HB GLN 95 4.965 -16.516 -17.513 704 HB3 GLN 95 3HB GLN 95 5.945 -15.059 -17.430 705 HG2 GLN 95 2HG GLN 95 7.685 -16.129 -16.523 706 HG3 GLN 95 3HG GLN 95 6.664 -17.105 -15.467 707 HE21 GLN 95 2HE2 GLN 95 6.192 -19.681 -17.911 708 HE22 GLN 95 1HE2 GLN 95 5.329 -18.774 -16.721 709 H LEU 96 H LEU 96 5.048 -12.913 -15.778 710 HA LEU 96 HA LEU 96 7.279 -12.788 -13.926 711 HB2 LEU 96 2HB LEU 96 5.847 -10.629 -15.467 712 HB3 LEU 96 3HB LEU 96 7.285 -10.382 -14.477 713 HG LEU 96 HG LEU 96 7.446 -12.377 -16.674 714 HD11 LEU 96 1HD1 LEU 96 7.832 -10.731 -18.355 715 HD12 LEU 96 2HD1 LEU 96 7.655 -9.418 -17.192 716 HD13 LEU 96 3HD1 LEU 96 6.258 -10.400 -17.632 717 HD21 LEU 96 3HD2 LEU 96 9.236 -10.581 -15.136 718 HD22 LEU 96 1HD2 LEU 96 9.686 -10.955 -16.801 719 HD23 LEU 96 2HD2 LEU 96 9.464 -12.259 -15.634 720 H TYR 97 H TYR 97 3.926 -11.674 -14.115 721 HA TYR 97 HA TYR 97 3.859 -10.201 -11.739 722 HB2 TYR 97 2HB TYR 97 2.060 -10.037 -13.344 723 HB3 TYR 97 3HB TYR 97 1.668 -11.741 -13.143 724 HD1 TYR 97 HD1 TYR 97 1.850 -8.548 -11.225 725 HD2 TYR 97 HD2 TYR 97 0.024 -12.370 -11.624 726 HE1 TYR 97 HE1 TYR 97 0.253 -7.963 -9.449 727 HE2 TYR 97 HE2 TYR 97 -1.579 -11.796 -9.849 728 HH TYR 97 HH TYR 97 -2.541 -9.766 -8.823 729 H GLU 98 H GLU 98 3.288 -13.640 -12.342 730 HA GLU 98 HA GLU 98 2.756 -14.152 -9.539 731 HB2 GLU 98 2HB GLU 98 3.002 -16.026 -11.898 732 HB3 GLU 98 3HB GLU 98 2.550 -16.518 -10.271 733 HG2 GLU 98 2HG GLU 98 0.555 -15.139 -10.386 734 HG3 GLU 98 3HG GLU 98 1.016 -14.584 -11.994 735 H GLU 99 H GLU 99 5.478 -13.457 -11.091 736 HA GLU 99 HA GLU 99 7.098 -15.456 -9.661 737 HB2 GLU 99 2HB GLU 99 7.561 -15.533 -12.008 738 HB3 GLU 99 3HB GLU 99 7.710 -13.783 -12.096 739 HG2 GLU 99 2HG GLU 99 9.772 -13.791 -10.978 740 HG3 GLU 99 3HG GLU 99 9.558 -15.451 -10.426 741 H GLN 100 H GLN 100 6.291 -12.126 -9.894 742 HA GLN 100 HA GLN 100 8.529 -11.401 -8.129 743 HB2 GLN 100 2HB GLN 100 6.843 -9.806 -10.037 744 HB3 GLN 100 3HB GLN 100 7.733 -9.014 -8.743 745 HG2 GLN 100 2HG GLN 100 9.236 -10.898 -10.458 746 HG3 GLN 100 3HG GLN 100 8.735 -9.368 -11.177 747 HE21 GLN 100 2HE2 GLN 100 11.397 -7.673 -9.813 748 HE22 GLN 100 1HE2 GLN 100 10.246 -7.886 -11.083 749 H LEU 101 H LEU 101 5.055 -11.499 -8.422 750 HA LEU 101 HA LEU 101 4.540 -9.964 -6.054 751 HB2 LEU 101 2HB LEU 101 2.959 -10.171 -7.965 752 HB3 LEU 101 3HB LEU 101 2.704 -11.856 -7.515 753 HG LEU 101 HG LEU 101 0.937 -10.169 -6.799 754 HD11 LEU 101 1HD1 LEU 101 1.763 -11.420 -4.304 755 HD12 LEU 101 2HD1 LEU 101 1.815 -12.519 -5.682 756 HD13 LEU 101 3HD1 LEU 101 0.317 -11.679 -5.280 757 HD21 LEU 101 3HD2 LEU 101 2.767 -9.565 -4.515 758 HD22 LEU 101 1HD2 LEU 101 1.328 -8.702 -5.060 759 HD23 LEU 101 2HD2 LEU 101 2.828 -8.584 -5.980 760 H LYS 102 H LYS 102 4.991 -13.340 -6.827 761 HA LYS 102 HA LYS 102 4.002 -14.342 -4.336 762 HB2 LYS 102 2HB LYS 102 4.457 -15.504 -6.711 763 HB3 LYS 102 3HB LYS 102 5.962 -15.929 -5.905 764 HG2 LYS 102 2HG LYS 102 4.617 -17.739 -5.437 765 HG3 LYS 102 3HG LYS 102 4.425 -16.746 -3.991 766 HD2 LYS 102 2HD LYS 102 2.236 -17.308 -4.482 767 HD3 LYS 102 3HD LYS 102 2.398 -15.740 -5.278 768 HE2 LYS 102 2HE LYS 102 1.313 -17.184 -6.817 769 HE3 LYS 102 3HE LYS 102 2.971 -16.988 -7.384 770 HZ1 LYS 102 3HZ LYS 102 2.403 -19.246 -5.618 771 HZ2 LYS 102 1HZ LYS 102 3.486 -19.132 -6.913 772 HZ3 LYS 102 2HZ LYS 102 1.834 -19.340 -7.209 773 H ALA 103 H ALA 103 7.165 -13.462 -5.611 774 HA ALA 103 HA ALA 103 8.786 -14.520 -3.607 775 HB1 ALA 103 1HB ALA 103 10.371 -12.656 -4.248 776 HB2 ALA 103 2HB ALA 103 9.831 -13.705 -5.560 777 HB3 ALA 103 3HB ALA 103 9.121 -12.103 -5.363 778 H GLN 104 H GLN 104 6.822 -11.626 -3.654 779 HA GLN 104 HA GLN 104 7.892 -10.788 -1.062 780 HB2 GLN 104 2HB GLN 104 5.825 -9.335 -2.704 781 HB3 GLN 104 3HB GLN 104 6.847 -8.687 -1.428 782 HG2 GLN 104 2HG GLN 104 8.800 -8.900 -2.822 783 HG3 GLN 104 3HG GLN 104 7.850 -9.682 -4.084 784 HE21 GLN 104 2HE2 GLN 104 7.355 -6.645 -5.632 785 HE22 GLN 104 1HE2 GLN 104 7.784 -8.316 -5.725 786 H ALA 105 H ALA 105 6.029 -13.119 -1.633 787 HA ALA 105 HA ALA 105 3.887 -12.323 0.231 788 HB1 ALA 105 1HB ALA 105 2.386 -13.082 -1.213 789 HB2 ALA 105 2HB ALA 105 3.676 -13.465 -2.353 790 HB3 ALA 105 3HB ALA 105 3.145 -14.674 -1.184 791 H GLY 106 H GLY 106 6.622 -13.463 0.706 792 HA2 GLY 106 2HA GLY 106 6.987 -14.730 2.765 793 HA3 GLY 106 3HA GLY 106 5.738 -15.840 2.220 794 H GLY 107 H GLY 107 6.752 -15.832 -0.550 795 HA2 GLY 107 2HA GLY 107 8.643 -16.613 -1.755 796 HA3 GLY 107 3HA GLY 107 9.374 -17.107 -0.235 797 H THR 108 H THR 108 6.148 -17.813 -1.532 798 HA THR 108 HA THR 108 5.110 -19.773 -2.052 799 HB THR 108 HB THR 108 7.716 -21.244 -2.153 800 HG1 THR 108 HG1 THR 108 6.788 -19.463 -4.178 801 HG21 THR 108 3HG2 THR 108 6.661 -22.379 -4.015 802 HG22 THR 108 1HG2 THR 108 5.292 -21.269 -3.955 803 HG23 THR 108 2HG2 THR 108 5.574 -22.395 -2.626 804 H ASN 109 H ASN 109 4.738 -19.375 0.414 805 HA ASN 109 HA ASN 109 4.410 -20.251 2.489 806 HB2 ASN 109 2HB ASN 109 4.915 -22.889 1.095 807 HB3 ASN 109 3HB ASN 109 4.080 -22.662 2.629 808 HD21 ASN 109 2HD2 ASN 109 2.193 -22.022 -0.905 809 HD22 ASN 109 1HD2 ASN 109 3.899 -22.281 -0.820 810 H GLU 110 H GLU 110 7.109 -19.474 1.734 811 HA GLU 110 HA GLU 110 8.500 -20.423 3.994 812 HB2 GLU 110 2HB GLU 110 10.222 -21.769 3.009 813 HB3 GLU 110 3HB GLU 110 8.671 -22.450 2.540 814 HG2 GLU 110 2HG GLU 110 8.849 -21.484 0.348 815 HG3 GLU 110 3HG GLU 110 10.323 -20.631 0.805
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