NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651453 | 6yel | 50114 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 16.922 28.060 5.375 2 H2 GLY 1 2H GLY 1 15.479 28.842 5.546 3 H3 GLY 1 3H GLY 1 16.745 29.602 4.814 4 HA2 GLY 1 1HA GLY 1 16.709 28.042 2.996 5 HA3 GLY 1 2HA GLY 1 15.339 27.231 3.783 6 H SER 2 H SER 2 14.533 27.861 1.413 7 HA SER 2 HA SER 2 13.867 30.571 0.900 8 HB2 SER 2 1HB SER 2 12.285 28.127 0.028 9 HB3 SER 2 2HB SER 2 12.450 29.679 -0.826 10 HG SER 2 HG SER 2 13.852 28.193 -1.750 11 HA PRO 3 HA PRO 3 10.632 31.057 3.849 12 HB2 PRO 3 1HB PRO 3 9.106 33.059 2.784 13 HB3 PRO 3 2HB PRO 3 10.756 33.348 3.426 14 HG2 PRO 3 1HG PRO 3 9.906 32.861 0.574 15 HG3 PRO 3 2HG PRO 3 10.907 34.194 1.238 16 HD2 PRO 3 1HD PRO 3 12.048 32.031 0.112 17 HD3 PRO 3 2HD PRO 3 12.759 32.782 1.585 18 H GLU 4 H GLU 4 9.966 30.188 0.553 19 HA GLU 4 HA GLU 4 7.158 29.804 0.677 20 HB2 GLU 4 1HB GLU 4 9.402 28.574 -0.914 21 HB3 GLU 4 2HB GLU 4 7.741 27.995 -1.073 22 HG2 GLU 4 1HG GLU 4 7.023 30.329 -1.573 23 HG3 GLU 4 2HG GLU 4 8.733 30.803 -1.591 24 H PHE 5 H PHE 5 9.871 27.769 1.812 25 HA PHE 5 HA PHE 5 8.303 25.410 2.211 26 HB2 PHE 5 1HB PHE 5 10.745 26.424 3.718 27 HB3 PHE 5 2HB PHE 5 10.061 24.800 3.867 28 HD1 PHE 5 HD1 PHE 5 9.663 23.604 1.447 29 HD2 PHE 5 HD2 PHE 5 12.602 26.617 2.331 30 HE1 PHE 5 HE1 PHE 5 11.015 22.846 -0.500 31 HE2 PHE 5 HE2 PHE 5 13.967 25.863 0.379 32 HZ PHE 5 HZ PHE 5 13.168 23.979 -1.042 33 H ASN 6 H ASN 6 8.720 28.382 4.093 34 HA ASN 6 HA ASN 6 7.264 27.277 6.381 35 HB2 ASN 6 1HB ASN 6 7.998 30.148 5.688 36 HB3 ASN 6 2HB ASN 6 7.356 29.593 7.240 37 HD21 ASN 6 1HD2 ASN 6 10.412 27.961 8.178 38 HD22 ASN 6 2HD2 ASN 6 8.678 27.773 8.266 39 H ARG 7 H ARG 7 6.572 29.375 3.555 40 HA ARG 7 HA ARG 7 3.914 30.117 4.372 41 HB2 ARG 7 1HB ARG 7 5.147 29.813 1.607 42 HB3 ARG 7 2HB ARG 7 3.548 30.494 1.896 43 HG2 ARG 7 1HG ARG 7 6.113 31.667 3.027 44 HG3 ARG 7 2HG ARG 7 5.337 32.199 1.529 45 HD2 ARG 7 1HD ARG 7 3.269 32.718 2.826 46 HD3 ARG 7 2HD ARG 7 4.122 32.295 4.319 47 HE ARG 7 HE ARG 7 4.502 34.693 2.648 48 HH11 ARG 7 1HH1 ARG 7 5.740 32.820 5.379 49 HH12 ARG 7 2HH1 ARG 7 6.627 34.177 6.021 50 HH21 ARG 7 1HH2 ARG 7 5.675 36.364 3.518 51 HH22 ARG 7 2HH2 ARG 7 6.594 36.141 4.981 52 H TYR 8 H TYR 8 5.159 27.307 2.594 53 HA TYR 8 HA TYR 8 2.394 26.299 2.241 54 HB2 TYR 8 1HB TYR 8 5.045 25.133 1.346 55 HB3 TYR 8 2HB TYR 8 3.442 24.622 0.828 56 HD1 TYR 8 HD1 TYR 8 6.013 25.765 -0.740 57 HD2 TYR 8 HD2 TYR 8 2.194 27.419 0.377 58 HE1 TYR 8 HE1 TYR 8 6.156 27.395 -2.621 59 HE2 TYR 8 HE2 TYR 8 2.373 29.061 -1.495 60 HH TYR 8 HH TYR 8 5.260 29.228 -3.612 61 H SER 9 H SER 9 4.490 26.270 4.760 62 HA SER 9 HA SER 9 5.035 23.586 5.318 63 HB2 SER 9 1HB SER 9 5.206 24.256 7.678 64 HB3 SER 9 2HB SER 9 5.986 25.436 6.610 65 HG SER 9 HG SER 9 4.427 26.873 6.994 66 H LYS 10 H LYS 10 2.002 25.344 5.970 67 HA LYS 10 HA LYS 10 0.963 23.331 7.694 68 HB2 LYS 10 1HB LYS 10 -1.077 24.449 7.652 69 HB3 LYS 10 2HB LYS 10 0.149 25.699 7.510 70 HG2 LYS 10 1HG LYS 10 -1.586 24.651 5.237 71 HG3 LYS 10 2HG LYS 10 -1.860 26.139 6.135 72 HD2 LYS 10 1HD LYS 10 0.348 27.007 5.285 73 HD3 LYS 10 2HD LYS 10 0.477 25.548 4.280 74 HE2 LYS 10 1HE LYS 10 -1.833 26.163 3.345 75 HE3 LYS 10 2HE LYS 10 -1.608 27.743 4.119 76 HZ1 LYS 10 1HZ LYS 10 0.054 26.523 1.984 77 HZ2 LYS 10 2HZ LYS 10 0.528 27.872 2.823 78 HZ3 LYS 10 3HZ LYS 10 -0.841 27.903 1.894 79 H GLU 11 H GLU 11 0.605 23.690 4.125 80 HA GLU 11 HA GLU 11 -1.149 21.374 4.010 81 HB2 GLU 11 1HB GLU 11 0.443 22.755 1.818 82 HB3 GLU 11 2HB GLU 11 -0.775 21.498 1.573 83 HG2 GLU 11 1HG GLU 11 -1.205 24.282 2.652 84 HG3 GLU 11 2HG GLU 11 -1.772 23.636 1.109 85 H HIS 12 H HIS 12 2.313 22.076 3.531 86 HA HIS 12 HA HIS 12 3.066 19.512 2.603 87 HB2 HIS 12 1HB HIS 12 4.591 21.415 2.559 88 HB3 HIS 12 2HB HIS 12 4.586 21.498 4.324 89 HD1 HIS 12 HD1 HIS 12 5.783 19.138 1.527 90 HD2 HIS 12 HD2 HIS 12 6.410 19.938 5.576 91 HE1 HIS 12 HE1 HIS 12 7.731 17.726 2.262 92 H MET 13 H MET 13 2.909 20.727 6.040 93 HA MET 13 HA MET 13 3.739 18.157 7.024 94 HB2 MET 13 1HB MET 13 3.266 18.932 9.208 95 HB3 MET 13 2HB MET 13 3.952 20.281 8.304 96 HG2 MET 13 1HG MET 13 1.672 21.229 8.031 97 HG3 MET 13 2HG MET 13 1.011 19.876 8.957 98 HE1 MET 13 1HE MET 13 3.600 23.318 10.712 99 HE2 MET 13 2HE MET 13 4.259 22.222 9.476 100 HE3 MET 13 3HE MET 13 2.906 23.305 9.074 101 H LYS 14 H LYS 14 0.474 19.521 6.357 102 HA LYS 14 HA LYS 14 -0.908 17.353 7.670 103 HB2 LYS 14 1HB LYS 14 -1.707 19.243 5.442 104 HB3 LYS 14 2HB LYS 14 -2.769 17.944 6.001 105 HG2 LYS 14 1HG LYS 14 -2.618 18.870 8.325 106 HG3 LYS 14 2HG LYS 14 -1.737 20.257 7.678 107 HD2 LYS 14 1HD LYS 14 -4.528 19.411 6.797 108 HD3 LYS 14 2HD LYS 14 -4.191 20.665 8.001 109 HE2 LYS 14 1HE LYS 14 -4.013 22.183 6.364 110 HE3 LYS 14 2HE LYS 14 -2.623 21.304 5.710 111 HZ1 LYS 14 1HZ LYS 14 -5.464 20.870 4.993 112 HZ2 LYS 14 2HZ LYS 14 -4.223 19.924 4.459 113 HZ3 LYS 14 3HZ LYS 14 -4.285 21.512 4.026 114 H LYS 15 H LYS 15 0.181 17.826 4.276 115 HA LYS 15 HA LYS 15 -0.827 15.274 3.384 116 HB2 LYS 15 1HB LYS 15 1.413 17.069 2.368 117 HB3 LYS 15 2HB LYS 15 0.937 15.576 1.562 118 HG2 LYS 15 1HG LYS 15 -0.970 17.899 2.059 119 HG3 LYS 15 2HG LYS 15 -0.039 17.701 0.568 120 HD2 LYS 15 1HD LYS 15 -1.916 15.545 1.598 121 HD3 LYS 15 2HD LYS 15 -2.470 16.858 0.552 122 HE2 LYS 15 1HE LYS 15 -1.191 16.127 -1.272 123 HE3 LYS 15 2HE LYS 15 -0.100 15.164 -0.253 124 HZ1 LYS 15 1HZ LYS 15 -2.965 14.540 -0.579 125 HZ2 LYS 15 2HZ LYS 15 -1.783 13.603 0.126 126 HZ3 LYS 15 3HZ LYS 15 -1.772 13.862 -1.503 127 H MET 16 H MET 16 2.409 16.364 4.512 128 HA MET 16 HA MET 16 3.684 13.911 4.161 129 HB2 MET 16 1HB MET 16 4.842 16.018 4.699 130 HB3 MET 16 2HB MET 16 4.214 15.928 6.351 131 HG2 MET 16 1HG MET 16 5.430 13.822 6.705 132 HG3 MET 16 2HG MET 16 6.043 13.891 5.043 133 HE1 MET 16 1HE MET 16 7.850 13.632 7.760 134 HE2 MET 16 2HE MET 16 8.508 13.582 6.108 135 HE3 MET 16 3HE MET 16 9.200 14.699 7.308 136 H MET 17 H MET 17 1.982 15.064 7.137 137 HA MET 17 HA MET 17 2.613 12.659 8.558 138 HB2 MET 17 1HB MET 17 1.857 14.797 9.606 139 HB3 MET 17 2HB MET 17 0.234 14.508 8.964 140 HG2 MET 17 1HG MET 17 0.306 13.818 11.284 141 HG3 MET 17 2HG MET 17 0.138 12.382 10.258 142 HE1 MET 17 1HE MET 17 1.048 10.444 11.603 143 HE2 MET 17 2HE MET 17 2.375 10.590 12.779 144 HE3 MET 17 3HE MET 17 0.884 11.534 13.001 145 H LYS 18 H LYS 18 -0.347 13.612 6.732 146 HA LYS 18 HA LYS 18 -1.781 11.214 7.354 147 HB2 LYS 18 1HB LYS 18 -2.772 13.336 6.492 148 HB3 LYS 18 2HB LYS 18 -2.016 13.043 4.928 149 HG2 LYS 18 1HG LYS 18 -3.697 10.802 5.903 150 HG3 LYS 18 2HG LYS 18 -4.587 12.308 5.648 151 HD2 LYS 18 1HD LYS 18 -2.790 11.036 3.541 152 HD3 LYS 18 2HD LYS 18 -4.529 10.744 3.656 153 HE2 LYS 18 1HE LYS 18 -4.969 13.167 3.323 154 HE3 LYS 18 2HE LYS 18 -3.221 13.461 3.186 155 HZ1 LYS 18 1HZ LYS 18 -4.773 11.701 1.387 156 HZ2 LYS 18 2HZ LYS 18 -3.168 12.057 1.245 157 HZ3 LYS 18 3HZ LYS 18 -4.323 13.240 1.019 158 H ASP 19 H ASP 19 0.143 12.113 4.455 159 HA ASP 19 HA ASP 19 -0.468 9.568 3.225 160 HB2 ASP 19 1HB ASP 19 1.462 11.761 2.468 161 HB3 ASP 19 2HB ASP 19 1.128 10.338 1.474 162 H LEU 20 H LEU 20 2.247 10.681 5.325 163 HA LEU 20 HA LEU 20 3.786 8.301 4.572 164 HB2 LEU 20 1HB LEU 20 4.106 10.320 6.781 165 HB3 LEU 20 2HB LEU 20 4.957 8.788 6.837 166 HG LEU 20 HG LEU 20 5.238 10.874 4.674 167 HD11 LEU 20 1HD1 LEU 20 7.147 9.870 6.814 168 HD12 LEU 20 2HD1 LEU 20 6.306 11.439 6.814 169 HD13 LEU 20 3HD1 LEU 20 7.520 11.082 5.568 170 HD21 LEU 20 1HD2 LEU 20 5.521 8.741 3.569 171 HD22 LEU 20 2HD2 LEU 20 6.443 8.081 4.945 172 HD23 LEU 20 3HD2 LEU 20 7.156 9.339 3.911 173 H GLU 21 H GLU 21 1.368 9.068 7.042 174 HA GLU 21 HA GLU 21 1.822 6.675 8.579 175 HB2 GLU 21 1HB GLU 21 0.321 8.748 9.089 176 HB3 GLU 21 2HB GLU 21 -0.894 7.938 8.095 177 HG2 GLU 21 1HG GLU 21 -0.687 5.955 9.630 178 HG3 GLU 21 2HG GLU 21 0.387 6.928 10.647 179 H GLY 22 H GLY 22 -0.068 7.568 5.697 180 HA2 GLY 22 1HA GLY 22 -1.206 4.995 5.205 181 HA3 GLY 22 2HA GLY 22 -0.946 6.272 4.004 182 H LEU 23 H LEU 23 1.940 6.442 4.215 183 HA LEU 23 HA LEU 23 2.666 4.322 2.442 184 HB2 LEU 23 1HB LEU 23 3.716 6.690 2.950 185 HB3 LEU 23 2HB LEU 23 4.734 5.786 4.063 186 HG LEU 23 HG LEU 23 4.458 5.189 1.092 187 HD11 LEU 23 1HD1 LEU 23 5.398 7.425 1.515 188 HD12 LEU 23 2HD1 LEU 23 6.589 6.314 0.813 189 HD13 LEU 23 3HD1 LEU 23 6.652 6.694 2.549 190 HD21 LEU 23 1HD2 LEU 23 6.417 4.185 3.200 191 HD22 LEU 23 2HD2 LEU 23 6.679 4.015 1.448 192 HD23 LEU 23 3HD2 LEU 23 5.293 3.226 2.213 193 H HIS 24 H HIS 24 3.210 4.834 5.963 194 HA HIS 24 HA HIS 24 4.736 2.429 6.316 195 HB2 HIS 24 1HB HIS 24 4.521 4.369 7.939 196 HB3 HIS 24 2HB HIS 24 2.934 3.726 8.382 197 HD1 HIS 24 HD1 HIS 24 6.185 1.727 7.792 198 HD2 HIS 24 HD2 HIS 24 3.448 2.659 10.823 199 HE1 HIS 24 HE1 HIS 24 6.835 0.382 9.834 200 H ARG 25 H ARG 25 1.212 3.163 6.385 201 HA ARG 25 HA ARG 25 0.499 0.429 7.030 202 HB2 ARG 25 1HB ARG 25 -1.075 2.647 5.704 203 HB3 ARG 25 2HB ARG 25 -1.722 1.031 6.006 204 HG2 ARG 25 1HG ARG 25 -1.122 1.351 8.442 205 HG3 ARG 25 2HG ARG 25 -0.819 3.053 8.049 206 HD2 ARG 25 1HD ARG 25 -3.154 3.109 7.043 207 HD3 ARG 25 2HD ARG 25 -3.407 1.506 7.757 208 HE ARG 25 HE ARG 25 -3.391 2.452 9.913 209 HH11 ARG 25 1HH1 ARG 25 -2.805 4.960 7.493 210 HH12 ARG 25 2HH1 ARG 25 -3.064 6.253 8.654 211 HH21 ARG 25 1HH2 ARG 25 -3.716 4.179 11.306 212 HH22 ARG 25 2HH2 ARG 25 -3.553 5.825 10.722 213 H ALA 26 H ALA 26 1.597 1.919 4.045 214 HA ALA 26 HA ALA 26 0.522 -0.205 2.371 215 HB1 ALA 26 1HB ALA 26 1.124 2.067 1.492 216 HB2 ALA 26 2HB ALA 26 2.840 1.675 1.762 217 HB3 ALA 26 3HB ALA 26 1.882 0.728 0.603 218 H GLU 27 H GLU 27 3.556 0.375 4.215 219 HA GLU 27 HA GLU 27 4.932 -1.966 3.194 220 HB2 GLU 27 1HB GLU 27 5.147 -0.593 5.894 221 HB3 GLU 27 2HB GLU 27 6.274 -1.804 5.279 222 HG2 GLU 27 1HG GLU 27 6.902 -0.313 3.436 223 HG3 GLU 27 2HG GLU 27 5.742 0.900 4.002 224 H GLN 28 H GLN 28 2.854 -1.239 5.938 225 HA GLN 28 HA GLN 28 2.671 -3.815 7.095 226 HB2 GLN 28 1HB GLN 28 1.788 -1.611 8.035 227 HB3 GLN 28 2HB GLN 28 0.439 -1.771 6.909 228 HG2 GLN 28 1HG GLN 28 -0.026 -4.020 7.967 229 HG3 GLN 28 2HG GLN 28 1.127 -3.568 9.227 230 HE21 GLN 28 1HE2 GLN 28 -2.605 -2.523 9.689 231 HE22 GLN 28 2HE2 GLN 28 -1.982 -3.895 8.783 232 H SER 29 H SER 29 0.904 -2.275 4.337 233 HA SER 29 HA SER 29 -0.872 -4.475 4.008 234 HB2 SER 29 1HB SER 29 -1.584 -3.528 2.015 235 HB3 SER 29 2HB SER 29 -1.074 -2.130 2.977 236 HG SER 29 HG SER 29 0.972 -2.291 1.808 237 H LEU 30 H LEU 30 2.446 -3.945 2.676 238 HA LEU 30 HA LEU 30 2.508 -6.178 0.839 239 HB2 LEU 30 1HB LEU 30 4.762 -5.708 2.811 240 HB3 LEU 30 2HB LEU 30 4.858 -6.250 1.167 241 HG LEU 30 HG LEU 30 4.273 -3.424 2.000 242 HD11 LEU 30 1HD1 LEU 30 6.439 -4.138 2.862 243 HD12 LEU 30 2HD1 LEU 30 6.659 -2.984 1.533 244 HD13 LEU 30 3HD1 LEU 30 6.910 -4.723 1.247 245 HD21 LEU 30 1HD2 LEU 30 4.444 -2.717 -0.125 246 HD22 LEU 30 2HD2 LEU 30 3.793 -4.336 -0.426 247 HD23 LEU 30 3HD2 LEU 30 5.528 -4.036 -0.610 248 H HIS 31 H HIS 31 3.253 -5.862 4.356 249 HA HIS 31 HA HIS 31 3.562 -8.717 4.565 250 HB2 HIS 31 1HB HIS 31 3.383 -6.630 6.713 251 HB3 HIS 31 2HB HIS 31 3.876 -8.318 6.945 252 HD1 HIS 31 HD1 HIS 31 5.583 -8.503 4.196 253 HD2 HIS 31 HD2 HIS 31 5.921 -5.524 7.152 254 HE1 HIS 31 HE1 HIS 31 7.909 -7.483 3.977 255 H ASP 32 H ASP 32 0.785 -6.663 5.308 256 HA ASP 32 HA ASP 32 -0.685 -8.756 6.633 257 HB2 ASP 32 1HB ASP 32 -1.534 -6.210 5.201 258 HB3 ASP 32 2HB ASP 32 -2.691 -7.335 5.924 259 H LEU 33 H LEU 33 -0.284 -7.688 3.213 260 HA LEU 33 HA LEU 33 -2.338 -9.385 2.172 261 HB2 LEU 33 1HB LEU 33 0.141 -8.129 1.038 262 HB3 LEU 33 2HB LEU 33 -0.612 -9.421 0.145 263 HG LEU 33 HG LEU 33 -2.369 -8.174 -0.551 264 HD11 LEU 33 1HD1 LEU 33 -3.286 -6.132 0.462 265 HD12 LEU 33 2HD1 LEU 33 -2.068 -6.187 1.741 266 HD13 LEU 33 3HD1 LEU 33 -3.298 -7.448 1.635 267 HD21 LEU 33 1HD2 LEU 33 -0.270 -6.027 -0.018 268 HD22 LEU 33 2HD2 LEU 33 -1.483 -6.026 -1.310 269 HD23 LEU 33 3HD2 LEU 33 -0.186 -7.230 -1.320 270 H GLN 34 H GLN 34 1.258 -9.986 2.556 271 HA GLN 34 HA GLN 34 0.821 -12.716 1.704 272 HB2 GLN 34 1HB GLN 34 2.993 -13.226 3.005 273 HB3 GLN 34 2HB GLN 34 3.028 -12.340 1.507 274 HG2 GLN 34 1HG GLN 34 2.822 -10.594 3.847 275 HG3 GLN 34 2HG GLN 34 4.222 -11.644 3.922 276 HE21 GLN 34 1HE2 GLN 34 4.399 -9.586 0.414 277 HE22 GLN 34 2HE2 GLN 34 3.148 -10.770 0.708 278 H GLU 35 H GLU 35 0.607 -11.234 4.962 279 HA GLU 35 HA GLU 35 0.471 -13.758 6.337 280 HB2 GLU 35 1HB GLU 35 0.787 -11.327 7.220 281 HB3 GLU 35 2HB GLU 35 -0.968 -11.281 7.302 282 HG2 GLU 35 1HG GLU 35 0.486 -13.612 8.541 283 HG3 GLU 35 2HG GLU 35 0.630 -12.040 9.331 284 H ARG 36 H ARG 36 -2.019 -11.682 4.812 285 HA ARG 36 HA ARG 36 -4.257 -13.263 5.702 286 HB2 ARG 36 1HB ARG 36 -3.884 -11.475 3.280 287 HB3 ARG 36 2HB ARG 36 -5.426 -12.208 3.727 288 HG2 ARG 36 1HG ARG 36 -4.160 -10.719 5.931 289 HG3 ARG 36 2HG ARG 36 -4.509 -9.730 4.503 290 HD2 ARG 36 1HD ARG 36 -6.843 -10.739 4.540 291 HD3 ARG 36 2HD ARG 36 -6.439 -11.346 6.165 292 HE ARG 36 HE ARG 36 -5.764 -8.595 6.038 293 HH11 ARG 36 1HH1 ARG 36 -8.689 -10.564 6.016 294 HH12 ARG 36 2HH1 ARG 36 -9.668 -9.282 6.674 295 HH21 ARG 36 1HH2 ARG 36 -7.063 -7.013 6.870 296 HH22 ARG 36 2HH2 ARG 36 -8.757 -7.305 7.156 297 H LEU 37 H LEU 37 -2.127 -13.434 2.808 298 HA LEU 37 HA LEU 37 -3.599 -15.588 1.564 299 HB2 LEU 37 1HB LEU 37 -0.645 -14.883 1.504 300 HB3 LEU 37 2HB LEU 37 -1.370 -16.156 0.539 301 HG LEU 37 HG LEU 37 -1.986 -13.204 0.278 302 HD11 LEU 37 1HD1 LEU 37 0.249 -13.734 -0.453 303 HD12 LEU 37 2HD1 LEU 37 -0.769 -13.540 -1.883 304 HD13 LEU 37 3HD1 LEU 37 -0.328 -15.169 -1.338 305 HD21 LEU 37 1HD2 LEU 37 -3.945 -14.415 -0.367 306 HD22 LEU 37 2HD2 LEU 37 -2.983 -15.647 -1.213 307 HD23 LEU 37 3HD2 LEU 37 -3.084 -13.996 -1.857 308 H HIS 38 H HIS 38 -0.943 -15.414 3.939 309 HA HIS 38 HA HIS 38 -0.511 -18.198 4.151 310 HB2 HIS 38 1HB HIS 38 0.811 -16.248 5.219 311 HB3 HIS 38 2HB HIS 38 -0.354 -16.365 6.542 312 HD1 HIS 38 HD1 HIS 38 2.418 -18.308 4.847 313 HD2 HIS 38 HD2 HIS 38 -0.038 -18.575 8.204 314 HE1 HIS 38 HE1 HIS 38 3.341 -20.174 6.285 315 H LYS 39 H LYS 39 -2.931 -16.081 5.806 316 HA LYS 39 HA LYS 39 -4.007 -18.312 7.324 317 HB2 LYS 39 1HB LYS 39 -5.253 -15.641 6.628 318 HB3 LYS 39 2HB LYS 39 -5.901 -16.815 7.786 319 HG2 LYS 39 1HG LYS 39 -3.276 -16.513 8.592 320 HG3 LYS 39 2HG LYS 39 -3.737 -14.877 8.090 321 HD2 LYS 39 1HD LYS 39 -5.758 -15.040 9.540 322 HD3 LYS 39 2HD LYS 39 -5.198 -16.637 10.090 323 HE2 LYS 39 1HE LYS 39 -3.730 -13.994 10.397 324 HE3 LYS 39 2HE LYS 39 -4.545 -14.894 11.693 325 HZ1 LYS 39 1HZ LYS 39 -2.057 -15.189 11.464 326 HZ2 LYS 39 2HZ LYS 39 -2.344 -16.063 10.103 327 HZ3 LYS 39 3HZ LYS 39 -2.928 -16.602 11.542 328 H ALA 40 H ALA 40 -4.722 -16.954 4.130 329 HA ALA 40 HA ALA 40 -7.170 -18.397 3.689 330 HB1 ALA 40 1HB ALA 40 -5.055 -17.592 1.629 331 HB2 ALA 40 2HB ALA 40 -6.757 -17.985 1.307 332 HB3 ALA 40 3HB ALA 40 -6.343 -16.519 2.225 333 H GLN 41 H GLN 41 -3.699 -19.222 3.541 334 HA GLN 41 HA GLN 41 -4.339 -21.943 2.608 335 HB2 GLN 41 1HB GLN 41 -2.150 -20.963 2.128 336 HB3 GLN 41 2HB GLN 41 -1.836 -20.747 3.847 337 HG2 GLN 41 1HG GLN 41 -1.902 -23.200 4.165 338 HG3 GLN 41 2HG GLN 41 -2.141 -23.397 2.426 339 HE21 GLN 41 1HE2 GLN 41 1.532 -23.273 3.821 340 HE22 GLN 41 2HE2 GLN 41 0.094 -23.704 4.714 341 H GLU 42 H GLU 42 -3.053 -20.598 5.679 342 HA GLU 42 HA GLU 42 -2.931 -22.859 7.223 343 HB2 GLU 42 1HB GLU 42 -2.085 -20.557 7.695 344 HB3 GLU 42 2HB GLU 42 -3.719 -20.090 8.161 345 HG2 GLU 42 1HG GLU 42 -3.659 -21.637 10.038 346 HG3 GLU 42 2HG GLU 42 -2.058 -22.209 9.532 347 H GLU 43 H GLU 43 -5.834 -20.751 7.013 348 HA GLU 43 HA GLU 43 -7.250 -22.732 8.720 349 HB2 GLU 43 1HB GLU 43 -8.072 -20.038 7.587 350 HB3 GLU 43 2HB GLU 43 -9.102 -21.057 8.595 351 HG2 GLU 43 1HG GLU 43 -6.443 -19.840 9.434 352 HG3 GLU 43 2HG GLU 43 -8.047 -19.234 9.873 353 H HIS 44 H HIS 44 -7.430 -21.284 5.429 354 HA HIS 44 HA HIS 44 -9.866 -22.895 4.991 355 HB2 HIS 44 1HB HIS 44 -8.697 -20.582 3.445 356 HB3 HIS 44 2HB HIS 44 -10.149 -21.457 2.979 357 HD1 HIS 44 HD1 HIS 44 -8.868 -19.112 5.686 358 HD2 HIS 44 HD2 HIS 44 -12.425 -20.838 4.368 359 HE1 HIS 44 HE1 HIS 44 -10.745 -17.982 6.947 360 H ARG 45 H ARG 45 -6.622 -22.785 3.661 361 HA ARG 45 HA ARG 45 -5.593 -24.000 2.002 362 HB2 ARG 45 1HB ARG 45 -7.940 -25.932 2.115 363 HB3 ARG 45 2HB ARG 45 -6.370 -26.227 1.382 364 HG2 ARG 45 1HG ARG 45 -6.840 -25.777 4.338 365 HG3 ARG 45 2HG ARG 45 -6.714 -27.355 3.548 366 HD2 ARG 45 1HD ARG 45 -4.427 -26.715 2.738 367 HD3 ARG 45 2HD ARG 45 -4.546 -25.236 3.710 368 HE ARG 45 HE ARG 45 -4.062 -27.944 4.663 369 HH11 ARG 45 1HH1 ARG 45 -5.275 -24.783 5.615 370 HH12 ARG 45 2HH1 ARG 45 -5.004 -25.071 7.316 371 HH21 ARG 45 1HH2 ARG 45 -3.714 -28.240 6.867 372 HH22 ARG 45 2HH2 ARG 45 -4.131 -26.975 7.994 373 H THR 46 H THR 46 -6.562 -21.863 0.931 374 HA THR 46 HA THR 46 -8.452 -21.907 -1.080 375 HB THR 46 HB THR 46 -7.308 -19.877 -0.797 376 HG1 THR 46 HG1 THR 46 -7.239 -19.549 -2.850 377 HG21 THR 46 1HG2 THR 46 -5.251 -20.548 0.254 378 HG22 THR 46 2HG2 THR 46 -4.831 -19.652 -1.215 379 HG23 THR 46 3HG2 THR 46 -4.725 -21.422 -1.205 380 H VAL 47 H VAL 47 -8.660 -22.617 -3.174 381 HA VAL 47 HA VAL 47 -7.452 -25.145 -3.727 382 HB VAL 47 HB VAL 47 -8.582 -25.013 -5.935 383 HG11 VAL 47 1HG1 VAL 47 -10.856 -24.947 -5.126 384 HG12 VAL 47 2HG1 VAL 47 -9.834 -25.652 -3.858 385 HG13 VAL 47 3HG1 VAL 47 -10.385 -23.970 -3.727 386 HG21 VAL 47 1HG2 VAL 47 -8.228 -22.631 -6.468 387 HG22 VAL 47 2HG2 VAL 47 -9.957 -23.018 -6.516 388 HG23 VAL 47 3HG2 VAL 47 -9.284 -22.146 -5.124 389 H GLU 48 H GLU 48 -6.189 -22.011 -4.312 390 HA GLU 48 HA GLU 48 -4.351 -23.195 -6.349 391 HB2 GLU 48 1HB GLU 48 -3.924 -20.924 -7.114 392 HB3 GLU 48 2HB GLU 48 -5.600 -21.416 -7.329 393 HG2 GLU 48 1HG GLU 48 -6.313 -20.023 -5.507 394 HG3 GLU 48 2HG GLU 48 -4.636 -19.673 -5.055 395 H VAL 49 H VAL 49 -4.231 -23.267 -3.337 396 HA VAL 49 HA VAL 49 -2.382 -21.593 -2.194 397 HB VAL 49 HB VAL 49 -3.471 -23.326 -0.916 398 HG11 VAL 49 1HG1 VAL 49 -2.963 -25.722 -1.103 399 HG12 VAL 49 2HG1 VAL 49 -3.593 -25.109 -2.638 400 HG13 VAL 49 3HG1 VAL 49 -1.847 -25.411 -2.447 401 HG21 VAL 49 1HG2 VAL 49 -0.493 -23.913 -0.889 402 HG22 VAL 49 2HG2 VAL 49 -1.288 -22.550 -0.069 403 HG23 VAL 49 3HG2 VAL 49 -1.655 -24.219 0.415 404 H GLU 50 H GLU 50 -1.493 -24.232 -4.431 405 HA GLU 50 HA GLU 50 1.326 -24.122 -3.925 406 HB2 GLU 50 1HB GLU 50 -0.169 -24.936 -6.441 407 HB3 GLU 50 2HB GLU 50 1.511 -25.332 -6.061 408 HG2 GLU 50 1HG GLU 50 0.707 -26.605 -4.064 409 HG3 GLU 50 2HG GLU 50 -0.960 -26.298 -4.589 410 H LYS 51 H LYS 51 -0.769 -22.046 -5.750 411 HA LYS 51 HA LYS 51 1.565 -20.868 -7.228 412 HB2 LYS 51 1HB LYS 51 -1.401 -20.708 -7.810 413 HB3 LYS 51 2HB LYS 51 -0.118 -20.054 -8.823 414 HG2 LYS 51 1HG LYS 51 0.647 -22.268 -9.431 415 HG3 LYS 51 2HG LYS 51 -0.428 -23.037 -8.248 416 HD2 LYS 51 1HD LYS 51 -1.451 -21.342 -10.557 417 HD3 LYS 51 2HD LYS 51 -1.243 -23.104 -10.660 418 HE2 LYS 51 1HE LYS 51 -2.818 -23.449 -8.819 419 HE3 LYS 51 2HE LYS 51 -2.945 -21.707 -8.568 420 HZ1 LYS 51 1HZ LYS 51 -4.830 -22.552 -9.765 421 HZ2 LYS 51 2HZ LYS 51 -3.869 -23.103 -10.989 422 HZ3 LYS 51 3HZ LYS 51 -3.995 -21.481 -10.696 423 H VAL 52 H VAL 52 -0.965 -20.264 -4.917 424 HA VAL 52 HA VAL 52 -1.340 -17.490 -5.415 425 HB VAL 52 HB VAL 52 -2.753 -19.258 -4.061 426 HG11 VAL 52 1HG1 VAL 52 -1.011 -19.627 -2.302 427 HG12 VAL 52 2HG1 VAL 52 -1.258 -17.949 -1.757 428 HG13 VAL 52 3HG1 VAL 52 -2.584 -19.124 -1.656 429 HG21 VAL 52 1HG2 VAL 52 -3.532 -17.068 -4.608 430 HG22 VAL 52 2HG2 VAL 52 -3.924 -17.426 -2.917 431 HG23 VAL 52 3HG2 VAL 52 -2.564 -16.346 -3.305 432 H HIS 53 H HIS 53 1.281 -19.083 -3.915 433 HA HIS 53 HA HIS 53 2.141 -16.509 -2.655 434 HB2 HIS 53 1HB HIS 53 3.049 -19.377 -2.146 435 HB3 HIS 53 2HB HIS 53 3.790 -17.937 -1.424 436 HD1 HIS 53 HD1 HIS 53 1.112 -20.386 -0.823 437 HD2 HIS 53 HD2 HIS 53 1.962 -16.450 0.279 438 HE1 HIS 53 HE1 HIS 53 -0.294 -19.866 1.211 439 H LEU 54 H LEU 54 4.748 -18.424 -2.895 440 HA LEU 54 HA LEU 54 6.615 -18.511 -4.177 441 HB2 LEU 54 1HB LEU 54 4.855 -18.018 -6.589 442 HB3 LEU 54 2HB LEU 54 6.443 -18.758 -6.565 443 HG LEU 54 HG LEU 54 3.931 -20.001 -5.397 444 HD11 LEU 54 1HD1 LEU 54 4.039 -21.459 -7.384 445 HD12 LEU 54 2HD1 LEU 54 5.422 -20.526 -8.002 446 HD13 LEU 54 3HD1 LEU 54 3.820 -19.756 -7.834 447 HD21 LEU 54 1HD2 LEU 54 5.965 -20.831 -4.289 448 HD22 LEU 54 2HD2 LEU 54 6.710 -21.166 -5.871 449 HD23 LEU 54 3HD2 LEU 54 5.273 -22.075 -5.345 450 H GLU 55 H GLU 55 8.015 -17.330 -5.752 451 HA GLU 55 HA GLU 55 8.273 -14.608 -5.047 452 HB2 GLU 55 1HB GLU 55 9.104 -16.026 -7.609 453 HB3 GLU 55 2HB GLU 55 9.580 -14.393 -7.151 454 HG2 GLU 55 1HG GLU 55 10.722 -15.321 -5.157 455 HG3 GLU 55 2HG GLU 55 10.339 -16.951 -5.755 456 H LYS 56 H LYS 56 6.459 -16.208 -7.659 457 HA LYS 56 HA LYS 56 6.049 -13.871 -9.211 458 HB2 LYS 56 1HB LYS 56 4.340 -16.366 -8.906 459 HB3 LYS 56 2HB LYS 56 4.072 -15.113 -10.127 460 HG2 LYS 56 1HG LYS 56 6.391 -15.533 -10.985 461 HG3 LYS 56 2HG LYS 56 6.512 -16.901 -9.856 462 HD2 LYS 56 1HD LYS 56 4.522 -17.931 -10.909 463 HD3 LYS 56 2HD LYS 56 4.421 -16.564 -12.039 464 HE2 LYS 56 1HE LYS 56 6.701 -17.118 -12.878 465 HE3 LYS 56 2HE LYS 56 6.738 -18.527 -11.795 466 HZ1 LYS 56 1HZ LYS 56 4.769 -18.086 -13.973 467 HZ2 LYS 56 2HZ LYS 56 4.801 -19.396 -12.970 468 HZ3 LYS 56 3HZ LYS 56 6.039 -19.137 -14.031 469 H LYS 57 H LYS 57 3.664 -15.361 -6.853 470 HA LYS 57 HA LYS 57 2.029 -12.993 -7.293 471 HB2 LYS 57 1HB LYS 57 1.350 -15.478 -6.657 472 HB3 LYS 57 2HB LYS 57 1.484 -14.846 -5.013 473 HG2 LYS 57 1HG LYS 57 -0.071 -13.237 -7.007 474 HG3 LYS 57 2HG LYS 57 -0.789 -14.753 -6.449 475 HD2 LYS 57 1HD LYS 57 -1.187 -13.970 -4.354 476 HD3 LYS 57 2HD LYS 57 0.284 -12.978 -4.308 477 HE2 LYS 57 1HE LYS 57 -0.720 -11.264 -5.645 478 HE3 LYS 57 2HE LYS 57 -2.104 -12.296 -6.043 479 HZ1 LYS 57 1HZ LYS 57 -1.496 -11.360 -3.300 480 HZ2 LYS 57 2HZ LYS 57 -2.852 -12.169 -3.806 481 HZ3 LYS 57 3HZ LYS 57 -2.574 -10.627 -4.329 482 H LEU 58 H LEU 58 4.301 -14.106 -4.742 483 HA LEU 58 HA LEU 58 3.485 -12.044 -2.912 484 HB2 LEU 58 1HB LEU 58 6.192 -13.379 -3.248 485 HB3 LEU 58 2HB LEU 58 5.746 -12.336 -1.898 486 HG LEU 58 HG LEU 58 4.332 -14.946 -2.566 487 HD11 LEU 58 1HD1 LEU 58 5.579 -15.891 -0.663 488 HD12 LEU 58 2HD1 LEU 58 6.468 -14.361 -0.479 489 HD13 LEU 58 3HD1 LEU 58 6.677 -15.344 -1.948 490 HD21 LEU 58 1HD2 LEU 58 4.220 -13.145 -0.130 491 HD22 LEU 58 2HD2 LEU 58 3.469 -14.751 -0.250 492 HD23 LEU 58 3HD2 LEU 58 2.909 -13.433 -1.294 493 H ARG 59 H ARG 59 6.008 -12.097 -5.499 494 HA ARG 59 HA ARG 59 6.853 -9.398 -4.969 495 HB2 ARG 59 1HB ARG 59 8.169 -11.052 -6.262 496 HB3 ARG 59 2HB ARG 59 6.982 -10.942 -7.569 497 HG2 ARG 59 1HG ARG 59 7.602 -8.706 -8.078 498 HG3 ARG 59 2HG ARG 59 8.553 -8.550 -6.583 499 HD2 ARG 59 1HD ARG 59 9.992 -8.933 -8.582 500 HD3 ARG 59 2HD ARG 59 10.149 -10.205 -7.360 501 HE ARG 59 HE ARG 59 8.394 -10.544 -9.754 502 HH11 ARG 59 1HH1 ARG 59 11.020 -11.781 -7.726 503 HH12 ARG 59 2HH1 ARG 59 11.073 -13.320 -8.553 504 HH21 ARG 59 1HH2 ARG 59 8.528 -12.519 -10.763 505 HH22 ARG 59 2HH2 ARG 59 9.709 -13.700 -10.251 506 H ASP 60 H ASP 60 4.277 -10.776 -7.073 507 HA ASP 60 HA ASP 60 3.778 -8.287 -8.395 508 HB2 ASP 60 1HB ASP 60 2.957 -10.623 -9.039 509 HB3 ASP 60 2HB ASP 60 1.669 -10.388 -7.848 510 H GLU 61 H GLU 61 2.240 -9.738 -5.444 511 HA GLU 61 HA GLU 61 0.400 -7.538 -5.196 512 HB2 GLU 61 1HB GLU 61 -0.254 -8.475 -3.126 513 HB3 GLU 61 2HB GLU 61 0.114 -9.815 -4.206 514 HG2 GLU 61 1HG GLU 61 2.354 -9.999 -3.091 515 HG3 GLU 61 2HG GLU 61 1.824 -8.790 -1.921 516 H ILE 62 H ILE 62 3.628 -8.171 -3.639 517 HA ILE 62 HA ILE 62 3.401 -5.687 -2.212 518 HB ILE 62 HB ILE 62 5.624 -5.921 -1.492 519 HG12 ILE 62 1HG1 ILE 62 6.052 -8.020 -3.606 520 HG13 ILE 62 2HG1 ILE 62 6.728 -6.397 -3.600 521 HG21 ILE 62 1HG2 ILE 62 3.803 -7.490 -0.635 522 HG22 ILE 62 2HG2 ILE 62 4.538 -8.754 -1.631 523 HG23 ILE 62 3HG2 ILE 62 5.474 -7.998 -0.328 524 HD11 ILE 62 1HD1 ILE 62 8.439 -7.859 -2.802 525 HD12 ILE 62 2HD1 ILE 62 7.819 -6.974 -1.381 526 HD13 ILE 62 3HD1 ILE 62 7.322 -8.657 -1.670 527 H ASN 63 H ASN 63 4.140 -6.389 -5.533 528 HA ASN 63 HA ASN 63 5.559 -3.852 -5.932 529 HB2 ASN 63 1HB ASN 63 5.849 -5.786 -7.496 530 HB3 ASN 63 2HB ASN 63 4.161 -5.599 -7.993 531 HD21 ASN 63 1HD2 ASN 63 6.861 -2.695 -9.043 532 HD22 ASN 63 2HD2 ASN 63 7.080 -3.598 -7.562 533 H LEU 64 H LEU 64 2.228 -5.098 -6.177 534 HA LEU 64 HA LEU 64 1.054 -2.695 -7.230 535 HB2 LEU 64 1HB LEU 64 -0.152 -4.827 -7.161 536 HB3 LEU 64 2HB LEU 64 -0.013 -4.880 -5.413 537 HG LEU 64 HG LEU 64 -1.472 -2.879 -5.231 538 HD11 LEU 64 1HD1 LEU 64 -2.866 -2.309 -7.234 539 HD12 LEU 64 2HD1 LEU 64 -1.760 -3.281 -8.234 540 HD13 LEU 64 3HD1 LEU 64 -1.167 -1.832 -7.390 541 HD21 LEU 64 1HD2 LEU 64 -3.512 -4.135 -5.711 542 HD22 LEU 64 2HD2 LEU 64 -2.284 -5.172 -4.975 543 HD23 LEU 64 3HD2 LEU 64 -2.593 -5.277 -6.716 544 H ALA 65 H ALA 65 1.544 -3.919 -3.875 545 HA ALA 65 HA ALA 65 0.535 -1.510 -2.658 546 HB1 ALA 65 1HB ALA 65 0.588 -3.441 -1.328 547 HB2 ALA 65 2HB ALA 65 2.289 -3.764 -1.710 548 HB3 ALA 65 3HB ALA 65 1.856 -2.390 -0.660 549 H LYS 66 H LYS 66 3.700 -2.363 -4.022 550 HA LYS 66 HA LYS 66 5.083 -0.107 -2.826 551 HB2 LYS 66 1HB LYS 66 6.243 -2.104 -3.781 552 HB3 LYS 66 2HB LYS 66 5.774 -1.565 -5.397 553 HG2 LYS 66 1HG LYS 66 7.074 0.487 -5.102 554 HG3 LYS 66 2HG LYS 66 7.484 0.001 -3.444 555 HD2 LYS 66 1HD LYS 66 8.607 -2.016 -4.335 556 HD3 LYS 66 2HD LYS 66 8.235 -1.472 -5.988 557 HE2 LYS 66 1HE LYS 66 9.513 0.608 -5.586 558 HE3 LYS 66 2HE LYS 66 9.887 0.058 -3.939 559 HZ1 LYS 66 1HZ LYS 66 10.710 -1.314 -6.434 560 HZ2 LYS 66 2HZ LYS 66 11.051 -1.832 -4.905 561 HZ3 LYS 66 3HZ LYS 66 11.696 -0.419 -5.461 562 H GLN 67 H GLN 67 3.104 -0.577 -5.761 563 HA GLN 67 HA GLN 67 3.760 2.004 -6.886 564 HB2 GLN 67 1HB GLN 67 2.690 0.265 -8.245 565 HB3 GLN 67 2HB GLN 67 1.274 0.275 -7.195 566 HG2 GLN 67 1HG GLN 67 0.847 1.496 -9.278 567 HG3 GLN 67 2HG GLN 67 0.714 2.547 -7.865 568 HE21 GLN 67 1HE2 GLN 67 2.629 4.854 -9.638 569 HE22 GLN 67 2HE2 GLN 67 1.084 4.445 -8.932 570 H GLU 68 H GLU 68 1.081 0.778 -4.761 571 HA GLU 68 HA GLU 68 -0.080 3.261 -4.156 572 HB2 GLU 68 1HB GLU 68 -0.663 0.879 -3.370 573 HB3 GLU 68 2HB GLU 68 0.507 1.130 -2.081 574 HG2 GLU 68 1HG GLU 68 -0.737 3.122 -1.369 575 HG3 GLU 68 2HG GLU 68 -1.936 2.780 -2.619 576 H ALA 69 H ALA 69 2.746 1.725 -2.493 577 HA ALA 69 HA ALA 69 3.200 3.828 -0.652 578 HB1 ALA 69 1HB ALA 69 4.187 1.565 -0.493 579 HB2 ALA 69 2HB ALA 69 5.240 1.934 -1.879 580 HB3 ALA 69 3HB ALA 69 5.420 2.839 -0.362 581 H GLN 70 H GLN 70 4.428 3.468 -3.996 582 HA GLN 70 HA GLN 70 6.309 5.629 -3.891 583 HB2 GLN 70 1HB GLN 70 6.558 4.282 -5.768 584 HB3 GLN 70 2HB GLN 70 4.826 4.153 -6.043 585 HG2 GLN 70 1HG GLN 70 5.901 5.416 -7.847 586 HG3 GLN 70 2HG GLN 70 4.745 6.423 -6.978 587 HE21 GLN 70 1HE2 GLN 70 7.198 8.905 -6.959 588 HE22 GLN 70 2HE2 GLN 70 5.613 8.402 -7.484 589 H ARG 71 H ARG 71 2.796 5.495 -4.634 590 HA ARG 71 HA ARG 71 2.756 8.337 -5.249 591 HB2 ARG 71 1HB ARG 71 0.524 6.402 -4.581 592 HB3 ARG 71 2HB ARG 71 0.289 8.066 -5.125 593 HG2 ARG 71 1HG ARG 71 1.589 5.814 -6.704 594 HG3 ARG 71 2HG ARG 71 -0.009 6.514 -6.978 595 HD2 ARG 71 1HD ARG 71 1.710 8.732 -7.072 596 HD3 ARG 71 2HD ARG 71 2.621 7.445 -7.893 597 HE ARG 71 HE ARG 71 -0.140 7.522 -8.751 598 HH11 ARG 71 1HH1 ARG 71 2.914 9.279 -9.248 599 HH12 ARG 71 2HH1 ARG 71 2.416 9.806 -10.833 600 HH21 ARG 71 1HH2 ARG 71 -0.685 8.278 -10.705 601 HH22 ARG 71 2HH2 ARG 71 0.418 9.243 -11.652 602 H LEU 72 H LEU 72 2.352 6.421 -2.269 603 HA LEU 72 HA LEU 72 1.301 8.618 -0.745 604 HB2 LEU 72 1HB LEU 72 2.664 6.032 -0.053 605 HB3 LEU 72 2HB LEU 72 2.176 7.201 1.187 606 HG LEU 72 HG LEU 72 0.196 6.340 -0.918 607 HD11 LEU 72 1HD1 LEU 72 1.052 4.244 -0.049 608 HD12 LEU 72 2HD1 LEU 72 -0.607 4.530 0.498 609 HD13 LEU 72 3HD1 LEU 72 0.747 4.792 1.603 610 HD21 LEU 72 1HD2 LEU 72 -0.104 7.196 1.983 611 HD22 LEU 72 2HD2 LEU 72 -1.436 6.786 0.886 612 HD23 LEU 72 3HD2 LEU 72 -0.425 8.203 0.555 613 H LYS 73 H LYS 73 4.566 7.461 -1.579 614 HA LYS 73 HA LYS 73 6.014 9.437 -0.053 615 HB2 LYS 73 1HB LYS 73 7.221 7.559 -0.928 616 HB3 LYS 73 2HB LYS 73 6.587 7.823 -2.536 617 HG2 LYS 73 1HG LYS 73 7.919 10.071 -2.446 618 HG3 LYS 73 2HG LYS 73 8.830 9.266 -1.161 619 HD2 LYS 73 1HD LYS 73 9.432 7.460 -2.663 620 HD3 LYS 73 2HD LYS 73 8.301 8.043 -3.898 621 HE2 LYS 73 1HE LYS 73 10.797 9.506 -2.950 622 HE3 LYS 73 2HE LYS 73 10.619 8.621 -4.478 623 HZ1 LYS 73 1HZ LYS 73 8.740 10.233 -4.955 624 HZ2 LYS 73 2HZ LYS 73 10.253 10.891 -4.965 625 HZ3 LYS 73 3HZ LYS 73 9.266 11.134 -3.670 626 H GLU 74 H GLU 74 4.755 9.387 -3.401 627 HA GLU 74 HA GLU 74 5.847 11.882 -4.207 628 HB2 GLU 74 1HB GLU 74 4.793 9.996 -5.559 629 HB3 GLU 74 2HB GLU 74 3.222 10.675 -5.139 630 HG2 GLU 74 1HG GLU 74 3.802 12.754 -6.274 631 HG3 GLU 74 2HG GLU 74 5.426 12.124 -6.619 632 H LEU 75 H LEU 75 2.728 11.058 -2.662 633 HA LEU 75 HA LEU 75 1.789 13.793 -2.710 634 HB2 LEU 75 1HB LEU 75 0.939 11.338 -1.150 635 HB3 LEU 75 2HB LEU 75 0.107 12.876 -1.078 636 HG LEU 75 HG LEU 75 0.390 11.158 -3.555 637 HD11 LEU 75 1HD1 LEU 75 -1.995 10.714 -3.248 638 HD12 LEU 75 2HD1 LEU 75 -2.025 11.726 -1.793 639 HD13 LEU 75 3HD1 LEU 75 -1.091 10.215 -1.809 640 HD21 LEU 75 1HD2 LEU 75 -1.303 12.721 -4.518 641 HD22 LEU 75 2HD2 LEU 75 0.283 13.450 -4.257 642 HD23 LEU 75 3HD2 LEU 75 -1.051 13.793 -3.134 643 H ARG 76 H ARG 76 3.328 11.754 -0.167 644 HA ARG 76 HA ARG 76 2.991 13.708 1.903 645 HB2 ARG 76 1HB ARG 76 4.466 12.417 3.236 646 HB3 ARG 76 2HB ARG 76 3.580 11.270 2.252 647 HG2 ARG 76 1HG ARG 76 5.621 10.388 1.979 648 HG3 ARG 76 2HG ARG 76 5.706 11.586 0.718 649 HD2 ARG 76 1HD ARG 76 6.691 13.137 2.585 650 HD3 ARG 76 2HD ARG 76 7.052 11.594 3.375 651 HE ARG 76 HE ARG 76 7.870 11.480 0.645 652 HH11 ARG 76 1HH1 ARG 76 8.856 13.028 3.654 653 HH12 ARG 76 2HH1 ARG 76 10.523 13.149 3.157 654 HH21 ARG 76 1HH2 ARG 76 9.993 11.708 0.044 655 HH22 ARG 76 2HH2 ARG 76 11.158 12.388 1.155 656 H GLU 77 H GLU 77 5.217 13.577 -0.787 657 HA GLU 77 HA GLU 77 7.202 15.265 0.444 658 HB2 GLU 77 1HB GLU 77 6.592 14.380 -2.340 659 HB3 GLU 77 2HB GLU 77 7.667 15.782 -2.113 660 HG2 GLU 77 1HG GLU 77 9.183 14.541 -0.762 661 HG3 GLU 77 2HG GLU 77 8.019 13.244 -0.541 662 H GLY 78 H GLY 78 3.986 15.917 -0.654 663 HA2 GLY 78 1HA GLY 78 3.005 17.882 0.300 664 HA3 GLY 78 2HA GLY 78 4.529 18.734 0.134 665 H THR 79 H THR 79 1.735 17.475 -1.647 666 HA THR 79 HA THR 79 2.339 18.868 -4.101 667 HB THR 79 HB THR 79 -0.026 18.327 -4.666 668 HG1 THR 79 HG1 THR 79 -1.043 18.602 -2.711 669 HG21 THR 79 1HG2 THR 79 1.784 16.558 -4.812 670 HG22 THR 79 2HG2 THR 79 0.143 15.926 -4.579 671 HG23 THR 79 3HG2 THR 79 1.268 15.987 -3.207 672 H GLU 80 H GLU 80 1.323 20.083 -1.126 673 HA GLU 80 HA GLU 80 0.358 22.021 -0.401 674 HB2 GLU 80 1HB GLU 80 1.700 22.766 -2.782 675 HB3 GLU 80 2HB GLU 80 0.149 23.588 -2.832 676 HG2 GLU 80 1HG GLU 80 2.058 23.668 -0.468 677 HG3 GLU 80 2HG GLU 80 2.061 24.863 -1.770 678 H ASN 81 H ASN 81 -1.532 23.765 -1.674 679 HA ASN 81 HA ASN 81 -3.887 22.148 -1.328 680 HB2 ASN 81 1HB ASN 81 -5.100 24.138 -1.662 681 HB3 ASN 81 2HB ASN 81 -3.582 24.694 -0.941 682 HD21 ASN 81 1HD2 ASN 81 -2.514 26.426 -3.831 683 HD22 ASN 81 2HD2 ASN 81 -2.024 25.722 -2.302 684 H GLU 82 H GLU 82 -5.593 21.762 -2.830 685 HA GLU 82 HA GLU 82 -4.621 21.010 -5.453 686 HB2 GLU 82 1HB GLU 82 -7.366 20.820 -4.194 687 HB3 GLU 82 2HB GLU 82 -6.928 20.195 -5.794 688 HG2 GLU 82 1HG GLU 82 -5.062 18.916 -4.585 689 HG3 GLU 82 2HG GLU 82 -5.956 19.273 -3.096 690 H ARG 83 H ARG 83 -4.045 23.312 -5.991 691 HA ARG 83 HA ARG 83 -6.166 25.048 -6.958 692 HB2 ARG 83 1HB ARG 83 -3.352 25.127 -6.863 693 HB3 ARG 83 2HB ARG 83 -3.715 25.037 -8.591 694 HG2 ARG 83 1HG ARG 83 -3.580 27.367 -8.018 695 HG3 ARG 83 2HG ARG 83 -5.305 26.999 -8.251 696 HD2 ARG 83 1HD ARG 83 -5.522 26.668 -5.792 697 HD3 ARG 83 2HD ARG 83 -3.833 27.151 -5.598 698 HE ARG 83 HE ARG 83 -5.023 29.263 -6.945 699 HH11 ARG 83 1HH1 ARG 83 -5.652 27.593 -3.902 700 HH12 ARG 83 2HH1 ARG 83 -6.304 29.023 -3.139 701 HH21 ARG 83 1HH2 ARG 83 -5.869 31.058 -5.909 702 HH22 ARG 83 2HH2 ARG 83 -6.433 30.946 -4.265 703 H SER 84 H SER 84 -6.481 25.330 -9.463 704 HA SER 84 HA SER 84 -7.719 23.049 -10.436 705 HB2 SER 84 1HB SER 84 -6.521 25.145 -12.247 706 HB3 SER 84 2HB SER 84 -8.060 24.270 -12.423 707 HG SER 84 HG SER 84 -8.918 25.464 -10.783 708 H ARG 85 H ARG 85 -4.275 23.784 -10.842 709 HA ARG 85 HA ARG 85 -4.023 21.625 -12.881 710 HB2 ARG 85 1HB ARG 85 -1.983 23.541 -11.682 711 HB3 ARG 85 2HB ARG 85 -1.622 22.310 -12.895 712 HG2 ARG 85 1HG ARG 85 -3.205 23.419 -14.460 713 HG3 ARG 85 2HG ARG 85 -3.430 24.715 -13.261 714 HD2 ARG 85 1HD ARG 85 -0.994 25.157 -13.299 715 HD3 ARG 85 2HD ARG 85 -0.784 23.873 -14.506 716 HE ARG 85 HE ARG 85 -2.692 25.697 -15.515 717 HH11 ARG 85 1HH1 ARG 85 0.759 25.656 -14.775 718 HH12 ARG 85 2HH1 ARG 85 1.127 26.868 -15.972 719 HH21 ARG 85 1HH2 ARG 85 -2.146 27.235 -17.033 720 HH22 ARG 85 2HH2 ARG 85 -0.490 27.741 -17.227 721 H GLN 86 H GLN 86 -4.121 21.867 -9.562 722 HA GLN 86 HA GLN 86 -2.130 19.679 -9.138 723 HB2 GLN 86 1HB GLN 86 -2.188 22.188 -8.029 724 HB3 GLN 86 2HB GLN 86 -3.149 21.290 -6.865 725 HG2 GLN 86 1HG GLN 86 -1.122 20.966 -5.938 726 HG3 GLN 86 2HG GLN 86 -1.114 19.580 -7.035 727 HE21 GLN 86 1HE2 GLN 86 2.055 21.625 -7.268 728 HE22 GLN 86 2HE2 GLN 86 1.137 21.004 -5.907 729 H LYS 87 H LYS 87 -5.202 19.890 -9.796 730 HA LYS 87 HA LYS 87 -6.621 18.872 -7.516 731 HB2 LYS 87 1HB LYS 87 -8.413 18.453 -9.093 732 HB3 LYS 87 2HB LYS 87 -7.688 20.029 -9.431 733 HG2 LYS 87 1HG LYS 87 -6.707 19.301 -11.438 734 HG3 LYS 87 2HG LYS 87 -6.721 17.604 -10.960 735 HD2 LYS 87 1HD LYS 87 -9.444 18.515 -11.022 736 HD3 LYS 87 2HD LYS 87 -8.647 19.016 -12.526 737 HE2 LYS 87 1HE LYS 87 -9.558 16.798 -12.885 738 HE3 LYS 87 2HE LYS 87 -7.793 16.654 -12.789 739 HZ1 LYS 87 1HZ LYS 87 -8.568 14.948 -11.426 740 HZ2 LYS 87 2HZ LYS 87 -9.790 15.849 -10.773 741 HZ3 LYS 87 3HZ LYS 87 -8.227 16.126 -10.329 742 H TYR 88 H TYR 88 -4.174 17.295 -8.885 743 HA TYR 88 HA TYR 88 -5.547 14.703 -9.158 744 HB2 TYR 88 1HB TYR 88 -3.861 14.044 -10.492 745 HB3 TYR 88 2HB TYR 88 -3.619 15.779 -10.696 746 HD1 TYR 88 HD1 TYR 88 -2.154 12.643 -9.607 747 HD2 TYR 88 HD2 TYR 88 -1.789 16.921 -9.205 748 HE1 TYR 88 HE1 TYR 88 0.194 12.372 -8.822 749 HE2 TYR 88 HE2 TYR 88 0.565 16.629 -8.403 750 HH TYR 88 HH TYR 88 2.141 13.416 -8.227 751 H ALA 89 H ALA 89 -4.169 16.537 -6.665 752 HA ALA 89 HA ALA 89 -2.457 14.575 -5.504 753 HB1 ALA 89 1HB ALA 89 -2.378 16.973 -4.934 754 HB2 ALA 89 2HB ALA 89 -3.976 16.854 -4.166 755 HB3 ALA 89 3HB ALA 89 -2.593 15.974 -3.479 756 H GLU 90 H GLU 90 -5.805 15.505 -4.397 757 HA GLU 90 HA GLU 90 -5.798 13.115 -2.682 758 HB2 GLU 90 1HB GLU 90 -7.976 15.134 -3.285 759 HB3 GLU 90 2HB GLU 90 -8.104 13.818 -2.109 760 HG2 GLU 90 1HG GLU 90 -6.125 16.140 -2.007 761 HG3 GLU 90 2HG GLU 90 -7.546 15.931 -0.975 762 H GLU 91 H GLU 91 -6.611 13.914 -5.925 763 HA GLU 91 HA GLU 91 -8.378 11.697 -6.479 764 HB2 GLU 91 1HB GLU 91 -7.915 13.588 -8.075 765 HB3 GLU 91 2HB GLU 91 -6.264 12.997 -8.225 766 HG2 GLU 91 1HG GLU 91 -7.245 10.805 -9.063 767 HG3 GLU 91 2HG GLU 91 -8.781 11.675 -9.214 768 H GLU 92 H GLU 92 -4.819 12.155 -6.193 769 HA GLU 92 HA GLU 92 -4.228 9.480 -7.094 770 HB2 GLU 92 1HB GLU 92 -2.678 11.525 -7.029 771 HB3 GLU 92 2HB GLU 92 -2.458 11.156 -5.324 772 HG2 GLU 92 1HG GLU 92 -0.658 10.201 -6.558 773 HG3 GLU 92 2HG GLU 92 -1.694 8.887 -5.979 774 H LEU 93 H LEU 93 -5.219 10.914 -4.049 775 HA LEU 93 HA LEU 93 -4.390 8.681 -2.408 776 HB2 LEU 93 1HB LEU 93 -5.091 10.944 -1.512 777 HB3 LEU 93 2HB LEU 93 -6.753 10.525 -1.938 778 HG LEU 93 HG LEU 93 -6.525 8.483 -0.446 779 HD11 LEU 93 1HD1 LEU 93 -4.133 8.261 -0.250 780 HD12 LEU 93 2HD1 LEU 93 -4.756 8.675 1.355 781 HD13 LEU 93 3HD1 LEU 93 -3.959 9.917 0.360 782 HD21 LEU 93 1HD2 LEU 93 -6.816 9.823 1.649 783 HD22 LEU 93 2HD2 LEU 93 -7.803 10.365 0.277 784 HD23 LEU 93 3HD2 LEU 93 -6.350 11.270 0.722 785 H GLU 94 H GLU 94 -7.267 9.465 -4.391 786 HA GLU 94 HA GLU 94 -8.713 7.080 -3.594 787 HB2 GLU 94 1HB GLU 94 -8.962 8.955 -5.956 788 HB3 GLU 94 2HB GLU 94 -9.953 7.506 -5.802 789 HG2 GLU 94 1HG GLU 94 -9.850 9.608 -3.620 790 HG3 GLU 94 2HG GLU 94 -10.954 9.725 -4.999 791 H GLN 95 H GLN 95 -6.260 7.809 -6.091 792 HA GLN 95 HA GLN 95 -6.548 5.220 -7.400 793 HB2 GLN 95 1HB GLN 95 -4.287 7.243 -7.389 794 HB3 GLN 95 2HB GLN 95 -4.305 5.780 -8.380 795 HG2 GLN 95 1HG GLN 95 -6.360 6.557 -9.510 796 HG3 GLN 95 2HG GLN 95 -6.361 8.018 -8.522 797 HE21 GLN 95 1HE2 GLN 95 -4.405 9.778 -10.763 798 HE22 GLN 95 2HE2 GLN 95 -5.637 9.757 -9.535 799 H VAL 96 H VAL 96 -4.613 6.485 -4.697 800 HA VAL 96 HA VAL 96 -3.002 4.145 -4.216 801 HB VAL 96 HB VAL 96 -3.886 6.602 -2.735 802 HG11 VAL 96 1HG1 VAL 96 -4.437 5.159 -0.940 803 HG12 VAL 96 2HG1 VAL 96 -3.012 4.143 -1.202 804 HG13 VAL 96 3HG1 VAL 96 -2.826 5.786 -0.575 805 HG21 VAL 96 1HG2 VAL 96 -1.197 5.238 -2.921 806 HG22 VAL 96 2HG2 VAL 96 -1.810 6.487 -4.034 807 HG23 VAL 96 3HG2 VAL 96 -1.530 6.882 -2.328 808 H ARG 97 H ARG 97 -6.186 5.256 -3.103 809 HA ARG 97 HA ARG 97 -6.820 2.965 -1.523 810 HB2 ARG 97 1HB ARG 97 -7.925 5.272 -1.624 811 HB3 ARG 97 2HB ARG 97 -8.757 4.707 -3.067 812 HG2 ARG 97 1HG ARG 97 -9.778 2.885 -1.707 813 HG3 ARG 97 2HG ARG 97 -9.014 3.611 -0.266 814 HD2 ARG 97 1HD ARG 97 -10.069 5.783 -0.894 815 HD3 ARG 97 2HD ARG 97 -10.913 4.955 -2.207 816 HE ARG 97 HE ARG 97 -11.485 3.653 0.262 817 HH11 ARG 97 1HH1 ARG 97 -12.204 6.656 -1.477 818 HH12 ARG 97 2HH1 ARG 97 -13.746 6.849 -0.671 819 HH21 ARG 97 1HH2 ARG 97 -13.451 3.991 1.266 820 HH22 ARG 97 2HH2 ARG 97 -14.429 5.373 0.857 821 H GLU 98 H GLU 98 -6.851 3.533 -5.019 822 HA GLU 98 HA GLU 98 -8.523 1.201 -5.537 823 HB2 GLU 98 1HB GLU 98 -8.304 3.219 -7.030 824 HB3 GLU 98 2HB GLU 98 -6.723 2.596 -7.521 825 HG2 GLU 98 1HG GLU 98 -7.699 0.625 -8.466 826 HG3 GLU 98 2HG GLU 98 -9.255 0.943 -7.681 827 H ALA 99 H ALA 99 -5.016 1.914 -5.441 828 HA ALA 99 HA ALA 99 -4.066 -0.657 -6.262 829 HB1 ALA 99 1HB ALA 99 -2.896 1.171 -4.159 830 HB2 ALA 99 2HB ALA 99 -2.059 -0.122 -5.037 831 HB3 ALA 99 3HB ALA 99 -2.626 1.324 -5.909 832 H LEU 100 H LEU 100 -4.943 0.690 -3.046 833 HA LEU 100 HA LEU 100 -4.618 -1.730 -1.587 834 HB2 LEU 100 1HB LEU 100 -4.826 0.595 -0.706 835 HB3 LEU 100 2HB LEU 100 -6.551 0.547 -1.031 836 HG LEU 100 HG LEU 100 -5.374 -1.583 0.729 837 HD11 LEU 100 1HD1 LEU 100 -4.325 0.505 1.506 838 HD12 LEU 100 2HD1 LEU 100 -5.521 -0.089 2.679 839 HD13 LEU 100 3HD1 LEU 100 -5.924 1.280 1.612 840 HD21 LEU 100 1HD2 LEU 100 -7.784 -1.668 0.215 841 HD22 LEU 100 2HD2 LEU 100 -7.986 0.001 0.796 842 HD23 LEU 100 3HD2 LEU 100 -7.534 -1.298 1.926 843 H ARG 101 H ARG 101 -7.543 -0.392 -3.194 844 HA ARG 101 HA ARG 101 -9.327 -2.461 -2.299 845 HB2 ARG 101 1HB ARG 101 -9.356 -0.497 -4.585 846 HB3 ARG 101 2HB ARG 101 -10.566 -1.777 -4.514 847 HG2 ARG 101 1HG ARG 101 -11.397 -1.004 -2.391 848 HG3 ARG 101 2HG ARG 101 -10.099 0.191 -2.247 849 HD2 ARG 101 1HD ARG 101 -12.132 0.195 -4.511 850 HD3 ARG 101 2HD ARG 101 -12.351 1.099 -3.000 851 HE ARG 101 HE ARG 101 -9.820 1.803 -4.027 852 HH11 ARG 101 1HH1 ARG 101 -13.197 2.192 -4.994 853 HH12 ARG 101 2HH1 ARG 101 -12.878 3.682 -5.844 854 HH21 ARG 101 1HH2 ARG 101 -9.503 3.736 -5.165 855 HH22 ARG 101 2HH2 ARG 101 -10.850 4.520 -5.935 856 H LYS 102 H LYS 102 -7.145 -2.237 -5.122 857 HA LYS 102 HA LYS 102 -8.149 -4.638 -6.369 858 HB2 LYS 102 1HB LYS 102 -6.752 -3.019 -7.583 859 HB3 LYS 102 2HB LYS 102 -5.401 -3.338 -6.496 860 HG2 LYS 102 1HG LYS 102 -5.217 -5.630 -7.306 861 HG3 LYS 102 2HG LYS 102 -6.654 -5.424 -8.323 862 HD2 LYS 102 1HD LYS 102 -5.521 -3.732 -9.660 863 HD3 LYS 102 2HD LYS 102 -4.106 -3.789 -8.603 864 HE2 LYS 102 1HE LYS 102 -5.095 -6.222 -10.132 865 HE3 LYS 102 2HE LYS 102 -3.941 -5.067 -10.819 866 HZ1 LYS 102 1HZ LYS 102 -2.788 -6.934 -9.826 867 HZ2 LYS 102 2HZ LYS 102 -3.503 -6.684 -8.363 868 HZ3 LYS 102 3HZ LYS 102 -2.440 -5.575 -8.964 869 H ALA 103 H ALA 103 -5.557 -3.993 -3.949 870 HA ALA 103 HA ALA 103 -4.715 -6.719 -3.800 871 HB1 ALA 103 1HB ALA 103 -4.648 -4.591 -1.623 872 HB2 ALA 103 2HB ALA 103 -3.668 -6.069 -1.708 873 HB3 ALA 103 3HB ALA 103 -3.433 -4.783 -2.909 874 H GLU 104 H GLU 104 -7.146 -4.889 -1.850 875 HA GLU 104 HA GLU 104 -7.824 -7.089 -0.141 876 HB2 GLU 104 1HB GLU 104 -9.307 -4.621 -1.065 877 HB3 GLU 104 2HB GLU 104 -10.089 -5.818 -0.027 878 HG2 GLU 104 1HG GLU 104 -7.455 -4.503 0.700 879 HG3 GLU 104 2HG GLU 104 -9.025 -3.812 1.136 880 H LYS 105 H LYS 105 -9.056 -6.097 -3.357 881 HA LYS 105 HA LYS 105 -11.104 -8.123 -3.443 882 HB2 LYS 105 1HB LYS 105 -11.118 -6.133 -4.917 883 HB3 LYS 105 2HB LYS 105 -9.644 -6.702 -5.706 884 HG2 LYS 105 1HG LYS 105 -11.570 -7.177 -7.114 885 HG3 LYS 105 2HG LYS 105 -10.854 -8.691 -6.548 886 HD2 LYS 105 1HD LYS 105 -12.611 -8.786 -4.745 887 HD3 LYS 105 2HD LYS 105 -13.364 -7.348 -5.462 888 HE2 LYS 105 1HE LYS 105 -13.670 -8.588 -7.582 889 HE3 LYS 105 2HE LYS 105 -12.888 -10.011 -6.852 890 HZ1 LYS 105 1HZ LYS 105 -14.651 -9.970 -5.146 891 HZ2 LYS 105 2HZ LYS 105 -15.244 -10.249 -6.665 892 HZ3 LYS 105 3HZ LYS 105 -15.419 -8.764 -5.963 893 H GLU 106 H GLU 106 -7.661 -8.066 -4.368 894 HA GLU 106 HA GLU 106 -7.645 -10.621 -5.672 895 HB2 GLU 106 1HB GLU 106 -5.569 -8.979 -4.225 896 HB3 GLU 106 2HB GLU 106 -5.210 -10.631 -4.701 897 HG2 GLU 106 1HG GLU 106 -5.541 -10.111 -7.015 898 HG3 GLU 106 2HG GLU 106 -6.121 -8.486 -6.614 899 H LEU 107 H LEU 107 -6.997 -9.625 -2.251 900 HA LEU 107 HA LEU 107 -6.537 -12.272 -1.313 901 HB2 LEU 107 1HB LEU 107 -7.734 -9.865 0.093 902 HB3 LEU 107 2HB LEU 107 -7.282 -11.355 0.911 903 HG LEU 107 HG LEU 107 -5.350 -9.525 -0.551 904 HD11 LEU 107 1HD1 LEU 107 -4.609 -9.073 1.831 905 HD12 LEU 107 2HD1 LEU 107 -6.090 -9.882 2.366 906 HD13 LEU 107 3HD1 LEU 107 -6.190 -8.404 1.385 907 HD21 LEU 107 1HD2 LEU 107 -4.493 -11.785 -0.578 908 HD22 LEU 107 2HD2 LEU 107 -4.905 -12.018 1.134 909 HD23 LEU 107 3HD2 LEU 107 -3.621 -10.880 0.667 910 H GLU 108 H GLU 108 -9.591 -10.429 -1.587 911 HA GLU 108 HA GLU 108 -11.276 -12.385 -0.386 912 HB2 GLU 108 1HB GLU 108 -11.930 -10.033 -1.052 913 HB3 GLU 108 2HB GLU 108 -11.930 -10.563 -2.735 914 HG2 GLU 108 1HG GLU 108 -13.666 -12.305 -2.062 915 HG3 GLU 108 2HG GLU 108 -13.777 -11.462 -0.507 916 H SER 109 H SER 109 -10.268 -11.916 -3.816 917 HA SER 109 HA SER 109 -11.739 -14.166 -4.785 918 HB2 SER 109 1HB SER 109 -10.471 -13.911 -6.820 919 HB3 SER 109 2HB SER 109 -10.892 -12.308 -6.193 920 HG SER 109 HG SER 109 -8.621 -12.632 -5.127 921 H HIS 110 H HIS 110 -8.474 -13.952 -3.361 922 HA HIS 110 HA HIS 110 -7.701 -16.606 -4.287 923 HB2 HIS 110 1HB HIS 110 -6.679 -14.902 -1.968 924 HB3 HIS 110 2HB HIS 110 -5.930 -16.395 -2.537 925 HD1 HIS 110 HD1 HIS 110 -5.695 -16.014 -5.556 926 HD2 HIS 110 HD2 HIS 110 -5.051 -12.951 -2.779 927 HE1 HIS 110 HE1 HIS 110 -4.237 -14.274 -6.676 928 H SER 111 H SER 111 -9.626 -15.306 -1.670 929 HA SER 111 HA SER 111 -9.466 -17.908 -0.184 930 HB2 SER 111 1HB SER 111 -10.665 -16.599 1.583 931 HB3 SER 111 2HB SER 111 -9.091 -15.903 1.137 932 HG SER 111 HG SER 111 -10.083 -14.306 0.011 933 H SER 112 H SER 112 -11.401 -16.380 -2.544 934 HA SER 112 HA SER 112 -14.022 -17.067 -1.578 935 HB2 SER 112 1HB SER 112 -12.964 -16.580 -4.385 936 HB3 SER 112 2HB SER 112 -14.679 -16.801 -3.992 937 HG SER 112 HG SER 112 -13.049 -14.828 -2.744 938 H TRP 113 H TRP 113 -11.530 -18.976 -3.112 939 HA TRP 113 HA TRP 113 -13.463 -21.249 -3.213 940 HB2 TRP 113 1HB TRP 113 -11.288 -20.623 -5.241 941 HB3 TRP 113 2HB TRP 113 -12.318 -22.067 -5.233 942 HD1 TRP 113 HD1 TRP 113 -15.030 -21.562 -5.619 943 HE1 TRP 113 HE1 TRP 113 -16.239 -19.804 -6.997 944 HE3 TRP 113 HE3 TRP 113 -11.147 -18.271 -6.113 945 HZ2 TRP 113 HZ2 TRP 113 -15.623 -17.267 -8.154 946 HZ3 TRP 113 HZ3 TRP 113 -11.530 -16.148 -7.379 947 HH2 TRP 113 HH2 TRP 113 -13.760 -15.659 -8.386 948 H TYR 114 H TYR 114 -12.862 -22.770 -1.824 949 HA TYR 114 HA TYR 114 -10.017 -23.425 -1.514 950 HB2 TYR 114 1HB TYR 114 -10.055 -23.098 0.892 951 HB3 TYR 114 2HB TYR 114 -10.368 -21.578 0.072 952 HD1 TYR 114 HD1 TYR 114 -12.614 -20.524 0.165 953 HD2 TYR 114 HD2 TYR 114 -11.782 -24.176 2.278 954 HE1 TYR 114 HE1 TYR 114 -14.664 -20.197 1.542 955 HE2 TYR 114 HE2 TYR 114 -13.833 -23.843 3.651 956 HH TYR 114 HH TYR 114 -15.607 -22.495 4.111 957 H ALA 115 H ALA 115 -9.755 -25.282 -0.026 958 HA ALA 115 HA ALA 115 -10.120 -27.480 0.391 959 HB1 ALA 115 1HB ALA 115 -12.997 -26.613 0.920 960 HB2 ALA 115 2HB ALA 115 -12.223 -28.101 1.504 961 HB3 ALA 115 3HB ALA 115 -11.661 -26.518 2.095 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 13.712 25.882 3.885 2 H2 GLY 1 2H GLY 1 12.960 27.320 4.184 3 H3 GLY 1 3H GLY 1 14.335 27.283 3.275 4 HA2 GLY 1 1HA GLY 1 13.233 26.035 1.550 5 HA3 GLY 1 2HA GLY 1 11.751 26.088 2.525 6 H SER 2 H SER 2 11.114 27.104 0.257 7 HA SER 2 HA SER 2 11.946 29.852 -0.166 8 HB2 SER 2 1HB SER 2 10.187 29.868 -1.851 9 HB3 SER 2 2HB SER 2 11.028 28.308 -1.947 10 HG SER 2 HG SER 2 8.757 28.049 -1.969 11 HA PRO 3 HA PRO 3 9.200 31.906 2.636 12 HB2 PRO 3 1HB PRO 3 7.947 33.372 0.312 13 HB3 PRO 3 2HB PRO 3 8.604 34.029 1.846 14 HG2 PRO 3 1HG PRO 3 9.983 34.301 -0.381 15 HG3 PRO 3 2HG PRO 3 10.816 33.788 1.123 16 HD2 PRO 3 1HD PRO 3 9.884 32.095 -1.202 17 HD3 PRO 3 2HD PRO 3 11.466 32.085 -0.346 18 H GLU 4 H GLU 4 7.744 30.688 -0.402 19 HA GLU 4 HA GLU 4 5.052 30.560 0.550 20 HB2 GLU 4 1HB GLU 4 6.554 28.913 -1.510 21 HB3 GLU 4 2HB GLU 4 4.841 28.697 -1.142 22 HG2 GLU 4 1HG GLU 4 4.648 31.231 -1.628 23 HG3 GLU 4 2HG GLU 4 6.200 31.014 -2.464 24 H PHE 5 H PHE 5 7.728 28.131 0.608 25 HA PHE 5 HA PHE 5 6.062 26.142 1.846 26 HB2 PHE 5 1HB PHE 5 9.000 26.474 1.393 27 HB3 PHE 5 2HB PHE 5 8.462 25.308 2.606 28 HD1 PHE 5 HD1 PHE 5 6.814 23.489 1.955 29 HD2 PHE 5 HD2 PHE 5 8.878 25.902 -0.945 30 HE1 PHE 5 HE1 PHE 5 6.318 21.795 0.195 31 HE2 PHE 5 HE2 PHE 5 8.369 24.226 -2.714 32 HZ PHE 5 HZ PHE 5 7.086 22.164 -2.141 33 H ASN 6 H ASN 6 7.652 28.965 3.135 34 HA ASN 6 HA ASN 6 7.510 27.969 5.896 35 HB2 ASN 6 1HB ASN 6 9.135 29.746 5.108 36 HB3 ASN 6 2HB ASN 6 7.757 30.842 4.930 37 HD21 ASN 6 1HD2 ASN 6 8.044 31.840 8.231 38 HD22 ASN 6 2HD2 ASN 6 7.775 32.250 6.554 39 H ARG 7 H ARG 7 5.658 30.170 3.760 40 HA ARG 7 HA ARG 7 3.619 30.919 5.625 41 HB2 ARG 7 1HB ARG 7 4.102 31.961 3.383 42 HB3 ARG 7 2HB ARG 7 3.444 30.520 2.607 43 HG2 ARG 7 1HG ARG 7 1.239 30.990 3.690 44 HG3 ARG 7 2HG ARG 7 1.922 32.508 4.316 45 HD2 ARG 7 1HD ARG 7 2.466 33.174 1.970 46 HD3 ARG 7 2HD ARG 7 1.690 31.685 1.395 47 HE ARG 7 HE ARG 7 -0.130 33.135 3.051 48 HH11 ARG 7 1HH1 ARG 7 1.296 33.299 -0.178 49 HH12 ARG 7 2HH1 ARG 7 -0.035 34.227 -0.817 50 HH21 ARG 7 1HH2 ARG 7 -1.800 34.305 2.156 51 HH22 ARG 7 2HH2 ARG 7 -1.753 34.779 0.480 52 H TYR 8 H TYR 8 3.978 28.177 3.439 53 HA TYR 8 HA TYR 8 1.332 27.098 4.213 54 HB2 TYR 8 1HB TYR 8 3.377 26.202 2.150 55 HB3 TYR 8 2HB TYR 8 1.761 25.544 2.348 56 HD1 TYR 8 HD1 TYR 8 0.195 28.149 2.737 57 HD2 TYR 8 HD2 TYR 8 3.288 27.089 -0.064 58 HE1 TYR 8 HE1 TYR 8 -0.697 29.807 1.126 59 HE2 TYR 8 HE2 TYR 8 2.396 28.788 -1.666 60 HH TYR 8 HH TYR 8 -0.557 30.663 -0.983 61 H SER 9 H SER 9 4.093 27.046 5.799 62 HA SER 9 HA SER 9 5.102 24.442 5.776 63 HB2 SER 9 1HB SER 9 5.854 24.945 8.125 64 HB3 SER 9 2HB SER 9 6.253 26.202 6.935 65 HG SER 9 HG SER 9 4.974 27.554 7.904 66 H LYS 10 H LYS 10 2.357 25.654 7.718 67 HA LYS 10 HA LYS 10 2.169 23.306 9.303 68 HB2 LYS 10 1HB LYS 10 0.159 24.129 10.157 69 HB3 LYS 10 2HB LYS 10 1.172 25.531 9.849 70 HG2 LYS 10 1HG LYS 10 -1.188 24.641 8.127 71 HG3 LYS 10 2HG LYS 10 -1.222 25.915 9.340 72 HD2 LYS 10 1HD LYS 10 0.525 27.164 7.991 73 HD3 LYS 10 2HD LYS 10 0.310 25.947 6.714 74 HE2 LYS 10 1HE LYS 10 -2.144 26.483 6.690 75 HE3 LYS 10 2HE LYS 10 -1.826 27.795 7.844 76 HZ1 LYS 10 1HZ LYS 10 -1.834 28.727 5.684 77 HZ2 LYS 10 2HZ LYS 10 -0.873 27.551 5.055 78 HZ3 LYS 10 3HZ LYS 10 -0.232 28.662 6.102 79 H GLU 11 H GLU 11 0.497 24.068 6.209 80 HA GLU 11 HA GLU 11 -0.982 21.554 6.366 81 HB2 GLU 11 1HB GLU 11 -0.617 23.634 4.210 82 HB3 GLU 11 2HB GLU 11 -1.573 22.169 3.974 83 HG2 GLU 11 1HG GLU 11 -2.093 24.234 6.138 84 HG3 GLU 11 2HG GLU 11 -2.944 24.165 4.592 85 H HIS 12 H HIS 12 1.971 22.787 4.814 86 HA HIS 12 HA HIS 12 2.432 20.542 3.106 87 HB2 HIS 12 1HB HIS 12 3.731 22.553 2.835 88 HB3 HIS 12 2HB HIS 12 4.287 22.489 4.510 89 HD1 HIS 12 HD1 HIS 12 6.664 21.783 4.660 90 HD2 HIS 12 HD2 HIS 12 4.668 19.875 1.533 91 HE1 HIS 12 HE1 HIS 12 8.337 20.251 3.548 92 H MET 13 H MET 13 3.493 21.168 6.533 93 HA MET 13 HA MET 13 4.759 18.576 6.651 94 HB2 MET 13 1HB MET 13 5.079 18.930 8.973 95 HB3 MET 13 2HB MET 13 5.353 20.470 8.159 96 HG2 MET 13 1HG MET 13 3.110 21.233 8.883 97 HG3 MET 13 2HG MET 13 2.850 19.682 9.690 98 HE1 MET 13 1HE MET 13 5.913 22.303 9.501 99 HE2 MET 13 2HE MET 13 4.442 23.224 9.888 100 HE3 MET 13 3HE MET 13 5.721 23.036 11.110 101 H LYS 14 H LYS 14 1.454 19.737 7.334 102 HA LYS 14 HA LYS 14 0.585 17.353 8.671 103 HB2 LYS 14 1HB LYS 14 -0.653 19.545 8.576 104 HB3 LYS 14 2HB LYS 14 -1.060 19.187 6.896 105 HG2 LYS 14 1HG LYS 14 -2.251 17.124 7.660 106 HG3 LYS 14 2HG LYS 14 -1.854 17.556 9.335 107 HD2 LYS 14 1HD LYS 14 -4.057 18.343 9.026 108 HD3 LYS 14 2HD LYS 14 -3.039 19.789 8.878 109 HE2 LYS 14 1HE LYS 14 -3.114 19.509 6.377 110 HE3 LYS 14 2HE LYS 14 -4.247 18.159 6.601 111 HZ1 LYS 14 1HZ LYS 14 -5.379 20.242 6.162 112 HZ2 LYS 14 2HZ LYS 14 -4.670 20.966 7.453 113 HZ3 LYS 14 3HZ LYS 14 -5.753 19.730 7.692 114 H LYS 15 H LYS 15 0.565 18.333 5.213 115 HA LYS 15 HA LYS 15 -0.610 15.918 4.218 116 HB2 LYS 15 1HB LYS 15 1.151 18.079 3.069 117 HB3 LYS 15 2HB LYS 15 0.967 16.578 2.164 118 HG2 LYS 15 1HG LYS 15 -1.602 17.752 3.072 119 HG3 LYS 15 2HG LYS 15 -0.676 18.768 1.952 120 HD2 LYS 15 1HD LYS 15 -2.026 17.445 0.524 121 HD3 LYS 15 2HD LYS 15 -0.437 16.661 0.474 122 HE2 LYS 15 1HE LYS 15 -1.287 15.088 2.294 123 HE3 LYS 15 2HE LYS 15 -2.904 15.772 2.022 124 HZ1 LYS 15 1HZ LYS 15 -2.399 13.718 0.766 125 HZ2 LYS 15 2HZ LYS 15 -1.246 14.525 -0.079 126 HZ3 LYS 15 3HZ LYS 15 -2.838 14.981 -0.218 127 H MET 16 H MET 16 2.846 16.919 4.387 128 HA MET 16 HA MET 16 3.980 14.535 3.536 129 HB2 MET 16 1HB MET 16 5.223 16.613 4.013 130 HB3 MET 16 2HB MET 16 4.951 16.383 5.741 131 HG2 MET 16 1HG MET 16 6.267 14.276 5.655 132 HG3 MET 16 2HG MET 16 6.576 14.568 3.938 133 HE1 MET 16 1HE MET 16 6.596 16.890 7.242 134 HE2 MET 16 2HE MET 16 7.470 15.385 7.616 135 HE3 MET 16 3HE MET 16 8.353 16.926 7.518 136 H MET 17 H MET 17 3.117 15.307 6.983 137 HA MET 17 HA MET 17 4.087 12.764 7.910 138 HB2 MET 17 1HB MET 17 2.094 14.714 9.099 139 HB3 MET 17 2HB MET 17 2.646 13.249 9.922 140 HG2 MET 17 1HG MET 17 4.987 14.054 9.765 141 HG3 MET 17 2HG MET 17 4.407 15.560 9.042 142 HE1 MET 17 1HE MET 17 1.822 16.417 10.665 143 HE2 MET 17 2HE MET 17 2.579 17.355 11.974 144 HE3 MET 17 3HE MET 17 3.209 17.475 10.316 145 H LYS 18 H LYS 18 0.829 13.806 6.787 146 HA LYS 18 HA LYS 18 -0.349 11.281 7.607 147 HB2 LYS 18 1HB LYS 18 -1.650 13.385 7.372 148 HB3 LYS 18 2HB LYS 18 -1.354 13.368 5.630 149 HG2 LYS 18 1HG LYS 18 -3.599 12.539 6.104 150 HG3 LYS 18 2HG LYS 18 -2.606 11.237 5.435 151 HD2 LYS 18 1HD LYS 18 -2.197 10.400 7.758 152 HD3 LYS 18 2HD LYS 18 -3.284 11.656 8.374 153 HE2 LYS 18 1HE LYS 18 -5.125 10.689 7.051 154 HE3 LYS 18 2HE LYS 18 -4.010 9.461 6.401 155 HZ1 LYS 18 1HZ LYS 18 -4.652 9.811 9.271 156 HZ2 LYS 18 2HZ LYS 18 -3.637 8.671 8.652 157 HZ3 LYS 18 3HZ LYS 18 -5.250 8.617 8.300 158 H ASP 19 H ASP 19 0.943 12.566 4.544 159 HA ASP 19 HA ASP 19 0.068 10.320 2.971 160 HB2 ASP 19 1HB ASP 19 2.337 12.295 2.545 161 HB3 ASP 19 2HB ASP 19 1.739 11.153 1.330 162 H LEU 20 H LEU 20 2.999 11.021 4.931 163 HA LEU 20 HA LEU 20 4.220 8.517 4.029 164 HB2 LEU 20 1HB LEU 20 4.999 10.428 6.235 165 HB3 LEU 20 2HB LEU 20 5.890 8.958 5.825 166 HG LEU 20 HG LEU 20 5.422 11.322 3.985 167 HD11 LEU 20 1HD1 LEU 20 7.033 11.722 5.807 168 HD12 LEU 20 2HD1 LEU 20 7.827 11.683 4.223 169 HD13 LEU 20 3HD1 LEU 20 7.949 10.278 5.309 170 HD21 LEU 20 1HD2 LEU 20 5.495 9.379 2.553 171 HD22 LEU 20 2HD2 LEU 20 6.852 8.682 3.478 172 HD23 LEU 20 3HD2 LEU 20 7.095 10.134 2.482 173 H GLU 21 H GLU 21 2.041 9.440 6.624 174 HA GLU 21 HA GLU 21 2.374 7.028 8.190 175 HB2 GLU 21 1HB GLU 21 0.978 8.971 8.956 176 HB3 GLU 21 2HB GLU 21 -0.125 8.682 7.618 177 HG2 GLU 21 1HG GLU 21 -0.349 6.283 8.702 178 HG3 GLU 21 2HG GLU 21 0.192 7.136 10.155 179 H GLY 22 H GLY 22 0.522 8.030 5.309 180 HA2 GLY 22 1HA GLY 22 -0.732 5.511 4.827 181 HA3 GLY 22 2HA GLY 22 -0.454 6.791 3.635 182 H LEU 23 H LEU 23 2.426 6.862 3.710 183 HA LEU 23 HA LEU 23 3.006 4.671 1.961 184 HB2 LEU 23 1HB LEU 23 4.160 7.025 2.413 185 HB3 LEU 23 2HB LEU 23 5.220 6.054 3.432 186 HG LEU 23 HG LEU 23 4.687 5.558 0.473 187 HD11 LEU 23 1HD1 LEU 23 5.823 7.667 0.796 188 HD12 LEU 23 2HD1 LEU 23 6.965 6.469 0.165 189 HD13 LEU 23 3HD1 LEU 23 7.011 6.903 1.885 190 HD21 LEU 23 1HD2 LEU 23 6.686 4.319 2.415 191 HD22 LEU 23 2HD2 LEU 23 6.821 4.192 0.646 192 HD23 LEU 23 3HD2 LEU 23 5.423 3.492 1.475 193 H HIS 24 H HIS 24 3.654 5.218 5.453 194 HA HIS 24 HA HIS 24 5.095 2.761 5.842 195 HB2 HIS 24 1HB HIS 24 5.036 4.675 7.447 196 HB3 HIS 24 2HB HIS 24 3.357 4.275 7.825 197 HD1 HIS 24 HD1 HIS 24 6.344 1.849 7.493 198 HD2 HIS 24 HD2 HIS 24 3.577 3.242 10.310 199 HE1 HIS 24 HE1 HIS 24 6.663 0.483 9.600 200 H ARG 25 H ARG 25 1.628 3.628 5.769 201 HA ARG 25 HA ARG 25 0.764 0.961 6.520 202 HB2 ARG 25 1HB ARG 25 -0.646 3.293 5.236 203 HB3 ARG 25 2HB ARG 25 -1.427 1.728 5.470 204 HG2 ARG 25 1HG ARG 25 -1.019 1.857 7.875 205 HG3 ARG 25 2HG ARG 25 -0.217 3.422 7.668 206 HD2 ARG 25 1HD ARG 25 -2.290 4.357 6.730 207 HD3 ARG 25 2HD ARG 25 -3.092 2.785 6.967 208 HE ARG 25 HE ARG 25 -1.884 3.758 9.400 209 HH11 ARG 25 1HH1 ARG 25 -4.745 4.146 7.388 210 HH12 ARG 25 2HH1 ARG 25 -5.727 4.694 8.719 211 HH21 ARG 25 1HH2 ARG 25 -3.182 4.469 11.051 212 HH22 ARG 25 2HH2 ARG 25 -4.851 4.867 10.764 213 H ALA 26 H ALA 26 1.910 2.362 3.516 214 HA ALA 26 HA ALA 26 0.787 0.252 1.860 215 HB1 ALA 26 1HB ALA 26 3.209 2.011 1.286 216 HB2 ALA 26 2HB ALA 26 2.246 1.080 0.118 217 HB3 ALA 26 3HB ALA 26 1.522 2.470 0.952 218 H GLU 27 H GLU 27 3.784 0.760 3.784 219 HA GLU 27 HA GLU 27 5.058 -1.687 2.893 220 HB2 GLU 27 1HB GLU 27 5.242 -0.308 5.589 221 HB3 GLU 27 2HB GLU 27 6.309 -1.589 5.020 222 HG2 GLU 27 1HG GLU 27 7.082 -0.136 3.190 223 HG3 GLU 27 2HG GLU 27 6.025 1.162 3.776 224 H GLN 28 H GLN 28 2.758 -0.797 5.413 225 HA GLN 28 HA GLN 28 2.461 -3.438 6.492 226 HB2 GLN 28 1HB GLN 28 0.582 -1.070 6.514 227 HB3 GLN 28 2HB GLN 28 0.296 -2.563 7.395 228 HG2 GLN 28 1HG GLN 28 2.145 -2.204 8.836 229 HG3 GLN 28 2HG GLN 28 2.821 -0.948 7.798 230 HE21 GLN 28 1HE2 GLN 28 1.481 1.354 10.033 231 HE22 GLN 28 2HE2 GLN 28 2.913 0.627 9.344 232 H SER 29 H SER 29 1.135 -1.871 3.547 233 HA SER 29 HA SER 29 -0.879 -3.943 3.268 234 HB2 SER 29 1HB SER 29 -1.372 -3.045 1.119 235 HB3 SER 29 2HB SER 29 -1.132 -1.693 2.238 236 HG SER 29 HG SER 29 -0.066 -1.249 0.338 237 H LEU 30 H LEU 30 2.496 -3.530 2.093 238 HA LEU 30 HA LEU 30 2.710 -5.921 0.418 239 HB2 LEU 30 1HB LEU 30 4.624 -4.648 2.430 240 HB3 LEU 30 2HB LEU 30 4.962 -6.171 1.681 241 HG LEU 30 HG LEU 30 4.803 -4.837 -0.540 242 HD11 LEU 30 1HD1 LEU 30 5.594 -2.604 -0.479 243 HD12 LEU 30 2HD1 LEU 30 5.726 -2.636 1.291 244 HD13 LEU 30 3HD1 LEU 30 4.136 -2.684 0.513 245 HD21 LEU 30 1HD2 LEU 30 7.122 -4.616 1.438 246 HD22 LEU 30 2HD2 LEU 30 7.255 -4.471 -0.329 247 HD23 LEU 30 3HD2 LEU 30 6.776 -6.018 0.399 248 H HIS 31 H HIS 31 3.163 -5.301 3.947 249 HA HIS 31 HA HIS 31 3.452 -8.097 4.488 250 HB2 HIS 31 1HB HIS 31 2.965 -5.816 6.382 251 HB3 HIS 31 2HB HIS 31 3.479 -7.450 6.834 252 HD1 HIS 31 HD1 HIS 31 5.511 -7.784 4.315 253 HD2 HIS 31 HD2 HIS 31 5.396 -4.585 7.045 254 HE1 HIS 31 HE1 HIS 31 7.816 -6.692 4.296 255 H ASP 32 H ASP 32 0.554 -6.057 4.736 256 HA ASP 32 HA ASP 32 -0.985 -8.045 6.140 257 HB2 ASP 32 1HB ASP 32 -1.535 -5.566 5.886 258 HB3 ASP 32 2HB ASP 32 -2.016 -5.922 4.219 259 H LEU 33 H LEU 33 -0.291 -7.300 2.707 260 HA LEU 33 HA LEU 33 -2.139 -9.184 1.628 261 HB2 LEU 33 1HB LEU 33 0.325 -7.816 0.647 262 HB3 LEU 33 2HB LEU 33 -0.167 -9.268 -0.202 263 HG LEU 33 HG LEU 33 -2.184 -7.091 0.277 264 HD11 LEU 33 1HD1 LEU 33 -0.012 -7.112 -1.848 265 HD12 LEU 33 2HD1 LEU 33 -0.395 -5.829 -0.689 266 HD13 LEU 33 3HD1 LEU 33 -1.518 -6.193 -2.011 267 HD21 LEU 33 1HD2 LEU 33 -1.756 -9.130 -1.951 268 HD22 LEU 33 2HD2 LEU 33 -3.131 -8.021 -1.804 269 HD23 LEU 33 3HD2 LEU 33 -2.890 -9.298 -0.603 270 H GLN 34 H GLN 34 1.437 -9.582 2.334 271 HA GLN 34 HA GLN 34 1.166 -12.383 1.667 272 HB2 GLN 34 1HB GLN 34 3.299 -12.710 3.040 273 HB3 GLN 34 2HB GLN 34 3.370 -11.835 1.537 274 HG2 GLN 34 1HG GLN 34 2.936 -10.082 3.863 275 HG3 GLN 34 2HG GLN 34 4.383 -11.059 4.025 276 HE21 GLN 34 1HE2 GLN 34 4.704 -9.042 0.518 277 HE22 GLN 34 2HE2 GLN 34 3.524 -10.311 0.741 278 H GLU 35 H GLU 35 0.814 -10.700 4.821 279 HA GLU 35 HA GLU 35 0.789 -13.159 6.310 280 HB2 GLU 35 1HB GLU 35 1.230 -10.852 7.217 281 HB3 GLU 35 2HB GLU 35 -0.506 -10.535 7.104 282 HG2 GLU 35 1HG GLU 35 0.059 -11.181 9.370 283 HG3 GLU 35 2HG GLU 35 -0.916 -12.461 8.631 284 H ARG 36 H ARG 36 -1.926 -11.118 5.000 285 HA ARG 36 HA ARG 36 -3.896 -12.942 6.120 286 HB2 ARG 36 1HB ARG 36 -4.032 -10.772 4.034 287 HB3 ARG 36 2HB ARG 36 -5.408 -11.837 4.340 288 HG2 ARG 36 1HG ARG 36 -5.630 -11.104 6.590 289 HG3 ARG 36 2HG ARG 36 -4.046 -10.308 6.559 290 HD2 ARG 36 1HD ARG 36 -5.691 -8.605 6.404 291 HD3 ARG 36 2HD ARG 36 -4.886 -8.752 4.840 292 HE ARG 36 HE ARG 36 -7.311 -10.294 4.884 293 HH11 ARG 36 1HH1 ARG 36 -6.113 -6.969 4.580 294 HH12 ARG 36 2HH1 ARG 36 -7.539 -6.474 3.661 295 HH21 ARG 36 1HH2 ARG 36 -9.091 -9.527 3.703 296 HH22 ARG 36 2HH2 ARG 36 -9.124 -7.851 3.183 297 H LEU 37 H LEU 37 -2.034 -12.848 3.085 298 HA LEU 37 HA LEU 37 -3.600 -14.931 1.820 299 HB2 LEU 37 1HB LEU 37 -1.993 -13.443 0.663 300 HB3 LEU 37 2HB LEU 37 -0.659 -14.220 1.504 301 HG LEU 37 HG LEU 37 -2.454 -15.996 -0.080 302 HD11 LEU 37 1HD1 LEU 37 -0.473 -14.076 -1.368 303 HD12 LEU 37 2HD1 LEU 37 -2.243 -13.989 -1.499 304 HD13 LEU 37 3HD1 LEU 37 -1.384 -15.375 -2.189 305 HD21 LEU 37 1HD2 LEU 37 -0.242 -16.982 -0.689 306 HD22 LEU 37 2HD2 LEU 37 -0.505 -16.930 1.061 307 HD23 LEU 37 3HD2 LEU 37 0.564 -15.736 0.284 308 H HIS 38 H HIS 38 -0.662 -14.907 3.900 309 HA HIS 38 HA HIS 38 -0.285 -17.729 4.009 310 HB2 HIS 38 1HB HIS 38 1.470 -16.567 5.014 311 HB3 HIS 38 2HB HIS 38 0.392 -15.438 5.834 312 HD1 HIS 38 HD1 HIS 38 1.382 -19.153 6.092 313 HD2 HIS 38 HD2 HIS 38 -0.082 -16.021 8.462 314 HE1 HIS 38 HE1 HIS 38 1.245 -20.031 8.486 315 H LYS 39 H LYS 39 -2.319 -15.563 6.037 316 HA LYS 39 HA LYS 39 -3.306 -17.674 7.713 317 HB2 LYS 39 1HB LYS 39 -3.368 -15.141 8.066 318 HB3 LYS 39 2HB LYS 39 -4.777 -15.109 7.001 319 HG2 LYS 39 1HG LYS 39 -4.809 -17.020 9.308 320 HG3 LYS 39 2HG LYS 39 -4.945 -15.293 9.671 321 HD2 LYS 39 1HD LYS 39 -6.898 -15.105 8.185 322 HD3 LYS 39 2HD LYS 39 -6.764 -16.829 7.778 323 HE2 LYS 39 1HE LYS 39 -7.036 -17.404 10.166 324 HE3 LYS 39 2HE LYS 39 -7.247 -15.688 10.551 325 HZ1 LYS 39 1HZ LYS 39 -8.991 -17.053 8.604 326 HZ2 LYS 39 2HZ LYS 39 -9.284 -15.658 9.432 327 HZ3 LYS 39 3HZ LYS 39 -9.310 -17.117 10.218 328 H ALA 40 H ALA 40 -4.476 -16.297 4.623 329 HA ALA 40 HA ALA 40 -6.917 -17.772 4.538 330 HB1 ALA 40 1HB ALA 40 -6.897 -17.290 2.125 331 HB2 ALA 40 2HB ALA 40 -6.422 -15.839 3.037 332 HB3 ALA 40 3HB ALA 40 -5.186 -16.818 2.211 333 H GLN 41 H GLN 41 -3.523 -18.607 3.646 334 HA GLN 41 HA GLN 41 -4.460 -21.183 2.634 335 HB2 GLN 41 1HB GLN 41 -2.186 -19.916 2.240 336 HB3 GLN 41 2HB GLN 41 -1.672 -20.775 3.693 337 HG2 GLN 41 1HG GLN 41 -2.819 -22.078 1.198 338 HG3 GLN 41 2HG GLN 41 -1.094 -21.937 1.561 339 HE21 GLN 41 1HE2 GLN 41 -3.066 -25.087 2.874 340 HE22 GLN 41 2HE2 GLN 41 -3.607 -24.016 1.595 341 H GLU 42 H GLU 42 -2.716 -20.225 5.643 342 HA GLU 42 HA GLU 42 -2.630 -22.710 6.838 343 HB2 GLU 42 1HB GLU 42 -1.550 -20.536 7.510 344 HB3 GLU 42 2HB GLU 42 -3.054 -20.092 8.318 345 HG2 GLU 42 1HG GLU 42 -2.805 -21.864 9.910 346 HG3 GLU 42 2HG GLU 42 -1.520 -22.623 8.950 347 H GLU 43 H GLU 43 -5.327 -20.364 7.182 348 HA GLU 43 HA GLU 43 -6.795 -22.449 8.697 349 HB2 GLU 43 1HB GLU 43 -6.669 -20.059 9.466 350 HB3 GLU 43 2HB GLU 43 -7.646 -19.607 8.065 351 HG2 GLU 43 1HG GLU 43 -9.491 -21.020 8.876 352 HG3 GLU 43 2HG GLU 43 -8.498 -21.555 10.245 353 H HIS 44 H HIS 44 -7.080 -20.570 5.625 354 HA HIS 44 HA HIS 44 -9.641 -22.003 5.173 355 HB2 HIS 44 1HB HIS 44 -8.663 -19.629 3.590 356 HB3 HIS 44 2HB HIS 44 -10.281 -20.312 3.652 357 HD1 HIS 44 HD1 HIS 44 -11.068 -20.380 6.507 358 HD2 HIS 44 HD2 HIS 44 -8.639 -17.354 4.998 359 HE1 HIS 44 HE1 HIS 44 -11.267 -18.424 8.092 360 H ARG 45 H ARG 45 -6.533 -22.453 4.251 361 HA ARG 45 HA ARG 45 -5.549 -23.871 2.815 362 HB2 ARG 45 1HB ARG 45 -7.943 -25.060 3.149 363 HB3 ARG 45 2HB ARG 45 -7.982 -24.789 1.401 364 HG2 ARG 45 1HG ARG 45 -5.490 -25.813 1.637 365 HG3 ARG 45 2HG ARG 45 -6.262 -26.599 3.027 366 HD2 ARG 45 1HD ARG 45 -7.176 -26.661 0.132 367 HD3 ARG 45 2HD ARG 45 -6.453 -28.004 1.037 368 HE ARG 45 HE ARG 45 -8.720 -27.256 2.483 369 HH11 ARG 45 1HH1 ARG 45 -8.086 -28.450 -0.761 370 HH12 ARG 45 2HH1 ARG 45 -9.688 -29.112 -0.956 371 HH21 ARG 45 1HH2 ARG 45 -10.742 -28.191 2.208 372 HH22 ARG 45 2HH2 ARG 45 -11.138 -28.999 0.713 373 H THR 46 H THR 46 -8.043 -21.982 1.268 374 HA THR 46 HA THR 46 -8.183 -20.796 -0.625 375 HB THR 46 HB THR 46 -6.340 -19.889 -1.814 376 HG1 THR 46 HG1 THR 46 -4.973 -22.148 -0.814 377 HG21 THR 46 1HG2 THR 46 -6.595 -19.264 0.653 378 HG22 THR 46 2HG2 THR 46 -5.042 -18.899 -0.121 379 HG23 THR 46 3HG2 THR 46 -5.189 -20.310 0.935 380 H VAL 47 H VAL 47 -8.667 -20.974 -2.743 381 HA VAL 47 HA VAL 47 -8.955 -23.637 -3.744 382 HB VAL 47 HB VAL 47 -10.477 -21.692 -4.225 383 HG11 VAL 47 1HG1 VAL 47 -9.966 -20.124 -6.011 384 HG12 VAL 47 2HG1 VAL 47 -8.736 -19.995 -4.742 385 HG13 VAL 47 3HG1 VAL 47 -8.370 -20.864 -6.253 386 HG21 VAL 47 1HG2 VAL 47 -9.447 -23.101 -6.712 387 HG22 VAL 47 2HG2 VAL 47 -10.561 -23.811 -5.522 388 HG23 VAL 47 3HG2 VAL 47 -11.065 -22.396 -6.474 389 H GLU 48 H GLU 48 -6.450 -21.300 -3.893 390 HA GLU 48 HA GLU 48 -5.045 -22.715 -6.086 391 HB2 GLU 48 1HB GLU 48 -4.394 -20.180 -4.531 392 HB3 GLU 48 2HB GLU 48 -3.427 -20.835 -5.864 393 HG2 GLU 48 1HG GLU 48 -5.289 -20.516 -7.408 394 HG3 GLU 48 2HG GLU 48 -6.296 -19.896 -6.088 395 H VAL 49 H VAL 49 -5.482 -24.224 -3.722 396 HA VAL 49 HA VAL 49 -3.480 -24.044 -1.771 397 HB VAL 49 HB VAL 49 -5.449 -25.571 -1.664 398 HG11 VAL 49 1HG1 VAL 49 -3.910 -27.366 -3.584 399 HG12 VAL 49 2HG1 VAL 49 -5.449 -27.745 -2.779 400 HG13 VAL 49 3HG1 VAL 49 -5.379 -26.444 -3.983 401 HG21 VAL 49 1HG2 VAL 49 -4.366 -27.411 -0.506 402 HG22 VAL 49 2HG2 VAL 49 -2.825 -27.053 -1.302 403 HG23 VAL 49 3HG2 VAL 49 -3.523 -25.892 -0.147 404 H GLU 50 H GLU 50 -1.403 -24.618 -1.585 405 HA GLU 50 HA GLU 50 0.769 -24.981 -2.125 406 HB2 GLU 50 1HB GLU 50 -0.311 -26.841 -4.262 407 HB3 GLU 50 2HB GLU 50 1.378 -26.709 -3.780 408 HG2 GLU 50 1HG GLU 50 0.780 -27.403 -1.485 409 HG3 GLU 50 2HG GLU 50 -0.906 -27.576 -1.989 410 H LYS 51 H LYS 51 -1.217 -23.331 -4.238 411 HA LYS 51 HA LYS 51 1.108 -22.512 -5.968 412 HB2 LYS 51 1HB LYS 51 -0.795 -23.980 -6.926 413 HB3 LYS 51 2HB LYS 51 -1.827 -22.568 -6.721 414 HG2 LYS 51 1HG LYS 51 -0.239 -21.316 -8.254 415 HG3 LYS 51 2HG LYS 51 0.552 -22.872 -8.576 416 HD2 LYS 51 1HD LYS 51 -1.591 -23.799 -9.337 417 HD3 LYS 51 2HD LYS 51 -2.408 -22.279 -8.917 418 HE2 LYS 51 1HE LYS 51 -0.940 -21.088 -10.545 419 HE3 LYS 51 2HE LYS 51 -0.291 -22.667 -11.055 420 HZ1 LYS 51 1HZ LYS 51 -3.141 -21.847 -11.157 421 HZ2 LYS 51 2HZ LYS 51 -2.563 -23.322 -11.619 422 HZ3 LYS 51 3HZ LYS 51 -2.135 -21.967 -12.459 423 H VAL 52 H VAL 52 -0.716 -21.509 -3.483 424 HA VAL 52 HA VAL 52 -2.262 -19.378 -4.089 425 HB VAL 52 HB VAL 52 -0.514 -18.882 -1.730 426 HG11 VAL 52 1HG1 VAL 52 -2.618 -17.644 -2.159 427 HG12 VAL 52 2HG1 VAL 52 -3.521 -19.174 -2.103 428 HG13 VAL 52 3HG1 VAL 52 -2.697 -18.571 -0.644 429 HG21 VAL 52 1HG2 VAL 52 -0.455 -21.323 -1.675 430 HG22 VAL 52 2HG2 VAL 52 -1.553 -20.720 -0.431 431 HG23 VAL 52 3HG2 VAL 52 -2.226 -21.394 -1.921 432 H HIS 53 H HIS 53 1.304 -19.046 -3.858 433 HA HIS 53 HA HIS 53 0.907 -16.479 -5.180 434 HB2 HIS 53 1HB HIS 53 2.127 -15.127 -3.572 435 HB3 HIS 53 2HB HIS 53 0.720 -15.873 -2.822 436 HD1 HIS 53 HD1 HIS 53 4.107 -15.164 -2.053 437 HD2 HIS 53 HD2 HIS 53 1.637 -18.467 -1.471 438 HE1 HIS 53 HE1 HIS 53 5.169 -16.566 -0.233 439 H LEU 54 H LEU 54 3.545 -18.252 -3.550 440 HA LEU 54 HA LEU 54 5.708 -18.610 -4.142 441 HB2 LEU 54 1HB LEU 54 4.749 -18.498 -7.019 442 HB3 LEU 54 2HB LEU 54 6.208 -19.274 -6.421 443 HG LEU 54 HG LEU 54 3.378 -20.166 -5.747 444 HD11 LEU 54 1HD1 LEU 54 3.874 -20.435 -8.132 445 HD12 LEU 54 2HD1 LEU 54 3.809 -22.009 -7.314 446 HD13 LEU 54 3HD1 LEU 54 5.383 -21.297 -7.737 447 HD21 LEU 54 1HD2 LEU 54 4.480 -22.241 -4.965 448 HD22 LEU 54 2HD2 LEU 54 5.001 -20.834 -4.022 449 HD23 LEU 54 3HD2 LEU 54 6.074 -21.512 -5.271 450 H GLU 55 H GLU 55 7.423 -17.708 -6.007 451 HA GLU 55 HA GLU 55 7.962 -15.088 -5.123 452 HB2 GLU 55 1HB GLU 55 9.619 -16.675 -6.072 453 HB3 GLU 55 2HB GLU 55 8.920 -16.461 -7.671 454 HG2 GLU 55 1HG GLU 55 9.845 -13.993 -6.204 455 HG3 GLU 55 2HG GLU 55 11.081 -15.108 -6.793 456 H LYS 56 H LYS 56 6.325 -16.211 -8.103 457 HA LYS 56 HA LYS 56 6.343 -13.679 -9.357 458 HB2 LYS 56 1HB LYS 56 4.423 -16.003 -9.696 459 HB3 LYS 56 2HB LYS 56 4.529 -14.603 -10.780 460 HG2 LYS 56 1HG LYS 56 6.926 -15.148 -11.197 461 HG3 LYS 56 2HG LYS 56 6.746 -16.605 -10.204 462 HD2 LYS 56 1HD LYS 56 5.002 -17.430 -11.753 463 HD3 LYS 56 2HD LYS 56 5.230 -15.978 -12.757 464 HE2 LYS 56 1HE LYS 56 7.625 -16.587 -13.060 465 HE3 LYS 56 2HE LYS 56 7.361 -18.058 -12.104 466 HZ1 LYS 56 1HZ LYS 56 7.246 -18.505 -14.474 467 HZ2 LYS 56 2HZ LYS 56 6.020 -17.419 -14.671 468 HZ3 LYS 56 3HZ LYS 56 5.775 -18.789 -13.784 469 H LYS 57 H LYS 57 3.629 -15.126 -7.388 470 HA LYS 57 HA LYS 57 2.175 -12.616 -7.791 471 HB2 LYS 57 1HB LYS 57 1.145 -14.948 -7.444 472 HB3 LYS 57 2HB LYS 57 1.484 -14.678 -5.736 473 HG2 LYS 57 1HG LYS 57 0.101 -12.442 -7.042 474 HG3 LYS 57 2HG LYS 57 -0.823 -13.954 -7.016 475 HD2 LYS 57 1HD LYS 57 -0.742 -14.084 -4.627 476 HD3 LYS 57 2HD LYS 57 0.486 -12.801 -4.530 477 HE2 LYS 57 1HE LYS 57 -1.107 -11.186 -5.464 478 HE3 LYS 57 2HE LYS 57 -2.346 -12.448 -5.554 479 HZ1 LYS 57 1HZ LYS 57 -1.063 -11.682 -3.006 480 HZ2 LYS 57 2HZ LYS 57 -2.462 -12.540 -3.232 481 HZ3 LYS 57 3HZ LYS 57 -2.415 -10.924 -3.587 482 H LEU 58 H LEU 58 4.340 -13.998 -5.280 483 HA LEU 58 HA LEU 58 3.727 -12.029 -3.276 484 HB2 LEU 58 1HB LEU 58 5.237 -13.980 -2.917 485 HB3 LEU 58 2HB LEU 58 6.407 -13.272 -4.021 486 HG LEU 58 HG LEU 58 6.678 -11.351 -2.430 487 HD11 LEU 58 1HD1 LEU 58 4.568 -11.497 -1.211 488 HD12 LEU 58 2HD1 LEU 58 5.925 -11.703 -0.091 489 HD13 LEU 58 3HD1 LEU 58 4.987 -13.118 -0.617 490 HD21 LEU 58 1HD2 LEU 58 8.243 -13.251 -2.505 491 HD22 LEU 58 2HD2 LEU 58 7.231 -14.143 -1.341 492 HD23 LEU 58 3HD2 LEU 58 8.055 -12.647 -0.846 493 H ARG 59 H ARG 59 6.032 -12.091 -5.987 494 HA ARG 59 HA ARG 59 7.095 -9.487 -5.695 495 HB2 ARG 59 1HB ARG 59 8.016 -11.327 -7.047 496 HB3 ARG 59 2HB ARG 59 6.676 -11.188 -8.176 497 HG2 ARG 59 1HG ARG 59 7.476 -9.111 -9.000 498 HG3 ARG 59 2HG ARG 59 8.689 -8.992 -7.691 499 HD2 ARG 59 1HD ARG 59 9.810 -10.998 -8.470 500 HD3 ARG 59 2HD ARG 59 8.546 -11.303 -9.669 501 HE ARG 59 HE ARG 59 9.597 -8.792 -10.286 502 HH11 ARG 59 1HH1 ARG 59 10.871 -12.098 -10.084 503 HH12 ARG 59 2HH1 ARG 59 12.032 -11.804 -11.362 504 HH21 ARG 59 1HH2 ARG 59 11.118 -8.515 -11.887 505 HH22 ARG 59 2HH2 ARG 59 12.188 -9.815 -12.331 506 H ASP 60 H ASP 60 4.153 -10.588 -7.505 507 HA ASP 60 HA ASP 60 3.754 -7.894 -8.507 508 HB2 ASP 60 1HB ASP 60 2.885 -9.958 -9.639 509 HB3 ASP 60 2HB ASP 60 1.643 -10.038 -8.376 510 H GLU 61 H GLU 61 2.416 -9.665 -5.664 511 HA GLU 61 HA GLU 61 0.406 -7.655 -5.191 512 HB2 GLU 61 1HB GLU 61 -0.099 -8.792 -3.241 513 HB3 GLU 61 2HB GLU 61 0.563 -10.056 -4.260 514 HG2 GLU 61 1HG GLU 61 2.758 -9.729 -3.039 515 HG3 GLU 61 2HG GLU 61 1.911 -8.667 -1.923 516 H ILE 62 H ILE 62 3.785 -8.119 -3.966 517 HA ILE 62 HA ILE 62 3.592 -5.598 -2.574 518 HB ILE 62 HB ILE 62 5.841 -5.798 -2.004 519 HG12 ILE 62 1HG1 ILE 62 6.153 -7.965 -4.064 520 HG13 ILE 62 2HG1 ILE 62 6.867 -6.356 -4.102 521 HG21 ILE 62 1HG2 ILE 62 5.734 -7.833 -0.731 522 HG22 ILE 62 2HG2 ILE 62 4.046 -7.363 -0.998 523 HG23 ILE 62 3HG2 ILE 62 4.772 -8.655 -1.977 524 HD11 ILE 62 1HD1 ILE 62 8.572 -7.791 -3.279 525 HD12 ILE 62 2HD1 ILE 62 7.924 -6.945 -1.841 526 HD13 ILE 62 3HD1 ILE 62 7.442 -8.620 -2.182 527 H ASN 63 H ASN 63 4.198 -6.436 -5.895 528 HA ASN 63 HA ASN 63 5.526 -3.939 -6.595 529 HB2 ASN 63 1HB ASN 63 5.570 -5.776 -8.200 530 HB3 ASN 63 2HB ASN 63 3.809 -5.843 -8.219 531 HD21 ASN 63 1HD2 ASN 63 3.668 -3.823 -10.971 532 HD22 ASN 63 2HD2 ASN 63 3.143 -5.272 -10.134 533 H LEU 64 H LEU 64 2.153 -5.122 -6.414 534 HA LEU 64 HA LEU 64 0.882 -2.694 -7.230 535 HB2 LEU 64 1HB LEU 64 -0.356 -4.767 -7.084 536 HB3 LEU 64 2HB LEU 64 0.064 -4.957 -5.396 537 HG LEU 64 HG LEU 64 -1.304 -2.960 -4.825 538 HD11 LEU 64 1HD1 LEU 64 -1.973 -3.121 -7.780 539 HD12 LEU 64 2HD1 LEU 64 -1.418 -1.717 -6.843 540 HD13 LEU 64 3HD1 LEU 64 -3.052 -2.356 -6.591 541 HD21 LEU 64 1HD2 LEU 64 -3.409 -4.180 -5.035 542 HD22 LEU 64 2HD2 LEU 64 -2.085 -5.251 -4.560 543 HD23 LEU 64 3HD2 LEU 64 -2.676 -5.267 -6.231 544 H ALA 65 H ALA 65 1.820 -3.950 -3.970 545 HA ALA 65 HA ALA 65 0.935 -1.623 -2.564 546 HB1 ALA 65 1HB ALA 65 3.265 -3.441 -1.889 547 HB2 ALA 65 2HB ALA 65 2.368 -2.380 -0.774 548 HB3 ALA 65 3HB ALA 65 1.556 -3.774 -1.515 549 H LYS 66 H LYS 66 3.924 -2.227 -4.414 550 HA LYS 66 HA LYS 66 5.213 0.209 -3.472 551 HB2 LYS 66 1HB LYS 66 5.767 -1.678 -5.755 552 HB3 LYS 66 2HB LYS 66 6.691 -0.187 -5.532 553 HG2 LYS 66 1HG LYS 66 7.626 -0.907 -3.503 554 HG3 LYS 66 2HG LYS 66 6.364 -2.119 -3.248 555 HD2 LYS 66 1HD LYS 66 7.236 -3.330 -5.285 556 HD3 LYS 66 2HD LYS 66 8.634 -2.233 -5.249 557 HE2 LYS 66 1HE LYS 66 9.170 -2.979 -2.969 558 HE3 LYS 66 2HE LYS 66 7.704 -3.985 -2.937 559 HZ1 LYS 66 1HZ LYS 66 9.662 -5.289 -3.469 560 HZ2 LYS 66 2HZ LYS 66 9.978 -4.357 -4.796 561 HZ3 LYS 66 3HZ LYS 66 8.615 -5.286 -4.745 562 H GLN 67 H GLN 67 2.852 -0.503 -6.004 563 HA GLN 67 HA GLN 67 3.292 2.032 -7.385 564 HB2 GLN 67 1HB GLN 67 0.747 0.349 -7.268 565 HB3 GLN 67 2HB GLN 67 1.066 1.689 -8.367 566 HG2 GLN 67 1HG GLN 67 2.374 -1.030 -8.347 567 HG3 GLN 67 2HG GLN 67 1.352 -0.335 -9.595 568 HE21 GLN 67 1HE2 GLN 67 5.236 -0.016 -9.996 569 HE22 GLN 67 2HE2 GLN 67 4.379 -1.239 -9.085 570 H GLU 68 H GLU 68 1.017 0.761 -4.896 571 HA GLU 68 HA GLU 68 -0.264 3.161 -4.186 572 HB2 GLU 68 1HB GLU 68 -0.571 0.758 -3.294 573 HB3 GLU 68 2HB GLU 68 0.788 1.095 -2.235 574 HG2 GLU 68 1HG GLU 68 -0.583 3.134 -1.477 575 HG3 GLU 68 2HG GLU 68 -1.944 2.267 -2.202 576 H ALA 69 H ALA 69 2.860 1.837 -2.919 577 HA ALA 69 HA ALA 69 3.436 4.017 -1.212 578 HB1 ALA 69 1HB ALA 69 4.617 1.843 -1.178 579 HB2 ALA 69 2HB ALA 69 5.413 2.261 -2.716 580 HB3 ALA 69 3HB ALA 69 5.745 3.216 -1.256 581 H GLN 70 H GLN 70 4.167 3.671 -4.716 582 HA GLN 70 HA GLN 70 5.882 5.953 -4.926 583 HB2 GLN 70 1HB GLN 70 4.854 4.048 -6.683 584 HB3 GLN 70 2HB GLN 70 4.042 5.521 -7.200 585 HG2 GLN 70 1HG GLN 70 7.010 4.967 -7.101 586 HG3 GLN 70 2HG GLN 70 6.010 5.300 -8.521 587 HE21 GLN 70 1HE2 GLN 70 5.878 8.865 -7.859 588 HE22 GLN 70 2HE2 GLN 70 4.885 7.557 -8.436 589 H ARG 71 H ARG 71 2.371 5.518 -5.264 590 HA ARG 71 HA ARG 71 1.775 8.235 -5.919 591 HB2 ARG 71 1HB ARG 71 0.146 6.050 -4.581 592 HB3 ARG 71 2HB ARG 71 -0.524 7.597 -5.112 593 HG2 ARG 71 1HG ARG 71 -0.016 7.120 -7.398 594 HG3 ARG 71 2HG ARG 71 0.923 5.689 -6.972 595 HD2 ARG 71 1HD ARG 71 -0.945 4.416 -6.515 596 HD3 ARG 71 2HD ARG 71 -1.952 5.839 -6.138 597 HE ARG 71 HE ARG 71 -1.573 6.388 -8.667 598 HH11 ARG 71 1HH1 ARG 71 -2.179 3.139 -7.382 599 HH12 ARG 71 2HH1 ARG 71 -2.905 2.604 -8.871 600 HH21 ARG 71 1HH2 ARG 71 -2.480 5.649 -10.475 601 HH22 ARG 71 2HH2 ARG 71 -3.085 4.015 -10.608 602 H LEU 72 H LEU 72 2.177 6.532 -2.792 603 HA LEU 72 HA LEU 72 1.282 8.795 -1.262 604 HB2 LEU 72 1HB LEU 72 2.761 6.274 -0.591 605 HB3 LEU 72 2HB LEU 72 2.378 7.512 0.628 606 HG LEU 72 HG LEU 72 0.198 6.567 -1.225 607 HD11 LEU 72 1HD1 LEU 72 1.152 4.490 -0.449 608 HD12 LEU 72 2HD1 LEU 72 -0.426 4.774 0.301 609 HD13 LEU 72 3HD1 LEU 72 1.057 5.052 1.217 610 HD21 LEU 72 1HD2 LEU 72 0.230 7.467 1.674 611 HD22 LEU 72 2HD2 LEU 72 -1.221 7.026 0.745 612 HD23 LEU 72 3HD2 LEU 72 -0.261 8.441 0.277 613 H LYS 73 H LYS 73 4.438 7.803 -2.584 614 HA LYS 73 HA LYS 73 5.935 9.865 -1.172 615 HB2 LYS 73 1HB LYS 73 6.404 8.690 -3.936 616 HB3 LYS 73 2HB LYS 73 7.541 9.714 -3.079 617 HG2 LYS 73 1HG LYS 73 7.988 8.026 -1.468 618 HG3 LYS 73 2HG LYS 73 6.618 7.053 -2.032 619 HD2 LYS 73 1HD LYS 73 7.694 6.994 -4.292 620 HD3 LYS 73 2HD LYS 73 9.140 7.701 -3.558 621 HE2 LYS 73 1HE LYS 73 9.354 5.769 -2.084 622 HE3 LYS 73 2HE LYS 73 7.809 5.112 -2.693 623 HZ1 LYS 73 1HZ LYS 73 9.672 4.120 -3.859 624 HZ2 LYS 73 2HZ LYS 73 10.232 5.602 -4.328 625 HZ3 LYS 73 3HZ LYS 73 8.794 5.046 -4.908 626 H GLU 74 H GLU 74 4.260 9.699 -4.346 627 HA GLU 74 HA GLU 74 5.013 12.336 -5.140 628 HB2 GLU 74 1HB GLU 74 4.081 10.370 -6.494 629 HB3 GLU 74 2HB GLU 74 2.477 10.936 -6.023 630 HG2 GLU 74 1HG GLU 74 2.718 12.961 -7.222 631 HG3 GLU 74 2HG GLU 74 4.482 12.823 -7.271 632 H LEU 75 H LEU 75 2.170 11.097 -3.376 633 HA LEU 75 HA LEU 75 0.752 13.567 -3.128 634 HB2 LEU 75 1HB LEU 75 0.947 11.008 -1.551 635 HB3 LEU 75 2HB LEU 75 0.104 12.372 -0.844 636 HG LEU 75 HG LEU 75 -0.719 11.506 -3.590 637 HD11 LEU 75 1HD1 LEU 75 -2.282 9.864 -2.604 638 HD12 LEU 75 2HD1 LEU 75 -1.517 10.090 -1.012 639 HD13 LEU 75 3HD1 LEU 75 -0.600 9.383 -2.360 640 HD21 LEU 75 1HD2 LEU 75 -2.898 12.229 -2.713 641 HD22 LEU 75 2HD2 LEU 75 -1.686 13.502 -2.503 642 HD23 LEU 75 3HD2 LEU 75 -2.187 12.495 -1.119 643 H ARG 76 H ARG 76 3.260 12.012 -1.109 644 HA ARG 76 HA ARG 76 3.308 13.934 0.975 645 HB2 ARG 76 1HB ARG 76 4.387 11.819 1.276 646 HB3 ARG 76 2HB ARG 76 5.404 12.043 -0.138 647 HG2 ARG 76 1HG ARG 76 5.701 14.030 2.046 648 HG3 ARG 76 2HG ARG 76 6.296 12.401 2.340 649 HD2 ARG 76 1HD ARG 76 7.768 12.481 0.437 650 HD3 ARG 76 2HD ARG 76 7.051 13.998 -0.112 651 HE ARG 76 HE ARG 76 8.107 15.183 1.626 652 HH11 ARG 76 1HH1 ARG 76 9.056 11.785 1.643 653 HH12 ARG 76 2HH1 ARG 76 10.426 12.073 2.683 654 HH21 ARG 76 1HH2 ARG 76 9.852 15.475 2.955 655 HH22 ARG 76 2HH2 ARG 76 10.873 14.135 3.401 656 H GLU 77 H GLU 77 4.855 14.037 -2.239 657 HA GLU 77 HA GLU 77 6.476 16.336 -1.417 658 HB2 GLU 77 1HB GLU 77 6.018 15.073 -4.135 659 HB3 GLU 77 2HB GLU 77 7.092 16.450 -3.826 660 HG2 GLU 77 1HG GLU 77 8.178 14.937 -2.019 661 HG3 GLU 77 2HG GLU 77 7.381 13.602 -2.858 662 H GLY 78 H GLY 78 3.229 16.089 -1.881 663 HA2 GLY 78 1HA GLY 78 2.794 18.517 -3.416 664 HA3 GLY 78 2HA GLY 78 1.603 17.637 -2.443 665 H THR 79 H THR 79 1.466 20.336 -2.390 666 HA THR 79 HA THR 79 2.414 20.938 0.369 667 HB THR 79 HB THR 79 3.960 22.002 -1.340 668 HG1 THR 79 HG1 THR 79 4.014 23.042 0.520 669 HG21 THR 79 1HG2 THR 79 1.531 23.726 -1.990 670 HG22 THR 79 2HG2 THR 79 2.297 22.550 -3.085 671 HG23 THR 79 3HG2 THR 79 3.197 23.982 -2.550 672 H GLU 80 H GLU 80 1.254 23.439 0.631 673 HA GLU 80 HA GLU 80 -1.441 22.751 1.191 674 HB2 GLU 80 1HB GLU 80 -0.069 24.510 2.272 675 HB3 GLU 80 2HB GLU 80 -0.202 25.502 0.825 676 HG2 GLU 80 1HG GLU 80 -2.550 25.834 1.160 677 HG3 GLU 80 2HG GLU 80 -2.609 24.579 2.407 678 H ASN 81 H ASN 81 -3.161 22.656 0.042 679 HA ASN 81 HA ASN 81 -4.725 22.833 -1.575 680 HB2 ASN 81 1HB ASN 81 -4.620 25.241 -1.309 681 HB3 ASN 81 2HB ASN 81 -3.233 25.345 -2.397 682 HD21 ASN 81 1HD2 ASN 81 -6.992 25.102 -3.876 683 HD22 ASN 81 2HD2 ASN 81 -6.666 24.985 -2.164 684 H GLU 82 H GLU 82 -5.222 22.007 -3.525 685 HA GLU 82 HA GLU 82 -3.092 20.896 -5.151 686 HB2 GLU 82 1HB GLU 82 -6.096 21.116 -5.547 687 HB3 GLU 82 2HB GLU 82 -4.999 20.304 -6.669 688 HG2 GLU 82 1HG GLU 82 -4.275 18.836 -4.748 689 HG3 GLU 82 2HG GLU 82 -5.634 19.516 -3.829 690 H ARG 83 H ARG 83 -2.087 23.086 -5.345 691 HA ARG 83 HA ARG 83 -3.225 25.032 -7.170 692 HB2 ARG 83 1HB ARG 83 -0.333 24.530 -6.337 693 HB3 ARG 83 2HB ARG 83 -0.943 25.987 -7.142 694 HG2 ARG 83 1HG ARG 83 -2.525 26.242 -5.141 695 HG3 ARG 83 2HG ARG 83 -1.521 25.033 -4.323 696 HD2 ARG 83 1HD ARG 83 -0.498 27.623 -5.517 697 HD3 ARG 83 2HD ARG 83 -0.932 27.406 -3.812 698 HE ARG 83 HE ARG 83 0.892 25.392 -4.292 699 HH11 ARG 83 1HH1 ARG 83 0.967 28.902 -4.635 700 HH12 ARG 83 2HH1 ARG 83 2.690 29.006 -4.339 701 HH21 ARG 83 1HH2 ARG 83 3.102 25.605 -3.914 702 HH22 ARG 83 2HH2 ARG 83 3.858 27.192 -3.950 703 H SER 84 H SER 84 -1.437 25.587 -9.092 704 HA SER 84 HA SER 84 -1.996 23.817 -11.174 705 HB2 SER 84 1HB SER 84 0.481 25.562 -10.914 706 HB3 SER 84 2HB SER 84 -0.274 24.997 -12.423 707 HG SER 84 HG SER 84 -0.914 27.135 -11.898 708 H ARG 85 H ARG 85 -1.011 22.116 -12.107 709 HA ARG 85 HA ARG 85 0.110 20.161 -12.275 710 HB2 ARG 85 1HB ARG 85 2.321 21.641 -10.829 711 HB3 ARG 85 2HB ARG 85 2.456 19.974 -11.372 712 HG2 ARG 85 1HG ARG 85 1.979 20.692 -13.685 713 HG3 ARG 85 2HG ARG 85 1.981 22.384 -13.140 714 HD2 ARG 85 1HD ARG 85 4.285 22.226 -12.441 715 HD3 ARG 85 2HD ARG 85 4.300 20.471 -12.677 716 HE ARG 85 HE ARG 85 4.518 22.546 -14.746 717 HH11 ARG 85 1HH1 ARG 85 4.064 19.095 -14.107 718 HH12 ARG 85 2HH1 ARG 85 4.521 18.644 -15.726 719 HH21 ARG 85 1HH2 ARG 85 5.099 21.885 -16.790 720 HH22 ARG 85 2HH2 ARG 85 5.100 20.194 -17.209 721 H GLN 86 H GLN 86 -0.822 21.224 -9.155 722 HA GLN 86 HA GLN 86 -0.286 18.474 -8.086 723 HB2 GLN 86 1HB GLN 86 0.402 20.677 -6.859 724 HB3 GLN 86 2HB GLN 86 -1.320 20.834 -6.505 725 HG2 GLN 86 1HG GLN 86 -1.238 18.567 -5.424 726 HG3 GLN 86 2HG GLN 86 0.509 18.546 -5.689 727 HE21 GLN 86 1HE2 GLN 86 -0.871 20.112 -2.359 728 HE22 GLN 86 2HE2 GLN 86 -1.647 18.899 -3.364 729 H LYS 87 H LYS 87 -2.377 19.726 -10.023 730 HA LYS 87 HA LYS 87 -4.910 19.685 -8.700 731 HB2 LYS 87 1HB LYS 87 -3.976 19.731 -11.568 732 HB3 LYS 87 2HB LYS 87 -5.691 19.533 -11.213 733 HG2 LYS 87 1HG LYS 87 -4.032 21.856 -10.202 734 HG3 LYS 87 2HG LYS 87 -5.031 21.887 -11.670 735 HD2 LYS 87 1HD LYS 87 -7.030 21.302 -10.297 736 HD3 LYS 87 2HD LYS 87 -6.021 21.349 -8.843 737 HE2 LYS 87 1HE LYS 87 -5.410 23.757 -9.660 738 HE3 LYS 87 2HE LYS 87 -6.940 23.614 -10.574 739 HZ1 LYS 87 1HZ LYS 87 -6.551 23.227 -7.657 740 HZ2 LYS 87 2HZ LYS 87 -7.979 22.938 -8.440 741 HZ3 LYS 87 3HZ LYS 87 -7.370 24.473 -8.370 742 H TYR 88 H TYR 88 -3.166 16.993 -8.998 743 HA TYR 88 HA TYR 88 -5.629 15.352 -9.337 744 HB2 TYR 88 1HB TYR 88 -4.353 13.680 -10.575 745 HB3 TYR 88 2HB TYR 88 -4.319 15.229 -11.426 746 HD1 TYR 88 HD1 TYR 88 -2.202 16.579 -11.504 747 HD2 TYR 88 HD2 TYR 88 -2.312 12.688 -9.657 748 HE1 TYR 88 HE1 TYR 88 0.297 16.471 -11.550 749 HE2 TYR 88 HE2 TYR 88 0.179 12.594 -9.719 750 HH TYR 88 HH TYR 88 2.121 13.652 -10.315 751 H ALA 89 H ALA 89 -3.513 16.410 -7.144 752 HA ALA 89 HA ALA 89 -2.170 14.083 -6.244 753 HB1 ALA 89 1HB ALA 89 -3.046 16.576 -4.727 754 HB2 ALA 89 2HB ALA 89 -1.927 15.343 -4.096 755 HB3 ALA 89 3HB ALA 89 -1.479 16.293 -5.529 756 H GLU 90 H GLU 90 -5.255 15.530 -4.976 757 HA GLU 90 HA GLU 90 -5.514 13.305 -3.117 758 HB2 GLU 90 1HB GLU 90 -7.605 15.314 -4.001 759 HB3 GLU 90 2HB GLU 90 -7.686 14.263 -2.581 760 HG2 GLU 90 1HG GLU 90 -5.719 16.553 -3.057 761 HG3 GLU 90 2HG GLU 90 -7.050 16.530 -1.898 762 H GLU 91 H GLU 91 -6.328 13.805 -6.462 763 HA GLU 91 HA GLU 91 -8.291 11.671 -6.613 764 HB2 GLU 91 1HB GLU 91 -7.688 13.574 -8.339 765 HB3 GLU 91 2HB GLU 91 -6.481 12.422 -8.913 766 HG2 GLU 91 1HG GLU 91 -9.282 11.414 -8.552 767 HG3 GLU 91 2HG GLU 91 -9.009 12.566 -9.865 768 H GLU 92 H GLU 92 -4.739 11.989 -6.786 769 HA GLU 92 HA GLU 92 -4.251 9.248 -7.496 770 HB2 GLU 92 1HB GLU 92 -2.698 11.374 -7.531 771 HB3 GLU 92 2HB GLU 92 -2.317 10.884 -5.879 772 HG2 GLU 92 1HG GLU 92 -0.644 9.925 -7.229 773 HG3 GLU 92 2HG GLU 92 -1.742 8.602 -6.816 774 H LEU 93 H LEU 93 -5.107 10.878 -4.517 775 HA LEU 93 HA LEU 93 -4.286 8.710 -2.752 776 HB2 LEU 93 1HB LEU 93 -4.723 11.069 -1.995 777 HB3 LEU 93 2HB LEU 93 -6.430 10.808 -2.315 778 HG LEU 93 HG LEU 93 -6.482 9.020 -0.600 779 HD11 LEU 93 1HD1 LEU 93 -3.637 9.941 0.002 780 HD12 LEU 93 2HD1 LEU 93 -4.117 8.333 -0.592 781 HD13 LEU 93 3HD1 LEU 93 -4.615 8.863 1.024 782 HD21 LEU 93 1HD2 LEU 93 -7.134 11.330 -0.094 783 HD22 LEU 93 2HD2 LEU 93 -5.452 11.740 0.307 784 HD23 LEU 93 3HD2 LEU 93 -6.354 10.578 1.313 785 H GLU 94 H GLU 94 -7.216 9.552 -4.646 786 HA GLU 94 HA GLU 94 -8.666 7.234 -3.617 787 HB2 GLU 94 1HB GLU 94 -9.108 9.060 -5.982 788 HB3 GLU 94 2HB GLU 94 -10.096 7.622 -5.704 789 HG2 GLU 94 1HG GLU 94 -9.754 9.884 -3.700 790 HG3 GLU 94 2HG GLU 94 -11.120 9.717 -4.814 791 H GLN 95 H GLN 95 -6.253 7.806 -6.133 792 HA GLN 95 HA GLN 95 -6.658 5.193 -7.369 793 HB2 GLN 95 1HB GLN 95 -4.265 7.051 -7.383 794 HB3 GLN 95 2HB GLN 95 -4.403 5.570 -8.306 795 HG2 GLN 95 1HG GLN 95 -6.243 7.943 -8.632 796 HG3 GLN 95 2HG GLN 95 -4.851 7.587 -9.655 797 HE21 GLN 95 1HE2 GLN 95 -8.222 6.203 -10.885 798 HE22 GLN 95 2HE2 GLN 95 -7.869 7.716 -10.064 799 H VAL 96 H VAL 96 -4.917 6.410 -4.537 800 HA VAL 96 HA VAL 96 -3.401 3.970 -4.026 801 HB VAL 96 HB VAL 96 -4.254 6.357 -2.348 802 HG11 VAL 96 1HG1 VAL 96 -4.554 4.639 -0.733 803 HG12 VAL 96 2HG1 VAL 96 -3.083 3.797 -1.245 804 HG13 VAL 96 3HG1 VAL 96 -2.966 5.357 -0.412 805 HG21 VAL 96 1HG2 VAL 96 -1.532 5.190 -2.934 806 HG22 VAL 96 2HG2 VAL 96 -2.300 6.533 -3.821 807 HG23 VAL 96 3HG2 VAL 96 -1.890 6.726 -2.110 808 H ARG 97 H ARG 97 -6.619 5.259 -3.201 809 HA ARG 97 HA ARG 97 -7.499 3.093 -1.575 810 HB2 ARG 97 1HB ARG 97 -8.632 5.368 -2.062 811 HB3 ARG 97 2HB ARG 97 -9.237 4.609 -3.532 812 HG2 ARG 97 1HG ARG 97 -10.199 2.798 -1.968 813 HG3 ARG 97 2HG ARG 97 -9.941 4.016 -0.696 814 HD2 ARG 97 1HD ARG 97 -11.118 5.643 -2.344 815 HD3 ARG 97 2HD ARG 97 -11.666 4.187 -3.179 816 HE ARG 97 HE ARG 97 -12.793 3.514 -1.096 817 HH11 ARG 97 1HH1 ARG 97 -11.877 6.940 -1.335 818 HH12 ARG 97 2HH1 ARG 97 -13.036 7.401 -0.113 819 HH21 ARG 97 1HH2 ARG 97 -14.244 4.213 0.425 820 HH22 ARG 97 2HH2 ARG 97 -14.358 5.901 0.838 821 H GLU 98 H GLU 98 -7.441 3.537 -5.133 822 HA GLU 98 HA GLU 98 -8.769 1.031 -5.682 823 HB2 GLU 98 1HB GLU 98 -7.042 2.886 -7.328 824 HB3 GLU 98 2HB GLU 98 -7.632 1.350 -7.969 825 HG2 GLU 98 1HG GLU 98 -9.370 3.592 -6.898 826 HG3 GLU 98 2HG GLU 98 -9.088 3.227 -8.609 827 H ALA 99 H ALA 99 -5.325 1.926 -5.266 828 HA ALA 99 HA ALA 99 -4.209 -0.590 -6.071 829 HB1 ALA 99 1HB ALA 99 -3.211 1.293 -3.903 830 HB2 ALA 99 2HB ALA 99 -2.271 0.048 -4.750 831 HB3 ALA 99 3HB ALA 99 -2.875 1.467 -5.640 832 H LEU 100 H LEU 100 -5.296 0.681 -2.893 833 HA LEU 100 HA LEU 100 -4.885 -1.762 -1.455 834 HB2 LEU 100 1HB LEU 100 -6.738 0.595 -1.003 835 HB3 LEU 100 2HB LEU 100 -6.577 -0.734 0.146 836 HG LEU 100 HG LEU 100 -4.225 0.969 -0.748 837 HD11 LEU 100 1HD1 LEU 100 -5.907 2.400 0.320 838 HD12 LEU 100 2HD1 LEU 100 -4.486 2.190 1.364 839 HD13 LEU 100 3HD1 LEU 100 -5.985 1.290 1.712 840 HD21 LEU 100 1HD2 LEU 100 -3.579 -1.187 0.208 841 HD22 LEU 100 2HD2 LEU 100 -4.646 -0.923 1.609 842 HD23 LEU 100 3HD2 LEU 100 -3.213 0.105 1.359 843 H ARG 101 H ARG 101 -7.704 -0.515 -3.283 844 HA ARG 101 HA ARG 101 -9.473 -2.607 -2.441 845 HB2 ARG 101 1HB ARG 101 -10.070 -0.411 -3.581 846 HB3 ARG 101 2HB ARG 101 -9.616 -1.174 -5.112 847 HG2 ARG 101 1HG ARG 101 -11.377 -2.803 -4.894 848 HG3 ARG 101 2HG ARG 101 -11.648 -2.364 -3.197 849 HD2 ARG 101 1HD ARG 101 -13.424 -1.370 -4.445 850 HD3 ARG 101 2HD ARG 101 -12.329 -0.068 -3.962 851 HE ARG 101 HE ARG 101 -11.664 0.254 -6.196 852 HH11 ARG 101 1HH1 ARG 101 -13.957 -2.441 -5.999 853 HH12 ARG 101 2HH1 ARG 101 -14.207 -2.459 -7.724 854 HH21 ARG 101 1HH2 ARG 101 -11.982 0.130 -8.344 855 HH22 ARG 101 2HH2 ARG 101 -13.127 -1.009 -9.031 856 H LYS 102 H LYS 102 -7.055 -2.435 -5.081 857 HA LYS 102 HA LYS 102 -7.868 -4.980 -6.222 858 HB2 LYS 102 1HB LYS 102 -6.461 -3.412 -7.496 859 HB3 LYS 102 2HB LYS 102 -5.166 -3.591 -6.311 860 HG2 LYS 102 1HG LYS 102 -4.877 -5.956 -6.896 861 HG3 LYS 102 2HG LYS 102 -6.264 -5.892 -7.994 862 HD2 LYS 102 1HD LYS 102 -5.096 -4.345 -9.464 863 HD3 LYS 102 2HD LYS 102 -3.741 -4.232 -8.340 864 HE2 LYS 102 1HE LYS 102 -4.550 -6.900 -9.542 865 HE3 LYS 102 2HE LYS 102 -3.507 -5.779 -10.426 866 HZ1 LYS 102 1HZ LYS 102 -1.939 -5.890 -8.531 867 HZ2 LYS 102 2HZ LYS 102 -2.153 -7.358 -9.243 868 HZ3 LYS 102 3HZ LYS 102 -2.884 -7.031 -7.801 869 H ALA 103 H ALA 103 -5.541 -4.019 -3.637 870 HA ALA 103 HA ALA 103 -4.518 -6.661 -3.230 871 HB1 ALA 103 1HB ALA 103 -3.468 -4.649 -2.245 872 HB2 ALA 103 2HB ALA 103 -4.896 -4.387 -1.218 873 HB3 ALA 103 3HB ALA 103 -3.883 -5.821 -0.974 874 H GLU 104 H GLU 104 -7.269 -4.923 -1.722 875 HA GLU 104 HA GLU 104 -8.136 -7.030 -0.007 876 HB2 GLU 104 1HB GLU 104 -9.659 -4.821 -1.441 877 HB3 GLU 104 2HB GLU 104 -10.412 -5.900 -0.266 878 HG2 GLU 104 1HG GLU 104 -7.948 -4.396 0.559 879 HG3 GLU 104 2HG GLU 104 -9.476 -3.513 0.408 880 H LYS 105 H LYS 105 -8.922 -6.251 -3.422 881 HA LYS 105 HA LYS 105 -10.846 -8.320 -3.768 882 HB2 LYS 105 1HB LYS 105 -10.404 -6.402 -5.355 883 HB3 LYS 105 2HB LYS 105 -8.926 -7.217 -5.853 884 HG2 LYS 105 1HG LYS 105 -10.144 -8.164 -7.468 885 HG3 LYS 105 2HG LYS 105 -10.830 -9.199 -6.214 886 HD2 LYS 105 1HD LYS 105 -11.988 -6.531 -7.131 887 HD3 LYS 105 2HD LYS 105 -12.562 -8.125 -7.645 888 HE2 LYS 105 1HE LYS 105 -12.625 -7.016 -4.800 889 HE3 LYS 105 2HE LYS 105 -14.014 -7.203 -5.883 890 HZ1 LYS 105 1HZ LYS 105 -13.856 -9.014 -4.267 891 HZ2 LYS 105 2HZ LYS 105 -12.366 -9.442 -4.829 892 HZ3 LYS 105 3HZ LYS 105 -13.690 -9.603 -5.800 893 H GLU 106 H GLU 106 -7.293 -8.323 -4.145 894 HA GLU 106 HA GLU 106 -7.119 -10.997 -5.170 895 HB2 GLU 106 1HB GLU 106 -5.199 -9.265 -3.588 896 HB3 GLU 106 2HB GLU 106 -4.783 -10.891 -4.127 897 HG2 GLU 106 1HG GLU 106 -4.966 -10.263 -6.426 898 HG3 GLU 106 2HG GLU 106 -5.642 -8.685 -6.002 899 H LEU 107 H LEU 107 -6.809 -9.684 -1.802 900 HA LEU 107 HA LEU 107 -6.364 -12.271 -0.674 901 HB2 LEU 107 1HB LEU 107 -7.517 -9.731 0.513 902 HB3 LEU 107 2HB LEU 107 -7.095 -11.158 1.475 903 HG LEU 107 HG LEU 107 -5.112 -9.744 -0.341 904 HD11 LEU 107 1HD1 LEU 107 -5.944 -8.201 1.405 905 HD12 LEU 107 2HD1 LEU 107 -4.228 -8.605 1.582 906 HD13 LEU 107 3HD1 LEU 107 -5.424 -9.374 2.634 907 HD21 LEU 107 1HD2 LEU 107 -3.469 -10.911 1.197 908 HD22 LEU 107 2HD2 LEU 107 -4.406 -11.985 0.153 909 HD23 LEU 107 3HD2 LEU 107 -4.840 -11.814 1.866 910 H GLU 108 H GLU 108 -9.400 -10.457 -1.160 911 HA GLU 108 HA GLU 108 -11.123 -12.383 0.060 912 HB2 GLU 108 1HB GLU 108 -11.540 -10.404 -2.201 913 HB3 GLU 108 2HB GLU 108 -12.839 -11.423 -1.574 914 HG2 GLU 108 1HG GLU 108 -11.232 -9.476 0.118 915 HG3 GLU 108 2HG GLU 108 -12.797 -9.106 -0.620 916 H SER 109 H SER 109 -9.807 -12.105 -3.286 917 HA SER 109 HA SER 109 -11.320 -14.332 -4.270 918 HB2 SER 109 1HB SER 109 -9.933 -14.259 -6.212 919 HB3 SER 109 2HB SER 109 -10.258 -12.594 -5.704 920 HG SER 109 HG SER 109 -8.087 -12.998 -4.498 921 H HIS 110 H HIS 110 -8.186 -14.202 -2.551 922 HA HIS 110 HA HIS 110 -7.563 -16.981 -3.250 923 HB2 HIS 110 1HB HIS 110 -6.526 -15.254 -0.951 924 HB3 HIS 110 2HB HIS 110 -5.859 -16.810 -1.456 925 HD1 HIS 110 HD1 HIS 110 -5.154 -16.633 -4.337 926 HD2 HIS 110 HD2 HIS 110 -4.982 -13.285 -1.827 927 HE1 HIS 110 HE1 HIS 110 -3.587 -14.980 -5.404 928 H SER 111 H SER 111 -9.556 -15.286 -0.923 929 HA SER 111 HA SER 111 -9.748 -17.718 0.795 930 HB2 SER 111 1HB SER 111 -10.995 -16.185 2.311 931 HB3 SER 111 2HB SER 111 -9.341 -15.640 1.953 932 HG SER 111 HG SER 111 -10.092 -14.072 0.673 933 H SER 112 H SER 112 -11.340 -16.474 -1.898 934 HA SER 112 HA SER 112 -14.078 -16.679 -1.132 935 HB2 SER 112 1HB SER 112 -12.737 -16.998 -3.838 936 HB3 SER 112 2HB SER 112 -14.491 -16.892 -3.596 937 HG SER 112 HG SER 112 -12.809 -14.913 -2.489 938 H TRP 113 H TRP 113 -11.797 -19.210 -2.061 939 HA TRP 113 HA TRP 113 -13.828 -21.186 -1.331 940 HB2 TRP 113 1HB TRP 113 -14.171 -20.755 -3.808 941 HB3 TRP 113 2HB TRP 113 -12.545 -21.394 -4.077 942 HD1 TRP 113 HD1 TRP 113 -12.443 -23.966 -4.411 943 HE1 TRP 113 HE1 TRP 113 -13.908 -25.993 -3.934 944 HE3 TRP 113 HE3 TRP 113 -16.229 -21.520 -1.995 945 HZ2 TRP 113 HZ2 TRP 113 -16.441 -26.486 -2.727 946 HZ3 TRP 113 HZ3 TRP 113 -18.197 -22.852 -1.200 947 HH2 TRP 113 HH2 TRP 113 -18.292 -25.318 -1.580 948 H TYR 114 H TYR 114 -12.829 -23.365 -1.190 949 HA TYR 114 HA TYR 114 -9.987 -23.081 -0.298 950 HB2 TYR 114 1HB TYR 114 -10.685 -24.858 1.358 951 HB3 TYR 114 2HB TYR 114 -11.473 -23.291 1.549 952 HD1 TYR 114 HD1 TYR 114 -12.040 -26.697 0.030 953 HD2 TYR 114 HD2 TYR 114 -13.828 -23.097 1.576 954 HE1 TYR 114 HE1 TYR 114 -14.290 -27.748 -0.110 955 HE2 TYR 114 HE2 TYR 114 -16.079 -24.160 1.417 956 HH TYR 114 HH TYR 114 -17.264 -26.008 0.820 957 H ALA 115 H ALA 115 -11.424 -24.311 -2.865 958 HA ALA 115 HA ALA 115 -11.106 -26.019 -4.339 959 HB1 ALA 115 1HB ALA 115 -8.677 -25.628 -4.140 960 HB2 ALA 115 2HB ALA 115 -8.601 -26.658 -2.697 961 HB3 ALA 115 3HB ALA 115 -9.001 -27.365 -4.272 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 15.085 28.544 3.147 2 H2 GLY 1 2H GLY 1 16.598 28.597 2.492 3 H3 GLY 1 3H GLY 1 15.604 27.318 2.176 4 HA2 GLY 1 1HA GLY 1 15.150 30.098 1.321 5 HA3 GLY 1 2HA GLY 1 15.699 28.773 0.276 6 H SER 2 H SER 2 13.567 29.792 -0.775 7 HA SER 2 HA SER 2 11.384 29.521 -1.360 8 HB2 SER 2 1HB SER 2 12.226 27.240 -1.807 9 HB3 SER 2 2HB SER 2 11.664 26.745 -0.197 10 HG SER 2 HG SER 2 10.043 26.301 -1.678 11 HA PRO 3 HA PRO 3 9.712 30.494 2.844 12 HB2 PRO 3 1HB PRO 3 8.222 32.461 1.120 13 HB3 PRO 3 2HB PRO 3 9.006 32.711 2.712 14 HG2 PRO 3 1HG PRO 3 10.143 33.654 0.534 15 HG3 PRO 3 2HG PRO 3 11.136 32.812 1.768 16 HD2 PRO 3 1HD PRO 3 10.033 31.736 -0.834 17 HD3 PRO 3 2HD PRO 3 11.699 31.621 -0.165 18 H GLU 4 H GLU 4 8.344 29.351 -0.115 19 HA GLU 4 HA GLU 4 5.572 29.361 0.470 20 HB2 GLU 4 1HB GLU 4 6.618 28.713 -1.719 21 HB3 GLU 4 2HB GLU 4 7.212 27.228 -0.959 22 HG2 GLU 4 1HG GLU 4 4.811 26.679 -0.408 23 HG3 GLU 4 2HG GLU 4 4.339 28.035 -1.440 24 H PHE 5 H PHE 5 8.187 27.091 1.385 25 HA PHE 5 HA PHE 5 6.450 25.139 2.546 26 HB2 PHE 5 1HB PHE 5 9.353 25.782 3.177 27 HB3 PHE 5 2HB PHE 5 8.491 24.316 3.662 28 HD1 PHE 5 HD1 PHE 5 7.145 23.231 1.465 29 HD2 PHE 5 HD2 PHE 5 10.836 25.443 1.422 30 HE1 PHE 5 HE1 PHE 5 7.761 22.139 -0.681 31 HE2 PHE 5 HE2 PHE 5 11.473 24.333 -0.722 32 HZ PHE 5 HZ PHE 5 9.929 22.687 -1.782 33 H ASN 6 H ASN 6 7.799 28.161 3.780 34 HA ASN 6 HA ASN 6 7.065 27.527 6.542 35 HB2 ASN 6 1HB ASN 6 7.752 30.186 5.220 36 HB3 ASN 6 2HB ASN 6 7.600 29.914 6.961 37 HD21 ASN 6 1HD2 ASN 6 10.661 28.043 7.162 38 HD22 ASN 6 2HD2 ASN 6 9.036 28.079 7.801 39 H ARG 7 H ARG 7 5.764 29.424 3.818 40 HA ARG 7 HA ARG 7 3.567 30.633 5.155 41 HB2 ARG 7 1HB ARG 7 4.423 31.195 2.866 42 HB3 ARG 7 2HB ARG 7 3.752 29.675 2.270 43 HG2 ARG 7 1HG ARG 7 1.473 30.481 2.996 44 HG3 ARG 7 2HG ARG 7 2.213 32.058 3.344 45 HD2 ARG 7 1HD ARG 7 2.981 32.190 0.991 46 HD3 ARG 7 2HD ARG 7 2.227 30.615 0.665 47 HE ARG 7 HE ARG 7 0.316 32.448 1.783 48 HH11 ARG 7 1HH1 ARG 7 1.949 31.711 -1.258 49 HH12 ARG 7 2HH1 ARG 7 0.681 32.423 -2.217 50 HH21 ARG 7 1HH2 ARG 7 -1.261 33.338 0.492 51 HH22 ARG 7 2HH2 ARG 7 -1.107 33.315 -1.243 52 H TYR 8 H TYR 8 3.821 27.485 3.484 53 HA TYR 8 HA TYR 8 1.001 26.918 4.225 54 HB2 TYR 8 1HB TYR 8 2.995 25.374 2.528 55 HB3 TYR 8 2HB TYR 8 1.307 24.940 2.767 56 HD1 TYR 8 HD1 TYR 8 2.802 25.483 0.104 57 HD2 TYR 8 HD2 TYR 8 0.274 27.961 2.568 58 HE1 TYR 8 HE1 TYR 8 2.181 26.849 -1.884 59 HE2 TYR 8 HE2 TYR 8 -0.332 29.311 0.570 60 HH TYR 8 HH TYR 8 0.949 28.579 -2.685 61 H SER 9 H SER 9 3.744 26.717 5.948 62 HA SER 9 HA SER 9 4.392 24.089 6.415 63 HB2 SER 9 1HB SER 9 4.993 24.813 8.755 64 HB3 SER 9 2HB SER 9 5.633 25.844 7.459 65 HG SER 9 HG SER 9 4.297 27.429 7.997 66 H LYS 10 H LYS 10 1.711 25.767 8.050 67 HA LYS 10 HA LYS 10 0.964 23.864 9.921 68 HB2 LYS 10 1HB LYS 10 -1.454 24.721 9.288 69 HB3 LYS 10 2HB LYS 10 -0.279 25.810 10.026 70 HG2 LYS 10 1HG LYS 10 0.220 26.872 7.881 71 HG3 LYS 10 2HG LYS 10 -0.738 25.670 7.007 72 HD2 LYS 10 1HD LYS 10 -2.772 26.472 8.240 73 HD3 LYS 10 2HD LYS 10 -1.770 27.756 8.945 74 HE2 LYS 10 1HE LYS 10 -2.870 28.729 7.053 75 HE3 LYS 10 2HE LYS 10 -1.184 28.465 6.565 76 HZ1 LYS 10 1HZ LYS 10 -2.742 27.757 4.843 77 HZ2 LYS 10 2HZ LYS 10 -3.459 26.685 5.871 78 HZ3 LYS 10 3HZ LYS 10 -1.895 26.463 5.390 79 H GLU 11 H GLU 11 -0.761 24.059 6.781 80 HA GLU 11 HA GLU 11 -1.824 21.396 7.253 81 HB2 GLU 11 1HB GLU 11 -2.138 23.349 4.979 82 HB3 GLU 11 2HB GLU 11 -3.034 21.840 5.121 83 HG2 GLU 11 1HG GLU 11 -3.121 24.158 7.091 84 HG3 GLU 11 2HG GLU 11 -4.330 23.830 5.841 85 H HIS 12 H HIS 12 0.856 22.804 5.438 86 HA HIS 12 HA HIS 12 1.147 20.643 3.562 87 HB2 HIS 12 1HB HIS 12 2.348 22.843 3.441 88 HB3 HIS 12 2HB HIS 12 3.335 22.352 4.819 89 HD1 HIS 12 HD1 HIS 12 2.910 19.378 2.774 90 HD2 HIS 12 HD2 HIS 12 5.274 22.813 2.590 91 HE1 HIS 12 HE1 HIS 12 4.800 18.887 1.170 92 H MET 13 H MET 13 2.565 21.235 6.858 93 HA MET 13 HA MET 13 3.889 18.664 6.846 94 HB2 MET 13 1HB MET 13 3.122 20.499 9.142 95 HB3 MET 13 2HB MET 13 4.102 19.036 9.310 96 HG2 MET 13 1HG MET 13 4.832 21.451 7.620 97 HG3 MET 13 2HG MET 13 5.494 21.069 9.217 98 HE1 MET 13 1HE MET 13 8.432 20.343 6.611 99 HE2 MET 13 2HE MET 13 7.160 21.573 6.423 100 HE3 MET 13 3HE MET 13 7.941 21.331 8.007 101 H LYS 14 H LYS 14 0.682 19.820 7.973 102 HA LYS 14 HA LYS 14 0.027 17.355 9.287 103 HB2 LYS 14 1HB LYS 14 -1.174 19.616 9.383 104 HB3 LYS 14 2HB LYS 14 -1.986 19.127 7.889 105 HG2 LYS 14 1HG LYS 14 -2.944 17.169 9.038 106 HG3 LYS 14 2HG LYS 14 -2.004 17.552 10.494 107 HD2 LYS 14 1HD LYS 14 -4.142 18.394 10.975 108 HD3 LYS 14 2HD LYS 14 -3.208 19.821 10.485 109 HE2 LYS 14 1HE LYS 14 -4.140 19.486 8.144 110 HE3 LYS 14 2HE LYS 14 -5.221 18.258 8.832 111 HZ1 LYS 14 1HZ LYS 14 -6.293 20.395 8.733 112 HZ2 LYS 14 2HZ LYS 14 -5.084 21.127 9.568 113 HZ3 LYS 14 3HZ LYS 14 -6.059 20.019 10.328 114 H LYS 15 H LYS 15 -0.292 18.391 5.873 115 HA LYS 15 HA LYS 15 -1.663 15.969 5.048 116 HB2 LYS 15 1HB LYS 15 -1.571 18.219 3.808 117 HB3 LYS 15 2HB LYS 15 0.061 17.754 3.313 118 HG2 LYS 15 1HG LYS 15 -1.054 15.603 2.407 119 HG3 LYS 15 2HG LYS 15 -2.579 16.481 2.589 120 HD2 LYS 15 1HD LYS 15 -1.534 18.347 1.246 121 HD3 LYS 15 2HD LYS 15 -0.169 17.266 0.914 122 HE2 LYS 15 1HE LYS 15 -3.075 16.713 0.218 123 HE3 LYS 15 2HE LYS 15 -1.866 17.333 -0.906 124 HZ1 LYS 15 1HZ LYS 15 -2.270 14.931 -1.073 125 HZ2 LYS 15 2HZ LYS 15 -1.636 14.707 0.443 126 HZ3 LYS 15 3HZ LYS 15 -0.678 15.284 -0.761 127 H MET 16 H MET 16 1.744 17.057 5.125 128 HA MET 16 HA MET 16 2.866 14.797 3.820 129 HB2 MET 16 1HB MET 16 4.157 16.820 4.320 130 HB3 MET 16 2HB MET 16 3.967 16.548 6.054 131 HG2 MET 16 1HG MET 16 5.317 14.547 5.953 132 HG3 MET 16 2HG MET 16 5.430 14.675 4.190 133 HE1 MET 16 1HE MET 16 8.138 14.447 4.594 134 HE2 MET 16 2HE MET 16 9.055 15.589 5.604 135 HE3 MET 16 3HE MET 16 7.895 14.470 6.357 136 H MET 17 H MET 17 1.935 15.361 7.250 137 HA MET 17 HA MET 17 2.878 12.818 8.163 138 HB2 MET 17 1HB MET 17 2.202 14.701 9.660 139 HB3 MET 17 2HB MET 17 0.513 14.401 9.227 140 HG2 MET 17 1HG MET 17 0.679 12.119 10.137 141 HG3 MET 17 2HG MET 17 2.375 12.407 10.555 142 HE1 MET 17 1HE MET 17 0.346 11.274 12.619 143 HE2 MET 17 2HE MET 17 2.014 11.685 13.071 144 HE3 MET 17 3HE MET 17 0.657 12.270 14.062 145 H LYS 18 H LYS 18 -0.377 13.844 6.923 146 HA LYS 18 HA LYS 18 -1.652 11.310 7.173 147 HB2 LYS 18 1HB LYS 18 -1.893 13.435 5.008 148 HB3 LYS 18 2HB LYS 18 -2.860 11.977 5.030 149 HG2 LYS 18 1HG LYS 18 -4.034 12.668 6.984 150 HG3 LYS 18 2HG LYS 18 -2.914 14.027 7.249 151 HD2 LYS 18 1HD LYS 18 -4.981 14.861 6.168 152 HD3 LYS 18 2HD LYS 18 -3.600 15.026 5.075 153 HE2 LYS 18 1HE LYS 18 -4.322 12.826 3.974 154 HE3 LYS 18 2HE LYS 18 -5.805 12.915 4.936 155 HZ1 LYS 18 1HZ LYS 18 -4.891 14.921 2.940 156 HZ2 LYS 18 2HZ LYS 18 -6.286 15.032 3.816 157 HZ3 LYS 18 3HZ LYS 18 -6.094 13.824 2.707 158 H ASP 19 H ASP 19 0.177 12.677 4.429 159 HA ASP 19 HA ASP 19 -0.308 10.462 2.712 160 HB2 ASP 19 1HB ASP 19 1.902 12.550 2.655 161 HB3 ASP 19 2HB ASP 19 1.486 11.468 1.316 162 H LEU 20 H LEU 20 2.412 11.174 4.956 163 HA LEU 20 HA LEU 20 3.782 8.774 3.967 164 HB2 LEU 20 1HB LEU 20 4.523 10.702 6.166 165 HB3 LEU 20 2HB LEU 20 5.503 9.328 5.638 166 HG LEU 20 HG LEU 20 4.749 11.761 3.970 167 HD11 LEU 20 1HD1 LEU 20 7.182 12.148 3.997 168 HD12 LEU 20 2HD1 LEU 20 7.407 10.706 5.011 169 HD13 LEU 20 3HD1 LEU 20 6.514 12.112 5.641 170 HD21 LEU 20 1HD2 LEU 20 4.754 9.905 2.400 171 HD22 LEU 20 2HD2 LEU 20 6.214 9.210 3.152 172 HD23 LEU 20 3HD2 LEU 20 6.317 10.728 2.239 173 H GLU 21 H GLU 21 1.672 9.559 6.683 174 HA GLU 21 HA GLU 21 2.226 7.119 8.153 175 HB2 GLU 21 1HB GLU 21 0.812 9.155 8.906 176 HB3 GLU 21 2HB GLU 21 -0.470 8.508 7.882 177 HG2 GLU 21 1HG GLU 21 -1.023 7.695 9.979 178 HG3 GLU 21 2HG GLU 21 -0.149 6.327 9.267 179 H GLY 22 H GLY 22 0.257 8.142 5.382 180 HA2 GLY 22 1HA GLY 22 -1.036 5.615 4.941 181 HA3 GLY 22 2HA GLY 22 -0.833 6.921 3.759 182 H LEU 23 H LEU 23 2.078 7.024 3.814 183 HA LEU 23 HA LEU 23 2.659 4.912 1.969 184 HB2 LEU 23 1HB LEU 23 3.829 7.239 2.552 185 HB3 LEU 23 2HB LEU 23 4.882 6.194 3.500 186 HG LEU 23 HG LEU 23 4.331 5.927 0.513 187 HD11 LEU 23 1HD1 LEU 23 5.536 7.959 0.966 188 HD12 LEU 23 2HD1 LEU 23 6.677 6.771 0.316 189 HD13 LEU 23 3HD1 LEU 23 6.665 7.113 2.057 190 HD21 LEU 23 1HD2 LEU 23 4.991 3.765 1.379 191 HD22 LEU 23 2HD2 LEU 23 6.295 4.483 2.350 192 HD23 LEU 23 3HD2 LEU 23 6.402 4.468 0.575 193 H HIS 24 H HIS 24 3.251 5.308 5.492 194 HA HIS 24 HA HIS 24 4.616 2.784 5.783 195 HB2 HIS 24 1HB HIS 24 4.689 4.605 7.465 196 HB3 HIS 24 2HB HIS 24 2.981 4.330 7.824 197 HD1 HIS 24 HD1 HIS 24 5.786 1.670 7.454 198 HD2 HIS 24 HD2 HIS 24 3.078 3.203 10.262 199 HE1 HIS 24 HE1 HIS 24 5.949 0.227 9.509 200 H ARG 25 H ARG 25 1.150 3.761 5.816 201 HA ARG 25 HA ARG 25 0.174 1.148 6.498 202 HB2 ARG 25 1HB ARG 25 -1.263 3.148 6.566 203 HB3 ARG 25 2HB ARG 25 -1.142 3.306 4.816 204 HG2 ARG 25 1HG ARG 25 -3.277 2.332 5.314 205 HG3 ARG 25 2HG ARG 25 -2.274 1.100 4.545 206 HD2 ARG 25 1HD ARG 25 -1.703 0.266 6.885 207 HD3 ARG 25 2HD ARG 25 -2.962 1.351 7.492 208 HE ARG 25 HE ARG 25 -4.574 0.087 6.073 209 HH11 ARG 25 1HH1 ARG 25 -1.540 -1.539 6.868 210 HH12 ARG 25 2HH1 ARG 25 -2.237 -3.131 6.603 211 HH21 ARG 25 1HH2 ARG 25 -5.345 -1.998 5.755 212 HH22 ARG 25 2HH2 ARG 25 -4.285 -3.370 6.021 213 H ALA 26 H ALA 26 1.328 2.522 3.402 214 HA ALA 26 HA ALA 26 0.391 0.293 1.816 215 HB1 ALA 26 1HB ALA 26 2.720 2.176 1.258 216 HB2 ALA 26 2HB ALA 26 1.870 1.148 0.085 217 HB3 ALA 26 3HB ALA 26 1.018 2.502 0.858 218 H GLU 27 H GLU 27 3.331 0.945 3.725 219 HA GLU 27 HA GLU 27 4.780 -1.398 2.862 220 HB2 GLU 27 1HB GLU 27 5.650 0.604 4.131 221 HB3 GLU 27 2HB GLU 27 4.823 -0.004 5.559 222 HG2 GLU 27 1HG GLU 27 6.232 -1.954 5.617 223 HG3 GLU 27 2HG GLU 27 6.991 -1.481 4.079 224 H GLN 28 H GLN 28 2.548 -0.652 5.527 225 HA GLN 28 HA GLN 28 2.377 -3.310 6.577 226 HB2 GLN 28 1HB GLN 28 0.403 -1.018 6.636 227 HB3 GLN 28 2HB GLN 28 0.221 -2.509 7.551 228 HG2 GLN 28 1HG GLN 28 2.161 -2.019 8.882 229 HG3 GLN 28 2HG GLN 28 2.554 -0.613 7.885 230 HE21 GLN 28 1HE2 GLN 28 0.924 1.044 10.587 231 HE22 GLN 28 2HE2 GLN 28 2.481 0.470 10.033 232 H SER 29 H SER 29 1.032 -1.898 3.634 233 HA SER 29 HA SER 29 -1.097 -3.895 3.520 234 HB2 SER 29 1HB SER 29 -1.739 -2.988 1.437 235 HB3 SER 29 2HB SER 29 -1.335 -1.617 2.483 236 HG SER 29 HG SER 29 -0.429 -1.287 0.477 237 H LEU 30 H LEU 30 2.199 -3.466 2.208 238 HA LEU 30 HA LEU 30 2.201 -5.875 0.546 239 HB2 LEU 30 1HB LEU 30 4.344 -5.379 0.202 240 HB3 LEU 30 2HB LEU 30 3.904 -3.854 0.897 241 HG LEU 30 HG LEU 30 4.946 -4.882 3.094 242 HD11 LEU 30 1HD1 LEU 30 6.757 -6.327 2.761 243 HD12 LEU 30 2HD1 LEU 30 6.586 -6.265 1.001 244 HD13 LEU 30 3HD1 LEU 30 5.361 -7.088 1.985 245 HD21 LEU 30 1HD2 LEU 30 7.010 -3.771 2.527 246 HD22 LEU 30 2HD2 LEU 30 5.668 -2.865 1.809 247 HD23 LEU 30 3HD2 LEU 30 6.662 -3.916 0.787 248 H HIS 31 H HIS 31 3.002 -5.133 4.013 249 HA HIS 31 HA HIS 31 3.463 -7.910 4.603 250 HB2 HIS 31 1HB HIS 31 2.882 -5.575 6.408 251 HB3 HIS 31 2HB HIS 31 3.274 -7.204 6.976 252 HD1 HIS 31 HD1 HIS 31 5.569 -7.933 4.965 253 HD2 HIS 31 HD2 HIS 31 5.214 -4.275 6.965 254 HE1 HIS 31 HE1 HIS 31 7.882 -6.923 5.094 255 H ASP 32 H ASP 32 0.455 -5.960 4.823 256 HA ASP 32 HA ASP 32 -1.078 -8.048 6.091 257 HB2 ASP 32 1HB ASP 32 -1.683 -5.568 4.551 258 HB3 ASP 32 2HB ASP 32 -2.876 -6.851 4.374 259 H LEU 33 H LEU 33 -0.220 -7.251 2.701 260 HA LEU 33 HA LEU 33 -1.906 -9.198 1.540 261 HB2 LEU 33 1HB LEU 33 0.575 -7.755 0.634 262 HB3 LEU 33 2HB LEU 33 0.026 -9.153 -0.288 263 HG LEU 33 HG LEU 33 -1.950 -7.005 0.450 264 HD11 LEU 33 1HD1 LEU 33 -0.048 -5.807 -0.581 265 HD12 LEU 33 2HD1 LEU 33 -1.491 -5.780 -1.604 266 HD13 LEU 33 3HD1 LEU 33 -0.149 -6.867 -1.995 267 HD21 LEU 33 1HD2 LEU 33 -2.809 -9.093 -0.520 268 HD22 LEU 33 2HD2 LEU 33 -1.715 -8.929 -1.910 269 HD23 LEU 33 3HD2 LEU 33 -3.028 -7.759 -1.663 270 H GLN 34 H GLN 34 1.623 -9.560 2.510 271 HA GLN 34 HA GLN 34 1.395 -12.380 1.872 272 HB2 GLN 34 1HB GLN 34 3.441 -12.695 3.330 273 HB3 GLN 34 2HB GLN 34 3.596 -11.767 1.864 274 HG2 GLN 34 1HG GLN 34 2.964 -10.038 4.111 275 HG3 GLN 34 2HG GLN 34 4.329 -11.065 4.506 276 HE21 GLN 34 1HE2 GLN 34 5.119 -9.012 1.074 277 HE22 GLN 34 2HE2 GLN 34 3.811 -10.174 1.141 278 H GLU 35 H GLU 35 0.965 -10.696 5.052 279 HA GLU 35 HA GLU 35 0.897 -13.188 6.509 280 HB2 GLU 35 1HB GLU 35 -0.132 -10.402 7.100 281 HB3 GLU 35 2HB GLU 35 -0.368 -11.743 8.224 282 HG2 GLU 35 1HG GLU 35 2.320 -10.734 7.235 283 HG3 GLU 35 2HG GLU 35 1.600 -10.392 8.818 284 H ARG 36 H ARG 36 -1.718 -11.147 5.113 285 HA ARG 36 HA ARG 36 -3.772 -12.921 6.175 286 HB2 ARG 36 1HB ARG 36 -3.985 -10.994 3.853 287 HB3 ARG 36 2HB ARG 36 -5.330 -11.693 4.754 288 HG2 ARG 36 1HG ARG 36 -3.250 -9.808 5.916 289 HG3 ARG 36 2HG ARG 36 -4.799 -9.287 5.279 290 HD2 ARG 36 1HD ARG 36 -5.961 -10.430 7.044 291 HD3 ARG 36 2HD ARG 36 -4.435 -11.178 7.611 292 HE ARG 36 HE ARG 36 -3.953 -8.410 7.444 293 HH11 ARG 36 1HH1 ARG 36 -6.055 -10.467 9.413 294 HH12 ARG 36 2HH1 ARG 36 -6.024 -9.344 10.747 295 HH21 ARG 36 1HH2 ARG 36 -3.953 -7.082 9.102 296 HH22 ARG 36 2HH2 ARG 36 -4.849 -7.423 10.572 297 H LEU 37 H LEU 37 -1.808 -12.743 3.197 298 HA LEU 37 HA LEU 37 -3.280 -14.762 1.758 299 HB2 LEU 37 1HB LEU 37 -1.598 -13.392 0.665 300 HB3 LEU 37 2HB LEU 37 -0.356 -13.980 1.755 301 HG LEU 37 HG LEU 37 -0.524 -16.228 0.744 302 HD11 LEU 37 1HD1 LEU 37 -2.401 -14.827 -1.184 303 HD12 LEU 37 2HD1 LEU 37 -2.806 -16.176 -0.097 304 HD13 LEU 37 3HD1 LEU 37 -1.671 -16.423 -1.432 305 HD21 LEU 37 1HD2 LEU 37 1.189 -14.724 0.027 306 HD22 LEU 37 2HD2 LEU 37 0.067 -13.814 -0.995 307 HD23 LEU 37 3HD2 LEU 37 0.517 -15.477 -1.433 308 H HIS 38 H HIS 38 -0.487 -14.927 4.034 309 HA HIS 38 HA HIS 38 -0.160 -17.746 3.887 310 HB2 HIS 38 1HB HIS 38 1.483 -16.271 4.963 311 HB3 HIS 38 2HB HIS 38 0.318 -15.859 6.225 312 HD1 HIS 38 HD1 HIS 38 0.574 -19.483 5.171 313 HD2 HIS 38 HD2 HIS 38 1.979 -16.958 8.179 314 HE1 HIS 38 HE1 HIS 38 1.526 -20.963 6.978 315 H LYS 39 H LYS 39 -2.196 -15.750 6.137 316 HA LYS 39 HA LYS 39 -3.260 -18.061 7.464 317 HB2 LYS 39 1HB LYS 39 -3.505 -15.679 8.272 318 HB3 LYS 39 2HB LYS 39 -4.730 -15.442 7.007 319 HG2 LYS 39 1HG LYS 39 -5.966 -17.425 7.980 320 HG3 LYS 39 2HG LYS 39 -4.831 -17.401 9.329 321 HD2 LYS 39 1HD LYS 39 -5.613 -15.166 9.952 322 HD3 LYS 39 2HD LYS 39 -6.683 -15.140 8.519 323 HE2 LYS 39 1HE LYS 39 -7.701 -17.272 9.326 324 HE3 LYS 39 2HE LYS 39 -6.764 -17.135 10.811 325 HZ1 LYS 39 1HZ LYS 39 -7.983 -15.119 11.297 326 HZ2 LYS 39 2HZ LYS 39 -9.000 -16.403 11.083 327 HZ3 LYS 39 3HZ LYS 39 -8.849 -15.269 9.897 328 H ALA 40 H ALA 40 -4.440 -16.256 4.588 329 HA ALA 40 HA ALA 40 -6.853 -17.728 4.309 330 HB1 ALA 40 1HB ALA 40 -6.412 -15.598 3.127 331 HB2 ALA 40 2HB ALA 40 -5.160 -16.402 2.148 332 HB3 ALA 40 3HB ALA 40 -6.863 -16.889 1.992 333 H GLN 41 H GLN 41 -3.513 -18.408 3.199 334 HA GLN 41 HA GLN 41 -4.387 -20.726 1.687 335 HB2 GLN 41 1HB GLN 41 -2.215 -19.642 1.292 336 HB3 GLN 41 2HB GLN 41 -1.709 -20.009 2.940 337 HG2 GLN 41 1HG GLN 41 -2.471 -22.476 1.743 338 HG3 GLN 41 2HG GLN 41 -1.455 -21.609 0.580 339 HE21 GLN 41 1HE2 GLN 41 0.117 -23.108 4.035 340 HE22 GLN 41 2HE2 GLN 41 -1.590 -23.187 3.677 341 H GLU 42 H GLU 42 -2.802 -20.364 4.952 342 HA GLU 42 HA GLU 42 -2.846 -23.124 5.429 343 HB2 GLU 42 1HB GLU 42 -1.635 -21.148 6.629 344 HB3 GLU 42 2HB GLU 42 -3.011 -21.225 7.737 345 HG2 GLU 42 1HG GLU 42 -1.185 -22.601 8.593 346 HG3 GLU 42 2HG GLU 42 -2.527 -23.649 8.102 347 H GLU 43 H GLU 43 -5.424 -20.770 6.233 348 HA GLU 43 HA GLU 43 -6.929 -23.017 7.448 349 HB2 GLU 43 1HB GLU 43 -7.606 -20.083 7.066 350 HB3 GLU 43 2HB GLU 43 -8.709 -21.284 7.755 351 HG2 GLU 43 1HG GLU 43 -7.002 -21.765 9.529 352 HG3 GLU 43 2HG GLU 43 -6.025 -20.429 8.895 353 H HIS 44 H HIS 44 -7.180 -20.864 4.539 354 HA HIS 44 HA HIS 44 -9.631 -22.386 3.859 355 HB2 HIS 44 1HB HIS 44 -8.661 -19.918 2.430 356 HB3 HIS 44 2HB HIS 44 -10.266 -20.624 2.451 357 HD1 HIS 44 HD1 HIS 44 -11.070 -20.840 5.296 358 HD2 HIS 44 HD2 HIS 44 -8.701 -17.702 3.928 359 HE1 HIS 44 HE1 HIS 44 -11.267 -18.971 6.995 360 H ARG 45 H ARG 45 -6.484 -21.665 2.439 361 HA ARG 45 HA ARG 45 -5.564 -22.307 0.415 362 HB2 ARG 45 1HB ARG 45 -5.318 -24.768 0.197 363 HB3 ARG 45 2HB ARG 45 -4.881 -24.094 1.752 364 HG2 ARG 45 1HG ARG 45 -7.199 -24.871 2.594 365 HG3 ARG 45 2HG ARG 45 -7.293 -25.808 1.091 366 HD2 ARG 45 1HD ARG 45 -6.397 -27.280 2.718 367 HD3 ARG 45 2HD ARG 45 -5.008 -26.761 1.742 368 HE ARG 45 HE ARG 45 -5.646 -25.296 4.260 369 HH11 ARG 45 1HH1 ARG 45 -3.397 -27.432 2.552 370 HH12 ARG 45 2HH1 ARG 45 -2.157 -27.214 3.761 371 HH21 ARG 45 1HH2 ARG 45 -4.049 -25.125 5.749 372 HH22 ARG 45 2HH2 ARG 45 -2.501 -25.916 5.530 373 H THR 46 H THR 46 -7.396 -21.084 -0.611 374 HA THR 46 HA THR 46 -9.425 -22.387 -2.094 375 HB THR 46 HB THR 46 -9.250 -19.902 -1.754 376 HG1 THR 46 HG1 THR 46 -9.917 -19.392 -3.882 377 HG21 THR 46 1HG2 THR 46 -7.815 -18.641 -3.385 378 HG22 THR 46 2HG2 THR 46 -6.983 -20.157 -3.754 379 HG23 THR 46 3HG2 THR 46 -6.911 -19.489 -2.115 380 H VAL 47 H VAL 47 -9.466 -22.522 -4.539 381 HA VAL 47 HA VAL 47 -7.736 -24.565 -5.360 382 HB VAL 47 HB VAL 47 -10.018 -23.980 -6.282 383 HG11 VAL 47 1HG1 VAL 47 -10.232 -22.383 -8.115 384 HG12 VAL 47 2HG1 VAL 47 -9.618 -21.551 -6.674 385 HG13 VAL 47 3HG1 VAL 47 -8.508 -21.964 -8.003 386 HG21 VAL 47 1HG2 VAL 47 -9.595 -24.826 -8.526 387 HG22 VAL 47 2HG2 VAL 47 -7.873 -24.395 -8.401 388 HG23 VAL 47 3HG2 VAL 47 -8.554 -25.665 -7.356 389 H GLU 48 H GLU 48 -7.128 -21.128 -5.487 390 HA GLU 48 HA GLU 48 -5.142 -21.114 -7.555 391 HB2 GLU 48 1HB GLU 48 -5.334 -19.403 -5.059 392 HB3 GLU 48 2HB GLU 48 -4.374 -19.034 -6.485 393 HG2 GLU 48 1HG GLU 48 -6.425 -18.769 -7.803 394 HG3 GLU 48 2HG GLU 48 -7.395 -19.134 -6.357 395 H VAL 49 H VAL 49 -5.066 -22.520 -4.409 396 HA VAL 49 HA VAL 49 -2.726 -21.795 -3.239 397 HB VAL 49 HB VAL 49 -4.393 -23.328 -2.270 398 HG11 VAL 49 1HG1 VAL 49 -3.061 -25.544 -3.885 399 HG12 VAL 49 2HG1 VAL 49 -4.379 -25.720 -2.704 400 HG13 VAL 49 3HG1 VAL 49 -4.669 -24.854 -4.223 401 HG21 VAL 49 1HG2 VAL 49 -1.593 -24.495 -2.114 402 HG22 VAL 49 2HG2 VAL 49 -2.156 -23.058 -1.232 403 HG23 VAL 49 3HG2 VAL 49 -2.890 -24.641 -0.906 404 H GLU 50 H GLU 50 -2.774 -23.987 -6.015 405 HA GLU 50 HA GLU 50 -0.145 -25.005 -5.813 406 HB2 GLU 50 1HB GLU 50 -1.845 -25.796 -7.390 407 HB3 GLU 50 2HB GLU 50 -1.824 -24.252 -8.235 408 HG2 GLU 50 1HG GLU 50 -0.629 -25.929 -9.519 409 HG3 GLU 50 2HG GLU 50 0.470 -24.658 -8.993 410 H LYS 51 H LYS 51 -1.278 -21.811 -6.951 411 HA LYS 51 HA LYS 51 1.585 -20.934 -7.053 412 HB2 LYS 51 1HB LYS 51 -0.513 -20.297 -9.163 413 HB3 LYS 51 2HB LYS 51 1.117 -19.623 -9.111 414 HG2 LYS 51 1HG LYS 51 0.517 -22.580 -9.444 415 HG3 LYS 51 2HG LYS 51 0.794 -21.473 -10.786 416 HD2 LYS 51 1HD LYS 51 3.064 -21.152 -10.234 417 HD3 LYS 51 2HD LYS 51 2.851 -21.745 -8.579 418 HE2 LYS 51 1HE LYS 51 2.122 -23.740 -10.615 419 HE3 LYS 51 2HE LYS 51 3.827 -23.244 -10.692 420 HZ1 LYS 51 1HZ LYS 51 2.596 -23.929 -8.101 421 HZ2 LYS 51 2HZ LYS 51 4.187 -23.987 -8.530 422 HZ3 LYS 51 3HZ LYS 51 3.131 -25.137 -9.083 423 H VAL 52 H VAL 52 -0.901 -20.548 -5.226 424 HA VAL 52 HA VAL 52 -1.749 -17.839 -5.591 425 HB VAL 52 HB VAL 52 -2.867 -19.749 -4.224 426 HG11 VAL 52 1HG1 VAL 52 -0.943 -20.193 -2.702 427 HG12 VAL 52 2HG1 VAL 52 -1.184 -18.586 -1.971 428 HG13 VAL 52 3HG1 VAL 52 -2.446 -19.825 -1.832 429 HG21 VAL 52 1HG2 VAL 52 -2.843 -16.931 -3.129 430 HG22 VAL 52 2HG2 VAL 52 -3.848 -17.543 -4.450 431 HG23 VAL 52 3HG2 VAL 52 -4.083 -18.160 -2.803 432 H HIS 53 H HIS 53 1.204 -19.046 -4.338 433 HA HIS 53 HA HIS 53 1.806 -16.350 -3.238 434 HB2 HIS 53 1HB HIS 53 1.184 -18.035 -1.443 435 HB3 HIS 53 2HB HIS 53 2.634 -18.938 -1.868 436 HD1 HIS 53 HD1 HIS 53 2.503 -17.892 0.977 437 HD2 HIS 53 HD2 HIS 53 3.998 -15.591 -2.168 438 HE1 HIS 53 HE1 HIS 53 4.012 -16.134 1.993 439 H LEU 54 H LEU 54 4.282 -18.369 -2.489 440 HA LEU 54 HA LEU 54 6.388 -18.661 -3.258 441 HB2 LEU 54 1HB LEU 54 5.240 -18.583 -6.064 442 HB3 LEU 54 2HB LEU 54 6.768 -19.291 -5.565 443 HG LEU 54 HG LEU 54 4.041 -20.330 -4.709 444 HD11 LEU 54 1HD1 LEU 54 4.390 -22.098 -6.353 445 HD12 LEU 54 2HD1 LEU 54 5.929 -21.356 -6.861 446 HD13 LEU 54 3HD1 LEU 54 4.388 -20.508 -7.143 447 HD21 LEU 54 1HD2 LEU 54 5.827 -20.946 -3.137 448 HD22 LEU 54 2HD2 LEU 54 6.834 -21.535 -4.481 449 HD23 LEU 54 3HD2 LEU 54 5.312 -22.361 -4.071 450 H GLU 55 H GLU 55 8.037 -17.760 -4.940 451 HA GLU 55 HA GLU 55 8.524 -15.093 -4.271 452 HB2 GLU 55 1HB GLU 55 10.199 -16.710 -5.041 453 HB3 GLU 55 2HB GLU 55 9.480 -16.746 -6.643 454 HG2 GLU 55 1HG GLU 55 10.314 -14.060 -5.670 455 HG3 GLU 55 2HG GLU 55 11.620 -15.225 -5.915 456 H LYS 56 H LYS 56 6.824 -16.412 -7.132 457 HA LYS 56 HA LYS 56 6.786 -13.921 -8.502 458 HB2 LYS 56 1HB LYS 56 6.079 -16.486 -9.146 459 HB3 LYS 56 2HB LYS 56 4.494 -15.713 -9.031 460 HG2 LYS 56 1HG LYS 56 6.821 -14.775 -10.771 461 HG3 LYS 56 2HG LYS 56 5.386 -15.648 -11.338 462 HD2 LYS 56 1HD LYS 56 3.964 -13.741 -10.533 463 HD3 LYS 56 2HD LYS 56 5.444 -12.863 -10.105 464 HE2 LYS 56 1HE LYS 56 6.183 -12.980 -12.467 465 HE3 LYS 56 2HE LYS 56 4.638 -13.765 -12.884 466 HZ1 LYS 56 1HZ LYS 56 4.942 -11.077 -11.652 467 HZ2 LYS 56 2HZ LYS 56 3.506 -11.802 -11.958 468 HZ3 LYS 56 3HZ LYS 56 4.493 -11.376 -13.218 469 H LYS 57 H LYS 57 4.074 -15.431 -6.511 470 HA LYS 57 HA LYS 57 2.546 -13.004 -6.968 471 HB2 LYS 57 1HB LYS 57 1.859 -15.496 -6.101 472 HB3 LYS 57 2HB LYS 57 1.797 -14.587 -4.588 473 HG2 LYS 57 1HG LYS 57 0.426 -13.587 -7.110 474 HG3 LYS 57 2HG LYS 57 -0.347 -14.804 -6.094 475 HD2 LYS 57 1HD LYS 57 0.567 -12.133 -4.965 476 HD3 LYS 57 2HD LYS 57 -1.017 -12.356 -5.712 477 HE2 LYS 57 1HE LYS 57 -1.501 -14.187 -4.114 478 HE3 LYS 57 2HE LYS 57 0.059 -13.903 -3.331 479 HZ1 LYS 57 1HZ LYS 57 -1.969 -12.819 -2.309 480 HZ2 LYS 57 2HZ LYS 57 -1.920 -11.732 -3.567 481 HZ3 LYS 57 3HZ LYS 57 -0.645 -11.865 -2.521 482 H LEU 58 H LEU 58 4.889 -14.067 -4.508 483 HA LEU 58 HA LEU 58 4.322 -12.003 -2.619 484 HB2 LEU 58 1HB LEU 58 5.886 -13.923 -2.283 485 HB3 LEU 58 2HB LEU 58 7.011 -13.181 -3.412 486 HG LEU 58 HG LEU 58 7.232 -11.243 -1.842 487 HD11 LEU 58 1HD1 LEU 58 6.503 -11.599 0.512 488 HD12 LEU 58 2HD1 LEU 58 5.613 -13.051 0.000 489 HD13 LEU 58 3HD1 LEU 58 5.132 -11.449 -0.601 490 HD21 LEU 58 1HD2 LEU 58 8.662 -12.467 -0.252 491 HD22 LEU 58 2HD2 LEU 58 8.861 -13.088 -1.904 492 HD23 LEU 58 3HD2 LEU 58 7.886 -13.997 -0.722 493 H ARG 59 H ARG 59 6.596 -12.029 -5.439 494 HA ARG 59 HA ARG 59 7.363 -9.286 -5.098 495 HB2 ARG 59 1HB ARG 59 7.390 -11.156 -7.479 496 HB3 ARG 59 2HB ARG 59 7.965 -9.484 -7.581 497 HG2 ARG 59 1HG ARG 59 9.678 -9.889 -5.924 498 HG3 ARG 59 2HG ARG 59 9.039 -11.506 -5.589 499 HD2 ARG 59 1HD ARG 59 10.962 -11.739 -6.999 500 HD3 ARG 59 2HD ARG 59 9.518 -12.151 -7.941 501 HE ARG 59 HE ARG 59 10.083 -9.403 -8.327 502 HH11 ARG 59 1HH1 ARG 59 11.513 -12.540 -9.158 503 HH12 ARG 59 2HH1 ARG 59 12.245 -11.898 -10.614 504 HH21 ARG 59 1HH2 ARG 59 11.058 -8.684 -10.189 505 HH22 ARG 59 2HH2 ARG 59 12.009 -9.764 -11.169 506 H ASP 60 H ASP 60 4.642 -10.770 -6.863 507 HA ASP 60 HA ASP 60 3.930 -8.316 -8.206 508 HB2 ASP 60 1HB ASP 60 2.442 -10.888 -7.643 509 HB3 ASP 60 2HB ASP 60 1.677 -9.514 -8.451 510 H GLU 61 H GLU 61 2.851 -9.774 -5.086 511 HA GLU 61 HA GLU 61 0.767 -7.774 -4.770 512 HB2 GLU 61 1HB GLU 61 0.363 -8.751 -2.656 513 HB3 GLU 61 2HB GLU 61 0.792 -10.066 -3.732 514 HG2 GLU 61 1HG GLU 61 3.100 -9.978 -2.775 515 HG3 GLU 61 2HG GLU 61 2.532 -8.794 -1.603 516 H ILE 62 H ILE 62 4.122 -8.147 -3.508 517 HA ILE 62 HA ILE 62 4.106 -5.653 -2.131 518 HB ILE 62 HB ILE 62 6.487 -7.104 -3.376 519 HG12 ILE 62 1HG1 ILE 62 5.369 -7.192 -0.543 520 HG13 ILE 62 2HG1 ILE 62 5.083 -8.438 -1.723 521 HG21 ILE 62 1HG2 ILE 62 7.780 -5.822 -1.645 522 HG22 ILE 62 2HG2 ILE 62 6.968 -4.732 -2.778 523 HG23 ILE 62 3HG2 ILE 62 6.276 -5.000 -1.162 524 HD11 ILE 62 1HD1 ILE 62 7.765 -7.700 -0.515 525 HD12 ILE 62 2HD1 ILE 62 6.828 -9.181 -0.256 526 HD13 ILE 62 3HD1 ILE 62 7.550 -8.862 -1.848 527 H ASN 63 H ASN 63 4.552 -6.492 -5.584 528 HA ASN 63 HA ASN 63 5.444 -3.855 -6.362 529 HB2 ASN 63 1HB ASN 63 5.625 -5.868 -7.831 530 HB3 ASN 63 2HB ASN 63 3.869 -5.860 -8.006 531 HD21 ASN 63 1HD2 ASN 63 3.913 -3.644 -10.631 532 HD22 ASN 63 2HD2 ASN 63 3.111 -4.909 -9.733 533 H LEU 64 H LEU 64 2.227 -5.290 -5.783 534 HA LEU 64 HA LEU 64 0.740 -3.016 -6.809 535 HB2 LEU 64 1HB LEU 64 -0.349 -5.183 -6.429 536 HB3 LEU 64 2HB LEU 64 0.052 -5.108 -4.721 537 HG LEU 64 HG LEU 64 -1.403 -3.111 -4.461 538 HD11 LEU 64 1HD1 LEU 64 -3.112 -2.697 -6.241 539 HD12 LEU 64 2HD1 LEU 64 -2.180 -3.747 -7.337 540 HD13 LEU 64 3HD1 LEU 64 -1.472 -2.236 -6.725 541 HD21 LEU 64 1HD2 LEU 64 -3.495 -4.429 -4.595 542 HD22 LEU 64 2HD2 LEU 64 -2.152 -5.314 -3.850 543 HD23 LEU 64 3HD2 LEU 64 -2.619 -5.676 -5.523 544 H ALA 65 H ALA 65 1.952 -4.002 -3.550 545 HA ALA 65 HA ALA 65 0.980 -1.670 -2.202 546 HB1 ALA 65 1HB ALA 65 3.471 -3.314 -1.645 547 HB2 ALA 65 2HB ALA 65 2.686 -2.180 -0.523 548 HB3 ALA 65 3HB ALA 65 1.830 -3.648 -1.039 549 H LYS 66 H LYS 66 3.913 -2.253 -4.122 550 HA LYS 66 HA LYS 66 5.225 0.235 -3.567 551 HB2 LYS 66 1HB LYS 66 6.200 -1.820 -4.686 552 HB3 LYS 66 2HB LYS 66 5.302 -1.371 -6.130 553 HG2 LYS 66 1HG LYS 66 6.565 0.875 -6.023 554 HG3 LYS 66 2HG LYS 66 7.616 0.071 -4.840 555 HD2 LYS 66 1HD LYS 66 8.711 -0.293 -6.890 556 HD3 LYS 66 2HD LYS 66 7.816 -1.806 -6.630 557 HE2 LYS 66 1HE LYS 66 5.949 -0.844 -8.062 558 HE3 LYS 66 2HE LYS 66 7.010 0.534 -8.418 559 HZ1 LYS 66 1HZ LYS 66 7.242 -1.020 -10.158 560 HZ2 LYS 66 2HZ LYS 66 7.410 -2.303 -9.139 561 HZ3 LYS 66 3HZ LYS 66 8.622 -1.179 -9.265 562 H GLN 67 H GLN 67 2.671 -0.677 -5.896 563 HA GLN 67 HA GLN 67 2.738 1.808 -7.366 564 HB2 GLN 67 1HB GLN 67 1.594 -0.276 -8.164 565 HB3 GLN 67 2HB GLN 67 0.394 -0.076 -6.886 566 HG2 GLN 67 1HG GLN 67 -0.277 2.100 -7.858 567 HG3 GLN 67 2HG GLN 67 0.875 1.841 -9.180 568 HE21 GLN 67 1HE2 GLN 67 -2.793 0.470 -9.596 569 HE22 GLN 67 2HE2 GLN 67 -2.286 1.762 -8.537 570 H GLU 68 H GLU 68 0.740 0.588 -4.612 571 HA GLU 68 HA GLU 68 -0.669 2.974 -4.062 572 HB2 GLU 68 1HB GLU 68 -0.875 0.648 -2.998 573 HB3 GLU 68 2HB GLU 68 0.508 1.079 -2.000 574 HG2 GLU 68 1HG GLU 68 -0.828 3.088 -1.239 575 HG3 GLU 68 2HG GLU 68 -2.223 2.331 -2.015 576 H ALA 69 H ALA 69 2.539 1.896 -2.826 577 HA ALA 69 HA ALA 69 3.042 4.172 -1.226 578 HB1 ALA 69 1HB ALA 69 5.407 3.487 -1.353 579 HB2 ALA 69 2HB ALA 69 4.333 2.098 -1.073 580 HB3 ALA 69 3HB ALA 69 5.018 2.383 -2.692 581 H GLN 70 H GLN 70 3.628 3.712 -4.749 582 HA GLN 70 HA GLN 70 5.162 6.122 -5.061 583 HB2 GLN 70 1HB GLN 70 4.240 4.104 -6.776 584 HB3 GLN 70 2HB GLN 70 3.387 5.549 -7.317 585 HG2 GLN 70 1HG GLN 70 6.354 5.014 -7.259 586 HG3 GLN 70 2HG GLN 70 5.345 5.513 -8.621 587 HE21 GLN 70 1HE2 GLN 70 5.433 9.016 -7.729 588 HE22 GLN 70 2HE2 GLN 70 4.428 7.800 -8.471 589 H ARG 71 H ARG 71 1.672 5.403 -5.213 590 HA ARG 71 HA ARG 71 0.826 8.027 -5.990 591 HB2 ARG 71 1HB ARG 71 -0.558 5.899 -4.307 592 HB3 ARG 71 2HB ARG 71 -1.352 7.333 -4.937 593 HG2 ARG 71 1HG ARG 71 0.015 5.413 -6.830 594 HG3 ARG 71 2HG ARG 71 -1.608 5.060 -6.200 595 HD2 ARG 71 1HD ARG 71 -2.450 7.144 -7.037 596 HD3 ARG 71 2HD ARG 71 -0.845 7.651 -7.518 597 HE ARG 71 HE ARG 71 -2.563 5.686 -8.891 598 HH11 ARG 71 1HH1 ARG 71 0.470 7.520 -8.901 599 HH12 ARG 71 2HH1 ARG 71 0.824 7.057 -10.544 600 HH21 ARG 71 1HH2 ARG 71 -2.091 5.244 -10.969 601 HH22 ARG 71 2HH2 ARG 71 -0.607 5.811 -11.703 602 H LEU 72 H LEU 72 1.584 6.556 -2.803 603 HA LEU 72 HA LEU 72 0.728 8.875 -1.334 604 HB2 LEU 72 1HB LEU 72 2.336 6.444 -0.635 605 HB3 LEU 72 2HB LEU 72 1.965 7.731 0.540 606 HG LEU 72 HG LEU 72 -0.286 6.670 -1.137 607 HD11 LEU 72 1HD1 LEU 72 -0.745 4.854 0.404 608 HD12 LEU 72 2HD1 LEU 72 0.788 5.171 1.215 609 HD13 LEU 72 3HD1 LEU 72 0.786 4.626 -0.456 610 HD21 LEU 72 1HD2 LEU 72 -0.096 7.518 1.763 611 HD22 LEU 72 2HD2 LEU 72 -1.586 7.086 0.899 612 HD23 LEU 72 3HD2 LEU 72 -0.666 8.525 0.421 613 H LYS 73 H LYS 73 3.788 7.904 -2.815 614 HA LYS 73 HA LYS 73 5.334 10.026 -1.564 615 HB2 LYS 73 1HB LYS 73 5.713 8.446 -4.125 616 HB3 LYS 73 2HB LYS 73 6.878 9.642 -3.546 617 HG2 LYS 73 1HG LYS 73 7.408 8.366 -1.631 618 HG3 LYS 73 2HG LYS 73 5.982 7.341 -1.828 619 HD2 LYS 73 1HD LYS 73 6.931 6.515 -3.982 620 HD3 LYS 73 2HD LYS 73 8.429 7.389 -3.598 621 HE2 LYS 73 1HE LYS 73 8.652 6.099 -1.516 622 HE3 LYS 73 2HE LYS 73 7.103 5.286 -1.841 623 HZ1 LYS 73 1HZ LYS 73 9.513 5.105 -3.545 624 HZ2 LYS 73 2HZ LYS 73 8.074 4.353 -3.835 625 HZ3 LYS 73 3HZ LYS 73 8.975 3.929 -2.518 626 H GLU 74 H GLU 74 3.494 9.720 -4.627 627 HA GLU 74 HA GLU 74 4.232 12.289 -5.643 628 HB2 GLU 74 1HB GLU 74 3.005 10.257 -6.751 629 HB3 GLU 74 2HB GLU 74 1.538 11.014 -6.131 630 HG2 GLU 74 1HG GLU 74 1.797 11.757 -8.374 631 HG3 GLU 74 2HG GLU 74 2.229 13.129 -7.345 632 H LEU 75 H LEU 75 1.563 11.175 -3.550 633 HA LEU 75 HA LEU 75 0.205 13.671 -3.267 634 HB2 LEU 75 1HB LEU 75 0.531 11.202 -1.562 635 HB3 LEU 75 2HB LEU 75 -0.307 12.599 -0.916 636 HG LEU 75 HG LEU 75 -1.195 11.383 -3.519 637 HD11 LEU 75 1HD1 LEU 75 -1.950 10.490 -0.710 638 HD12 LEU 75 2HD1 LEU 75 -1.097 9.532 -1.944 639 HD13 LEU 75 3HD1 LEU 75 -2.770 10.002 -2.211 640 HD21 LEU 75 1HD2 LEU 75 -2.653 12.832 -1.277 641 HD22 LEU 75 2HD2 LEU 75 -3.332 12.324 -2.834 642 HD23 LEU 75 3HD2 LEU 75 -2.094 13.579 -2.798 643 H ARG 76 H ARG 76 2.847 12.160 -1.407 644 HA ARG 76 HA ARG 76 3.086 14.116 0.620 645 HB2 ARG 76 1HB ARG 76 4.326 12.294 1.173 646 HB3 ARG 76 2HB ARG 76 4.662 11.896 -0.497 647 HG2 ARG 76 1HG ARG 76 6.767 12.225 0.447 648 HG3 ARG 76 2HG ARG 76 6.482 13.703 -0.465 649 HD2 ARG 76 1HD ARG 76 5.529 13.847 2.316 650 HD3 ARG 76 2HD ARG 76 7.271 13.536 2.189 651 HE ARG 76 HE ARG 76 5.795 15.923 1.247 652 HH11 ARG 76 1HH1 ARG 76 8.930 14.303 1.464 653 HH12 ARG 76 2HH1 ARG 76 9.798 15.749 1.040 654 HH21 ARG 76 1HH2 ARG 76 6.967 17.700 0.728 655 HH22 ARG 76 2HH2 ARG 76 8.705 17.639 0.631 656 H GLU 77 H GLU 77 4.560 14.025 -2.651 657 HA GLU 77 HA GLU 77 6.154 16.384 -2.119 658 HB2 GLU 77 1HB GLU 77 5.399 14.938 -4.665 659 HB3 GLU 77 2HB GLU 77 6.396 16.399 -4.650 660 HG2 GLU 77 1HG GLU 77 7.040 13.774 -3.266 661 HG3 GLU 77 2HG GLU 77 7.832 14.429 -4.709 662 H GLY 78 H GLY 78 2.828 16.080 -2.492 663 HA2 GLY 78 1HA GLY 78 2.400 18.653 -3.817 664 HA3 GLY 78 2HA GLY 78 1.199 17.670 -2.950 665 H THR 79 H THR 79 0.495 19.772 -2.022 666 HA THR 79 HA THR 79 1.762 20.158 0.578 667 HB THR 79 HB THR 79 3.125 21.713 -0.875 668 HG1 THR 79 HG1 THR 79 2.994 22.381 1.170 669 HG21 THR 79 1HG2 THR 79 1.266 22.280 -2.466 670 HG22 THR 79 2HG2 THR 79 2.199 23.660 -1.853 671 HG23 THR 79 3HG2 THR 79 0.591 23.320 -1.192 672 H GLU 80 H GLU 80 0.235 22.532 1.190 673 HA GLU 80 HA GLU 80 -2.315 21.307 1.624 674 HB2 GLU 80 1HB GLU 80 -2.921 23.319 2.712 675 HB3 GLU 80 2HB GLU 80 -1.221 22.996 3.059 676 HG2 GLU 80 1HG GLU 80 -0.557 24.704 1.410 677 HG3 GLU 80 2HG GLU 80 -2.262 25.034 1.066 678 H ASN 81 H ASN 81 -1.234 22.407 -1.255 679 HA ASN 81 HA ASN 81 -3.963 22.599 -2.321 680 HB2 ASN 81 1HB ASN 81 -3.487 24.605 -3.629 681 HB3 ASN 81 2HB ASN 81 -3.283 24.989 -1.913 682 HD21 ASN 81 1HD2 ASN 81 0.069 25.849 -2.197 683 HD22 ASN 81 2HD2 ASN 81 -1.337 25.654 -1.178 684 H GLU 82 H GLU 82 -3.730 22.386 -4.777 685 HA GLU 82 HA GLU 82 -1.624 20.430 -5.324 686 HB2 GLU 82 1HB GLU 82 -4.041 21.386 -6.862 687 HB3 GLU 82 2HB GLU 82 -2.862 20.239 -7.516 688 HG2 GLU 82 1HG GLU 82 -3.235 18.768 -5.510 689 HG3 GLU 82 2HG GLU 82 -4.498 19.878 -4.967 690 H ARG 83 H ARG 83 -0.062 22.078 -4.902 691 HA ARG 83 HA ARG 83 0.644 24.244 -6.584 692 HB2 ARG 83 1HB ARG 83 1.479 23.533 -4.296 693 HB3 ARG 83 2HB ARG 83 2.445 22.305 -5.093 694 HG2 ARG 83 1HG ARG 83 3.039 24.878 -6.263 695 HG3 ARG 83 2HG ARG 83 3.108 25.009 -4.500 696 HD2 ARG 83 1HD ARG 83 4.550 22.891 -6.137 697 HD3 ARG 83 2HD ARG 83 5.294 24.371 -5.519 698 HE ARG 83 HE ARG 83 4.986 23.574 -3.257 699 HH11 ARG 83 1HH1 ARG 83 4.420 21.062 -5.732 700 HH12 ARG 83 2HH1 ARG 83 4.696 19.770 -4.586 701 HH21 ARG 83 1HH2 ARG 83 5.290 21.823 -1.902 702 HH22 ARG 83 2HH2 ARG 83 5.142 20.182 -2.504 703 H SER 84 H SER 84 2.612 24.298 -8.005 704 HA SER 84 HA SER 84 3.584 23.771 -10.005 705 HB2 SER 84 1HB SER 84 3.737 21.006 -8.753 706 HB3 SER 84 2HB SER 84 4.686 21.571 -10.145 707 HG SER 84 HG SER 84 5.818 21.756 -8.162 708 H ARG 85 H ARG 85 0.644 23.446 -9.819 709 HA ARG 85 HA ARG 85 -1.117 22.720 -11.060 710 HB2 ARG 85 1HB ARG 85 0.553 23.660 -12.844 711 HB3 ARG 85 2HB ARG 85 0.770 21.966 -13.295 712 HG2 ARG 85 1HG ARG 85 -1.732 21.828 -13.650 713 HG3 ARG 85 2HG ARG 85 -1.811 23.576 -13.365 714 HD2 ARG 85 1HD ARG 85 -0.254 23.948 -15.242 715 HD3 ARG 85 2HD ARG 85 -0.156 22.194 -15.507 716 HE ARG 85 HE ARG 85 -2.887 22.981 -15.586 717 HH11 ARG 85 1HH1 ARG 85 0.032 23.293 -17.544 718 HH12 ARG 85 2HH1 ARG 85 -0.867 23.439 -19.030 719 HH21 ARG 85 1HH2 ARG 85 -3.968 23.162 -17.523 720 HH22 ARG 85 2HH2 ARG 85 -3.091 23.366 -19.015 721 H GLN 86 H GLN 86 0.308 20.787 -9.314 722 HA GLN 86 HA GLN 86 0.020 18.189 -10.676 723 HB2 GLN 86 1HB GLN 86 0.430 18.971 -7.760 724 HB3 GLN 86 2HB GLN 86 0.326 17.300 -8.326 725 HG2 GLN 86 1HG GLN 86 2.350 17.489 -9.578 726 HG3 GLN 86 2HG GLN 86 2.403 19.244 -9.356 727 HE21 GLN 86 1HE2 GLN 86 3.753 16.747 -6.418 728 HE22 GLN 86 2HE2 GLN 86 2.898 16.118 -7.802 729 H LYS 87 H LYS 87 -2.181 19.293 -11.298 730 HA LYS 87 HA LYS 87 -4.289 19.319 -9.307 731 HB2 LYS 87 1HB LYS 87 -3.845 20.101 -12.077 732 HB3 LYS 87 2HB LYS 87 -5.419 19.328 -11.909 733 HG2 LYS 87 1HG LYS 87 -4.491 21.553 -10.081 734 HG3 LYS 87 2HG LYS 87 -5.357 21.856 -11.601 735 HD2 LYS 87 1HD LYS 87 -7.340 20.894 -10.829 736 HD3 LYS 87 2HD LYS 87 -6.505 19.890 -9.638 737 HE2 LYS 87 1HE LYS 87 -5.871 22.146 -8.500 738 HE3 LYS 87 2HE LYS 87 -7.225 22.811 -9.453 739 HZ1 LYS 87 1HZ LYS 87 -7.338 20.490 -7.597 740 HZ2 LYS 87 2HZ LYS 87 -8.619 21.044 -8.483 741 HZ3 LYS 87 3HZ LYS 87 -7.970 21.988 -7.293 742 H TYR 88 H TYR 88 -2.875 16.786 -9.690 743 HA TYR 88 HA TYR 88 -5.237 15.030 -10.082 744 HB2 TYR 88 1HB TYR 88 -3.861 13.424 -11.273 745 HB3 TYR 88 2HB TYR 88 -3.770 14.973 -12.123 746 HD1 TYR 88 HD1 TYR 88 -1.641 16.370 -11.945 747 HD2 TYR 88 HD2 TYR 88 -1.913 12.414 -10.258 748 HE1 TYR 88 HE1 TYR 88 0.855 16.276 -11.726 749 HE2 TYR 88 HE2 TYR 88 0.561 12.335 -10.055 750 HH TYR 88 HH TYR 88 2.680 15.022 -10.968 751 H ALA 89 H ALA 89 -3.105 16.325 -7.950 752 HA ALA 89 HA ALA 89 -1.769 14.048 -6.886 753 HB1 ALA 89 1HB ALA 89 -1.350 15.466 -4.919 754 HB2 ALA 89 2HB ALA 89 -1.076 16.380 -6.420 755 HB3 ALA 89 3HB ALA 89 -2.568 16.634 -5.481 756 H GLU 90 H GLU 90 -4.885 15.633 -5.862 757 HA GLU 90 HA GLU 90 -5.174 13.612 -3.774 758 HB2 GLU 90 1HB GLU 90 -7.194 15.554 -4.916 759 HB3 GLU 90 2HB GLU 90 -7.455 14.528 -3.496 760 HG2 GLU 90 1HG GLU 90 -5.305 16.686 -3.764 761 HG3 GLU 90 2HG GLU 90 -6.810 16.842 -2.854 762 H GLU 91 H GLU 91 -5.792 13.651 -7.167 763 HA GLU 91 HA GLU 91 -7.718 11.466 -7.204 764 HB2 GLU 91 1HB GLU 91 -7.670 12.747 -9.172 765 HB3 GLU 91 2HB GLU 91 -5.928 12.814 -9.212 766 HG2 GLU 91 1HG GLU 91 -6.604 11.453 -11.026 767 HG3 GLU 91 2HG GLU 91 -5.849 10.395 -9.833 768 H GLU 92 H GLU 92 -4.165 11.816 -6.933 769 HA GLU 92 HA GLU 92 -3.559 9.048 -7.417 770 HB2 GLU 92 1HB GLU 92 -2.133 10.978 -5.548 771 HB3 GLU 92 2HB GLU 92 -1.512 9.431 -6.061 772 HG2 GLU 92 1HG GLU 92 -2.176 11.532 -8.111 773 HG3 GLU 92 2HG GLU 92 -0.668 11.617 -7.204 774 H LEU 93 H LEU 93 -4.818 10.873 -4.652 775 HA LEU 93 HA LEU 93 -4.548 8.762 -2.700 776 HB2 LEU 93 1HB LEU 93 -5.251 11.392 -2.614 777 HB3 LEU 93 2HB LEU 93 -6.834 10.654 -2.475 778 HG LEU 93 HG LEU 93 -4.496 10.099 -0.617 779 HD11 LEU 93 1HD1 LEU 93 -5.267 12.433 -0.483 780 HD12 LEU 93 2HD1 LEU 93 -5.701 11.528 0.982 781 HD13 LEU 93 3HD1 LEU 93 -6.939 11.877 -0.252 782 HD21 LEU 93 1HD2 LEU 93 -7.426 9.315 -0.466 783 HD22 LEU 93 2HD2 LEU 93 -6.273 9.171 0.883 784 HD23 LEU 93 3HD2 LEU 93 -6.028 8.228 -0.596 785 H GLU 94 H GLU 94 -7.152 9.722 -4.989 786 HA GLU 94 HA GLU 94 -9.016 7.746 -4.041 787 HB2 GLU 94 1HB GLU 94 -8.729 8.923 -6.829 788 HB3 GLU 94 2HB GLU 94 -10.101 7.979 -6.241 789 HG2 GLU 94 1HG GLU 94 -9.211 10.715 -5.271 790 HG3 GLU 94 2HG GLU 94 -10.686 10.322 -6.164 791 H GLN 95 H GLN 95 -6.288 7.647 -6.327 792 HA GLN 95 HA GLN 95 -6.832 4.864 -7.017 793 HB2 GLN 95 1HB GLN 95 -4.476 6.673 -7.507 794 HB3 GLN 95 2HB GLN 95 -4.543 4.981 -8.030 795 HG2 GLN 95 1HG GLN 95 -6.627 5.478 -9.288 796 HG3 GLN 95 2HG GLN 95 -6.482 7.179 -8.827 797 HE21 GLN 95 1HE2 GLN 95 -4.778 7.751 -11.778 798 HE22 GLN 95 2HE2 GLN 95 -6.159 8.103 -10.750 799 H VAL 96 H VAL 96 -5.214 6.394 -4.303 800 HA VAL 96 HA VAL 96 -3.706 4.019 -3.498 801 HB VAL 96 HB VAL 96 -4.857 6.347 -1.851 802 HG11 VAL 96 1HG1 VAL 96 -4.832 4.422 -0.374 803 HG12 VAL 96 2HG1 VAL 96 -3.178 4.018 -0.867 804 HG13 VAL 96 3HG1 VAL 96 -3.492 5.498 0.056 805 HG21 VAL 96 1HG2 VAL 96 -2.566 7.051 -1.589 806 HG22 VAL 96 2HG2 VAL 96 -1.989 5.617 -2.469 807 HG23 VAL 96 3HG2 VAL 96 -2.927 6.866 -3.307 808 H ARG 97 H ARG 97 -6.998 5.368 -3.016 809 HA ARG 97 HA ARG 97 -7.918 3.216 -1.352 810 HB2 ARG 97 1HB ARG 97 -9.622 4.732 -3.358 811 HB3 ARG 97 2HB ARG 97 -10.177 3.837 -1.951 812 HG2 ARG 97 1HG ARG 97 -8.921 5.484 -0.514 813 HG3 ARG 97 2HG ARG 97 -8.622 6.417 -1.989 814 HD2 ARG 97 1HD ARG 97 -11.270 6.064 -2.255 815 HD3 ARG 97 2HD ARG 97 -11.158 6.019 -0.486 816 HE ARG 97 HE ARG 97 -10.788 8.309 -2.274 817 HH11 ARG 97 1HH1 ARG 97 -10.019 7.089 0.965 818 HH12 ARG 97 2HH1 ARG 97 -9.757 8.689 1.599 819 HH21 ARG 97 1HH2 ARG 97 -10.403 10.281 -1.422 820 HH22 ARG 97 2HH2 ARG 97 -9.981 10.475 0.271 821 H GLU 98 H GLU 98 -7.756 3.592 -4.923 822 HA GLU 98 HA GLU 98 -9.088 1.093 -5.432 823 HB2 GLU 98 1HB GLU 98 -8.720 2.870 -7.158 824 HB3 GLU 98 2HB GLU 98 -7.002 2.437 -7.180 825 HG2 GLU 98 1HG GLU 98 -7.612 0.116 -7.841 826 HG3 GLU 98 2HG GLU 98 -9.319 0.576 -7.842 827 H ALA 99 H ALA 99 -5.601 1.929 -5.069 828 HA ALA 99 HA ALA 99 -4.541 -0.641 -5.635 829 HB1 ALA 99 1HB ALA 99 -3.542 1.422 -3.646 830 HB2 ALA 99 2HB ALA 99 -2.604 0.077 -4.335 831 HB3 ALA 99 3HB ALA 99 -3.180 1.393 -5.387 832 H LEU 100 H LEU 100 -5.580 0.798 -2.496 833 HA LEU 100 HA LEU 100 -5.070 -1.559 -0.955 834 HB2 LEU 100 1HB LEU 100 -6.918 0.811 -0.592 835 HB3 LEU 100 2HB LEU 100 -6.861 -0.500 0.585 836 HG LEU 100 HG LEU 100 -4.421 1.117 -0.211 837 HD11 LEU 100 1HD1 LEU 100 -4.755 2.366 1.873 838 HD12 LEU 100 2HD1 LEU 100 -6.282 1.494 2.169 839 HD13 LEU 100 3HD1 LEU 100 -6.130 2.589 0.772 840 HD21 LEU 100 1HD2 LEU 100 -3.875 -1.048 0.791 841 HD22 LEU 100 2HD2 LEU 100 -5.010 -0.752 2.133 842 HD23 LEU 100 3HD2 LEU 100 -3.539 0.239 1.955 843 H ARG 101 H ARG 101 -8.073 -0.394 -2.561 844 HA ARG 101 HA ARG 101 -9.686 -2.554 -1.593 845 HB2 ARG 101 1HB ARG 101 -10.446 -0.370 -2.622 846 HB3 ARG 101 2HB ARG 101 -10.066 -1.063 -4.206 847 HG2 ARG 101 1HG ARG 101 -11.686 -2.871 -3.789 848 HG3 ARG 101 2HG ARG 101 -12.024 -2.192 -2.182 849 HD2 ARG 101 1HD ARG 101 -12.723 -0.067 -3.285 850 HD3 ARG 101 2HD ARG 101 -12.513 -0.861 -4.862 851 HE ARG 101 HE ARG 101 -14.192 -2.460 -3.195 852 HH11 ARG 101 1HH1 ARG 101 -14.317 0.567 -5.008 853 HH12 ARG 101 2HH1 ARG 101 -16.042 0.472 -5.237 854 HH21 ARG 101 1HH2 ARG 101 -16.389 -2.510 -3.504 855 HH22 ARG 101 2HH2 ARG 101 -17.196 -1.247 -4.395 856 H LYS 102 H LYS 102 -7.545 -2.263 -4.427 857 HA LYS 102 HA LYS 102 -8.456 -4.729 -5.631 858 HB2 LYS 102 1HB LYS 102 -7.120 -2.923 -6.783 859 HB3 LYS 102 2HB LYS 102 -5.702 -3.456 -5.878 860 HG2 LYS 102 1HG LYS 102 -7.195 -5.546 -7.434 861 HG3 LYS 102 2HG LYS 102 -6.301 -4.331 -8.365 862 HD2 LYS 102 1HD LYS 102 -4.256 -4.859 -7.104 863 HD3 LYS 102 2HD LYS 102 -5.123 -6.102 -6.191 864 HE2 LYS 102 1HE LYS 102 -5.544 -7.349 -8.263 865 HE3 LYS 102 2HE LYS 102 -4.721 -6.082 -9.202 866 HZ1 LYS 102 1HZ LYS 102 -2.705 -6.572 -7.878 867 HZ2 LYS 102 2HZ LYS 102 -3.200 -7.877 -8.755 868 HZ3 LYS 102 3HZ LYS 102 -3.482 -7.826 -7.134 869 H ALA 103 H ALA 103 -5.975 -3.883 -3.190 870 HA ALA 103 HA ALA 103 -4.893 -6.539 -3.000 871 HB1 ALA 103 1HB ALA 103 -3.759 -4.501 -2.082 872 HB2 ALA 103 2HB ALA 103 -5.036 -4.358 -0.857 873 HB3 ALA 103 3HB ALA 103 -3.961 -5.767 -0.848 874 H GLU 104 H GLU 104 -7.483 -4.812 -1.195 875 HA GLU 104 HA GLU 104 -8.153 -6.911 0.599 876 HB2 GLU 104 1HB GLU 104 -9.865 -4.776 -0.719 877 HB3 GLU 104 2HB GLU 104 -10.469 -5.850 0.545 878 HG2 GLU 104 1HG GLU 104 -8.857 -4.962 2.139 879 HG3 GLU 104 2HG GLU 104 -8.124 -3.954 0.889 880 H LYS 105 H LYS 105 -9.458 -6.155 -2.654 881 HA LYS 105 HA LYS 105 -11.235 -8.384 -2.774 882 HB2 LYS 105 1HB LYS 105 -11.224 -6.337 -4.221 883 HB3 LYS 105 2HB LYS 105 -9.821 -7.001 -5.069 884 HG2 LYS 105 1HG LYS 105 -11.165 -8.928 -5.806 885 HG3 LYS 105 2HG LYS 105 -12.549 -8.330 -4.871 886 HD2 LYS 105 1HD LYS 105 -12.924 -7.699 -7.142 887 HD3 LYS 105 2HD LYS 105 -12.475 -6.224 -6.263 888 HE2 LYS 105 1HE LYS 105 -10.140 -6.456 -7.101 889 HE3 LYS 105 2HE LYS 105 -10.618 -7.916 -7.994 890 HZ1 LYS 105 1HZ LYS 105 -12.177 -6.548 -9.248 891 HZ2 LYS 105 2HZ LYS 105 -10.642 -5.962 -9.409 892 HZ3 LYS 105 3HZ LYS 105 -11.718 -5.197 -8.421 893 H GLU 106 H GLU 106 -7.763 -8.105 -3.515 894 HA GLU 106 HA GLU 106 -7.616 -10.685 -4.812 895 HB2 GLU 106 1HB GLU 106 -5.803 -8.600 -4.249 896 HB3 GLU 106 2HB GLU 106 -5.221 -9.981 -3.318 897 HG2 GLU 106 1HG GLU 106 -5.482 -11.333 -5.471 898 HG3 GLU 106 2HG GLU 106 -5.647 -9.770 -6.294 899 H LEU 107 H LEU 107 -7.219 -9.500 -1.438 900 HA LEU 107 HA LEU 107 -6.543 -12.103 -0.411 901 HB2 LEU 107 1HB LEU 107 -7.733 -9.657 0.922 902 HB3 LEU 107 2HB LEU 107 -7.225 -11.105 1.794 903 HG LEU 107 HG LEU 107 -5.372 -9.426 0.060 904 HD11 LEU 107 1HD1 LEU 107 -4.445 -8.624 2.222 905 HD12 LEU 107 2HD1 LEU 107 -5.791 -9.429 3.062 906 HD13 LEU 107 3HD1 LEU 107 -6.115 -8.095 1.933 907 HD21 LEU 107 1HD2 LEU 107 -4.482 -11.627 0.205 908 HD22 LEU 107 2HD2 LEU 107 -4.908 -11.779 1.920 909 HD23 LEU 107 3HD2 LEU 107 -3.605 -10.682 1.412 910 H GLU 108 H GLU 108 -9.659 -10.458 -0.990 911 HA GLU 108 HA GLU 108 -11.341 -12.408 0.256 912 HB2 GLU 108 1HB GLU 108 -11.759 -10.735 -2.248 913 HB3 GLU 108 2HB GLU 108 -13.003 -11.766 -1.560 914 HG2 GLU 108 1HG GLU 108 -13.090 -10.427 0.449 915 HG3 GLU 108 2HG GLU 108 -11.709 -9.461 -0.085 916 H SER 109 H SER 109 -10.015 -12.204 -3.099 917 HA SER 109 HA SER 109 -11.172 -14.662 -3.965 918 HB2 SER 109 1HB SER 109 -9.704 -14.554 -5.851 919 HB3 SER 109 2HB SER 109 -10.244 -12.911 -5.467 920 HG SER 109 HG SER 109 -8.115 -12.938 -4.165 921 H HIS 110 H HIS 110 -8.215 -14.028 -2.134 922 HA HIS 110 HA HIS 110 -7.167 -16.724 -2.555 923 HB2 HIS 110 1HB HIS 110 -6.430 -14.635 -0.462 924 HB3 HIS 110 2HB HIS 110 -5.513 -16.100 -0.834 925 HD1 HIS 110 HD1 HIS 110 -5.878 -15.713 -4.088 926 HD2 HIS 110 HD2 HIS 110 -4.372 -12.914 -1.322 927 HE1 HIS 110 HE1 HIS 110 -4.442 -14.067 -5.390 928 H SER 111 H SER 111 -9.556 -15.283 -0.523 929 HA SER 111 HA SER 111 -9.503 -17.625 1.343 930 HB2 SER 111 1HB SER 111 -10.964 -16.161 2.759 931 HB3 SER 111 2HB SER 111 -9.333 -15.509 2.486 932 HG SER 111 HG SER 111 -10.121 -14.058 1.050 933 H SER 112 H SER 112 -10.942 -16.737 -1.478 934 HA SER 112 HA SER 112 -13.731 -17.216 -0.977 935 HB2 SER 112 1HB SER 112 -12.086 -17.238 -3.523 936 HB3 SER 112 2HB SER 112 -13.853 -17.396 -3.479 937 HG SER 112 HG SER 112 -12.555 -15.249 -2.169 938 H TRP 113 H TRP 113 -11.681 -19.485 -0.299 939 HA TRP 113 HA TRP 113 -11.960 -21.626 -2.047 940 HB2 TRP 113 1HB TRP 113 -10.733 -22.674 -0.521 941 HB3 TRP 113 2HB TRP 113 -10.772 -21.166 0.389 942 HD1 TRP 113 HD1 TRP 113 -11.750 -24.766 0.596 943 HE1 TRP 113 HE1 TRP 113 -13.007 -25.311 2.730 944 HE3 TRP 113 HE3 TRP 113 -12.679 -19.971 2.110 945 HZ2 TRP 113 HZ2 TRP 113 -14.224 -23.864 4.868 946 HZ3 TRP 113 HZ3 TRP 113 -13.907 -19.606 4.256 947 HH2 TRP 113 HH2 TRP 113 -14.668 -21.551 5.620 948 H TYR 114 H TYR 114 -13.010 -23.609 -1.973 949 HA TYR 114 HA TYR 114 -15.562 -23.840 -0.514 950 HB2 TYR 114 1HB TYR 114 -16.136 -22.824 -2.737 951 HB3 TYR 114 2HB TYR 114 -15.254 -24.127 -3.542 952 HD1 TYR 114 HD1 TYR 114 -16.204 -26.391 -3.701 953 HD2 TYR 114 HD2 TYR 114 -18.318 -23.257 -1.641 954 HE1 TYR 114 HE1 TYR 114 -18.260 -27.796 -3.668 955 HE2 TYR 114 HE2 TYR 114 -20.379 -24.671 -1.626 956 HH TYR 114 HH TYR 114 -20.401 -27.993 -2.926 957 H ALA 115 H ALA 115 -16.053 -26.173 -0.347 958 HA ALA 115 HA ALA 115 -14.149 -28.090 -1.482 959 HB1 ALA 115 1HB ALA 115 -12.916 -27.337 0.555 960 HB2 ALA 115 2HB ALA 115 -14.373 -27.627 1.543 961 HB3 ALA 115 3HB ALA 115 -13.534 -28.993 0.772 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 8.134 40.671 0.512 2 H2 GLY 1 2H GLY 1 6.508 40.595 0.244 3 H3 GLY 1 3H GLY 1 7.561 40.224 -0.969 4 HA2 GLY 1 1HA GLY 1 8.359 38.314 0.220 5 HA3 GLY 1 2HA GLY 1 7.231 38.714 1.529 6 H SER 2 H SER 2 7.003 36.254 0.575 7 HA SER 2 HA SER 2 4.408 36.281 -0.899 8 HB2 SER 2 1HB SER 2 6.153 36.036 -2.645 9 HB3 SER 2 2HB SER 2 6.966 34.794 -1.696 10 HG SER 2 HG SER 2 5.607 34.047 -3.456 11 HA PRO 3 HA PRO 3 3.799 33.320 2.363 12 HB2 PRO 3 1HB PRO 3 3.227 31.113 0.375 13 HB3 PRO 3 2HB PRO 3 2.293 31.599 1.824 14 HG2 PRO 3 1HG PRO 3 1.407 32.267 -0.548 15 HG3 PRO 3 2HG PRO 3 1.417 33.485 0.770 16 HD2 PRO 3 1HD PRO 3 3.364 33.135 -1.507 17 HD3 PRO 3 2HD PRO 3 2.583 34.637 -0.897 18 H GLU 4 H GLU 4 5.596 32.064 -0.422 19 HA GLU 4 HA GLU 4 7.539 30.904 -0.623 20 HB2 GLU 4 1HB GLU 4 8.036 32.352 1.987 21 HB3 GLU 4 2HB GLU 4 9.295 31.447 1.143 22 HG2 GLU 4 1HG GLU 4 9.327 32.913 -0.678 23 HG3 GLU 4 2HG GLU 4 7.718 33.538 -0.327 24 H PHE 5 H PHE 5 9.271 29.539 0.789 25 HA PHE 5 HA PHE 5 7.941 27.065 1.129 26 HB2 PHE 5 1HB PHE 5 10.075 26.181 1.731 27 HB3 PHE 5 2HB PHE 5 10.358 27.418 0.502 28 HD1 PHE 5 HD1 PHE 5 11.334 29.646 1.166 29 HD2 PHE 5 HD2 PHE 5 10.938 26.397 3.967 30 HE1 PHE 5 HE1 PHE 5 12.902 30.798 2.715 31 HE2 PHE 5 HE2 PHE 5 12.525 27.534 5.514 32 HZ PHE 5 HZ PHE 5 13.504 29.743 4.893 33 H ASN 6 H ASN 6 8.661 29.630 3.463 34 HA ASN 6 HA ASN 6 8.350 27.827 5.707 35 HB2 ASN 6 1HB ASN 6 8.512 29.766 7.124 36 HB3 ASN 6 2HB ASN 6 9.748 29.854 5.862 37 HD21 ASN 6 1HD2 ASN 6 7.678 33.051 6.405 38 HD22 ASN 6 2HD2 ASN 6 8.171 31.856 7.583 39 H ARG 7 H ARG 7 6.066 30.156 4.023 40 HA ARG 7 HA ARG 7 4.030 29.269 5.986 41 HB2 ARG 7 1HB ARG 7 3.578 30.833 3.456 42 HB3 ARG 7 2HB ARG 7 2.393 30.523 4.709 43 HG2 ARG 7 1HG ARG 7 4.944 32.143 5.096 44 HG3 ARG 7 2HG ARG 7 3.327 32.815 4.837 45 HD2 ARG 7 1HD ARG 7 2.551 31.655 6.907 46 HD3 ARG 7 2HD ARG 7 4.218 31.103 7.187 47 HE ARG 7 HE ARG 7 4.204 33.932 6.824 48 HH11 ARG 7 1HH1 ARG 7 3.252 31.536 9.237 49 HH12 ARG 7 2HH1 ARG 7 3.419 32.662 10.557 50 HH21 ARG 7 1HH2 ARG 7 4.409 35.308 8.562 51 HH22 ARG 7 2HH2 ARG 7 4.078 34.753 10.180 52 H TYR 8 H TYR 8 5.473 27.951 3.208 53 HA TYR 8 HA TYR 8 3.107 26.362 2.448 54 HB2 TYR 8 1HB TYR 8 5.442 27.004 1.197 55 HB3 TYR 8 2HB TYR 8 5.876 25.429 1.839 56 HD1 TYR 8 HD1 TYR 8 4.850 23.393 0.917 57 HD2 TYR 8 HD2 TYR 8 3.657 27.284 -0.474 58 HE1 TYR 8 HE1 TYR 8 3.729 22.349 -1.046 59 HE2 TYR 8 HE2 TYR 8 2.533 26.234 -2.432 60 HH TYR 8 HH TYR 8 2.005 24.315 -3.497 61 H SER 9 H SER 9 5.657 26.296 4.867 62 HA SER 9 HA SER 9 6.007 23.533 5.212 63 HB2 SER 9 1HB SER 9 6.031 25.691 7.346 64 HB3 SER 9 2HB SER 9 6.715 24.061 7.506 65 HG SER 9 HG SER 9 8.353 25.432 6.908 66 H LYS 10 H LYS 10 3.329 25.544 6.426 67 HA LYS 10 HA LYS 10 2.439 23.794 8.464 68 HB2 LYS 10 1HB LYS 10 0.083 24.723 7.773 69 HB3 LYS 10 2HB LYS 10 1.277 25.796 8.504 70 HG2 LYS 10 1HG LYS 10 1.659 26.962 6.539 71 HG3 LYS 10 2HG LYS 10 1.157 25.619 5.504 72 HD2 LYS 10 1HD LYS 10 -1.199 25.964 6.223 73 HD3 LYS 10 2HD LYS 10 -0.681 27.355 7.188 74 HE2 LYS 10 1HE LYS 10 -1.593 28.121 5.045 75 HE3 LYS 10 2HE LYS 10 0.141 28.478 5.122 76 HZ1 LYS 10 1HZ LYS 10 0.578 26.631 3.671 77 HZ2 LYS 10 2HZ LYS 10 -0.589 27.543 2.960 78 HZ3 LYS 10 3HZ LYS 10 -0.990 26.131 3.704 79 H GLU 11 H GLU 11 1.315 23.897 5.052 80 HA GLU 11 HA GLU 11 -0.260 21.501 5.502 81 HB2 GLU 11 1HB GLU 11 0.403 22.994 2.960 82 HB3 GLU 11 2HB GLU 11 -0.807 21.713 3.122 83 HG2 GLU 11 1HG GLU 11 -0.835 24.446 4.422 84 HG3 GLU 11 2HG GLU 11 -1.915 23.871 3.148 85 H HIS 12 H HIS 12 2.844 22.331 3.908 86 HA HIS 12 HA HIS 12 3.295 19.839 2.657 87 HB2 HIS 12 1HB HIS 12 4.794 21.696 2.284 88 HB3 HIS 12 2HB HIS 12 5.190 21.791 4.001 89 HD1 HIS 12 HD1 HIS 12 7.686 21.316 3.892 90 HD2 HIS 12 HD2 HIS 12 5.392 18.440 1.933 91 HE1 HIS 12 HE1 HIS 12 9.240 19.414 3.300 92 H MET 13 H MET 13 4.242 20.854 6.015 93 HA MET 13 HA MET 13 5.226 18.221 6.626 94 HB2 MET 13 1HB MET 13 4.328 20.477 8.450 95 HB3 MET 13 2HB MET 13 5.113 18.998 9.002 96 HG2 MET 13 1HG MET 13 6.321 21.056 7.123 97 HG3 MET 13 2HG MET 13 6.708 20.858 8.837 98 HE1 MET 13 1HE MET 13 6.980 17.674 9.284 99 HE2 MET 13 2HE MET 13 8.715 17.492 8.933 100 HE3 MET 13 3HE MET 13 8.138 18.901 9.854 101 H LYS 14 H LYS 14 2.039 19.808 7.210 102 HA LYS 14 HA LYS 14 1.033 17.672 8.840 103 HB2 LYS 14 1HB LYS 14 -0.028 19.873 8.723 104 HB3 LYS 14 2HB LYS 14 -0.413 19.624 7.017 105 HG2 LYS 14 1HG LYS 14 -1.998 17.885 7.543 106 HG3 LYS 14 2HG LYS 14 -1.481 17.849 9.236 107 HD2 LYS 14 1HD LYS 14 -3.612 19.036 9.024 108 HD3 LYS 14 2HD LYS 14 -2.337 20.134 9.573 109 HE2 LYS 14 1HE LYS 14 -3.732 21.252 7.917 110 HE3 LYS 14 2HE LYS 14 -2.101 21.035 7.284 111 HZ1 LYS 14 1HZ LYS 14 -4.489 19.452 6.551 112 HZ2 LYS 14 2HZ LYS 14 -2.959 19.090 6.048 113 HZ3 LYS 14 3HZ LYS 14 -3.655 20.519 5.597 114 H LYS 15 H LYS 15 0.772 18.252 5.297 115 HA LYS 15 HA LYS 15 -0.841 15.902 4.894 116 HB2 LYS 15 1HB LYS 15 -0.339 18.013 3.321 117 HB3 LYS 15 2HB LYS 15 0.913 16.930 2.693 118 HG2 LYS 15 1HG LYS 15 -1.094 15.209 2.656 119 HG3 LYS 15 2HG LYS 15 -2.074 16.679 2.614 120 HD2 LYS 15 1HD LYS 15 -0.802 17.444 0.610 121 HD3 LYS 15 2HD LYS 15 0.139 15.939 0.660 122 HE2 LYS 15 1HE LYS 15 -2.864 16.190 0.228 123 HE3 LYS 15 2HE LYS 15 -1.655 15.732 -0.983 124 HZ1 LYS 15 1HZ LYS 15 -1.192 13.741 0.325 125 HZ2 LYS 15 2HZ LYS 15 -2.806 13.812 -0.077 126 HZ3 LYS 15 3HZ LYS 15 -2.300 14.171 1.452 127 H MET 16 H MET 16 2.687 16.570 4.425 128 HA MET 16 HA MET 16 3.336 13.956 3.570 129 HB2 MET 16 1HB MET 16 4.911 15.861 3.485 130 HB3 MET 16 2HB MET 16 5.013 15.851 5.251 131 HG2 MET 16 1HG MET 16 5.967 13.565 5.175 132 HG3 MET 16 2HG MET 16 5.864 13.587 3.414 133 HE1 MET 16 1HE MET 16 8.814 16.112 5.958 134 HE2 MET 16 2HE MET 16 7.077 16.486 5.949 135 HE3 MET 16 3HE MET 16 7.648 14.934 6.610 136 H MET 17 H MET 17 2.949 15.248 6.914 137 HA MET 17 HA MET 17 3.926 12.895 8.199 138 HB2 MET 17 1HB MET 17 3.493 15.083 9.329 139 HB3 MET 17 2HB MET 17 1.761 14.794 9.176 140 HG2 MET 17 1HG MET 17 2.473 14.231 11.416 141 HG3 MET 17 2HG MET 17 1.995 12.752 10.566 142 HE1 MET 17 1HE MET 17 6.333 13.944 11.729 143 HE2 MET 17 2HE MET 17 5.407 14.937 10.580 144 HE3 MET 17 3HE MET 17 4.856 14.777 12.267 145 H LYS 18 H LYS 18 0.547 13.800 7.225 146 HA LYS 18 HA LYS 18 -0.446 11.253 8.221 147 HB2 LYS 18 1HB LYS 18 -1.584 13.566 6.725 148 HB3 LYS 18 2HB LYS 18 -2.391 12.009 6.505 149 HG2 LYS 18 1HG LYS 18 -1.846 13.274 9.218 150 HG3 LYS 18 2HG LYS 18 -3.380 13.398 8.336 151 HD2 LYS 18 1HD LYS 18 -3.576 10.900 8.362 152 HD3 LYS 18 2HD LYS 18 -2.083 10.810 9.312 153 HE2 LYS 18 1HE LYS 18 -3.149 12.177 11.090 154 HE3 LYS 18 2HE LYS 18 -4.670 12.146 10.165 155 HZ1 LYS 18 1HZ LYS 18 -3.212 9.766 11.195 156 HZ2 LYS 18 2HZ LYS 18 -4.608 9.710 10.329 157 HZ3 LYS 18 3HZ LYS 18 -4.605 10.386 11.835 158 H ASP 19 H ASP 19 0.707 12.385 5.076 159 HA ASP 19 HA ASP 19 -0.213 10.068 3.631 160 HB2 ASP 19 1HB ASP 19 2.025 12.050 3.092 161 HB3 ASP 19 2HB ASP 19 1.535 10.777 1.964 162 H LEU 20 H LEU 20 2.598 10.734 5.699 163 HA LEU 20 HA LEU 20 3.891 8.236 4.856 164 HB2 LEU 20 1HB LEU 20 4.612 10.528 6.528 165 HB3 LEU 20 2HB LEU 20 5.161 8.979 7.162 166 HG LEU 20 HG LEU 20 6.407 8.477 5.200 167 HD11 LEU 20 1HD1 LEU 20 4.953 9.184 3.376 168 HD12 LEU 20 2HD1 LEU 20 6.481 10.054 3.232 169 HD13 LEU 20 3HD1 LEU 20 5.062 10.882 3.899 170 HD21 LEU 20 1HD2 LEU 20 7.978 10.347 5.143 171 HD22 LEU 20 2HD2 LEU 20 7.399 10.085 6.797 172 HD23 LEU 20 3HD2 LEU 20 6.751 11.433 5.830 173 H GLU 21 H GLU 21 1.661 9.234 7.346 174 HA GLU 21 HA GLU 21 1.948 6.871 8.987 175 HB2 GLU 21 1HB GLU 21 0.621 8.925 9.593 176 HB3 GLU 21 2HB GLU 21 -0.531 8.524 8.324 177 HG2 GLU 21 1HG GLU 21 -1.060 6.408 9.503 178 HG3 GLU 21 2HG GLU 21 0.018 6.914 10.821 179 H GLY 22 H GLY 22 0.181 7.818 6.040 180 HA2 GLY 22 1HA GLY 22 -1.005 5.243 5.562 181 HA3 GLY 22 2HA GLY 22 -0.801 6.551 4.385 182 H LEU 23 H LEU 23 2.117 6.716 4.523 183 HA LEU 23 HA LEU 23 2.738 4.619 2.668 184 HB2 LEU 23 1HB LEU 23 3.810 6.990 3.153 185 HB3 LEU 23 2HB LEU 23 4.926 6.050 4.138 186 HG LEU 23 HG LEU 23 4.358 5.451 1.210 187 HD11 LEU 23 1HD1 LEU 23 6.548 7.205 2.382 188 HD12 LEU 23 2HD1 LEU 23 5.157 7.758 1.413 189 HD13 LEU 23 3HD1 LEU 23 6.392 6.720 0.673 190 HD21 LEU 23 1HD2 LEU 23 5.445 3.597 2.323 191 HD22 LEU 23 2HD2 LEU 23 6.645 4.677 3.065 192 HD23 LEU 23 3HD2 LEU 23 6.640 4.412 1.304 193 H HIS 24 H HIS 24 3.326 5.052 6.192 194 HA HIS 24 HA HIS 24 4.792 2.568 6.468 195 HB2 HIS 24 1HB HIS 24 4.862 4.296 8.213 196 HB3 HIS 24 2HB HIS 24 3.128 4.094 8.501 197 HD1 HIS 24 HD1 HIS 24 6.041 1.516 8.323 198 HD2 HIS 24 HD2 HIS 24 2.812 2.665 10.736 199 HE1 HIS 24 HE1 HIS 24 5.982 -0.054 10.293 200 H ARG 25 H ARG 25 1.297 3.491 6.579 201 HA ARG 25 HA ARG 25 0.394 0.853 7.217 202 HB2 ARG 25 1HB ARG 25 -1.033 2.954 7.136 203 HB3 ARG 25 2HB ARG 25 -1.046 2.771 5.375 204 HG2 ARG 25 1HG ARG 25 -1.908 0.388 5.805 205 HG3 ARG 25 2HG ARG 25 -2.233 0.932 7.455 206 HD2 ARG 25 1HD ARG 25 -3.761 2.600 6.656 207 HD3 ARG 25 2HD ARG 25 -3.242 2.337 4.971 208 HE ARG 25 HE ARG 25 -4.149 -0.130 6.059 209 HH11 ARG 25 1HH1 ARG 25 -5.473 2.943 4.959 210 HH12 ARG 25 2HH1 ARG 25 -7.007 2.238 4.523 211 HH21 ARG 25 1HH2 ARG 25 -6.111 -0.971 5.468 212 HH22 ARG 25 2HH2 ARG 25 -7.360 0.049 4.810 213 H ALA 26 H ALA 26 1.558 2.255 4.145 214 HA ALA 26 HA ALA 26 0.685 0.010 2.546 215 HB1 ALA 26 1HB ALA 26 2.062 0.943 0.791 216 HB2 ALA 26 2HB ALA 26 1.202 2.265 1.608 217 HB3 ALA 26 3HB ALA 26 2.926 1.979 1.948 218 H GLU 27 H GLU 27 3.555 0.701 4.511 219 HA GLU 27 HA GLU 27 5.139 -1.549 3.593 220 HB2 GLU 27 1HB GLU 27 5.887 0.491 4.895 221 HB3 GLU 27 2HB GLU 27 5.093 -0.187 6.309 222 HG2 GLU 27 1HG GLU 27 6.626 -2.039 6.357 223 HG3 GLU 27 2HG GLU 27 7.359 -1.506 4.828 224 H GLN 28 H GLN 28 2.845 -0.899 6.205 225 HA GLN 28 HA GLN 28 2.735 -3.566 7.255 226 HB2 GLN 28 1HB GLN 28 0.729 -1.290 7.347 227 HB3 GLN 28 2HB GLN 28 0.565 -2.796 8.246 228 HG2 GLN 28 1HG GLN 28 2.629 -2.319 9.475 229 HG3 GLN 28 2HG GLN 28 2.854 -0.826 8.562 230 HE21 GLN 28 1HE2 GLN 28 0.740 -0.740 11.897 231 HE22 GLN 28 2HE2 GLN 28 1.859 -1.996 11.433 232 H SER 29 H SER 29 1.404 -2.110 4.326 233 HA SER 29 HA SER 29 -0.581 -4.245 4.112 234 HB2 SER 29 1HB SER 29 -1.276 -3.325 2.053 235 HB3 SER 29 2HB SER 29 -1.010 -1.966 3.159 236 HG SER 29 HG SER 29 -0.119 -1.473 1.183 237 H LEU 30 H LEU 30 2.762 -3.642 3.080 238 HA LEU 30 HA LEU 30 3.039 -5.893 1.235 239 HB2 LEU 30 1HB LEU 30 5.069 -5.260 3.402 240 HB3 LEU 30 2HB LEU 30 5.353 -5.969 1.846 241 HG LEU 30 HG LEU 30 4.650 -3.061 2.218 242 HD11 LEU 30 1HD1 LEU 30 7.080 -2.625 2.217 243 HD12 LEU 30 2HD1 LEU 30 7.394 -4.377 2.200 244 HD13 LEU 30 3HD1 LEU 30 6.604 -3.625 3.604 245 HD21 LEU 30 1HD2 LEU 30 6.373 -4.202 0.051 246 HD22 LEU 30 2HD2 LEU 30 5.468 -2.672 0.098 247 HD23 LEU 30 3HD2 LEU 30 4.608 -4.209 -0.090 248 H HIS 31 H HIS 31 3.453 -5.405 4.797 249 HA HIS 31 HA HIS 31 3.783 -8.202 5.251 250 HB2 HIS 31 1HB HIS 31 3.213 -5.986 7.187 251 HB3 HIS 31 2HB HIS 31 3.706 -7.631 7.623 252 HD1 HIS 31 HD1 HIS 31 5.820 -7.809 5.097 253 HD2 HIS 31 HD2 HIS 31 5.618 -4.883 8.081 254 HE1 HIS 31 HE1 HIS 31 8.105 -6.744 5.254 255 H ASP 32 H ASP 32 0.841 -6.216 5.694 256 HA ASP 32 HA ASP 32 -0.751 -8.280 6.863 257 HB2 ASP 32 1HB ASP 32 -1.380 -5.841 5.171 258 HB3 ASP 32 2HB ASP 32 -2.636 -7.041 5.475 259 H LEU 33 H LEU 33 0.114 -7.470 3.472 260 HA LEU 33 HA LEU 33 -1.716 -9.432 2.420 261 HB2 LEU 33 1HB LEU 33 0.564 -7.876 1.237 262 HB3 LEU 33 2HB LEU 33 -0.179 -9.195 0.348 263 HG LEU 33 HG LEU 33 -1.866 -6.966 1.484 264 HD11 LEU 33 1HD1 LEU 33 -0.121 -5.981 -0.035 265 HD12 LEU 33 2HD1 LEU 33 -1.784 -5.783 -0.612 266 HD13 LEU 33 3HD1 LEU 33 -0.735 -7.013 -1.340 267 HD21 LEU 33 1HD2 LEU 33 -3.049 -9.011 0.791 268 HD22 LEU 33 2HD2 LEU 33 -2.255 -8.959 -0.798 269 HD23 LEU 33 3HD2 LEU 33 -3.412 -7.695 -0.336 270 H GLN 34 H GLN 34 1.859 -9.634 3.207 271 HA GLN 34 HA GLN 34 1.856 -12.358 2.197 272 HB2 GLN 34 1HB GLN 34 3.789 -12.678 3.954 273 HB3 GLN 34 2HB GLN 34 4.034 -11.933 2.403 274 HG2 GLN 34 1HG GLN 34 3.345 -10.051 4.542 275 HG3 GLN 34 2HG GLN 34 4.811 -10.955 4.844 276 HE21 GLN 34 1HE2 GLN 34 5.195 -9.085 1.256 277 HE22 GLN 34 2HE2 GLN 34 4.012 -10.351 1.495 278 H GLU 35 H GLU 35 1.142 -11.005 5.483 279 HA GLU 35 HA GLU 35 0.882 -13.654 6.615 280 HB2 GLU 35 1HB GLU 35 -0.315 -10.994 7.437 281 HB3 GLU 35 2HB GLU 35 -0.624 -12.517 8.291 282 HG2 GLU 35 1HG GLU 35 1.949 -12.761 8.402 283 HG3 GLU 35 2HG GLU 35 2.001 -11.038 7.999 284 H ARG 36 H ARG 36 -1.330 -11.535 4.803 285 HA ARG 36 HA ARG 36 -3.654 -13.173 5.182 286 HB2 ARG 36 1HB ARG 36 -3.347 -10.790 4.022 287 HB3 ARG 36 2HB ARG 36 -3.178 -11.746 2.570 288 HG2 ARG 36 1HG ARG 36 -5.465 -11.014 2.797 289 HG3 ARG 36 2HG ARG 36 -5.411 -12.770 3.038 290 HD2 ARG 36 1HD ARG 36 -6.878 -11.508 4.680 291 HD3 ARG 36 2HD ARG 36 -5.647 -12.541 5.421 292 HE ARG 36 HE ARG 36 -4.507 -9.979 5.152 293 HH11 ARG 36 1HH1 ARG 36 -7.153 -11.438 6.976 294 HH12 ARG 36 2HH1 ARG 36 -6.989 -10.307 8.292 295 HH21 ARG 36 1HH2 ARG 36 -4.342 -8.587 6.866 296 HH22 ARG 36 2HH2 ARG 36 -5.427 -8.710 8.221 297 H LEU 37 H LEU 37 -1.060 -13.175 2.716 298 HA LEU 37 HA LEU 37 -2.082 -15.303 1.122 299 HB2 LEU 37 1HB LEU 37 -0.284 -14.171 0.193 300 HB3 LEU 37 2HB LEU 37 0.565 -14.064 1.707 301 HG LEU 37 HG LEU 37 1.265 -16.440 1.497 302 HD11 LEU 37 1HD1 LEU 37 -0.453 -17.323 0.019 303 HD12 LEU 37 2HD1 LEU 37 1.135 -17.488 -0.754 304 HD13 LEU 37 3HD1 LEU 37 0.029 -16.200 -1.264 305 HD21 LEU 37 1HD2 LEU 37 1.995 -14.455 -0.680 306 HD22 LEU 37 2HD2 LEU 37 2.920 -15.934 -0.327 307 HD23 LEU 37 3HD2 LEU 37 2.765 -14.664 0.903 308 H HIS 38 H HIS 38 0.120 -15.316 3.966 309 HA HIS 38 HA HIS 38 0.541 -18.115 3.992 310 HB2 HIS 38 1HB HIS 38 0.456 -16.158 6.316 311 HB3 HIS 38 2HB HIS 38 1.089 -17.806 6.406 312 HD1 HIS 38 HD1 HIS 38 2.858 -15.214 6.931 313 HD2 HIS 38 HD2 HIS 38 2.653 -17.329 3.346 314 HE1 HIS 38 HE1 HIS 38 4.985 -14.716 5.659 315 H LYS 39 H LYS 39 -1.956 -16.208 5.831 316 HA LYS 39 HA LYS 39 -3.114 -18.694 6.778 317 HB2 LYS 39 1HB LYS 39 -3.801 -15.804 6.994 318 HB3 LYS 39 2HB LYS 39 -5.124 -16.959 7.205 319 HG2 LYS 39 1HG LYS 39 -2.514 -17.083 8.760 320 HG3 LYS 39 2HG LYS 39 -3.993 -16.301 9.354 321 HD2 LYS 39 1HD LYS 39 -5.213 -18.448 9.209 322 HD3 LYS 39 2HD LYS 39 -3.775 -19.236 8.549 323 HE2 LYS 39 1HE LYS 39 -2.624 -18.374 10.739 324 HE3 LYS 39 2HE LYS 39 -4.303 -18.339 11.347 325 HZ1 LYS 39 1HZ LYS 39 -2.876 -20.645 10.136 326 HZ2 LYS 39 2HZ LYS 39 -4.494 -20.668 10.502 327 HZ3 LYS 39 3HZ LYS 39 -3.370 -20.517 11.708 328 H ALA 40 H ALA 40 -3.711 -16.697 3.939 329 HA ALA 40 HA ALA 40 -6.241 -17.877 3.267 330 HB1 ALA 40 1HB ALA 40 -5.651 -17.211 0.939 331 HB2 ALA 40 2HB ALA 40 -5.490 -15.881 2.111 332 HB3 ALA 40 3HB ALA 40 -4.040 -16.727 1.515 333 H GLN 41 H GLN 41 -2.798 -18.797 2.688 334 HA GLN 41 HA GLN 41 -3.627 -21.094 1.127 335 HB2 GLN 41 1HB GLN 41 -1.309 -20.053 1.194 336 HB3 GLN 41 2HB GLN 41 -1.087 -20.809 2.775 337 HG2 GLN 41 1HG GLN 41 -1.516 -23.034 1.707 338 HG3 GLN 41 2HG GLN 41 -1.589 -22.218 0.136 339 HE21 GLN 41 1HE2 GLN 41 1.966 -21.356 0.278 340 HE22 GLN 41 2HE2 GLN 41 0.441 -20.555 -0.011 341 H GLU 42 H GLU 42 -2.439 -20.750 4.524 342 HA GLU 42 HA GLU 42 -2.666 -23.388 5.313 343 HB2 GLU 42 1HB GLU 42 -3.030 -20.826 6.854 344 HB3 GLU 42 2HB GLU 42 -3.166 -22.400 7.641 345 HG2 GLU 42 1HG GLU 42 -0.880 -22.967 6.801 346 HG3 GLU 42 2HG GLU 42 -0.725 -21.301 6.224 347 H GLU 43 H GLU 43 -5.337 -21.002 5.427 348 HA GLU 43 HA GLU 43 -7.067 -23.178 6.455 349 HB2 GLU 43 1HB GLU 43 -7.797 -20.303 5.858 350 HB3 GLU 43 2HB GLU 43 -8.714 -21.453 6.824 351 HG2 GLU 43 1HG GLU 43 -6.001 -20.254 7.549 352 HG3 GLU 43 2HG GLU 43 -7.559 -19.731 8.184 353 H HIS 44 H HIS 44 -6.834 -20.986 3.576 354 HA HIS 44 HA HIS 44 -9.351 -22.232 2.632 355 HB2 HIS 44 1HB HIS 44 -7.955 -19.742 1.643 356 HB3 HIS 44 2HB HIS 44 -9.496 -20.357 1.071 357 HD1 HIS 44 HD1 HIS 44 -7.932 -18.604 4.023 358 HD2 HIS 44 HD2 HIS 44 -11.666 -19.933 2.747 359 HE1 HIS 44 HE1 HIS 44 -9.644 -17.575 5.573 360 H ARG 45 H ARG 45 -6.064 -21.739 1.438 361 HA ARG 45 HA ARG 45 -5.139 -22.241 -0.645 362 HB2 ARG 45 1HB ARG 45 -4.966 -24.708 -0.946 363 HB3 ARG 45 2HB ARG 45 -4.575 -24.104 0.660 364 HG2 ARG 45 1HG ARG 45 -6.846 -24.803 1.453 365 HG3 ARG 45 2HG ARG 45 -7.155 -25.515 -0.135 366 HD2 ARG 45 1HD ARG 45 -6.429 -27.189 1.536 367 HD3 ARG 45 2HD ARG 45 -5.304 -27.076 0.173 368 HE ARG 45 HE ARG 45 -3.648 -26.425 1.618 369 HH11 ARG 45 1HH1 ARG 45 -6.699 -25.791 3.291 370 HH12 ARG 45 2HH1 ARG 45 -5.878 -25.323 4.764 371 HH21 ARG 45 1HH2 ARG 45 -2.715 -25.867 3.559 372 HH22 ARG 45 2HH2 ARG 45 -3.718 -25.373 4.905 373 H THR 46 H THR 46 -7.374 -20.991 -1.432 374 HA THR 46 HA THR 46 -9.206 -22.484 -2.970 375 HB THR 46 HB THR 46 -9.799 -20.357 -4.025 376 HG1 THR 46 HG1 THR 46 -8.446 -18.517 -3.603 377 HG21 THR 46 1HG2 THR 46 -10.319 -20.753 -1.583 378 HG22 THR 46 2HG2 THR 46 -10.262 -19.054 -2.098 379 HG23 THR 46 3HG2 THR 46 -8.905 -19.749 -1.202 380 H VAL 47 H VAL 47 -9.574 -21.889 -5.361 381 HA VAL 47 HA VAL 47 -7.816 -23.411 -6.925 382 HB VAL 47 HB VAL 47 -10.277 -22.830 -7.319 383 HG11 VAL 47 1HG1 VAL 47 -10.033 -20.349 -7.162 384 HG12 VAL 47 2HG1 VAL 47 -9.130 -20.361 -8.695 385 HG13 VAL 47 3HG1 VAL 47 -10.831 -20.872 -8.658 386 HG21 VAL 47 1HG2 VAL 47 -10.150 -23.108 -9.732 387 HG22 VAL 47 2HG2 VAL 47 -8.455 -22.572 -9.744 388 HG23 VAL 47 3HG2 VAL 47 -8.901 -24.099 -8.948 389 H GLU 48 H GLU 48 -7.342 -20.183 -5.880 390 HA GLU 48 HA GLU 48 -5.745 -19.278 -8.125 391 HB2 GLU 48 1HB GLU 48 -5.858 -18.372 -5.222 392 HB3 GLU 48 2HB GLU 48 -4.963 -17.558 -6.509 393 HG2 GLU 48 1HG GLU 48 -7.267 -17.509 -7.721 394 HG3 GLU 48 2HG GLU 48 -7.911 -17.712 -6.078 395 H VAL 49 H VAL 49 -5.138 -21.939 -6.449 396 HA VAL 49 HA VAL 49 -2.688 -21.746 -5.181 397 HB VAL 49 HB VAL 49 -2.280 -24.109 -6.365 398 HG11 VAL 49 1HG1 VAL 49 -4.421 -23.566 -4.263 399 HG12 VAL 49 2HG1 VAL 49 -3.622 -25.127 -4.554 400 HG13 VAL 49 3HG1 VAL 49 -2.676 -23.744 -3.968 401 HG21 VAL 49 1HG2 VAL 49 -4.313 -25.213 -7.041 402 HG22 VAL 49 2HG2 VAL 49 -5.312 -23.817 -6.595 403 HG23 VAL 49 3HG2 VAL 49 -4.206 -23.719 -7.990 404 H GLU 50 H GLU 50 -3.218 -21.640 -8.692 405 HA GLU 50 HA GLU 50 -0.471 -22.056 -9.394 406 HB2 GLU 50 1HB GLU 50 -1.066 -21.399 -11.585 407 HB3 GLU 50 2HB GLU 50 -2.440 -22.274 -10.919 408 HG2 GLU 50 1HG GLU 50 -3.554 -20.547 -11.923 409 HG3 GLU 50 2HG GLU 50 -3.307 -19.824 -10.325 410 H LYS 51 H LYS 51 -2.146 -19.325 -8.092 411 HA LYS 51 HA LYS 51 0.137 -17.521 -8.723 412 HB2 LYS 51 1HB LYS 51 -1.416 -16.020 -9.197 413 HB3 LYS 51 2HB LYS 51 -2.671 -17.196 -8.827 414 HG2 LYS 51 1HG LYS 51 -2.671 -16.440 -6.461 415 HG3 LYS 51 2HG LYS 51 -1.447 -15.215 -6.878 416 HD2 LYS 51 1HD LYS 51 -3.010 -14.273 -8.573 417 HD3 LYS 51 2HD LYS 51 -4.233 -15.462 -8.076 418 HE2 LYS 51 1HE LYS 51 -4.140 -14.542 -5.771 419 HE3 LYS 51 2HE LYS 51 -3.004 -13.295 -6.332 420 HZ1 LYS 51 1HZ LYS 51 -5.214 -12.424 -6.317 421 HZ2 LYS 51 2HZ LYS 51 -5.809 -13.685 -7.210 422 HZ3 LYS 51 3HZ LYS 51 -4.767 -12.591 -7.892 423 H VAL 52 H VAL 52 -1.544 -19.176 -6.167 424 HA VAL 52 HA VAL 52 -0.561 -17.647 -3.956 425 HB VAL 52 HB VAL 52 -1.649 -20.466 -4.207 426 HG11 VAL 52 1HG1 VAL 52 -1.929 -20.481 -1.724 427 HG12 VAL 52 2HG1 VAL 52 -0.239 -20.588 -2.250 428 HG13 VAL 52 3HG1 VAL 52 -0.883 -19.045 -1.641 429 HG21 VAL 52 1HG2 VAL 52 -3.173 -18.437 -4.526 430 HG22 VAL 52 2HG2 VAL 52 -3.664 -19.535 -3.226 431 HG23 VAL 52 3HG2 VAL 52 -2.835 -18.009 -2.841 432 H HIS 53 H HIS 53 1.133 -19.735 -6.105 433 HA HIS 53 HA HIS 53 3.195 -20.800 -4.521 434 HB2 HIS 53 1HB HIS 53 3.350 -19.439 -7.243 435 HB3 HIS 53 2HB HIS 53 4.701 -20.302 -6.497 436 HD1 HIS 53 HD1 HIS 53 1.771 -20.867 -8.652 437 HD2 HIS 53 HD2 HIS 53 4.138 -23.123 -6.056 438 HE1 HIS 53 HE1 HIS 53 1.340 -23.305 -9.178 439 H LEU 54 H LEU 54 4.684 -19.922 -3.208 440 HA LEU 54 HA LEU 54 4.184 -17.432 -2.172 441 HB2 LEU 54 1HB LEU 54 6.779 -18.990 -2.062 442 HB3 LEU 54 2HB LEU 54 6.376 -17.632 -1.015 443 HG LEU 54 HG LEU 54 4.855 -20.262 -1.113 444 HD11 LEU 54 1HD1 LEU 54 6.843 -19.191 0.927 445 HD12 LEU 54 2HD1 LEU 54 7.153 -20.497 -0.242 446 HD13 LEU 54 3HD1 LEU 54 5.942 -20.722 1.040 447 HD21 LEU 54 1HD2 LEU 54 3.388 -18.460 -0.369 448 HD22 LEU 54 2HD2 LEU 54 4.629 -17.862 0.760 449 HD23 LEU 54 3HD2 LEU 54 3.855 -19.441 1.033 450 H GLU 55 H GLU 55 6.980 -18.087 -4.379 451 HA GLU 55 HA GLU 55 8.018 -15.449 -4.080 452 HB2 GLU 55 1HB GLU 55 8.203 -17.325 -6.473 453 HB3 GLU 55 2HB GLU 55 9.223 -15.915 -6.195 454 HG2 GLU 55 1HG GLU 55 10.529 -17.781 -5.544 455 HG3 GLU 55 2HG GLU 55 10.002 -17.020 -4.036 456 H LYS 56 H LYS 56 5.736 -16.817 -6.432 457 HA LYS 56 HA LYS 56 5.491 -14.458 -8.058 458 HB2 LYS 56 1HB LYS 56 4.867 -16.727 -8.798 459 HB3 LYS 56 2HB LYS 56 3.598 -16.794 -7.575 460 HG2 LYS 56 1HG LYS 56 2.361 -15.011 -8.701 461 HG3 LYS 56 2HG LYS 56 3.646 -14.865 -9.925 462 HD2 LYS 56 1HD LYS 56 3.259 -17.155 -10.669 463 HD3 LYS 56 2HD LYS 56 2.122 -17.431 -9.343 464 HE2 LYS 56 1HE LYS 56 0.619 -15.677 -10.291 465 HE3 LYS 56 2HE LYS 56 1.720 -15.513 -11.676 466 HZ1 LYS 56 1HZ LYS 56 0.573 -18.143 -10.932 467 HZ2 LYS 56 2HZ LYS 56 1.188 -17.680 -12.389 468 HZ3 LYS 56 3HZ LYS 56 -0.278 -17.110 -11.888 469 H LYS 57 H LYS 57 3.489 -15.777 -5.378 470 HA LYS 57 HA LYS 57 1.592 -13.648 -5.498 471 HB2 LYS 57 1HB LYS 57 1.772 -16.037 -4.203 472 HB3 LYS 57 2HB LYS 57 2.050 -14.932 -2.864 473 HG2 LYS 57 1HG LYS 57 -0.250 -14.466 -4.760 474 HG3 LYS 57 2HG LYS 57 -0.381 -15.697 -3.502 475 HD2 LYS 57 1HD LYS 57 -0.850 -14.184 -1.988 476 HD3 LYS 57 2HD LYS 57 0.671 -13.337 -2.302 477 HE2 LYS 57 1HE LYS 57 -0.327 -11.943 -3.937 478 HE3 LYS 57 2HE LYS 57 -1.778 -12.972 -4.033 479 HZ1 LYS 57 1HZ LYS 57 -2.093 -10.967 -2.660 480 HZ2 LYS 57 2HZ LYS 57 -0.944 -11.515 -1.594 481 HZ3 LYS 57 3HZ LYS 57 -2.349 -12.363 -1.808 482 H LEU 58 H LEU 58 4.518 -14.099 -3.467 483 HA LEU 58 HA LEU 58 4.207 -11.720 -1.922 484 HB2 LEU 58 1HB LEU 58 6.662 -13.223 -2.890 485 HB3 LEU 58 2HB LEU 58 6.775 -11.820 -1.841 486 HG LEU 58 HG LEU 58 5.247 -14.305 -1.031 487 HD11 LEU 58 1HD1 LEU 58 7.277 -14.989 0.195 488 HD12 LEU 58 2HD1 LEU 58 8.175 -13.629 -0.522 489 HD13 LEU 58 3HD1 LEU 58 7.565 -14.944 -1.556 490 HD21 LEU 58 1HD2 LEU 58 5.663 -13.459 1.229 491 HD22 LEU 58 2HD2 LEU 58 4.774 -12.282 0.249 492 HD23 LEU 58 3HD2 LEU 58 6.509 -12.046 0.552 493 H ARG 59 H ARG 59 5.902 -12.357 -5.028 494 HA ARG 59 HA ARG 59 6.914 -9.739 -5.397 495 HB2 ARG 59 1HB ARG 59 7.599 -11.636 -6.777 496 HB3 ARG 59 2HB ARG 59 5.962 -11.810 -7.404 497 HG2 ARG 59 1HG ARG 59 6.144 -9.628 -8.529 498 HG3 ARG 59 2HG ARG 59 7.819 -9.480 -7.945 499 HD2 ARG 59 1HD ARG 59 8.432 -11.522 -9.136 500 HD3 ARG 59 2HD ARG 59 6.742 -11.772 -9.624 501 HE ARG 59 HE ARG 59 7.506 -9.220 -10.532 502 HH11 ARG 59 1HH1 ARG 59 8.343 -12.577 -11.208 503 HH12 ARG 59 2HH1 ARG 59 8.781 -12.238 -12.860 504 HH21 ARG 59 1HH2 ARG 59 8.063 -8.860 -12.658 505 HH22 ARG 59 2HH2 ARG 59 8.625 -10.166 -13.664 506 H ASP 60 H ASP 60 3.785 -11.114 -6.524 507 HA ASP 60 HA ASP 60 3.065 -8.658 -7.837 508 HB2 ASP 60 1HB ASP 60 1.456 -11.083 -6.988 509 HB3 ASP 60 2HB ASP 60 0.780 -9.731 -7.914 510 H GLU 61 H GLU 61 2.283 -9.967 -4.579 511 HA GLU 61 HA GLU 61 0.313 -7.914 -4.097 512 HB2 GLU 61 1HB GLU 61 0.081 -8.825 -1.962 513 HB3 GLU 61 2HB GLU 61 0.501 -10.179 -2.993 514 HG2 GLU 61 1HG GLU 61 2.890 -9.875 -2.189 515 HG3 GLU 61 2HG GLU 61 2.254 -8.759 -0.982 516 H ILE 62 H ILE 62 3.812 -8.210 -3.142 517 HA ILE 62 HA ILE 62 3.602 -5.638 -1.842 518 HB ILE 62 HB ILE 62 5.872 -5.712 -1.365 519 HG12 ILE 62 1HG1 ILE 62 6.257 -7.897 -3.402 520 HG13 ILE 62 2HG1 ILE 62 6.797 -6.227 -3.538 521 HG21 ILE 62 1HG2 ILE 62 5.021 -8.627 -1.228 522 HG22 ILE 62 2HG2 ILE 62 6.005 -7.708 -0.068 523 HG23 ILE 62 3HG2 ILE 62 4.275 -7.360 -0.228 524 HD11 ILE 62 1HD1 ILE 62 7.743 -8.332 -1.583 525 HD12 ILE 62 2HD1 ILE 62 8.690 -7.470 -2.819 526 HD13 ILE 62 3HD1 ILE 62 8.093 -6.602 -1.377 527 H ASN 63 H ASN 63 3.967 -6.642 -5.135 528 HA ASN 63 HA ASN 63 5.124 -4.092 -5.989 529 HB2 ASN 63 1HB ASN 63 5.278 -6.084 -7.441 530 HB3 ASN 63 2HB ASN 63 3.514 -6.131 -7.564 531 HD21 ASN 63 1HD2 ASN 63 3.569 -4.127 -10.367 532 HD22 ASN 63 2HD2 ASN 63 2.928 -5.509 -9.509 533 H LEU 64 H LEU 64 1.865 -5.437 -5.419 534 HA LEU 64 HA LEU 64 0.454 -3.116 -6.433 535 HB2 LEU 64 1HB LEU 64 -0.636 -5.271 -6.085 536 HB3 LEU 64 2HB LEU 64 -0.281 -5.225 -4.379 537 HG LEU 64 HG LEU 64 -2.650 -4.821 -5.091 538 HD11 LEU 64 1HD1 LEU 64 -1.649 -4.296 -2.821 539 HD12 LEU 64 2HD1 LEU 64 -3.135 -3.441 -3.257 540 HD13 LEU 64 3HD1 LEU 64 -1.581 -2.599 -3.349 541 HD21 LEU 64 1HD2 LEU 64 -2.180 -3.223 -6.940 542 HD22 LEU 64 2HD2 LEU 64 -1.677 -2.018 -5.729 543 HD23 LEU 64 3HD2 LEU 64 -3.348 -2.607 -5.754 544 H ALA 65 H ALA 65 1.590 -4.141 -3.164 545 HA ALA 65 HA ALA 65 0.734 -1.757 -1.831 546 HB1 ALA 65 1HB ALA 65 1.375 -3.737 -0.608 547 HB2 ALA 65 2HB ALA 65 3.024 -3.643 -1.260 548 HB3 ALA 65 3HB ALA 65 2.438 -2.391 -0.138 549 H LYS 66 H LYS 66 3.603 -2.475 -3.803 550 HA LYS 66 HA LYS 66 5.045 -0.074 -3.162 551 HB2 LYS 66 1HB LYS 66 5.949 -2.114 -4.322 552 HB3 LYS 66 2HB LYS 66 5.092 -1.610 -5.776 553 HG2 LYS 66 1HG LYS 66 6.418 0.443 -5.857 554 HG3 LYS 66 2HG LYS 66 7.251 -0.041 -4.360 555 HD2 LYS 66 1HD LYS 66 8.005 -2.118 -5.489 556 HD3 LYS 66 2HD LYS 66 7.239 -1.560 -6.992 557 HE2 LYS 66 1HE LYS 66 8.696 0.429 -6.998 558 HE3 LYS 66 2HE LYS 66 9.454 -0.119 -5.483 559 HZ1 LYS 66 1HZ LYS 66 9.484 -1.610 -8.045 560 HZ2 LYS 66 2HZ LYS 66 10.195 -2.105 -6.641 561 HZ3 LYS 66 3HZ LYS 66 10.756 -0.763 -7.420 562 H GLN 67 H GLN 67 2.373 -0.758 -5.444 563 HA GLN 67 HA GLN 67 2.601 1.797 -6.807 564 HB2 GLN 67 1HB GLN 67 0.050 0.181 -6.363 565 HB3 GLN 67 2HB GLN 67 0.305 1.458 -7.546 566 HG2 GLN 67 1HG GLN 67 1.494 -1.308 -7.531 567 HG3 GLN 67 2HG GLN 67 0.350 -0.637 -8.684 568 HE21 GLN 67 1HE2 GLN 67 4.209 -0.439 -9.471 569 HE22 GLN 67 2HE2 GLN 67 3.460 -1.522 -8.316 570 H GLU 68 H GLU 68 0.642 0.504 -4.070 571 HA GLU 68 HA GLU 68 -0.618 2.909 -3.327 572 HB2 GLU 68 1HB GLU 68 -0.880 0.531 -2.375 573 HB3 GLU 68 2HB GLU 68 0.521 0.893 -1.367 574 HG2 GLU 68 1HG GLU 68 -0.743 2.882 -0.492 575 HG3 GLU 68 2HG GLU 68 -2.157 2.270 -1.355 576 H ALA 69 H ALA 69 2.604 1.676 -2.247 577 HA ALA 69 HA ALA 69 3.199 3.904 -0.580 578 HB1 ALA 69 1HB ALA 69 5.112 2.042 -2.043 579 HB2 ALA 69 2HB ALA 69 5.510 3.073 -0.648 580 HB3 ALA 69 3HB ALA 69 4.357 1.730 -0.460 581 H GLN 70 H GLN 70 3.862 3.427 -4.081 582 HA GLN 70 HA GLN 70 5.542 5.744 -4.381 583 HB2 GLN 70 1HB GLN 70 5.437 4.085 -6.134 584 HB3 GLN 70 2HB GLN 70 3.696 4.282 -6.302 585 HG2 GLN 70 1HG GLN 70 5.315 6.752 -6.763 586 HG3 GLN 70 2HG GLN 70 5.531 5.453 -7.943 587 HE21 GLN 70 1HE2 GLN 70 2.458 7.848 -8.469 588 HE22 GLN 70 2HE2 GLN 70 3.938 8.240 -7.636 589 H ARG 71 H ARG 71 2.018 5.213 -4.566 590 HA ARG 71 HA ARG 71 1.348 7.898 -5.306 591 HB2 ARG 71 1HB ARG 71 -0.063 5.538 -4.146 592 HB3 ARG 71 2HB ARG 71 -0.769 7.123 -3.811 593 HG2 ARG 71 1HG ARG 71 -1.848 6.469 -5.736 594 HG3 ARG 71 2HG ARG 71 -0.581 7.559 -6.298 595 HD2 ARG 71 1HD ARG 71 0.820 5.513 -6.777 596 HD3 ARG 71 2HD ARG 71 -0.661 4.559 -6.505 597 HE ARG 71 HE ARG 71 -1.254 6.748 -8.243 598 HH11 ARG 71 1HH1 ARG 71 0.558 3.710 -8.380 599 HH12 ARG 71 2HH1 ARG 71 0.324 3.545 -10.096 600 HH21 ARG 71 1HH2 ARG 71 -1.468 6.515 -10.376 601 HH22 ARG 71 2HH2 ARG 71 -0.819 5.133 -11.226 602 H LEU 72 H LEU 72 1.763 6.308 -2.096 603 HA LEU 72 HA LEU 72 1.012 8.662 -0.664 604 HB2 LEU 72 1HB LEU 72 2.435 6.131 0.088 605 HB3 LEU 72 2HB LEU 72 2.089 7.424 1.260 606 HG LEU 72 HG LEU 72 -0.138 6.460 -0.526 607 HD11 LEU 72 1HD1 LEU 72 -0.745 4.719 1.074 608 HD12 LEU 72 2HD1 LEU 72 0.775 5.003 1.929 609 HD13 LEU 72 3HD1 LEU 72 0.806 4.396 0.279 610 HD21 LEU 72 1HD2 LEU 72 -1.528 7.015 1.411 611 HD22 LEU 72 2HD2 LEU 72 -0.492 8.390 0.982 612 HD23 LEU 72 3HD2 LEU 72 -0.077 7.370 2.373 613 H LYS 73 H LYS 73 4.022 7.621 -2.147 614 HA LYS 73 HA LYS 73 5.631 9.656 -0.806 615 HB2 LYS 73 1HB LYS 73 6.776 7.774 -1.766 616 HB3 LYS 73 2HB LYS 73 6.021 8.020 -3.333 617 HG2 LYS 73 1HG LYS 73 7.713 10.265 -2.302 618 HG3 LYS 73 2HG LYS 73 8.545 8.787 -2.814 619 HD2 LYS 73 1HD LYS 73 7.514 8.912 -5.041 620 HD3 LYS 73 2HD LYS 73 6.553 10.306 -4.550 621 HE2 LYS 73 1HE LYS 73 8.692 11.559 -4.120 622 HE3 LYS 73 2HE LYS 73 9.549 10.204 -4.894 623 HZ1 LYS 73 1HZ LYS 73 9.116 11.724 -6.613 624 HZ2 LYS 73 2HZ LYS 73 7.600 12.086 -6.094 625 HZ3 LYS 73 3HZ LYS 73 7.901 10.623 -6.808 626 H GLU 74 H GLU 74 3.823 9.454 -3.911 627 HA GLU 74 HA GLU 74 4.694 12.014 -4.867 628 HB2 GLU 74 1HB GLU 74 3.503 10.169 -6.166 629 HB3 GLU 74 2HB GLU 74 2.005 10.730 -5.434 630 HG2 GLU 74 1HG GLU 74 1.789 12.348 -6.975 631 HG3 GLU 74 2HG GLU 74 3.345 13.037 -6.505 632 H LEU 75 H LEU 75 1.955 10.957 -2.852 633 HA LEU 75 HA LEU 75 0.803 13.564 -2.509 634 HB2 LEU 75 1HB LEU 75 0.791 11.076 -0.767 635 HB3 LEU 75 2HB LEU 75 -0.199 12.490 -0.463 636 HG LEU 75 HG LEU 75 -0.423 10.914 -3.028 637 HD11 LEU 75 1HD1 LEU 75 -1.934 10.548 -0.417 638 HD12 LEU 75 2HD1 LEU 75 -0.867 9.371 -1.215 639 HD13 LEU 75 3HD1 LEU 75 -2.397 9.823 -1.978 640 HD21 LEU 75 1HD2 LEU 75 -2.385 12.740 -1.624 641 HD22 LEU 75 2HD2 LEU 75 -2.613 11.919 -3.170 642 HD23 LEU 75 3HD2 LEU 75 -1.388 13.188 -3.028 643 H ARG 76 H ARG 76 3.326 11.735 -0.735 644 HA ARG 76 HA ARG 76 3.693 13.558 1.405 645 HB2 ARG 76 1HB ARG 76 5.171 12.047 2.057 646 HB3 ARG 76 2HB ARG 76 4.905 11.180 0.566 647 HG2 ARG 76 1HG ARG 76 6.779 12.556 -0.478 648 HG3 ARG 76 2HG ARG 76 7.119 13.168 1.147 649 HD2 ARG 76 1HD ARG 76 6.886 10.278 1.137 650 HD3 ARG 76 2HD ARG 76 8.094 10.832 -0.038 651 HE ARG 76 HE ARG 76 8.599 12.307 2.264 652 HH11 ARG 76 1HH1 ARG 76 8.522 8.855 1.519 653 HH12 ARG 76 2HH1 ARG 76 9.727 8.472 2.719 654 HH21 ARG 76 1HH2 ARG 76 10.135 11.746 3.767 655 HH22 ARG 76 2HH2 ARG 76 10.622 10.084 3.969 656 H GLU 77 H GLU 77 4.596 13.955 -1.951 657 HA GLU 77 HA GLU 77 6.742 15.806 -1.523 658 HB2 GLU 77 1HB GLU 77 4.662 15.792 -3.736 659 HB3 GLU 77 2HB GLU 77 6.123 16.789 -3.705 660 HG2 GLU 77 1HG GLU 77 7.472 14.664 -3.501 661 HG3 GLU 77 2HG GLU 77 5.985 13.760 -3.805 662 H GLY 78 H GLY 78 3.313 16.048 -0.887 663 HA2 GLY 78 1HA GLY 78 2.310 17.542 0.517 664 HA3 GLY 78 2HA GLY 78 3.883 18.266 0.812 665 H THR 79 H THR 79 2.519 18.220 -2.439 666 HA THR 79 HA THR 79 2.633 21.080 -2.602 667 HB THR 79 HB THR 79 0.956 19.250 -4.385 668 HG1 THR 79 HG1 THR 79 2.886 18.936 -5.564 669 HG21 THR 79 1HG2 THR 79 1.469 20.860 -6.109 670 HG22 THR 79 2HG2 THR 79 2.597 21.725 -5.039 671 HG23 THR 79 3HG2 THR 79 0.849 21.756 -4.708 672 H GLU 80 H GLU 80 1.271 22.424 -1.495 673 HA GLU 80 HA GLU 80 -1.100 21.330 -0.241 674 HB2 GLU 80 1HB GLU 80 -1.232 23.329 0.960 675 HB3 GLU 80 2HB GLU 80 0.486 22.971 0.777 676 HG2 GLU 80 1HG GLU 80 0.633 24.686 -1.000 677 HG3 GLU 80 2HG GLU 80 -1.082 25.043 -0.799 678 H ASN 81 H ASN 81 -0.825 22.195 -3.333 679 HA ASN 81 HA ASN 81 -3.701 22.819 -3.519 680 HB2 ASN 81 1HB ASN 81 -2.652 25.050 -3.442 681 HB3 ASN 81 2HB ASN 81 -1.516 24.575 -4.715 682 HD21 ASN 81 1HD2 ASN 81 -5.361 25.553 -5.638 683 HD22 ASN 81 2HD2 ASN 81 -4.886 25.252 -3.983 684 H GLU 82 H GLU 82 -4.568 21.816 -5.260 685 HA GLU 82 HA GLU 82 -2.888 20.115 -6.909 686 HB2 GLU 82 1HB GLU 82 -5.846 20.793 -7.057 687 HB3 GLU 82 2HB GLU 82 -5.029 19.535 -7.989 688 HG2 GLU 82 1HG GLU 82 -4.346 18.491 -5.811 689 HG3 GLU 82 2HG GLU 82 -5.461 19.617 -5.013 690 H ARG 83 H ARG 83 -1.811 22.452 -7.378 691 HA ARG 83 HA ARG 83 -2.924 24.031 -9.492 692 HB2 ARG 83 1HB ARG 83 -0.932 24.484 -7.893 693 HB3 ARG 83 2HB ARG 83 0.038 23.534 -9.021 694 HG2 ARG 83 1HG ARG 83 -0.426 25.135 -10.808 695 HG3 ARG 83 2HG ARG 83 -1.549 26.019 -9.750 696 HD2 ARG 83 1HD ARG 83 0.343 26.425 -8.166 697 HD3 ARG 83 2HD ARG 83 1.442 25.680 -9.344 698 HE ARG 83 HE ARG 83 -0.010 27.718 -10.668 699 HH11 ARG 83 1HH1 ARG 83 2.423 27.488 -8.120 700 HH12 ARG 83 2HH1 ARG 83 3.074 29.067 -8.469 701 HH21 ARG 83 1HH2 ARG 83 0.866 29.729 -11.049 702 HH22 ARG 83 2HH2 ARG 83 2.203 30.311 -10.098 703 H SER 84 H SER 84 -2.522 23.927 -11.720 704 HA SER 84 HA SER 84 -3.092 21.887 -13.171 705 HB2 SER 84 1HB SER 84 -0.704 23.484 -14.072 706 HB3 SER 84 2HB SER 84 -2.101 22.923 -15.022 707 HG SER 84 HG SER 84 -3.305 24.510 -14.203 708 H ARG 85 H ARG 85 0.425 22.032 -12.274 709 HA ARG 85 HA ARG 85 1.179 19.851 -13.954 710 HB2 ARG 85 1HB ARG 85 2.772 21.428 -12.779 711 HB3 ARG 85 2HB ARG 85 2.385 20.610 -11.260 712 HG2 ARG 85 1HG ARG 85 3.100 18.484 -12.887 713 HG3 ARG 85 2HG ARG 85 4.171 19.757 -13.473 714 HD2 ARG 85 1HD ARG 85 3.878 19.241 -10.505 715 HD3 ARG 85 2HD ARG 85 4.907 18.192 -11.496 716 HE ARG 85 HE ARG 85 5.655 20.829 -12.088 717 HH11 ARG 85 1HH1 ARG 85 5.705 18.720 -9.248 718 HH12 ARG 85 2HH1 ARG 85 7.128 19.479 -8.594 719 HH21 ARG 85 1HH2 ARG 85 7.471 21.755 -11.184 720 HH22 ARG 85 2HH2 ARG 85 8.096 21.177 -9.665 721 H GLN 86 H GLN 86 -0.071 19.938 -10.626 722 HA GLN 86 HA GLN 86 -0.336 16.961 -10.712 723 HB2 GLN 86 1HB GLN 86 0.565 18.759 -8.442 724 HB3 GLN 86 2HB GLN 86 -0.016 17.106 -8.186 725 HG2 GLN 86 1HG GLN 86 1.781 16.143 -9.383 726 HG3 GLN 86 2HG GLN 86 2.251 17.688 -10.091 727 HE21 GLN 86 1HE2 GLN 86 4.050 16.484 -6.764 728 HE22 GLN 86 2HE2 GLN 86 3.093 15.460 -7.812 729 H LYS 87 H LYS 87 -2.305 18.423 -11.767 730 HA LYS 87 HA LYS 87 -4.305 19.273 -9.864 731 HB2 LYS 87 1HB LYS 87 -4.048 19.489 -12.546 732 HB3 LYS 87 2HB LYS 87 -5.138 18.105 -12.495 733 HG2 LYS 87 1HG LYS 87 -5.728 20.738 -11.058 734 HG3 LYS 87 2HG LYS 87 -6.194 20.437 -12.732 735 HD2 LYS 87 1HD LYS 87 -8.130 19.616 -11.930 736 HD3 LYS 87 2HD LYS 87 -7.203 18.199 -11.419 737 HE2 LYS 87 1HE LYS 87 -6.711 19.887 -9.322 738 HE3 LYS 87 2HE LYS 87 -8.328 20.441 -9.790 739 HZ1 LYS 87 1HZ LYS 87 -9.133 18.183 -9.494 740 HZ2 LYS 87 2HZ LYS 87 -8.319 18.622 -8.116 741 HZ3 LYS 87 3HZ LYS 87 -7.605 17.615 -9.206 742 H TYR 88 H TYR 88 -3.059 16.239 -10.858 743 HA TYR 88 HA TYR 88 -5.439 14.698 -10.073 744 HB2 TYR 88 1HB TYR 88 -4.072 12.788 -10.842 745 HB3 TYR 88 2HB TYR 88 -4.170 14.054 -12.073 746 HD1 TYR 88 HD1 TYR 88 -2.147 15.274 -12.795 747 HD2 TYR 88 HD2 TYR 88 -1.946 12.423 -9.586 748 HE1 TYR 88 HE1 TYR 88 0.357 15.339 -12.864 749 HE2 TYR 88 HE2 TYR 88 0.534 12.510 -9.648 750 HH TYR 88 HH TYR 88 2.373 13.389 -10.606 751 H ALA 89 H ALA 89 -3.346 16.276 -8.137 752 HA ALA 89 HA ALA 89 -1.858 14.289 -6.836 753 HB1 ALA 89 1HB ALA 89 -3.007 16.829 -5.617 754 HB2 ALA 89 2HB ALA 89 -1.655 15.874 -4.973 755 HB3 ALA 89 3HB ALA 89 -1.490 16.707 -6.534 756 H GLU 90 H GLU 90 -5.101 15.538 -5.616 757 HA GLU 90 HA GLU 90 -4.952 13.467 -3.556 758 HB2 GLU 90 1HB GLU 90 -6.311 15.839 -3.766 759 HB3 GLU 90 2HB GLU 90 -7.598 14.647 -4.008 760 HG2 GLU 90 1HG GLU 90 -7.446 15.112 -1.633 761 HG3 GLU 90 2HG GLU 90 -6.826 13.477 -1.912 762 H GLU 91 H GLU 91 -5.952 13.608 -6.814 763 HA GLU 91 HA GLU 91 -7.766 11.378 -6.846 764 HB2 GLU 91 1HB GLU 91 -6.704 13.155 -8.699 765 HB3 GLU 91 2HB GLU 91 -5.961 11.622 -9.158 766 HG2 GLU 91 1HG GLU 91 -8.941 11.869 -8.699 767 HG3 GLU 91 2HG GLU 91 -8.204 12.324 -10.243 768 H GLU 92 H GLU 92 -4.236 11.719 -6.439 769 HA GLU 92 HA GLU 92 -3.729 8.923 -7.024 770 HB2 GLU 92 1HB GLU 92 -2.109 10.896 -5.404 771 HB3 GLU 92 2HB GLU 92 -1.595 9.274 -5.789 772 HG2 GLU 92 1HG GLU 92 -2.211 11.410 -7.843 773 HG3 GLU 92 2HG GLU 92 -0.597 11.011 -7.262 774 H LEU 93 H LEU 93 -5.016 10.661 -4.279 775 HA LEU 93 HA LEU 93 -4.552 8.454 -2.409 776 HB2 LEU 93 1HB LEU 93 -4.832 10.874 -1.743 777 HB3 LEU 93 2HB LEU 93 -6.522 10.751 -2.208 778 HG LEU 93 HG LEU 93 -6.863 9.010 -0.465 779 HD11 LEU 93 1HD1 LEU 93 -4.566 8.151 -0.237 780 HD12 LEU 93 2HD1 LEU 93 -5.166 8.756 1.318 781 HD13 LEU 93 3HD1 LEU 93 -4.023 9.732 0.371 782 HD21 LEU 93 1HD2 LEU 93 -5.702 11.665 0.471 783 HD22 LEU 93 2HD2 LEU 93 -6.779 10.607 1.418 784 HD23 LEU 93 3HD2 LEU 93 -7.372 11.381 -0.068 785 H GLU 94 H GLU 94 -7.027 9.496 -4.742 786 HA GLU 94 HA GLU 94 -9.031 7.544 -3.948 787 HB2 GLU 94 1HB GLU 94 -8.479 8.680 -6.712 788 HB3 GLU 94 2HB GLU 94 -9.919 7.799 -6.237 789 HG2 GLU 94 1HG GLU 94 -9.069 10.499 -5.105 790 HG3 GLU 94 2HG GLU 94 -10.249 10.270 -6.400 791 H GLN 95 H GLN 95 -6.206 7.601 -6.127 792 HA GLN 95 HA GLN 95 -6.440 4.907 -7.062 793 HB2 GLN 95 1HB GLN 95 -4.598 7.098 -7.253 794 HB3 GLN 95 2HB GLN 95 -3.692 5.639 -6.872 795 HG2 GLN 95 1HG GLN 95 -3.808 5.992 -9.277 796 HG3 GLN 95 2HG GLN 95 -4.652 4.508 -8.817 797 HE21 GLN 95 1HE2 GLN 95 -7.044 7.716 -9.875 798 HE22 GLN 95 2HE2 GLN 95 -5.658 7.971 -8.849 799 H VAL 96 H VAL 96 -4.932 6.256 -4.091 800 HA VAL 96 HA VAL 96 -3.708 3.790 -3.211 801 HB VAL 96 HB VAL 96 -4.795 6.205 -1.678 802 HG11 VAL 96 1HG1 VAL 96 -3.626 5.267 0.352 803 HG12 VAL 96 2HG1 VAL 96 -5.087 4.385 -0.123 804 HG13 VAL 96 3HG1 VAL 96 -3.488 3.722 -0.509 805 HG21 VAL 96 1HG2 VAL 96 -1.965 5.181 -2.055 806 HG22 VAL 96 2HG2 VAL 96 -2.713 6.499 -2.979 807 HG23 VAL 96 3HG2 VAL 96 -2.457 6.684 -1.238 808 H ARG 97 H ARG 97 -6.984 5.206 -2.830 809 HA ARG 97 HA ARG 97 -7.951 3.048 -1.197 810 HB2 ARG 97 1HB ARG 97 -9.220 5.211 -2.829 811 HB3 ARG 97 2HB ARG 97 -10.227 3.879 -2.242 812 HG2 ARG 97 1HG ARG 97 -9.787 4.371 0.016 813 HG3 ARG 97 2HG ARG 97 -8.383 5.381 -0.373 814 HD2 ARG 97 1HD ARG 97 -11.132 6.141 -1.336 815 HD3 ARG 97 2HD ARG 97 -10.601 6.526 0.315 816 HE ARG 97 HE ARG 97 -8.532 7.380 -1.361 817 HH11 ARG 97 1HH1 ARG 97 -11.951 8.202 -0.986 818 HH12 ARG 97 2HH1 ARG 97 -11.706 9.826 -1.577 819 HH21 ARG 97 1HH2 ARG 97 -8.314 9.499 -1.995 820 HH22 ARG 97 2HH2 ARG 97 -9.714 10.535 -2.129 821 H GLU 98 H GLU 98 -7.749 3.412 -4.764 822 HA GLU 98 HA GLU 98 -9.156 0.902 -5.188 823 HB2 GLU 98 1HB GLU 98 -9.033 2.586 -6.948 824 HB3 GLU 98 2HB GLU 98 -7.277 2.417 -7.022 825 HG2 GLU 98 1HG GLU 98 -8.437 1.201 -8.869 826 HG3 GLU 98 2HG GLU 98 -7.456 0.138 -7.856 827 H ALA 99 H ALA 99 -5.720 1.794 -4.666 828 HA ALA 99 HA ALA 99 -4.592 -0.769 -5.274 829 HB1 ALA 99 1HB ALA 99 -3.702 1.147 -3.078 830 HB2 ALA 99 2HB ALA 99 -2.729 -0.110 -3.867 831 HB3 ALA 99 3HB ALA 99 -3.266 1.313 -4.794 832 H LEU 100 H LEU 100 -5.984 0.632 -2.271 833 HA LEU 100 HA LEU 100 -5.726 -1.753 -0.704 834 HB2 LEU 100 1HB LEU 100 -7.650 0.580 -0.535 835 HB3 LEU 100 2HB LEU 100 -7.571 -0.699 0.675 836 HG LEU 100 HG LEU 100 -5.182 1.029 -0.055 837 HD11 LEU 100 1HD1 LEU 100 -7.211 1.403 2.175 838 HD12 LEU 100 2HD1 LEU 100 -6.980 2.461 0.764 839 HD13 LEU 100 3HD1 LEU 100 -5.692 2.318 1.975 840 HD21 LEU 100 1HD2 LEU 100 -4.580 -1.062 1.049 841 HD22 LEU 100 2HD2 LEU 100 -5.785 -0.777 2.325 842 HD23 LEU 100 3HD2 LEU 100 -4.359 0.284 2.171 843 H ARG 101 H ARG 101 -8.376 -0.600 -2.853 844 HA ARG 101 HA ARG 101 -10.150 -2.761 -2.188 845 HB2 ARG 101 1HB ARG 101 -10.970 -0.759 -3.309 846 HB3 ARG 101 2HB ARG 101 -9.936 -1.072 -4.703 847 HG2 ARG 101 1HG ARG 101 -12.267 -1.680 -5.194 848 HG3 ARG 101 2HG ARG 101 -11.201 -3.086 -5.263 849 HD2 ARG 101 1HD ARG 101 -11.957 -3.497 -2.779 850 HD3 ARG 101 2HD ARG 101 -13.303 -2.417 -3.184 851 HE ARG 101 HE ARG 101 -13.338 -4.171 -5.254 852 HH11 ARG 101 1HH1 ARG 101 -13.257 -4.775 -1.756 853 HH12 ARG 101 2HH1 ARG 101 -14.015 -6.358 -1.959 854 HH21 ARG 101 1HH2 ARG 101 -14.324 -6.180 -5.349 855 HH22 ARG 101 2HH2 ARG 101 -14.576 -7.114 -3.888 856 H LYS 102 H LYS 102 -7.491 -2.478 -4.580 857 HA LYS 102 HA LYS 102 -8.018 -4.991 -5.872 858 HB2 LYS 102 1HB LYS 102 -6.368 -3.193 -6.601 859 HB3 LYS 102 2HB LYS 102 -5.284 -3.762 -5.340 860 HG2 LYS 102 1HG LYS 102 -6.262 -5.487 -7.671 861 HG3 LYS 102 2HG LYS 102 -4.737 -4.596 -7.649 862 HD2 LYS 102 1HD LYS 102 -4.396 -5.995 -5.369 863 HD3 LYS 102 2HD LYS 102 -5.482 -7.115 -6.203 864 HE2 LYS 102 1HE LYS 102 -3.950 -7.180 -8.135 865 HE3 LYS 102 2HE LYS 102 -2.881 -6.010 -7.335 866 HZ1 LYS 102 1HZ LYS 102 -2.630 -7.691 -5.521 867 HZ2 LYS 102 2HZ LYS 102 -2.016 -8.194 -6.964 868 HZ3 LYS 102 3HZ LYS 102 -3.458 -8.784 -6.432 869 H ALA 103 H ALA 103 -6.087 -4.096 -2.961 870 HA ALA 103 HA ALA 103 -5.203 -6.761 -2.420 871 HB1 ALA 103 1HB ALA 103 -4.204 -4.775 -1.340 872 HB2 ALA 103 2HB ALA 103 -5.730 -4.455 -0.486 873 HB3 ALA 103 3HB ALA 103 -4.799 -5.919 -0.116 874 H GLU 104 H GLU 104 -8.120 -4.965 -1.349 875 HA GLU 104 HA GLU 104 -9.172 -7.033 0.321 876 HB2 GLU 104 1HB GLU 104 -9.847 -4.606 0.192 877 HB3 GLU 104 2HB GLU 104 -10.698 -4.977 -1.308 878 HG2 GLU 104 1HG GLU 104 -12.163 -6.532 -0.096 879 HG3 GLU 104 2HG GLU 104 -11.279 -6.196 1.405 880 H LYS 105 H LYS 105 -9.635 -6.339 -3.166 881 HA LYS 105 HA LYS 105 -11.547 -8.453 -3.611 882 HB2 LYS 105 1HB LYS 105 -11.091 -6.438 -5.062 883 HB3 LYS 105 2HB LYS 105 -9.592 -7.216 -5.582 884 HG2 LYS 105 1HG LYS 105 -10.877 -9.076 -6.531 885 HG3 LYS 105 2HG LYS 105 -12.386 -8.331 -5.958 886 HD2 LYS 105 1HD LYS 105 -11.885 -6.323 -7.322 887 HD3 LYS 105 2HD LYS 105 -10.423 -7.126 -7.936 888 HE2 LYS 105 1HE LYS 105 -11.819 -8.944 -8.863 889 HE3 LYS 105 2HE LYS 105 -13.277 -8.131 -8.254 890 HZ1 LYS 105 1HZ LYS 105 -12.726 -6.234 -9.662 891 HZ2 LYS 105 2HZ LYS 105 -12.878 -7.599 -10.577 892 HZ3 LYS 105 3HZ LYS 105 -11.381 -6.998 -10.233 893 H GLU 106 H GLU 106 -8.013 -8.280 -3.587 894 HA GLU 106 HA GLU 106 -7.632 -10.918 -4.709 895 HB2 GLU 106 1HB GLU 106 -5.900 -9.113 -4.630 896 HB3 GLU 106 2HB GLU 106 -5.782 -9.338 -2.883 897 HG2 GLU 106 1HG GLU 106 -4.678 -11.334 -3.080 898 HG3 GLU 106 2HG GLU 106 -5.462 -11.735 -4.620 899 H LEU 107 H LEU 107 -8.091 -9.559 -1.445 900 HA LEU 107 HA LEU 107 -7.617 -11.988 -0.001 901 HB2 LEU 107 1HB LEU 107 -7.796 -9.655 0.909 902 HB3 LEU 107 2HB LEU 107 -9.525 -9.728 0.676 903 HG LEU 107 HG LEU 107 -8.048 -11.586 2.543 904 HD11 LEU 107 1HD1 LEU 107 -9.382 -8.895 3.085 905 HD12 LEU 107 2HD1 LEU 107 -7.636 -9.234 3.154 906 HD13 LEU 107 3HD1 LEU 107 -8.735 -9.994 4.324 907 HD21 LEU 107 1HD2 LEU 107 -10.274 -12.426 2.082 908 HD22 LEU 107 2HD2 LEU 107 -10.984 -10.809 2.281 909 HD23 LEU 107 3HD2 LEU 107 -10.306 -11.672 3.681 910 H GLU 108 H GLU 108 -10.555 -10.585 -1.537 911 HA GLU 108 HA GLU 108 -12.403 -12.590 -0.708 912 HB2 GLU 108 1HB GLU 108 -12.242 -11.010 -3.297 913 HB3 GLU 108 2HB GLU 108 -13.613 -12.019 -2.867 914 HG2 GLU 108 1HG GLU 108 -14.218 -10.597 -1.048 915 HG3 GLU 108 2HG GLU 108 -12.689 -9.722 -1.127 916 H SER 109 H SER 109 -10.311 -12.420 -3.630 917 HA SER 109 HA SER 109 -11.134 -14.942 -4.705 918 HB2 SER 109 1HB SER 109 -9.221 -14.693 -6.180 919 HB3 SER 109 2HB SER 109 -10.055 -13.139 -5.995 920 HG SER 109 HG SER 109 -7.587 -13.989 -4.908 921 H HIS 110 H HIS 110 -8.736 -14.055 -2.315 922 HA HIS 110 HA HIS 110 -7.322 -16.617 -2.291 923 HB2 HIS 110 1HB HIS 110 -7.473 -14.147 -0.542 924 HB3 HIS 110 2HB HIS 110 -6.699 -15.593 0.052 925 HD1 HIS 110 HD1 HIS 110 -5.998 -15.332 -3.538 926 HD2 HIS 110 HD2 HIS 110 -4.463 -13.699 -0.006 927 HE1 HIS 110 HE1 HIS 110 -3.670 -14.495 -4.041 928 H SER 111 H SER 111 -10.378 -15.527 -1.187 929 HA SER 111 HA SER 111 -10.496 -17.765 0.812 930 HB2 SER 111 1HB SER 111 -12.076 -16.262 2.062 931 HB3 SER 111 2HB SER 111 -10.448 -15.554 1.911 932 HG SER 111 HG SER 111 -11.151 -14.208 0.325 933 H SER 112 H SER 112 -11.491 -17.133 -2.176 934 HA SER 112 HA SER 112 -14.348 -17.183 -2.017 935 HB2 SER 112 1HB SER 112 -12.478 -18.063 -4.237 936 HB3 SER 112 2HB SER 112 -14.227 -17.802 -4.409 937 HG SER 112 HG SER 112 -12.828 -15.712 -3.229 938 H TRP 113 H TRP 113 -12.239 -19.664 -1.153 939 HA TRP 113 HA TRP 113 -14.456 -21.540 -1.005 940 HB2 TRP 113 1HB TRP 113 -13.352 -21.857 -3.337 941 HB3 TRP 113 2HB TRP 113 -11.983 -22.540 -2.441 942 HD1 TRP 113 HD1 TRP 113 -12.191 -25.087 -1.974 943 HE1 TRP 113 HE1 TRP 113 -14.009 -26.846 -1.881 944 HE3 TRP 113 HE3 TRP 113 -16.192 -21.993 -2.769 945 HZ2 TRP 113 HZ2 TRP 113 -16.859 -26.927 -2.107 946 HZ3 TRP 113 HZ3 TRP 113 -18.488 -22.993 -2.804 947 HH2 TRP 113 HH2 TRP 113 -18.805 -25.447 -2.473 948 H TYR 114 H TYR 114 -13.197 -23.747 -0.119 949 HA TYR 114 HA TYR 114 -11.298 -22.866 2.002 950 HB2 TYR 114 1HB TYR 114 -12.717 -24.197 3.606 951 HB3 TYR 114 2HB TYR 114 -13.482 -22.717 3.014 952 HD1 TYR 114 HD1 TYR 114 -15.454 -22.796 1.536 953 HD2 TYR 114 HD2 TYR 114 -13.543 -26.421 2.845 954 HE1 TYR 114 HE1 TYR 114 -17.407 -24.131 0.722 955 HE2 TYR 114 HE2 TYR 114 -15.484 -27.740 2.032 956 HH TYR 114 HH TYR 114 -17.506 -27.697 1.020 957 H ALA 115 H ALA 115 -10.473 -24.887 3.172 958 HA ALA 115 HA ALA 115 -9.226 -26.590 1.293 959 HB1 ALA 115 1HB ALA 115 -8.448 -25.965 3.632 960 HB2 ALA 115 2HB ALA 115 -9.620 -27.142 4.257 961 HB3 ALA 115 3HB ALA 115 -8.285 -27.692 3.218 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 3.429 38.956 -1.936 2 H2 GLY 1 2H GLY 1 2.308 38.504 -0.816 3 H3 GLY 1 3H GLY 1 1.821 39.147 -2.257 4 HA2 GLY 1 1HA GLY 1 1.467 36.789 -2.268 5 HA3 GLY 1 2HA GLY 1 2.696 37.268 -3.454 6 H SER 2 H SER 2 3.511 35.079 -3.356 7 HA SER 2 HA SER 2 4.913 33.467 -2.657 8 HB2 SER 2 1HB SER 2 6.312 35.809 -1.346 9 HB3 SER 2 2HB SER 2 7.043 34.237 -1.751 10 HG SER 2 HG SER 2 6.839 34.650 -3.863 11 HA PRO 3 HA PRO 3 3.790 32.983 1.782 12 HB2 PRO 3 1HB PRO 3 2.099 30.825 1.621 13 HB3 PRO 3 2HB PRO 3 1.514 32.518 1.557 14 HG2 PRO 3 1HG PRO 3 2.034 30.606 -0.698 15 HG3 PRO 3 2HG PRO 3 0.627 31.673 -0.422 16 HD2 PRO 3 1HD PRO 3 2.669 32.309 -2.116 17 HD3 PRO 3 2HD PRO 3 1.761 33.552 -1.185 18 H GLU 4 H GLU 4 4.065 30.665 -0.878 19 HA GLU 4 HA GLU 4 5.258 28.817 -1.258 20 HB2 GLU 4 1HB GLU 4 7.046 30.965 -0.350 21 HB3 GLU 4 2HB GLU 4 7.798 29.374 -0.376 22 HG2 GLU 4 1HG GLU 4 8.207 30.308 -2.516 23 HG3 GLU 4 2HG GLU 4 6.938 29.100 -2.753 24 H PHE 5 H PHE 5 7.375 27.493 -0.215 25 HA PHE 5 HA PHE 5 6.177 25.595 1.446 26 HB2 PHE 5 1HB PHE 5 8.229 25.219 0.143 27 HB3 PHE 5 2HB PHE 5 9.113 26.342 1.183 28 HD1 PHE 5 HD1 PHE 5 9.946 25.678 3.344 29 HD2 PHE 5 HD2 PHE 5 7.451 23.014 1.059 30 HE1 PHE 5 HE1 PHE 5 10.549 23.809 4.873 31 HE2 PHE 5 HE2 PHE 5 8.054 21.144 2.583 32 HZ PHE 5 HZ PHE 5 9.611 21.531 4.482 33 H ASN 6 H ASN 6 7.958 28.539 2.343 34 HA ASN 6 HA ASN 6 8.324 27.940 5.076 35 HB2 ASN 6 1HB ASN 6 7.781 30.636 3.769 36 HB3 ASN 6 2HB ASN 6 8.478 30.386 5.378 37 HD21 ASN 6 1HD2 ASN 6 11.713 29.859 4.197 38 HD22 ASN 6 2HD2 ASN 6 10.634 29.979 5.566 39 H ARG 7 H ARG 7 5.580 29.891 3.614 40 HA ARG 7 HA ARG 7 4.297 29.799 6.260 41 HB2 ARG 7 1HB ARG 7 3.206 30.827 3.628 42 HB3 ARG 7 2HB ARG 7 2.475 31.055 5.221 43 HG2 ARG 7 1HG ARG 7 4.633 32.210 5.922 44 HG3 ARG 7 2HG ARG 7 5.102 32.185 4.214 45 HD2 ARG 7 1HD ARG 7 2.906 33.365 3.718 46 HD3 ARG 7 2HD ARG 7 2.730 33.580 5.473 47 HE ARG 7 HE ARG 7 5.315 34.462 4.519 48 HH11 ARG 7 1HH1 ARG 7 1.955 35.512 4.781 49 HH12 ARG 7 2HH1 ARG 7 2.384 37.201 4.740 50 HH21 ARG 7 1HH2 ARG 7 5.784 36.630 4.451 51 HH22 ARG 7 2HH2 ARG 7 4.515 37.820 4.562 52 H TYR 8 H TYR 8 4.455 27.671 3.618 53 HA TYR 8 HA TYR 8 1.816 26.481 4.178 54 HB2 TYR 8 1HB TYR 8 4.151 25.560 2.471 55 HB3 TYR 8 2HB TYR 8 2.639 24.678 2.648 56 HD1 TYR 8 HD1 TYR 8 3.748 25.492 0.002 57 HD2 TYR 8 HD2 TYR 8 1.042 27.579 2.631 58 HE1 TYR 8 HE1 TYR 8 2.778 26.711 -1.939 59 HE2 TYR 8 HE2 TYR 8 0.094 28.785 0.682 60 HH TYR 8 HH TYR 8 1.150 28.134 -2.654 61 H SER 9 H SER 9 5.056 26.310 5.457 62 HA SER 9 HA SER 9 5.487 23.635 5.896 63 HB2 SER 9 1HB SER 9 6.057 25.926 7.792 64 HB3 SER 9 2HB SER 9 6.720 24.290 7.970 65 HG SER 9 HG SER 9 7.012 25.519 5.472 66 H LYS 10 H LYS 10 3.258 25.594 7.872 67 HA LYS 10 HA LYS 10 2.813 23.754 9.950 68 HB2 LYS 10 1HB LYS 10 0.416 24.753 9.906 69 HB3 LYS 10 2HB LYS 10 1.782 25.811 10.249 70 HG2 LYS 10 1HG LYS 10 1.148 27.203 8.601 71 HG3 LYS 10 2HG LYS 10 1.358 25.920 7.404 72 HD2 LYS 10 1HD LYS 10 -0.948 25.126 7.856 73 HD3 LYS 10 2HD LYS 10 -1.164 26.441 9.018 74 HE2 LYS 10 1HE LYS 10 -2.163 26.971 6.814 75 HE3 LYS 10 2HE LYS 10 -0.873 28.107 7.246 76 HZ1 LYS 10 1HZ LYS 10 -0.881 27.222 4.892 77 HZ2 LYS 10 2HZ LYS 10 -0.377 25.781 5.482 78 HZ3 LYS 10 3HZ LYS 10 0.561 27.128 5.691 79 H GLU 11 H GLU 11 0.758 23.972 6.971 80 HA GLU 11 HA GLU 11 -0.434 21.411 7.708 81 HB2 GLU 11 1HB GLU 11 -1.754 23.306 6.747 82 HB3 GLU 11 2HB GLU 11 -0.911 23.062 5.221 83 HG2 GLU 11 1HG GLU 11 -3.121 21.998 5.203 84 HG3 GLU 11 2HG GLU 11 -1.828 20.804 5.028 85 H HIS 12 H HIS 12 2.030 22.656 5.501 86 HA HIS 12 HA HIS 12 2.197 20.437 3.750 87 HB2 HIS 12 1HB HIS 12 3.512 22.642 3.671 88 HB3 HIS 12 2HB HIS 12 4.583 21.937 4.886 89 HD1 HIS 12 HD1 HIS 12 5.324 19.234 3.892 90 HD2 HIS 12 HD2 HIS 12 4.604 22.390 1.266 91 HE1 HIS 12 HE1 HIS 12 6.488 18.666 1.722 92 H MET 13 H MET 13 3.856 21.003 6.947 93 HA MET 13 HA MET 13 4.956 18.330 6.946 94 HB2 MET 13 1HB MET 13 4.656 20.501 9.004 95 HB3 MET 13 2HB MET 13 5.056 18.868 9.523 96 HG2 MET 13 1HG MET 13 7.083 20.154 9.281 97 HG3 MET 13 2HG MET 13 7.045 18.857 8.083 98 HE1 MET 13 1HE MET 13 8.800 21.679 8.326 99 HE2 MET 13 2HE MET 13 9.211 20.460 7.094 100 HE3 MET 13 3HE MET 13 8.934 22.154 6.619 101 H LYS 14 H LYS 14 1.968 19.754 8.384 102 HA LYS 14 HA LYS 14 1.289 17.425 9.904 103 HB2 LYS 14 1HB LYS 14 0.231 19.603 10.225 104 HB3 LYS 14 2HB LYS 14 -0.469 19.532 8.608 105 HG2 LYS 14 1HG LYS 14 -1.915 17.719 9.220 106 HG3 LYS 14 2HG LYS 14 -1.141 17.569 10.811 107 HD2 LYS 14 1HD LYS 14 -2.092 19.524 11.621 108 HD3 LYS 14 2HD LYS 14 -2.277 20.235 10.006 109 HE2 LYS 14 1HE LYS 14 -3.889 17.831 10.917 110 HE3 LYS 14 2HE LYS 14 -4.426 19.508 11.168 111 HZ1 LYS 14 1HZ LYS 14 -5.304 18.613 9.099 112 HZ2 LYS 14 2HZ LYS 14 -3.779 18.318 8.531 113 HZ3 LYS 14 3HZ LYS 14 -4.266 19.864 8.778 114 H LYS 15 H LYS 15 0.289 18.362 6.583 115 HA LYS 15 HA LYS 15 -1.252 15.962 6.156 116 HB2 LYS 15 1HB LYS 15 -1.614 18.095 4.967 117 HB3 LYS 15 2HB LYS 15 -0.022 17.963 4.227 118 HG2 LYS 15 1HG LYS 15 -1.706 17.398 2.624 119 HG3 LYS 15 2HG LYS 15 -0.754 15.967 3.007 120 HD2 LYS 15 1HD LYS 15 -2.508 15.010 4.297 121 HD3 LYS 15 2HD LYS 15 -3.425 16.534 4.299 122 HE2 LYS 15 1HE LYS 15 -4.356 14.903 2.666 123 HE3 LYS 15 2HE LYS 15 -3.781 16.385 1.891 124 HZ1 LYS 15 1HZ LYS 15 -3.056 14.583 0.603 125 HZ2 LYS 15 2HZ LYS 15 -2.410 13.767 1.901 126 HZ3 LYS 15 3HZ LYS 15 -1.710 15.151 1.366 127 H MET 16 H MET 16 2.115 16.952 5.328 128 HA MET 16 HA MET 16 2.775 14.613 3.852 129 HB2 MET 16 1HB MET 16 4.227 16.590 3.927 130 HB3 MET 16 2HB MET 16 4.521 16.329 5.651 131 HG2 MET 16 1HG MET 16 5.647 14.199 5.131 132 HG3 MET 16 2HG MET 16 5.342 14.476 3.412 133 HE1 MET 16 1HE MET 16 6.618 16.824 6.431 134 HE2 MET 16 2HE MET 16 7.513 15.288 6.523 135 HE3 MET 16 3HE MET 16 8.359 16.788 6.072 136 H MET 17 H MET 17 2.839 15.255 7.402 137 HA MET 17 HA MET 17 4.016 12.721 8.043 138 HB2 MET 17 1HB MET 17 3.809 14.578 9.680 139 HB3 MET 17 2HB MET 17 2.051 14.361 9.690 140 HG2 MET 17 1HG MET 17 2.338 12.062 10.531 141 HG3 MET 17 2HG MET 17 4.094 12.271 10.510 142 HE1 MET 17 1HE MET 17 3.306 12.165 14.329 143 HE2 MET 17 2HE MET 17 2.486 11.242 13.046 144 HE3 MET 17 3HE MET 17 4.248 11.464 12.990 145 H LYS 18 H LYS 18 0.554 13.776 7.874 146 HA LYS 18 HA LYS 18 -0.566 11.225 8.434 147 HB2 LYS 18 1HB LYS 18 -1.914 13.245 8.373 148 HB3 LYS 18 2HB LYS 18 -1.541 13.505 6.675 149 HG2 LYS 18 1HG LYS 18 -2.769 10.884 7.061 150 HG3 LYS 18 2HG LYS 18 -3.778 12.162 7.746 151 HD2 LYS 18 1HD LYS 18 -4.281 13.058 5.715 152 HD3 LYS 18 2HD LYS 18 -2.657 12.794 5.066 153 HE2 LYS 18 1HE LYS 18 -4.556 10.473 5.487 154 HE3 LYS 18 2HE LYS 18 -4.624 11.475 4.021 155 HZ1 LYS 18 1HZ LYS 18 -3.189 9.586 3.673 156 HZ2 LYS 18 2HZ LYS 18 -2.243 9.985 4.968 157 HZ3 LYS 18 3HZ LYS 18 -2.283 10.970 3.639 158 H ASP 19 H ASP 19 0.612 12.573 5.339 159 HA ASP 19 HA ASP 19 -0.331 10.338 3.779 160 HB2 ASP 19 1HB ASP 19 1.826 12.385 3.239 161 HB3 ASP 19 2HB ASP 19 1.177 11.250 2.042 162 H LEU 20 H LEU 20 2.743 11.014 5.477 163 HA LEU 20 HA LEU 20 3.960 8.618 4.331 164 HB2 LEU 20 1HB LEU 20 4.853 10.555 6.467 165 HB3 LEU 20 2HB LEU 20 5.772 9.117 6.021 166 HG LEU 20 HG LEU 20 5.079 11.420 4.158 167 HD11 LEU 20 1HD1 LEU 20 7.710 10.516 5.392 168 HD12 LEU 20 2HD1 LEU 20 6.777 11.960 5.853 169 HD13 LEU 20 3HD1 LEU 20 7.504 11.853 4.237 170 HD21 LEU 20 1HD2 LEU 20 6.554 8.799 3.666 171 HD22 LEU 20 2HD2 LEU 20 6.752 10.223 2.622 172 HD23 LEU 20 3HD2 LEU 20 5.159 9.458 2.772 173 H GLU 21 H GLU 21 2.161 9.359 7.290 174 HA GLU 21 HA GLU 21 2.790 6.861 8.627 175 HB2 GLU 21 1HB GLU 21 0.237 8.541 8.618 176 HB3 GLU 21 2HB GLU 21 0.496 7.141 9.655 177 HG2 GLU 21 1HG GLU 21 2.058 9.743 9.752 178 HG3 GLU 21 2HG GLU 21 0.816 9.228 10.886 179 H GLY 22 H GLY 22 0.616 7.970 6.055 180 HA2 GLY 22 1HA GLY 22 -0.754 5.469 5.689 181 HA3 GLY 22 2HA GLY 22 -0.629 6.786 4.505 182 H LEU 23 H LEU 23 2.239 6.871 4.278 183 HA LEU 23 HA LEU 23 2.644 4.760 2.383 184 HB2 LEU 23 1HB LEU 23 3.780 7.120 2.750 185 HB3 LEU 23 2HB LEU 23 4.968 6.178 3.649 186 HG LEU 23 HG LEU 23 4.142 5.571 0.783 187 HD11 LEU 23 1HD1 LEU 23 6.145 6.746 0.058 188 HD12 LEU 23 2HD1 LEU 23 6.516 7.206 1.737 189 HD13 LEU 23 3HD1 LEU 23 5.061 7.844 0.929 190 HD21 LEU 23 1HD2 LEU 23 5.250 3.673 1.785 191 HD22 LEU 23 2HD2 LEU 23 6.506 4.701 2.508 192 HD23 LEU 23 3HD2 LEU 23 6.438 4.473 0.746 193 H HIS 24 H HIS 24 3.665 5.197 5.805 194 HA HIS 24 HA HIS 24 5.121 2.728 5.946 195 HB2 HIS 24 1HB HIS 24 5.245 4.517 7.662 196 HB3 HIS 24 2HB HIS 24 3.587 4.146 8.152 197 HD1 HIS 24 HD1 HIS 24 6.644 1.853 7.532 198 HD2 HIS 24 HD2 HIS 24 3.743 2.725 10.425 199 HE1 HIS 24 HE1 HIS 24 7.028 0.284 9.482 200 H ARG 25 H ARG 25 1.647 3.574 6.426 201 HA ARG 25 HA ARG 25 0.866 0.908 7.121 202 HB2 ARG 25 1HB ARG 25 -0.600 2.884 7.429 203 HB3 ARG 25 2HB ARG 25 -0.782 3.015 5.681 204 HG2 ARG 25 1HG ARG 25 -2.757 1.936 6.592 205 HG3 ARG 25 2HG ARG 25 -1.856 0.757 5.631 206 HD2 ARG 25 1HD ARG 25 -0.826 -0.119 7.742 207 HD3 ARG 25 2HD ARG 25 -1.821 1.012 8.662 208 HE ARG 25 HE ARG 25 -3.736 -0.277 8.188 209 HH11 ARG 25 1HH1 ARG 25 -0.935 -1.731 6.566 210 HH12 ARG 25 2HH1 ARG 25 -1.747 -3.279 6.414 211 HH21 ARG 25 1HH2 ARG 25 -4.672 -2.276 7.872 212 HH22 ARG 25 2HH2 ARG 25 -3.764 -3.569 7.104 213 H ALA 26 H ALA 26 1.621 2.386 3.975 214 HA ALA 26 HA ALA 26 0.534 0.184 2.448 215 HB1 ALA 26 1HB ALA 26 1.768 1.095 0.569 216 HB2 ALA 26 2HB ALA 26 0.972 2.407 1.461 217 HB3 ALA 26 3HB ALA 26 2.722 2.137 1.647 218 H GLU 27 H GLU 27 3.696 0.784 4.054 219 HA GLU 27 HA GLU 27 4.975 -1.574 2.925 220 HB2 GLU 27 1HB GLU 27 5.423 -0.232 5.615 221 HB3 GLU 27 2HB GLU 27 6.494 -1.420 4.871 222 HG2 GLU 27 1HG GLU 27 6.937 0.124 3.006 223 HG3 GLU 27 2HG GLU 27 5.830 1.310 3.710 224 H GLN 28 H GLN 28 3.002 -0.851 5.783 225 HA GLN 28 HA GLN 28 2.911 -3.568 6.716 226 HB2 GLN 28 1HB GLN 28 0.942 -1.322 7.222 227 HB3 GLN 28 2HB GLN 28 1.005 -2.860 8.079 228 HG2 GLN 28 1HG GLN 28 3.083 -0.654 8.121 229 HG3 GLN 28 2HG GLN 28 2.063 -1.189 9.454 230 HE21 GLN 28 1HE2 GLN 28 5.662 -2.734 9.069 231 HE22 GLN 28 2HE2 GLN 28 5.111 -1.192 8.455 232 H SER 29 H SER 29 1.393 -1.988 4.000 233 HA SER 29 HA SER 29 -0.804 -3.902 3.888 234 HB2 SER 29 1HB SER 29 -1.588 -2.834 1.995 235 HB3 SER 29 2HB SER 29 -0.868 -1.514 2.932 236 HG SER 29 HG SER 29 1.021 -1.767 1.592 237 H LEU 30 H LEU 30 2.434 -3.573 2.329 238 HA LEU 30 HA LEU 30 2.087 -5.962 0.636 239 HB2 LEU 30 1HB LEU 30 4.681 -6.072 1.109 240 HB3 LEU 30 2HB LEU 30 3.962 -5.068 -0.113 241 HG LEU 30 HG LEU 30 4.294 -3.470 2.188 242 HD11 LEU 30 1HD1 LEU 30 5.887 -5.186 2.941 243 HD12 LEU 30 2HD1 LEU 30 6.709 -3.667 2.553 244 HD13 LEU 30 3HD1 LEU 30 6.775 -5.027 1.406 245 HD21 LEU 30 1HD2 LEU 30 4.380 -2.359 0.148 246 HD22 LEU 30 2HD2 LEU 30 5.572 -3.479 -0.528 247 HD23 LEU 30 3HD2 LEU 30 6.046 -2.321 0.730 248 H HIS 31 H HIS 31 3.248 -5.251 4.012 249 HA HIS 31 HA HIS 31 3.692 -8.027 4.578 250 HB2 HIS 31 1HB HIS 31 3.135 -5.727 6.435 251 HB3 HIS 31 2HB HIS 31 3.601 -7.351 6.952 252 HD1 HIS 31 HD1 HIS 31 5.757 -7.761 4.546 253 HD2 HIS 31 HD2 HIS 31 5.515 -4.552 7.219 254 HE1 HIS 31 HE1 HIS 31 8.058 -6.719 4.674 255 H ASP 32 H ASP 32 0.721 -6.069 4.910 256 HA ASP 32 HA ASP 32 -0.877 -8.058 6.222 257 HB2 ASP 32 1HB ASP 32 -1.299 -5.528 4.897 258 HB3 ASP 32 2HB ASP 32 -2.418 -6.689 4.199 259 H LEU 33 H LEU 33 -0.153 -7.304 2.792 260 HA LEU 33 HA LEU 33 -1.849 -9.264 1.688 261 HB2 LEU 33 1HB LEU 33 0.572 -7.765 0.726 262 HB3 LEU 33 2HB LEU 33 -0.004 -9.134 -0.218 263 HG LEU 33 HG LEU 33 -1.940 -6.998 0.660 264 HD11 LEU 33 1HD1 LEU 33 -0.113 -5.791 -0.445 265 HD12 LEU 33 2HD1 LEU 33 -1.572 -5.796 -1.448 266 HD13 LEU 33 3HD1 LEU 33 -0.222 -6.876 -1.845 267 HD21 LEU 33 1HD2 LEU 33 -1.851 -8.888 -1.739 268 HD22 LEU 33 2HD2 LEU 33 -3.144 -7.723 -1.386 269 HD23 LEU 33 3HD2 LEU 33 -2.860 -9.082 -0.288 270 H GLN 34 H GLN 34 1.697 -9.617 2.543 271 HA GLN 34 HA GLN 34 1.518 -12.416 1.795 272 HB2 GLN 34 1HB GLN 34 3.589 -12.693 3.302 273 HB3 GLN 34 2HB GLN 34 3.718 -11.852 1.784 274 HG2 GLN 34 1HG GLN 34 3.135 -10.032 3.999 275 HG3 GLN 34 2HG GLN 34 4.563 -10.993 4.316 276 HE21 GLN 34 1HE2 GLN 34 5.089 -9.049 0.780 277 HE22 GLN 34 2HE2 GLN 34 3.873 -10.296 0.960 278 H GLU 35 H GLU 35 1.067 -10.789 5.002 279 HA GLU 35 HA GLU 35 1.025 -13.259 6.467 280 HB2 GLU 35 1HB GLU 35 1.196 -10.970 7.491 281 HB3 GLU 35 2HB GLU 35 -0.513 -10.712 7.129 282 HG2 GLU 35 1HG GLU 35 0.069 -13.218 8.625 283 HG3 GLU 35 2HG GLU 35 0.503 -11.739 9.486 284 H ARG 36 H ARG 36 -1.610 -11.283 5.071 285 HA ARG 36 HA ARG 36 -3.640 -13.106 5.994 286 HB2 ARG 36 1HB ARG 36 -3.789 -11.043 3.780 287 HB3 ARG 36 2HB ARG 36 -5.156 -11.779 4.616 288 HG2 ARG 36 1HG ARG 36 -3.126 -10.315 6.293 289 HG3 ARG 36 2HG ARG 36 -4.159 -9.351 5.252 290 HD2 ARG 36 1HD ARG 36 -5.233 -11.341 7.273 291 HD3 ARG 36 2HD ARG 36 -4.919 -9.640 7.642 292 HE ARG 36 HE ARG 36 -7.169 -10.709 6.171 293 HH11 ARG 36 1HH1 ARG 36 -5.174 -7.776 6.486 294 HH12 ARG 36 2HH1 ARG 36 -6.464 -6.770 5.846 295 HH21 ARG 36 1HH2 ARG 36 -8.738 -9.304 5.430 296 HH22 ARG 36 2HH2 ARG 36 -8.394 -7.603 5.247 297 H LEU 37 H LEU 37 -1.619 -12.924 3.079 298 HA LEU 37 HA LEU 37 -3.155 -14.882 1.586 299 HB2 LEU 37 1HB LEU 37 -1.464 -13.458 0.539 300 HB3 LEU 37 2HB LEU 37 -0.205 -14.144 1.539 301 HG LEU 37 HG LEU 37 -0.350 -14.779 -0.924 302 HD11 LEU 37 1HD1 LEU 37 0.643 -16.923 -0.562 303 HD12 LEU 37 2HD1 LEU 37 -0.140 -17.096 1.022 304 HD13 LEU 37 3HD1 LEU 37 1.123 -15.868 0.778 305 HD21 LEU 37 1HD2 LEU 37 -2.345 -16.845 0.040 306 HD22 LEU 37 2HD2 LEU 37 -1.788 -16.520 -1.611 307 HD23 LEU 37 3HD2 LEU 37 -2.820 -15.351 -0.791 308 H HIS 38 H HIS 38 -0.345 -15.050 3.832 309 HA HIS 38 HA HIS 38 -0.012 -17.877 3.722 310 HB2 HIS 38 1HB HIS 38 1.486 -16.139 4.835 311 HB3 HIS 38 2HB HIS 38 0.357 -16.135 6.192 312 HD1 HIS 38 HD1 HIS 38 0.112 -18.501 7.558 313 HD2 HIS 38 HD2 HIS 38 3.305 -18.210 4.833 314 HE1 HIS 38 HE1 HIS 38 1.751 -20.346 8.135 315 H LYS 39 H LYS 39 -2.090 -15.828 5.787 316 HA LYS 39 HA LYS 39 -3.259 -18.000 7.258 317 HB2 LYS 39 1HB LYS 39 -3.243 -15.562 7.859 318 HB3 LYS 39 2HB LYS 39 -4.445 -15.281 6.593 319 HG2 LYS 39 1HG LYS 39 -6.013 -16.762 7.733 320 HG3 LYS 39 2HG LYS 39 -4.798 -17.100 8.983 321 HD2 LYS 39 1HD LYS 39 -4.734 -14.694 9.544 322 HD3 LYS 39 2HD LYS 39 -5.998 -14.392 8.329 323 HE2 LYS 39 1HE LYS 39 -7.519 -15.911 9.519 324 HE3 LYS 39 2HE LYS 39 -6.259 -16.247 10.721 325 HZ1 LYS 39 1HZ LYS 39 -7.487 -13.617 10.202 326 HZ2 LYS 39 2HZ LYS 39 -6.292 -13.904 11.303 327 HZ3 LYS 39 3HZ LYS 39 -7.783 -14.586 11.503 328 H ALA 40 H ALA 40 -4.245 -16.334 4.224 329 HA ALA 40 HA ALA 40 -6.731 -17.717 3.944 330 HB1 ALA 40 1HB ALA 40 -4.897 -16.594 1.783 331 HB2 ALA 40 2HB ALA 40 -6.607 -17.042 1.581 332 HB3 ALA 40 3HB ALA 40 -6.163 -15.689 2.646 333 H GLN 41 H GLN 41 -3.341 -18.609 3.084 334 HA GLN 41 HA GLN 41 -4.219 -21.020 1.722 335 HB2 GLN 41 1HB GLN 41 -1.654 -20.410 3.244 336 HB3 GLN 41 2HB GLN 41 -1.936 -21.888 2.328 337 HG2 GLN 41 1HG GLN 41 -2.149 -20.597 0.263 338 HG3 GLN 41 2HG GLN 41 -1.913 -19.092 1.160 339 HE21 GLN 41 1HE2 GLN 41 1.249 -21.075 -0.190 340 HE22 GLN 41 2HE2 GLN 41 -0.396 -21.338 -0.714 341 H GLU 42 H GLU 42 -2.927 -20.477 5.062 342 HA GLU 42 HA GLU 42 -3.287 -23.075 5.990 343 HB2 GLU 42 1HB GLU 42 -3.388 -20.420 7.422 344 HB3 GLU 42 2HB GLU 42 -3.422 -21.967 8.284 345 HG2 GLU 42 1HG GLU 42 -1.275 -22.600 7.366 346 HG3 GLU 42 2HG GLU 42 -1.240 -21.163 6.339 347 H GLU 43 H GLU 43 -5.774 -20.520 6.006 348 HA GLU 43 HA GLU 43 -7.633 -22.419 7.327 349 HB2 GLU 43 1HB GLU 43 -7.939 -19.531 6.443 350 HB3 GLU 43 2HB GLU 43 -9.163 -20.455 7.323 351 HG2 GLU 43 1HG GLU 43 -7.635 -20.661 9.247 352 HG3 GLU 43 2HG GLU 43 -6.390 -19.759 8.366 353 H HIS 44 H HIS 44 -7.353 -20.586 4.221 354 HA HIS 44 HA HIS 44 -9.928 -21.837 3.411 355 HB2 HIS 44 1HB HIS 44 -8.497 -19.410 2.318 356 HB3 HIS 44 2HB HIS 44 -9.967 -20.092 1.639 357 HD1 HIS 44 HD1 HIS 44 -8.746 -18.432 4.869 358 HD2 HIS 44 HD2 HIS 44 -12.277 -19.369 2.863 359 HE1 HIS 44 HE1 HIS 44 -10.620 -17.326 6.141 360 H ARG 45 H ARG 45 -6.599 -21.979 2.680 361 HA ARG 45 HA ARG 45 -5.401 -22.965 0.992 362 HB2 ARG 45 1HB ARG 45 -5.769 -25.338 0.860 363 HB3 ARG 45 2HB ARG 45 -6.015 -24.754 2.503 364 HG2 ARG 45 1HG ARG 45 -8.515 -24.859 2.099 365 HG3 ARG 45 2HG ARG 45 -8.166 -25.647 0.548 366 HD2 ARG 45 1HD ARG 45 -6.817 -27.335 1.851 367 HD3 ARG 45 2HD ARG 45 -7.469 -26.594 3.327 368 HE ARG 45 HE ARG 45 -9.513 -27.373 1.367 369 HH11 ARG 45 1HH1 ARG 45 -7.628 -28.460 4.155 370 HH12 ARG 45 2HH1 ARG 45 -8.743 -29.749 4.524 371 HH21 ARG 45 1HH2 ARG 45 -10.868 -29.049 1.873 372 HH22 ARG 45 2HH2 ARG 45 -10.556 -30.057 3.270 373 H THR 46 H THR 46 -6.982 -21.170 -0.327 374 HA THR 46 HA THR 46 -8.599 -22.090 -2.340 375 HB THR 46 HB THR 46 -8.292 -19.735 -1.959 376 HG1 THR 46 HG1 THR 46 -8.288 -19.106 -4.069 377 HG21 THR 46 1HG2 THR 46 -5.951 -19.560 -1.386 378 HG22 THR 46 2HG2 THR 46 -6.226 -18.573 -2.832 379 HG23 THR 46 3HG2 THR 46 -5.453 -20.162 -2.986 380 H VAL 47 H VAL 47 -8.615 -22.825 -4.293 381 HA VAL 47 HA VAL 47 -6.523 -24.545 -5.200 382 HB VAL 47 HB VAL 47 -9.053 -24.681 -5.645 383 HG11 VAL 47 1HG1 VAL 47 -9.960 -23.547 -7.601 384 HG12 VAL 47 2HG1 VAL 47 -9.339 -22.340 -6.460 385 HG13 VAL 47 3HG1 VAL 47 -8.401 -22.752 -7.916 386 HG21 VAL 47 1HG2 VAL 47 -7.411 -26.177 -6.726 387 HG22 VAL 47 2HG2 VAL 47 -8.791 -25.819 -7.785 388 HG23 VAL 47 3HG2 VAL 47 -7.229 -25.013 -8.057 389 H GLU 48 H GLU 48 -6.773 -21.209 -5.247 390 HA GLU 48 HA GLU 48 -5.441 -20.618 -7.735 391 HB2 GLU 48 1HB GLU 48 -6.881 -19.121 -6.248 392 HB3 GLU 48 2HB GLU 48 -5.471 -18.960 -5.195 393 HG2 GLU 48 1HG GLU 48 -4.255 -17.812 -6.846 394 HG3 GLU 48 2HG GLU 48 -5.347 -18.352 -8.127 395 H VAL 49 H VAL 49 -4.358 -22.494 -5.310 396 HA VAL 49 HA VAL 49 -1.900 -21.586 -4.438 397 HB VAL 49 HB VAL 49 -2.990 -23.671 -3.705 398 HG11 VAL 49 1HG1 VAL 49 -1.908 -24.945 -6.252 399 HG12 VAL 49 2HG1 VAL 49 -2.798 -25.745 -4.942 400 HG13 VAL 49 3HG1 VAL 49 -3.619 -24.553 -5.962 401 HG21 VAL 49 1HG2 VAL 49 -0.137 -24.122 -4.662 402 HG22 VAL 49 2HG2 VAL 49 -0.605 -23.228 -3.194 403 HG23 VAL 49 3HG2 VAL 49 -0.961 -24.964 -3.328 404 H GLU 50 H GLU 50 -2.621 -22.848 -7.691 405 HA GLU 50 HA GLU 50 0.092 -23.040 -8.577 406 HB2 GLU 50 1HB GLU 50 -2.608 -22.995 -9.786 407 HB3 GLU 50 2HB GLU 50 -1.304 -22.451 -10.849 408 HG2 GLU 50 1HG GLU 50 -1.607 -24.813 -11.174 409 HG3 GLU 50 2HG GLU 50 -0.055 -24.540 -10.363 410 H LYS 51 H LYS 51 -1.935 -20.215 -8.127 411 HA LYS 51 HA LYS 51 -0.005 -18.533 -9.704 412 HB2 LYS 51 1HB LYS 51 -2.544 -17.672 -8.280 413 HB3 LYS 51 2HB LYS 51 -1.615 -16.739 -9.446 414 HG2 LYS 51 1HG LYS 51 -2.317 -18.343 -11.231 415 HG3 LYS 51 2HG LYS 51 -3.290 -19.206 -10.012 416 HD2 LYS 51 1HD LYS 51 -4.199 -16.747 -9.520 417 HD3 LYS 51 2HD LYS 51 -3.709 -16.465 -11.196 418 HE2 LYS 51 1HE LYS 51 -5.229 -18.141 -12.003 419 HE3 LYS 51 2HE LYS 51 -5.468 -18.802 -10.368 420 HZ1 LYS 51 1HZ LYS 51 -7.334 -17.411 -10.973 421 HZ2 LYS 51 2HZ LYS 51 -6.355 -16.116 -11.265 422 HZ3 LYS 51 3HZ LYS 51 -6.515 -16.697 -9.727 423 H VAL 52 H VAL 52 -1.191 -19.384 -6.556 424 HA VAL 52 HA VAL 52 -0.153 -17.137 -5.106 425 HB VAL 52 HB VAL 52 -1.337 -19.801 -4.379 426 HG11 VAL 52 1HG1 VAL 52 -0.167 -17.838 -2.413 427 HG12 VAL 52 2HG1 VAL 52 -1.361 -19.081 -1.975 428 HG13 VAL 52 3HG1 VAL 52 0.233 -19.557 -2.597 429 HG21 VAL 52 1HG2 VAL 52 -2.816 -17.962 -5.135 430 HG22 VAL 52 2HG2 VAL 52 -3.139 -18.408 -3.452 431 HG23 VAL 52 3HG2 VAL 52 -2.204 -16.939 -3.823 432 H HIS 53 H HIS 53 1.457 -19.822 -6.500 433 HA HIS 53 HA HIS 53 3.423 -20.509 -4.723 434 HB2 HIS 53 1HB HIS 53 4.994 -20.740 -6.665 435 HB3 HIS 53 2HB HIS 53 3.437 -21.561 -6.813 436 HD1 HIS 53 HD1 HIS 53 4.001 -21.527 -9.453 437 HD2 HIS 53 HD2 HIS 53 3.172 -17.840 -7.706 438 HE1 HIS 53 HE1 HIS 53 3.521 -19.917 -11.337 439 H LEU 54 H LEU 54 4.974 -19.747 -3.640 440 HA LEU 54 HA LEU 54 4.946 -17.287 -2.686 441 HB2 LEU 54 1HB LEU 54 7.413 -19.011 -2.963 442 HB3 LEU 54 2HB LEU 54 7.287 -17.627 -1.881 443 HG LEU 54 HG LEU 54 5.539 -20.108 -1.712 444 HD11 LEU 54 1HD1 LEU 54 6.927 -20.688 0.238 445 HD12 LEU 54 2HD1 LEU 54 7.957 -19.269 -0.062 446 HD13 LEU 54 3HD1 LEU 54 7.906 -20.602 -1.241 447 HD21 LEU 54 1HD2 LEU 54 5.890 -17.736 0.175 448 HD22 LEU 54 2HD2 LEU 54 4.987 -19.222 0.556 449 HD23 LEU 54 3HD2 LEU 54 4.424 -18.155 -0.743 450 H GLU 55 H GLU 55 7.540 -17.933 -5.150 451 HA GLU 55 HA GLU 55 8.648 -15.355 -4.817 452 HB2 GLU 55 1HB GLU 55 8.627 -17.253 -7.180 453 HB3 GLU 55 2HB GLU 55 9.433 -15.687 -7.224 454 HG2 GLU 55 1HG GLU 55 10.583 -16.549 -5.017 455 HG3 GLU 55 2HG GLU 55 10.163 -18.139 -5.683 456 H LYS 56 H LYS 56 6.354 -16.441 -7.369 457 HA LYS 56 HA LYS 56 6.187 -13.854 -8.570 458 HB2 LYS 56 1HB LYS 56 5.390 -15.998 -9.657 459 HB3 LYS 56 2HB LYS 56 4.033 -15.990 -8.520 460 HG2 LYS 56 1HG LYS 56 3.549 -13.608 -9.418 461 HG3 LYS 56 2HG LYS 56 4.607 -14.044 -10.764 462 HD2 LYS 56 1HD LYS 56 3.142 -15.897 -11.338 463 HD3 LYS 56 2HD LYS 56 2.176 -15.618 -9.867 464 HE2 LYS 56 1HE LYS 56 1.683 -13.299 -10.691 465 HE3 LYS 56 2HE LYS 56 2.492 -13.713 -12.217 466 HZ1 LYS 56 1HZ LYS 56 0.104 -14.020 -12.331 467 HZ2 LYS 56 2HZ LYS 56 0.142 -15.103 -11.088 468 HZ3 LYS 56 3HZ LYS 56 0.873 -15.471 -12.521 469 H LYS 57 H LYS 57 4.143 -15.526 -6.126 470 HA LYS 57 HA LYS 57 2.188 -13.490 -6.007 471 HB2 LYS 57 1HB LYS 57 2.562 -15.905 -4.819 472 HB3 LYS 57 2HB LYS 57 2.835 -14.834 -3.444 473 HG2 LYS 57 1HG LYS 57 0.388 -14.829 -5.242 474 HG3 LYS 57 2HG LYS 57 0.491 -15.586 -3.644 475 HD2 LYS 57 1HD LYS 57 0.968 -13.377 -2.645 476 HD3 LYS 57 2HD LYS 57 0.757 -12.623 -4.242 477 HE2 LYS 57 1HE LYS 57 -1.505 -13.492 -4.377 478 HE3 LYS 57 2HE LYS 57 -1.303 -14.281 -2.811 479 HZ1 LYS 57 1HZ LYS 57 -2.436 -12.323 -2.375 480 HZ2 LYS 57 2HZ LYS 57 -1.500 -11.399 -3.369 481 HZ3 LYS 57 3HZ LYS 57 -0.877 -11.954 -1.937 482 H LEU 58 H LEU 58 5.125 -13.916 -3.964 483 HA LEU 58 HA LEU 58 4.673 -11.586 -2.393 484 HB2 LEU 58 1HB LEU 58 7.224 -12.979 -3.276 485 HB3 LEU 58 2HB LEU 58 7.224 -11.616 -2.163 486 HG LEU 58 HG LEU 58 5.720 -14.185 -1.584 487 HD11 LEU 58 1HD1 LEU 58 8.555 -13.412 -0.779 488 HD12 LEU 58 2HD1 LEU 58 8.101 -14.704 -1.918 489 HD13 LEU 58 3HD1 LEU 58 7.658 -14.837 -0.204 490 HD21 LEU 58 1HD2 LEU 58 5.029 -12.239 -0.260 491 HD22 LEU 58 2HD2 LEU 58 6.717 -11.929 0.201 492 HD23 LEU 58 3HD2 LEU 58 5.893 -13.407 0.751 493 H ARG 59 H ARG 59 6.535 -12.041 -5.467 494 HA ARG 59 HA ARG 59 7.344 -9.301 -5.562 495 HB2 ARG 59 1HB ARG 59 7.020 -11.393 -7.722 496 HB3 ARG 59 2HB ARG 59 7.645 -9.766 -8.052 497 HG2 ARG 59 1HG ARG 59 9.546 -10.090 -6.649 498 HG3 ARG 59 2HG ARG 59 8.850 -11.541 -5.916 499 HD2 ARG 59 1HD ARG 59 8.969 -12.662 -8.152 500 HD3 ARG 59 2HD ARG 59 9.890 -11.259 -8.749 501 HE ARG 59 HE ARG 59 11.278 -11.917 -6.515 502 HH11 ARG 59 1HH1 ARG 59 10.215 -13.965 -9.188 503 HH12 ARG 59 2HH1 ARG 59 11.470 -15.150 -8.892 504 HH21 ARG 59 1HH2 ARG 59 12.882 -13.425 -6.261 505 HH22 ARG 59 2HH2 ARG 59 12.943 -14.847 -7.274 506 H ASP 60 H ASP 60 4.371 -10.849 -6.829 507 HA ASP 60 HA ASP 60 3.553 -8.444 -8.219 508 HB2 ASP 60 1HB ASP 60 2.696 -11.141 -8.056 509 HB3 ASP 60 2HB ASP 60 1.329 -10.169 -7.511 510 H GLU 61 H GLU 61 2.609 -9.880 -5.027 511 HA GLU 61 HA GLU 61 0.583 -7.871 -4.609 512 HB2 GLU 61 1HB GLU 61 0.278 -8.833 -2.481 513 HB3 GLU 61 2HB GLU 61 0.706 -10.155 -3.554 514 HG2 GLU 61 1HG GLU 61 3.082 -9.937 -2.667 515 HG3 GLU 61 2HG GLU 61 2.440 -8.838 -1.444 516 H ILE 62 H ILE 62 3.963 -8.191 -3.470 517 HA ILE 62 HA ILE 62 4.012 -5.717 -2.077 518 HB ILE 62 HB ILE 62 6.313 -7.241 -3.399 519 HG12 ILE 62 1HG1 ILE 62 5.325 -7.220 -0.512 520 HG13 ILE 62 2HG1 ILE 62 4.971 -8.500 -1.650 521 HG21 ILE 62 1HG2 ILE 62 6.440 -5.249 -1.104 522 HG22 ILE 62 2HG2 ILE 62 7.803 -5.984 -1.972 523 HG23 ILE 62 3HG2 ILE 62 6.777 -4.794 -2.788 524 HD11 ILE 62 1HD1 ILE 62 7.660 -7.771 -0.472 525 HD12 ILE 62 2HD1 ILE 62 6.738 -9.272 -0.274 526 HD13 ILE 62 3HD1 ILE 62 7.470 -8.891 -1.848 527 H ASN 63 H ASN 63 4.345 -6.538 -5.565 528 HA ASN 63 HA ASN 63 5.182 -3.868 -6.301 529 HB2 ASN 63 1HB ASN 63 5.413 -5.816 -7.812 530 HB3 ASN 63 2HB ASN 63 3.654 -5.883 -7.971 531 HD21 ASN 63 1HD2 ASN 63 3.723 -3.765 -10.676 532 HD22 ASN 63 2HD2 ASN 63 3.084 -5.186 -9.880 533 H LEU 64 H LEU 64 1.962 -5.334 -5.708 534 HA LEU 64 HA LEU 64 0.482 -3.051 -6.742 535 HB2 LEU 64 1HB LEU 64 -0.245 -5.119 -4.637 536 HB3 LEU 64 2HB LEU 64 -1.358 -3.922 -5.270 537 HG LEU 64 HG LEU 64 -0.052 -6.065 -6.969 538 HD11 LEU 64 1HD1 LEU 64 -2.798 -5.997 -5.671 539 HD12 LEU 64 2HD1 LEU 64 -1.454 -7.065 -5.219 540 HD13 LEU 64 3HD1 LEU 64 -2.208 -7.238 -6.810 541 HD21 LEU 64 1HD2 LEU 64 -2.383 -4.178 -7.479 542 HD22 LEU 64 2HD2 LEU 64 -1.889 -5.515 -8.549 543 HD23 LEU 64 3HD2 LEU 64 -0.797 -4.147 -8.278 544 H ALA 65 H ALA 65 1.626 -4.080 -3.499 545 HA ALA 65 HA ALA 65 0.657 -1.746 -2.141 546 HB1 ALA 65 1HB ALA 65 2.988 -3.560 -1.504 547 HB2 ALA 65 2HB ALA 65 2.216 -2.410 -0.384 548 HB3 ALA 65 3HB ALA 65 1.296 -3.796 -1.006 549 H LYS 66 H LYS 66 3.624 -2.387 -3.963 550 HA LYS 66 HA LYS 66 5.085 -0.021 -3.242 551 HB2 LYS 66 1HB LYS 66 6.105 -1.923 -4.418 552 HB3 LYS 66 2HB LYS 66 5.021 -1.675 -5.777 553 HG2 LYS 66 1HG LYS 66 6.082 0.571 -6.140 554 HG3 LYS 66 2HG LYS 66 7.318 0.092 -4.952 555 HD2 LYS 66 1HD LYS 66 7.893 -1.852 -6.309 556 HD3 LYS 66 2HD LYS 66 6.532 -1.524 -7.400 557 HE2 LYS 66 1HE LYS 66 7.585 0.683 -7.958 558 HE3 LYS 66 2HE LYS 66 9.023 0.163 -7.042 559 HZ1 LYS 66 1HZ LYS 66 7.828 -1.308 -9.328 560 HZ2 LYS 66 2HZ LYS 66 9.197 -1.740 -8.519 561 HZ3 LYS 66 3HZ LYS 66 9.176 -0.360 -9.425 562 H GLN 67 H GLN 67 2.552 -0.670 -5.700 563 HA GLN 67 HA GLN 67 2.774 1.947 -6.908 564 HB2 GLN 67 1HB GLN 67 0.473 -0.034 -6.804 565 HB3 GLN 67 2HB GLN 67 0.422 1.480 -7.709 566 HG2 GLN 67 1HG GLN 67 2.147 0.776 -9.185 567 HG3 GLN 67 2HG GLN 67 2.566 -0.598 -8.159 568 HE21 GLN 67 1HE2 GLN 67 0.445 -2.765 -9.793 569 HE22 GLN 67 2HE2 GLN 67 1.849 -2.493 -8.781 570 H GLU 68 H GLU 68 0.655 0.541 -4.310 571 HA GLU 68 HA GLU 68 -0.658 2.961 -3.658 572 HB2 GLU 68 1HB GLU 68 -1.065 0.644 -2.706 573 HB3 GLU 68 2HB GLU 68 0.311 0.909 -1.639 574 HG2 GLU 68 1HG GLU 68 -0.790 2.857 -0.666 575 HG3 GLU 68 2HG GLU 68 -2.150 2.658 -1.774 576 H ALA 69 H ALA 69 2.520 1.746 -2.450 577 HA ALA 69 HA ALA 69 3.022 3.925 -0.698 578 HB1 ALA 69 1HB ALA 69 4.286 1.827 -0.628 579 HB2 ALA 69 2HB ALA 69 4.975 2.160 -2.234 580 HB3 ALA 69 3HB ALA 69 5.394 3.199 -0.857 581 H GLN 70 H GLN 70 3.819 3.566 -4.188 582 HA GLN 70 HA GLN 70 5.349 5.987 -4.373 583 HB2 GLN 70 1HB GLN 70 5.274 4.190 -6.122 584 HB3 GLN 70 2HB GLN 70 3.626 4.697 -6.524 585 HG2 GLN 70 1HG GLN 70 4.469 6.949 -7.127 586 HG3 GLN 70 2HG GLN 70 6.116 6.434 -6.735 587 HE21 GLN 70 1HE2 GLN 70 4.986 6.064 -10.425 588 HE22 GLN 70 2HE2 GLN 70 4.504 7.280 -9.251 589 H ARG 71 H ARG 71 1.882 5.243 -4.734 590 HA ARG 71 HA ARG 71 1.074 7.874 -5.517 591 HB2 ARG 71 1HB ARG 71 -0.360 5.601 -4.107 592 HB3 ARG 71 2HB ARG 71 -1.168 7.092 -4.597 593 HG2 ARG 71 1HG ARG 71 -0.802 6.676 -6.869 594 HG3 ARG 71 2HG ARG 71 0.402 5.438 -6.562 595 HD2 ARG 71 1HD ARG 71 -1.303 3.935 -5.727 596 HD3 ARG 71 2HD ARG 71 -2.540 5.207 -5.910 597 HE ARG 71 HE ARG 71 -1.240 4.996 -8.382 598 HH11 ARG 71 1HH1 ARG 71 -3.308 2.906 -6.422 599 HH12 ARG 71 2HH1 ARG 71 -3.876 2.023 -7.811 600 HH21 ARG 71 1HH2 ARG 71 -2.035 3.848 -10.090 601 HH22 ARG 71 2HH2 ARG 71 -3.184 2.561 -9.851 602 H LEU 72 H LEU 72 1.603 6.383 -2.291 603 HA LEU 72 HA LEU 72 0.588 8.690 -0.881 604 HB2 LEU 72 1HB LEU 72 2.222 6.293 -0.091 605 HB3 LEU 72 2HB LEU 72 1.841 7.593 1.059 606 HG LEU 72 HG LEU 72 -0.397 6.479 -0.571 607 HD11 LEU 72 1HD1 LEU 72 0.665 5.020 1.816 608 HD12 LEU 72 2HD1 LEU 72 0.768 4.466 0.145 609 HD13 LEU 72 3HD1 LEU 72 -0.813 4.646 0.924 610 HD21 LEU 72 1HD2 LEU 72 -0.813 8.319 0.967 611 HD22 LEU 72 2HD2 LEU 72 -0.163 7.369 2.317 612 HD23 LEU 72 3HD2 LEU 72 -1.666 6.863 1.509 613 H LYS 73 H LYS 73 3.675 7.780 -2.301 614 HA LYS 73 HA LYS 73 5.142 9.890 -0.937 615 HB2 LYS 73 1HB LYS 73 6.166 7.850 -1.988 616 HB3 LYS 73 2HB LYS 73 5.817 8.553 -3.571 617 HG2 LYS 73 1HG LYS 73 7.184 10.563 -2.898 618 HG3 LYS 73 2HG LYS 73 7.659 9.681 -1.435 619 HD2 LYS 73 1HD LYS 73 8.119 8.730 -4.288 620 HD3 LYS 73 2HD LYS 73 9.330 9.543 -3.278 621 HE2 LYS 73 1HE LYS 73 9.122 7.700 -1.599 622 HE3 LYS 73 2HE LYS 73 7.994 6.866 -2.689 623 HZ1 LYS 73 1HZ LYS 73 10.794 7.562 -3.340 624 HZ2 LYS 73 2HZ LYS 73 9.742 6.786 -4.345 625 HZ3 LYS 73 3HZ LYS 73 10.245 6.055 -2.954 626 H GLU 74 H GLU 74 3.618 9.616 -4.222 627 HA GLU 74 HA GLU 74 4.463 12.294 -4.909 628 HB2 GLU 74 1HB GLU 74 2.307 10.511 -6.085 629 HB3 GLU 74 2HB GLU 74 2.792 12.085 -6.752 630 HG2 GLU 74 1HG GLU 74 5.187 11.200 -6.802 631 HG3 GLU 74 2HG GLU 74 4.538 9.604 -6.424 632 H LEU 75 H LEU 75 1.635 10.935 -3.270 633 HA LEU 75 HA LEU 75 0.097 13.331 -3.055 634 HB2 LEU 75 1HB LEU 75 -0.718 11.090 -2.481 635 HB3 LEU 75 2HB LEU 75 0.467 10.971 -1.198 636 HG LEU 75 HG LEU 75 -0.735 12.812 0.005 637 HD11 LEU 75 1HD1 LEU 75 -2.840 12.227 -2.069 638 HD12 LEU 75 2HD1 LEU 75 -2.014 13.779 -1.819 639 HD13 LEU 75 3HD1 LEU 75 -3.109 13.137 -0.580 640 HD21 LEU 75 1HD2 LEU 75 -2.177 10.218 -0.650 641 HD22 LEU 75 2HD2 LEU 75 -2.506 11.246 0.767 642 HD23 LEU 75 3HD2 LEU 75 -0.923 10.464 0.593 643 H ARG 76 H ARG 76 2.638 11.953 -0.849 644 HA ARG 76 HA ARG 76 2.436 14.166 0.980 645 HB2 ARG 76 1HB ARG 76 4.152 13.212 2.205 646 HB3 ARG 76 2HB ARG 76 3.412 11.825 1.421 647 HG2 ARG 76 1HG ARG 76 5.493 11.241 0.834 648 HG3 ARG 76 2HG ARG 76 5.383 12.525 -0.353 649 HD2 ARG 76 1HD ARG 76 6.212 14.077 1.535 650 HD3 ARG 76 2HD ARG 76 6.764 12.566 2.287 651 HE ARG 76 HE ARG 76 7.581 12.595 -0.442 652 HH11 ARG 76 1HH1 ARG 76 8.357 14.299 2.552 653 HH12 ARG 76 2HH1 ARG 76 9.977 14.666 2.023 654 HH21 ARG 76 1HH2 ARG 76 9.614 13.131 -1.076 655 HH22 ARG 76 2HH2 ARG 76 10.685 14.000 0.007 656 H GLU 77 H GLU 77 3.893 13.995 -2.119 657 HA GLU 77 HA GLU 77 5.638 16.320 -1.459 658 HB2 GLU 77 1HB GLU 77 5.489 14.526 -3.898 659 HB3 GLU 77 2HB GLU 77 6.508 15.982 -3.791 660 HG2 GLU 77 1HG GLU 77 7.621 15.066 -1.789 661 HG3 GLU 77 2HG GLU 77 6.615 13.626 -1.881 662 H GLY 78 H GLY 78 2.474 15.800 -2.216 663 HA2 GLY 78 1HA GLY 78 2.309 18.326 -3.819 664 HA3 GLY 78 2HA GLY 78 1.131 17.017 -3.859 665 H THR 79 H THR 79 2.400 17.772 -0.745 666 HA THR 79 HA THR 79 -0.199 18.376 0.272 667 HB THR 79 HB THR 79 0.996 18.841 2.385 668 HG1 THR 79 HG1 THR 79 2.850 19.768 0.990 669 HG21 THR 79 1HG2 THR 79 1.957 16.690 2.669 670 HG22 THR 79 2HG2 THR 79 2.362 16.558 0.959 671 HG23 THR 79 3HG2 THR 79 0.673 16.469 1.466 672 H GLU 80 H GLU 80 -1.277 20.188 0.561 673 HA GLU 80 HA GLU 80 -1.933 22.339 0.196 674 HB2 GLU 80 1HB GLU 80 -0.516 22.445 2.359 675 HB3 GLU 80 2HB GLU 80 0.687 23.292 1.372 676 HG2 GLU 80 1HG GLU 80 -1.024 25.019 0.792 677 HG3 GLU 80 2HG GLU 80 -2.236 24.136 1.723 678 H ASN 81 H ASN 81 -0.800 21.082 -2.005 679 HA ASN 81 HA ASN 81 0.542 23.359 -3.396 680 HB2 ASN 81 1HB ASN 81 1.901 21.260 -3.035 681 HB3 ASN 81 2HB ASN 81 0.770 20.406 -4.079 682 HD21 ASN 81 1HD2 ASN 81 3.827 21.988 -5.788 683 HD22 ASN 81 2HD2 ASN 81 3.694 21.302 -4.186 684 H GLU 82 H GLU 82 -0.932 20.401 -4.746 685 HA GLU 82 HA GLU 82 -2.382 20.157 -6.497 686 HB2 GLU 82 1HB GLU 82 -3.873 21.954 -4.600 687 HB3 GLU 82 2HB GLU 82 -4.635 21.354 -6.074 688 HG2 GLU 82 1HG GLU 82 -3.376 19.511 -4.003 689 HG3 GLU 82 2HG GLU 82 -5.079 19.994 -3.976 690 H ARG 83 H ARG 83 -0.363 22.241 -6.969 691 HA ARG 83 HA ARG 83 -1.635 24.430 -8.370 692 HB2 ARG 83 1HB ARG 83 0.759 24.161 -7.401 693 HB3 ARG 83 2HB ARG 83 1.155 23.396 -8.938 694 HG2 ARG 83 1HG ARG 83 0.663 25.462 -10.120 695 HG3 ARG 83 2HG ARG 83 -0.012 26.185 -8.641 696 HD2 ARG 83 1HD ARG 83 2.213 25.891 -7.544 697 HD3 ARG 83 2HD ARG 83 2.871 25.341 -9.097 698 HE ARG 83 HE ARG 83 1.641 27.826 -9.563 699 HH11 ARG 83 1HH1 ARG 83 4.352 26.640 -7.640 700 HH12 ARG 83 2HH1 ARG 83 5.202 28.162 -7.726 701 HH21 ARG 83 1HH2 ARG 83 2.787 29.738 -9.635 702 HH22 ARG 83 2HH2 ARG 83 4.329 29.879 -8.836 703 H SER 84 H SER 84 -0.979 24.702 -10.856 704 HA SER 84 HA SER 84 -2.651 23.081 -12.311 705 HB2 SER 84 1HB SER 84 -0.218 24.358 -13.543 706 HB3 SER 84 2HB SER 84 -1.873 24.243 -14.188 707 HG SER 84 HG SER 84 -2.538 25.749 -12.696 708 H ARG 85 H ARG 85 0.607 22.074 -11.461 709 HA ARG 85 HA ARG 85 0.257 19.778 -13.369 710 HB2 ARG 85 1HB ARG 85 2.831 21.114 -12.457 711 HB3 ARG 85 2HB ARG 85 2.747 19.587 -13.340 712 HG2 ARG 85 1HG ARG 85 1.575 20.785 -15.196 713 HG3 ARG 85 2HG ARG 85 1.905 22.313 -14.347 714 HD2 ARG 85 1HD ARG 85 4.319 21.818 -14.396 715 HD3 ARG 85 2HD ARG 85 3.990 20.273 -15.206 716 HE ARG 85 HE ARG 85 2.839 22.389 -16.726 717 HH11 ARG 85 1HH1 ARG 85 6.012 21.045 -15.957 718 HH12 ARG 85 2HH1 ARG 85 6.720 21.617 -17.443 719 HH21 ARG 85 1HH2 ARG 85 3.809 23.081 -18.608 720 HH22 ARG 85 2HH2 ARG 85 5.493 22.750 -18.914 721 H GLN 86 H GLN 86 -0.201 20.547 -10.304 722 HA GLN 86 HA GLN 86 0.874 17.953 -9.253 723 HB2 GLN 86 1HB GLN 86 0.875 20.722 -8.015 724 HB3 GLN 86 2HB GLN 86 0.977 19.261 -7.035 725 HG2 GLN 86 1HG GLN 86 3.189 20.052 -7.301 726 HG3 GLN 86 2HG GLN 86 3.032 18.598 -8.287 727 HE21 GLN 86 1HE2 GLN 86 4.560 20.291 -10.889 728 HE22 GLN 86 2HE2 GLN 86 4.513 18.919 -9.810 729 H LYS 87 H LYS 87 -1.784 19.287 -10.332 730 HA LYS 87 HA LYS 87 -3.592 19.245 -8.075 731 HB2 LYS 87 1HB LYS 87 -5.342 19.511 -9.724 732 HB3 LYS 87 2HB LYS 87 -4.009 20.605 -10.088 733 HG2 LYS 87 1HG LYS 87 -3.532 19.600 -12.084 734 HG3 LYS 87 2HG LYS 87 -3.881 17.973 -11.490 735 HD2 LYS 87 1HD LYS 87 -6.279 19.719 -11.697 736 HD3 LYS 87 2HD LYS 87 -5.462 19.407 -13.234 737 HE2 LYS 87 1HE LYS 87 -6.980 17.638 -13.145 738 HE3 LYS 87 2HE LYS 87 -5.506 16.890 -12.526 739 HZ1 LYS 87 1HZ LYS 87 -7.420 16.286 -11.190 740 HZ2 LYS 87 2HZ LYS 87 -7.768 17.865 -10.862 741 HZ3 LYS 87 3HZ LYS 87 -6.387 17.184 -10.270 742 H TYR 88 H TYR 88 -1.988 16.739 -8.678 743 HA TYR 88 HA TYR 88 -4.308 14.892 -8.893 744 HB2 TYR 88 1HB TYR 88 -2.997 13.353 -10.143 745 HB3 TYR 88 2HB TYR 88 -2.852 14.919 -10.945 746 HD1 TYR 88 HD1 TYR 88 -1.102 12.191 -9.297 747 HD2 TYR 88 HD2 TYR 88 -0.662 16.253 -10.646 748 HE1 TYR 88 HE1 TYR 88 1.366 11.967 -9.155 749 HE2 TYR 88 HE2 TYR 88 1.827 16.013 -10.501 750 HH TYR 88 HH TYR 88 3.377 12.934 -9.498 751 H ALA 89 H ALA 89 -2.367 16.241 -6.708 752 HA ALA 89 HA ALA 89 -1.063 13.969 -5.533 753 HB1 ALA 89 1HB ALA 89 -0.876 15.388 -3.535 754 HB2 ALA 89 2HB ALA 89 -0.507 16.343 -4.989 755 HB3 ALA 89 3HB ALA 89 -2.082 16.520 -4.186 756 H GLU 90 H GLU 90 -4.161 15.684 -4.696 757 HA GLU 90 HA GLU 90 -4.885 13.566 -2.853 758 HB2 GLU 90 1HB GLU 90 -6.650 15.656 -4.152 759 HB3 GLU 90 2HB GLU 90 -7.080 14.640 -2.771 760 HG2 GLU 90 1HG GLU 90 -4.905 16.779 -2.857 761 HG3 GLU 90 2HG GLU 90 -6.444 16.871 -1.994 762 H GLU 91 H GLU 91 -5.201 13.932 -6.311 763 HA GLU 91 HA GLU 91 -7.240 11.937 -6.737 764 HB2 GLU 91 1HB GLU 91 -6.493 13.419 -8.558 765 HB3 GLU 91 2HB GLU 91 -4.870 12.766 -8.439 766 HG2 GLU 91 1HG GLU 91 -5.807 11.777 -10.353 767 HG3 GLU 91 2HG GLU 91 -5.749 10.516 -9.119 768 H GLU 92 H GLU 92 -3.666 11.825 -6.196 769 HA GLU 92 HA GLU 92 -3.498 9.000 -6.683 770 HB2 GLU 92 1HB GLU 92 -1.731 10.876 -5.101 771 HB3 GLU 92 2HB GLU 92 -1.391 9.164 -5.275 772 HG2 GLU 92 1HG GLU 92 -1.794 10.925 -7.690 773 HG3 GLU 92 2HG GLU 92 -0.227 10.801 -6.881 774 H LEU 93 H LEU 93 -4.616 10.873 -3.909 775 HA LEU 93 HA LEU 93 -4.462 8.647 -2.044 776 HB2 LEU 93 1HB LEU 93 -4.650 11.024 -1.342 777 HB3 LEU 93 2HB LEU 93 -6.272 11.081 -2.010 778 HG LEU 93 HG LEU 93 -7.065 9.470 -0.357 779 HD11 LEU 93 1HD1 LEU 93 -4.216 9.540 0.725 780 HD12 LEU 93 2HD1 LEU 93 -5.068 8.130 0.060 781 HD13 LEU 93 3HD1 LEU 93 -5.617 8.853 1.581 782 HD21 LEU 93 1HD2 LEU 93 -5.501 11.799 0.834 783 HD22 LEU 93 2HD2 LEU 93 -6.875 10.958 1.600 784 HD23 LEU 93 3HD2 LEU 93 -7.119 11.888 0.107 785 H GLU 94 H GLU 94 -6.894 9.866 -4.373 786 HA GLU 94 HA GLU 94 -8.968 7.995 -3.631 787 HB2 GLU 94 1HB GLU 94 -8.335 9.200 -6.358 788 HB3 GLU 94 2HB GLU 94 -9.824 8.367 -5.940 789 HG2 GLU 94 1HG GLU 94 -8.860 10.931 -4.619 790 HG3 GLU 94 2HG GLU 94 -10.008 10.862 -5.962 791 H GLN 95 H GLN 95 -6.177 7.913 -5.856 792 HA GLN 95 HA GLN 95 -6.705 5.245 -6.817 793 HB2 GLN 95 1HB GLN 95 -4.095 6.792 -6.742 794 HB3 GLN 95 2HB GLN 95 -4.406 5.324 -7.660 795 HG2 GLN 95 1HG GLN 95 -5.705 8.019 -8.111 796 HG3 GLN 95 2HG GLN 95 -4.499 7.248 -9.130 797 HE21 GLN 95 1HE2 GLN 95 -8.241 6.741 -10.073 798 HE22 GLN 95 2HE2 GLN 95 -7.519 8.123 -9.275 799 H VAL 96 H VAL 96 -5.119 6.466 -3.893 800 HA VAL 96 HA VAL 96 -3.832 3.951 -3.181 801 HB VAL 96 HB VAL 96 -4.678 6.406 -1.590 802 HG11 VAL 96 1HG1 VAL 96 -5.044 4.644 0.005 803 HG12 VAL 96 2HG1 VAL 96 -3.541 3.823 -0.460 804 HG13 VAL 96 3HG1 VAL 96 -3.478 5.381 0.390 805 HG21 VAL 96 1HG2 VAL 96 -2.613 6.364 -3.056 806 HG22 VAL 96 2HG2 VAL 96 -2.374 6.828 -1.371 807 HG23 VAL 96 3HG2 VAL 96 -1.935 5.191 -1.918 808 H ARG 97 H ARG 97 -7.044 5.461 -2.608 809 HA ARG 97 HA ARG 97 -8.025 3.342 -0.945 810 HB2 ARG 97 1HB ARG 97 -9.199 5.560 -1.426 811 HB3 ARG 97 2HB ARG 97 -9.674 4.868 -2.984 812 HG2 ARG 97 1HG ARG 97 -10.690 2.925 -1.627 813 HG3 ARG 97 2HG ARG 97 -10.499 3.975 -0.214 814 HD2 ARG 97 1HD ARG 97 -12.103 4.557 -2.730 815 HD3 ARG 97 2HD ARG 97 -12.754 4.153 -1.135 816 HE ARG 97 HE ARG 97 -11.990 6.290 -0.304 817 HH11 ARG 97 1HH1 ARG 97 -11.740 6.008 -3.826 818 HH12 ARG 97 2HH1 ARG 97 -11.702 7.754 -4.032 819 HH21 ARG 97 1HH2 ARG 97 -11.892 8.472 -0.679 820 HH22 ARG 97 2HH2 ARG 97 -11.731 9.098 -2.306 821 H GLU 98 H GLU 98 -7.906 3.768 -4.507 822 HA GLU 98 HA GLU 98 -9.224 1.247 -5.010 823 HB2 GLU 98 1HB GLU 98 -7.466 3.001 -6.737 824 HB3 GLU 98 2HB GLU 98 -8.231 1.515 -7.316 825 HG2 GLU 98 1HG GLU 98 -9.672 3.957 -6.221 826 HG3 GLU 98 2HG GLU 98 -9.576 3.474 -7.921 827 H ALA 99 H ALA 99 -5.820 2.100 -4.435 828 HA ALA 99 HA ALA 99 -4.694 -0.419 -5.277 829 HB1 ALA 99 1HB ALA 99 -3.700 1.447 -3.108 830 HB2 ALA 99 2HB ALA 99 -2.769 0.229 -4.001 831 HB3 ALA 99 3HB ALA 99 -3.392 1.662 -4.846 832 H LEU 100 H LEU 100 -5.831 0.843 -2.096 833 HA LEU 100 HA LEU 100 -5.362 -1.585 -0.657 834 HB2 LEU 100 1HB LEU 100 -5.765 0.635 0.371 835 HB3 LEU 100 2HB LEU 100 -7.434 0.589 -0.191 836 HG LEU 100 HG LEU 100 -7.877 -1.364 1.267 837 HD11 LEU 100 1HD1 LEU 100 -5.002 -0.925 2.186 838 HD12 LEU 100 2HD1 LEU 100 -5.678 -2.388 1.431 839 HD13 LEU 100 3HD1 LEU 100 -6.203 -1.916 3.054 840 HD21 LEU 100 1HD2 LEU 100 -7.816 -0.114 3.384 841 HD22 LEU 100 2HD2 LEU 100 -8.302 0.937 2.037 842 HD23 LEU 100 3HD2 LEU 100 -6.646 1.033 2.685 843 H ARG 101 H ARG 101 -8.180 -0.351 -2.449 844 HA ARG 101 HA ARG 101 -10.021 -2.437 -1.816 845 HB2 ARG 101 1HB ARG 101 -10.493 -0.242 -2.960 846 HB3 ARG 101 2HB ARG 101 -9.715 -0.875 -4.405 847 HG2 ARG 101 1HG ARG 101 -11.461 -2.659 -4.499 848 HG3 ARG 101 2HG ARG 101 -12.281 -1.835 -3.146 849 HD2 ARG 101 1HD ARG 101 -12.241 0.276 -4.504 850 HD3 ARG 101 2HD ARG 101 -11.568 -0.651 -5.852 851 HE ARG 101 HE ARG 101 -13.989 -1.870 -4.970 852 HH11 ARG 101 1HH1 ARG 101 -12.860 0.987 -6.735 853 HH12 ARG 101 2HH1 ARG 101 -14.369 1.141 -7.606 854 HH21 ARG 101 1HH2 ARG 101 -15.872 -1.601 -6.130 855 HH22 ARG 101 2HH2 ARG 101 -16.027 -0.303 -7.283 856 H LYS 102 H LYS 102 -7.490 -2.161 -4.313 857 HA LYS 102 HA LYS 102 -8.159 -4.626 -5.646 858 HB2 LYS 102 1HB LYS 102 -6.837 -2.980 -6.802 859 HB3 LYS 102 2HB LYS 102 -5.651 -2.927 -5.505 860 HG2 LYS 102 1HG LYS 102 -4.687 -4.099 -7.349 861 HG3 LYS 102 2HG LYS 102 -4.960 -5.233 -6.027 862 HD2 LYS 102 1HD LYS 102 -7.149 -5.880 -7.218 863 HD3 LYS 102 2HD LYS 102 -6.553 -4.938 -8.599 864 HE2 LYS 102 1HE LYS 102 -5.957 -7.269 -8.928 865 HE3 LYS 102 2HE LYS 102 -4.467 -6.365 -8.559 866 HZ1 LYS 102 1HZ LYS 102 -4.679 -7.091 -6.262 867 HZ2 LYS 102 2HZ LYS 102 -4.612 -8.406 -7.248 868 HZ3 LYS 102 3HZ LYS 102 -6.054 -7.923 -6.598 869 H ALA 103 H ALA 103 -5.964 -3.816 -2.925 870 HA ALA 103 HA ALA 103 -4.845 -6.457 -2.736 871 HB1 ALA 103 1HB ALA 103 -3.782 -4.471 -1.708 872 HB2 ALA 103 2HB ALA 103 -5.167 -4.285 -0.606 873 HB3 ALA 103 3HB ALA 103 -4.117 -5.711 -0.477 874 H GLU 104 H GLU 104 -7.545 -4.843 -0.964 875 HA GLU 104 HA GLU 104 -8.178 -7.142 0.623 876 HB2 GLU 104 1HB GLU 104 -9.721 -4.691 -0.210 877 HB3 GLU 104 2HB GLU 104 -10.496 -5.981 0.714 878 HG2 GLU 104 1HG GLU 104 -7.997 -4.477 1.612 879 HG3 GLU 104 2HG GLU 104 -9.645 -4.101 2.134 880 H LYS 105 H LYS 105 -9.206 -6.228 -2.713 881 HA LYS 105 HA LYS 105 -11.087 -8.463 -2.706 882 HB2 LYS 105 1HB LYS 105 -11.269 -6.375 -4.173 883 HB3 LYS 105 2HB LYS 105 -10.092 -7.179 -5.240 884 HG2 LYS 105 1HG LYS 105 -11.578 -9.147 -5.367 885 HG3 LYS 105 2HG LYS 105 -12.697 -8.380 -4.245 886 HD2 LYS 105 1HD LYS 105 -13.137 -6.624 -5.918 887 HD3 LYS 105 2HD LYS 105 -12.073 -7.500 -7.059 888 HE2 LYS 105 1HE LYS 105 -13.455 -9.552 -6.700 889 HE3 LYS 105 2HE LYS 105 -14.525 -8.634 -5.638 890 HZ1 LYS 105 1HZ LYS 105 -14.117 -8.128 -8.515 891 HZ2 LYS 105 2HZ LYS 105 -15.114 -7.262 -7.523 892 HZ3 LYS 105 3HZ LYS 105 -15.430 -8.851 -7.825 893 H GLU 106 H GLU 106 -7.664 -8.106 -3.403 894 HA GLU 106 HA GLU 106 -7.434 -10.633 -4.827 895 HB2 GLU 106 1HB GLU 106 -5.672 -8.869 -4.813 896 HB3 GLU 106 2HB GLU 106 -5.389 -9.160 -3.104 897 HG2 GLU 106 1HG GLU 106 -4.371 -11.163 -3.457 898 HG3 GLU 106 2HG GLU 106 -5.196 -11.455 -4.999 899 H LEU 107 H LEU 107 -7.304 -9.484 -1.460 900 HA LEU 107 HA LEU 107 -6.870 -11.977 -0.171 901 HB2 LEU 107 1HB LEU 107 -7.316 -9.332 0.483 902 HB3 LEU 107 2HB LEU 107 -8.738 -10.116 1.143 903 HG LEU 107 HG LEU 107 -6.015 -11.221 1.772 904 HD11 LEU 107 1HD1 LEU 107 -5.804 -8.815 2.043 905 HD12 LEU 107 2HD1 LEU 107 -5.918 -9.569 3.632 906 HD13 LEU 107 3HD1 LEU 107 -7.332 -8.741 2.950 907 HD21 LEU 107 1HD2 LEU 107 -8.042 -12.437 2.515 908 HD22 LEU 107 2HD2 LEU 107 -8.637 -10.968 3.323 909 HD23 LEU 107 3HD2 LEU 107 -7.163 -11.775 3.903 910 H GLU 108 H GLU 108 -9.889 -10.367 -1.209 911 HA GLU 108 HA GLU 108 -11.766 -12.247 -0.202 912 HB2 GLU 108 1HB GLU 108 -12.408 -10.066 -1.174 913 HB3 GLU 108 2HB GLU 108 -11.787 -10.569 -2.733 914 HG2 GLU 108 1HG GLU 108 -13.552 -12.435 -2.673 915 HG3 GLU 108 2HG GLU 108 -14.305 -11.484 -1.381 916 H SER 109 H SER 109 -10.087 -12.104 -3.392 917 HA SER 109 HA SER 109 -11.266 -14.497 -4.385 918 HB2 SER 109 1HB SER 109 -9.548 -14.445 -6.099 919 HB3 SER 109 2HB SER 109 -10.186 -12.819 -5.811 920 HG SER 109 HG SER 109 -8.154 -12.945 -4.212 921 H HIS 110 H HIS 110 -8.429 -14.026 -2.292 922 HA HIS 110 HA HIS 110 -7.535 -16.784 -2.652 923 HB2 HIS 110 1HB HIS 110 -6.929 -14.765 -0.467 924 HB3 HIS 110 2HB HIS 110 -6.100 -16.307 -0.704 925 HD1 HIS 110 HD1 HIS 110 -6.119 -15.706 -4.050 926 HD2 HIS 110 HD2 HIS 110 -4.490 -13.477 -0.903 927 HE1 HIS 110 HE1 HIS 110 -4.265 -14.309 -5.010 928 H SER 111 H SER 111 -9.945 -15.178 -0.731 929 HA SER 111 HA SER 111 -10.106 -17.519 1.123 930 HB2 SER 111 1HB SER 111 -11.621 -15.960 2.412 931 HB3 SER 111 2HB SER 111 -9.956 -15.363 2.227 932 HG SER 111 HG SER 111 -10.600 -13.934 0.706 933 H SER 112 H SER 112 -11.370 -16.559 -1.785 934 HA SER 112 HA SER 112 -14.189 -17.085 -1.385 935 HB2 SER 112 1HB SER 112 -12.450 -17.061 -3.877 936 HB3 SER 112 2HB SER 112 -14.218 -17.220 -3.888 937 HG SER 112 HG SER 112 -12.890 -15.062 -2.598 938 H TRP 113 H TRP 113 -11.888 -19.219 -0.793 939 HA TRP 113 HA TRP 113 -13.279 -21.498 -2.139 940 HB2 TRP 113 1HB TRP 113 -10.954 -21.001 -2.947 941 HB3 TRP 113 2HB TRP 113 -10.378 -21.277 -1.297 942 HD1 TRP 113 HD1 TRP 113 -10.172 -23.774 -0.481 943 HE1 TRP 113 HE1 TRP 113 -10.278 -26.049 -1.588 944 HE3 TRP 113 HE3 TRP 113 -12.223 -22.260 -4.911 945 HZ2 TRP 113 HZ2 TRP 113 -11.091 -27.090 -4.132 946 HZ3 TRP 113 HZ3 TRP 113 -12.662 -23.981 -6.679 947 HH2 TRP 113 HH2 TRP 113 -12.079 -26.376 -6.283 948 H TYR 114 H TYR 114 -13.766 -23.263 -0.855 949 HA TYR 114 HA TYR 114 -12.896 -23.326 1.950 950 HB2 TYR 114 1HB TYR 114 -15.002 -21.761 1.523 951 HB3 TYR 114 2HB TYR 114 -15.877 -23.291 1.496 952 HD1 TYR 114 HD1 TYR 114 -13.687 -21.073 3.558 953 HD2 TYR 114 HD2 TYR 114 -16.288 -24.503 3.573 954 HE1 TYR 114 HE1 TYR 114 -13.725 -21.038 6.052 955 HE2 TYR 114 HE2 TYR 114 -16.321 -24.460 6.069 956 HH TYR 114 HH TYR 114 -15.595 -23.420 7.956 957 H ALA 115 H ALA 115 -12.307 -25.120 -0.085 958 HA ALA 115 HA ALA 115 -13.936 -27.495 0.690 959 HB1 ALA 115 1HB ALA 115 -14.723 -26.754 -1.530 960 HB2 ALA 115 2HB ALA 115 -13.051 -26.779 -2.141 961 HB3 ALA 115 3HB ALA 115 -13.840 -28.294 -1.653 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 1.787 30.995 9.340 2 H2 GLY 1 2H GLY 1 2.133 30.917 7.730 3 H3 GLY 1 3H GLY 1 0.716 31.594 8.236 4 HA2 GLY 1 1HA GLY 1 1.887 33.384 9.316 5 HA3 GLY 1 2HA GLY 1 3.410 32.656 8.773 6 H SER 2 H SER 2 3.353 35.100 7.922 7 HA SER 2 HA SER 2 1.680 35.636 5.675 8 HB2 SER 2 1HB SER 2 2.697 37.391 7.047 9 HB3 SER 2 2HB SER 2 4.312 36.921 6.476 10 HG SER 2 HG SER 2 3.307 38.703 5.321 11 HA PRO 3 HA PRO 3 5.147 34.849 2.712 12 HB2 PRO 3 1HB PRO 3 7.235 33.159 3.222 13 HB3 PRO 3 2HB PRO 3 7.305 34.910 3.599 14 HG2 PRO 3 1HG PRO 3 6.621 32.615 5.421 15 HG3 PRO 3 2HG PRO 3 7.815 33.931 5.665 16 HD2 PRO 3 1HD PRO 3 5.354 34.067 6.743 17 HD3 PRO 3 2HD PRO 3 6.142 35.532 6.060 18 H GLU 4 H GLU 4 4.945 33.228 1.108 19 HA GLU 4 HA GLU 4 2.920 31.332 1.542 20 HB2 GLU 4 1HB GLU 4 5.029 31.563 -0.613 21 HB3 GLU 4 2HB GLU 4 3.784 30.311 -0.630 22 HG2 GLU 4 1HG GLU 4 2.055 32.122 -0.492 23 HG3 GLU 4 2HG GLU 4 3.354 33.304 -0.713 24 H PHE 5 H PHE 5 6.438 30.879 1.739 25 HA PHE 5 HA PHE 5 6.481 28.062 1.741 26 HB2 PHE 5 1HB PHE 5 8.237 29.897 3.407 27 HB3 PHE 5 2HB PHE 5 8.634 28.272 2.832 28 HD1 PHE 5 HD1 PHE 5 8.638 27.947 0.216 29 HD2 PHE 5 HD2 PHE 5 8.902 31.771 2.179 30 HE1 PHE 5 HE1 PHE 5 9.608 28.940 -1.853 31 HE2 PHE 5 HE2 PHE 5 9.865 32.773 0.113 32 HZ PHE 5 HZ PHE 5 10.219 31.359 -1.909 33 H ASN 6 H ASN 6 5.699 30.330 4.357 34 HA ASN 6 HA ASN 6 5.465 28.059 6.262 35 HB2 ASN 6 1HB ASN 6 6.627 30.165 6.938 36 HB3 ASN 6 2HB ASN 6 5.101 31.037 6.727 37 HD21 ASN 6 1HD2 ASN 6 5.546 28.447 9.878 38 HD22 ASN 6 2HD2 ASN 6 6.514 28.244 8.440 39 H ARG 7 H ARG 7 3.530 30.340 4.378 40 HA ARG 7 HA ARG 7 1.037 29.986 5.721 41 HB2 ARG 7 1HB ARG 7 1.593 31.647 3.880 42 HB3 ARG 7 2HB ARG 7 1.457 30.312 2.728 43 HG2 ARG 7 1HG ARG 7 -0.891 30.002 3.291 44 HG3 ARG 7 2HG ARG 7 -0.760 31.192 4.599 45 HD2 ARG 7 1HD ARG 7 -1.780 32.335 2.794 46 HD3 ARG 7 2HD ARG 7 -0.102 32.905 2.853 47 HE ARG 7 HE ARG 7 -0.327 30.699 1.033 48 HH11 ARG 7 1HH1 ARG 7 -1.157 34.125 1.261 49 HH12 ARG 7 2HH1 ARG 7 -1.137 34.341 -0.469 50 HH21 ARG 7 1HH2 ARG 7 -0.342 31.058 -1.184 51 HH22 ARG 7 2HH2 ARG 7 -0.686 32.647 -1.812 52 H TYR 8 H TYR 8 2.682 28.110 3.173 53 HA TYR 8 HA TYR 8 0.471 26.195 3.057 54 HB2 TYR 8 1HB TYR 8 3.219 26.155 1.782 55 HB3 TYR 8 2HB TYR 8 1.903 25.039 1.420 56 HD1 TYR 8 HD1 TYR 8 -0.423 27.045 1.310 57 HD2 TYR 8 HD2 TYR 8 3.564 27.188 -0.309 58 HE1 TYR 8 HE1 TYR 8 -1.205 28.563 -0.494 59 HE2 TYR 8 HE2 TYR 8 2.771 28.712 -2.097 60 HH TYR 8 HH TYR 8 1.073 30.050 -2.810 61 H SER 9 H SER 9 3.301 26.520 5.026 62 HA SER 9 HA SER 9 4.179 23.836 5.006 63 HB2 SER 9 1HB SER 9 5.384 24.312 7.025 64 HB3 SER 9 2HB SER 9 5.472 25.722 5.959 65 HG SER 9 HG SER 9 3.988 25.361 8.329 66 H LYS 10 H LYS 10 1.429 25.254 6.673 67 HA LYS 10 HA LYS 10 1.176 23.239 8.685 68 HB2 LYS 10 1HB LYS 10 -1.311 23.889 8.592 69 HB3 LYS 10 2HB LYS 10 -0.143 25.120 9.075 70 HG2 LYS 10 1HG LYS 10 -0.273 26.211 6.929 71 HG3 LYS 10 2HG LYS 10 -1.241 24.893 6.260 72 HD2 LYS 10 1HD LYS 10 -3.046 25.398 7.878 73 HD3 LYS 10 2HD LYS 10 -2.085 26.759 8.492 74 HE2 LYS 10 1HE LYS 10 -3.714 27.621 6.920 75 HE3 LYS 10 2HE LYS 10 -2.103 27.751 6.186 76 HZ1 LYS 10 1HZ LYS 10 -3.735 26.882 4.632 77 HZ2 LYS 10 2HZ LYS 10 -4.044 25.589 5.618 78 HZ3 LYS 10 3HZ LYS 10 -2.559 25.771 4.913 79 H GLU 11 H GLU 11 -0.501 23.422 5.459 80 HA GLU 11 HA GLU 11 -1.529 20.730 5.954 81 HB2 GLU 11 1HB GLU 11 -1.660 22.419 3.452 82 HB3 GLU 11 2HB GLU 11 -2.556 20.931 3.754 83 HG2 GLU 11 1HG GLU 11 -2.855 23.567 5.232 84 HG3 GLU 11 2HG GLU 11 -4.017 22.844 4.115 85 H HIS 12 H HIS 12 1.198 22.205 4.254 86 HA HIS 12 HA HIS 12 1.851 19.933 2.631 87 HB2 HIS 12 1HB HIS 12 2.903 22.112 2.301 88 HB3 HIS 12 2HB HIS 12 3.600 22.055 3.921 89 HD1 HIS 12 HD1 HIS 12 3.757 19.263 1.242 90 HD2 HIS 12 HD2 HIS 12 6.220 21.837 3.426 91 HE1 HIS 12 HE1 HIS 12 6.132 18.634 0.714 92 H MET 13 H MET 13 2.979 20.877 5.959 93 HA MET 13 HA MET 13 4.475 18.451 6.301 94 HB2 MET 13 1HB MET 13 4.798 20.497 7.678 95 HB3 MET 13 2HB MET 13 3.208 20.242 8.411 96 HG2 MET 13 1HG MET 13 4.958 19.452 9.908 97 HG3 MET 13 2HG MET 13 3.984 18.086 9.337 98 HE1 MET 13 1HE MET 13 7.280 16.131 9.388 99 HE2 MET 13 2HE MET 13 6.501 17.141 10.628 100 HE3 MET 13 3HE MET 13 5.516 16.066 9.607 101 H LYS 14 H LYS 14 1.091 19.363 7.037 102 HA LYS 14 HA LYS 14 0.421 16.983 8.469 103 HB2 LYS 14 1HB LYS 14 -0.959 19.071 8.272 104 HB3 LYS 14 2HB LYS 14 -1.357 18.605 6.616 105 HG2 LYS 14 1HG LYS 14 -2.343 16.468 7.562 106 HG3 LYS 14 2HG LYS 14 -2.136 17.174 9.177 107 HD2 LYS 14 1HD LYS 14 -3.713 18.434 6.895 108 HD3 LYS 14 2HD LYS 14 -4.432 17.503 8.220 109 HE2 LYS 14 1HE LYS 14 -3.617 19.159 9.859 110 HE3 LYS 14 2HE LYS 14 -2.824 20.076 8.557 111 HZ1 LYS 14 1HZ LYS 14 -4.963 20.448 7.552 112 HZ2 LYS 14 2HZ LYS 14 -4.952 21.031 9.090 113 HZ3 LYS 14 3HZ LYS 14 -5.736 19.614 8.756 114 H LYS 15 H LYS 15 0.352 17.751 4.967 115 HA LYS 15 HA LYS 15 -0.735 15.223 4.164 116 HB2 LYS 15 1HB LYS 15 -0.690 17.314 2.792 117 HB3 LYS 15 2HB LYS 15 1.055 17.124 2.589 118 HG2 LYS 15 1HG LYS 15 0.792 15.170 1.285 119 HG3 LYS 15 2HG LYS 15 -0.899 14.981 1.792 120 HD2 LYS 15 1HD LYS 15 -1.580 16.927 0.530 121 HD3 LYS 15 2HD LYS 15 0.103 17.317 0.125 122 HE2 LYS 15 1HE LYS 15 -1.195 16.190 -1.732 123 HE3 LYS 15 2HE LYS 15 0.312 15.390 -1.277 124 HZ1 LYS 15 1HZ LYS 15 -1.341 13.743 -1.519 125 HZ2 LYS 15 2HZ LYS 15 -2.425 14.536 -0.569 126 HZ3 LYS 15 3HZ LYS 15 -1.055 13.856 0.103 127 H MET 16 H MET 16 2.645 16.440 4.389 128 HA MET 16 HA MET 16 3.939 14.104 3.458 129 HB2 MET 16 1HB MET 16 4.741 16.122 5.587 130 HB3 MET 16 2HB MET 16 5.798 14.813 5.063 131 HG2 MET 16 1HG MET 16 5.783 15.701 2.782 132 HG3 MET 16 2HG MET 16 4.722 17.019 3.298 133 HE1 MET 16 1HE MET 16 9.218 16.555 4.154 134 HE2 MET 16 2HE MET 16 8.100 15.225 4.533 135 HE3 MET 16 3HE MET 16 8.282 15.785 2.852 136 H MET 17 H MET 17 2.943 14.993 6.782 137 HA MET 17 HA MET 17 3.946 12.616 8.004 138 HB2 MET 17 1HB MET 17 3.378 14.707 9.182 139 HB3 MET 17 2HB MET 17 1.672 14.466 8.828 140 HG2 MET 17 1HG MET 17 3.245 12.411 10.380 141 HG3 MET 17 2HG MET 17 2.596 13.855 11.171 142 HE1 MET 17 1HE MET 17 -0.281 14.398 9.946 143 HE2 MET 17 2HE MET 17 -1.252 13.360 11.015 144 HE3 MET 17 3HE MET 17 0.097 14.304 11.686 145 H LYS 18 H LYS 18 0.599 13.478 6.976 146 HA LYS 18 HA LYS 18 -0.590 11.005 7.690 147 HB2 LYS 18 1HB LYS 18 -1.816 13.073 7.146 148 HB3 LYS 18 2HB LYS 18 -1.286 12.974 5.474 149 HG2 LYS 18 1HG LYS 18 -2.803 10.626 6.568 150 HG3 LYS 18 2HG LYS 18 -3.708 12.125 6.326 151 HD2 LYS 18 1HD LYS 18 -2.085 10.736 4.143 152 HD3 LYS 18 2HD LYS 18 -3.825 10.546 4.373 153 HE2 LYS 18 1HE LYS 18 -4.151 12.974 3.976 154 HE3 LYS 18 2HE LYS 18 -2.400 13.170 3.743 155 HZ1 LYS 18 1HZ LYS 18 -4.135 11.459 2.066 156 HZ2 LYS 18 2HZ LYS 18 -2.514 11.685 1.859 157 HZ3 LYS 18 3HZ LYS 18 -3.563 12.944 1.637 158 H ASP 19 H ASP 19 0.853 12.031 4.542 159 HA ASP 19 HA ASP 19 0.098 9.479 3.382 160 HB2 ASP 19 1HB ASP 19 1.763 11.784 2.382 161 HB3 ASP 19 2HB ASP 19 1.586 10.273 1.477 162 H LEU 20 H LEU 20 2.897 10.561 5.251 163 HA LEU 20 HA LEU 20 4.403 8.210 4.345 164 HB2 LEU 20 1HB LEU 20 4.893 10.301 6.446 165 HB3 LEU 20 2HB LEU 20 5.789 8.784 6.468 166 HG LEU 20 HG LEU 20 5.770 10.807 4.208 167 HD11 LEU 20 1HD1 LEU 20 8.142 11.070 4.831 168 HD12 LEU 20 2HD1 LEU 20 7.937 9.887 6.140 169 HD13 LEU 20 3HD1 LEU 20 7.076 11.444 6.197 170 HD21 LEU 20 1HD2 LEU 20 7.663 9.231 3.334 171 HD22 LEU 20 2HD2 LEU 20 5.983 8.730 3.067 172 HD23 LEU 20 3HD2 LEU 20 6.939 8.000 4.384 173 H GLU 21 H GLU 21 2.177 8.971 7.000 174 HA GLU 21 HA GLU 21 2.690 6.508 8.440 175 HB2 GLU 21 1HB GLU 21 0.224 8.265 8.172 176 HB3 GLU 21 2HB GLU 21 0.266 6.811 9.177 177 HG2 GLU 21 1HG GLU 21 2.128 7.775 10.488 178 HG3 GLU 21 2HG GLU 21 2.036 9.252 9.521 179 H GLY 22 H GLY 22 0.662 7.532 5.699 180 HA2 GLY 22 1HA GLY 22 -0.564 4.991 5.229 181 HA3 GLY 22 2HA GLY 22 -0.342 6.285 4.034 182 H LEU 23 H LEU 23 2.539 6.417 4.075 183 HA LEU 23 HA LEU 23 3.143 4.289 2.270 184 HB2 LEU 23 1HB LEU 23 4.287 6.633 2.763 185 HB3 LEU 23 2HB LEU 23 5.351 5.657 3.774 186 HG LEU 23 HG LEU 23 4.806 5.120 0.827 187 HD11 LEU 23 1HD1 LEU 23 7.151 6.569 2.092 188 HD12 LEU 23 2HD1 LEU 23 5.842 7.319 1.140 189 HD13 LEU 23 3HD1 LEU 23 6.952 6.170 0.371 190 HD21 LEU 23 1HD2 LEU 23 7.015 3.878 0.984 191 HD22 LEU 23 2HD2 LEU 23 5.679 3.127 1.864 192 HD23 LEU 23 3HD2 LEU 23 6.914 4.046 2.752 193 H HIS 24 H HIS 24 3.744 4.740 5.788 194 HA HIS 24 HA HIS 24 5.192 2.256 6.058 195 HB2 HIS 24 1HB HIS 24 3.631 3.881 8.089 196 HB3 HIS 24 2HB HIS 24 4.595 2.449 8.476 197 HD1 HIS 24 HD1 HIS 24 7.177 2.834 6.943 198 HD2 HIS 24 HD2 HIS 24 5.187 6.000 8.879 199 HE1 HIS 24 HE1 HIS 24 8.907 4.656 7.387 200 H ARG 25 H ARG 25 1.717 3.093 6.168 201 HA ARG 25 HA ARG 25 0.854 0.450 6.914 202 HB2 ARG 25 1HB ARG 25 -0.599 2.546 6.816 203 HB3 ARG 25 2HB ARG 25 -0.616 2.348 5.058 204 HG2 ARG 25 1HG ARG 25 -1.487 -0.037 5.510 205 HG3 ARG 25 2HG ARG 25 -1.802 0.525 7.158 206 HD2 ARG 25 1HD ARG 25 -3.248 2.305 6.266 207 HD3 ARG 25 2HD ARG 25 -2.863 1.788 4.607 208 HE ARG 25 HE ARG 25 -3.877 -0.414 6.146 209 HH11 ARG 25 1HH1 ARG 25 -4.979 2.461 4.428 210 HH12 ARG 25 2HH1 ARG 25 -6.568 1.800 4.148 211 HH21 ARG 25 1HH2 ARG 25 -5.924 -1.189 5.758 212 HH22 ARG 25 2HH2 ARG 25 -7.091 -0.234 4.888 213 H ALA 26 H ALA 26 1.864 1.898 3.791 214 HA ALA 26 HA ALA 26 1.009 -0.358 2.228 215 HB1 ALA 26 1HB ALA 26 3.261 1.586 1.587 216 HB2 ALA 26 2HB ALA 26 2.364 0.560 0.447 217 HB3 ALA 26 3HB ALA 26 1.535 1.895 1.279 218 H GLU 27 H GLU 27 4.121 0.390 3.909 219 HA GLU 27 HA GLU 27 5.527 -1.947 2.961 220 HB2 GLU 27 1HB GLU 27 5.773 -0.384 5.554 221 HB3 GLU 27 2HB GLU 27 6.951 -1.576 4.993 222 HG2 GLU 27 1HG GLU 27 7.547 -0.201 3.091 223 HG3 GLU 27 2HG GLU 27 6.212 0.909 3.399 224 H GLN 28 H GLN 28 3.510 -1.238 5.772 225 HA GLN 28 HA GLN 28 3.590 -3.784 7.005 226 HB2 GLN 28 1HB GLN 28 2.603 -1.646 7.954 227 HB3 GLN 28 2HB GLN 28 1.212 -1.900 6.898 228 HG2 GLN 28 1HG GLN 28 0.819 -4.090 7.993 229 HG3 GLN 28 2HG GLN 28 2.154 -3.746 9.098 230 HE21 GLN 28 1HE2 GLN 28 -0.915 -2.824 10.866 231 HE22 GLN 28 2HE2 GLN 28 -0.168 -4.276 10.239 232 H SER 29 H SER 29 1.554 -2.469 4.317 233 HA SER 29 HA SER 29 0.007 -4.873 4.141 234 HB2 SER 29 1HB SER 29 -0.951 -4.032 2.179 235 HB3 SER 29 2HB SER 29 -0.644 -2.616 3.199 236 HG SER 29 HG SER 29 1.432 -2.527 1.912 237 H LEU 30 H LEU 30 3.179 -4.009 2.683 238 HA LEU 30 HA LEU 30 3.305 -6.226 0.780 239 HB2 LEU 30 1HB LEU 30 5.398 -4.807 2.480 240 HB3 LEU 30 2HB LEU 30 5.771 -6.294 1.668 241 HG LEU 30 HG LEU 30 5.105 -5.076 -0.489 242 HD11 LEU 30 1HD1 LEU 30 5.502 -2.736 -0.602 243 HD12 LEU 30 2HD1 LEU 30 5.855 -2.657 1.135 244 HD13 LEU 30 3HD1 LEU 30 4.216 -3.025 0.574 245 HD21 LEU 30 1HD2 LEU 30 7.362 -5.855 0.144 246 HD22 LEU 30 2HD2 LEU 30 7.616 -4.375 1.098 247 HD23 LEU 30 3HD2 LEU 30 7.454 -4.282 -0.673 248 H HIS 31 H HIS 31 4.405 -5.900 4.261 249 HA HIS 31 HA HIS 31 4.743 -8.795 4.182 250 HB2 HIS 31 1HB HIS 31 5.276 -6.837 6.384 251 HB3 HIS 31 2HB HIS 31 5.649 -8.568 6.443 252 HD1 HIS 31 HD1 HIS 31 6.603 -8.725 3.334 253 HD2 HIS 31 HD2 HIS 31 7.928 -6.031 6.251 254 HE1 HIS 31 HE1 HIS 31 8.885 -7.911 2.618 255 H ASP 32 H ASP 32 2.155 -6.828 5.526 256 HA ASP 32 HA ASP 32 1.206 -9.099 7.068 257 HB2 ASP 32 1HB ASP 32 -0.633 -7.871 7.784 258 HB3 ASP 32 2HB ASP 32 0.690 -6.705 7.727 259 H LEU 33 H LEU 33 0.797 -7.887 3.727 260 HA LEU 33 HA LEU 33 -1.357 -9.774 3.218 261 HB2 LEU 33 1HB LEU 33 0.590 -8.418 1.343 262 HB3 LEU 33 2HB LEU 33 -0.588 -9.601 0.806 263 HG LEU 33 HG LEU 33 -1.371 -7.032 2.211 264 HD11 LEU 33 1HD1 LEU 33 -0.166 -6.672 0.028 265 HD12 LEU 33 2HD1 LEU 33 -1.839 -6.101 0.044 266 HD13 LEU 33 3HD1 LEU 33 -1.435 -7.631 -0.771 267 HD21 LEU 33 1HD2 LEU 33 -3.602 -7.525 1.198 268 HD22 LEU 33 2HD2 LEU 33 -3.094 -8.762 2.361 269 HD23 LEU 33 3HD2 LEU 33 -2.971 -9.084 0.615 270 H GLN 34 H GLN 34 2.252 -9.849 3.066 271 HA GLN 34 HA GLN 34 2.459 -12.506 2.078 272 HB2 GLN 34 1HB GLN 34 4.126 -10.802 3.850 273 HB3 GLN 34 2HB GLN 34 4.327 -12.531 4.091 274 HG2 GLN 34 1HG GLN 34 5.931 -12.170 2.545 275 HG3 GLN 34 2HG GLN 34 4.575 -12.542 1.476 276 HE21 GLN 34 1HE2 GLN 34 4.392 -9.336 0.090 277 HE22 GLN 34 2HE2 GLN 34 3.603 -10.881 0.273 278 H GLU 35 H GLU 35 2.201 -11.463 5.555 279 HA GLU 35 HA GLU 35 1.991 -14.157 6.493 280 HB2 GLU 35 1HB GLU 35 2.595 -12.335 7.986 281 HB3 GLU 35 2HB GLU 35 0.992 -11.597 7.796 282 HG2 GLU 35 1HG GLU 35 -0.083 -13.330 8.982 283 HG3 GLU 35 2HG GLU 35 1.270 -14.443 8.741 284 H ARG 36 H ARG 36 -0.584 -11.805 5.635 285 HA ARG 36 HA ARG 36 -2.750 -13.462 6.522 286 HB2 ARG 36 1HB ARG 36 -2.504 -11.234 4.500 287 HB3 ARG 36 2HB ARG 36 -4.015 -12.109 4.714 288 HG2 ARG 36 1HG ARG 36 -4.377 -11.299 6.850 289 HG3 ARG 36 2HG ARG 36 -2.663 -10.925 7.121 290 HD2 ARG 36 1HD ARG 36 -2.746 -8.954 5.911 291 HD3 ARG 36 2HD ARG 36 -4.125 -9.484 4.930 292 HE ARG 36 HE ARG 36 -5.186 -9.348 7.446 293 HH11 ARG 36 1HH1 ARG 36 -3.360 -6.973 5.550 294 HH12 ARG 36 2HH1 ARG 36 -4.241 -5.637 6.241 295 HH21 ARG 36 1HH2 ARG 36 -6.235 -7.586 8.281 296 HH22 ARG 36 2HH2 ARG 36 -5.806 -5.975 7.779 297 H LEU 37 H LEU 37 -1.074 -13.211 3.354 298 HA LEU 37 HA LEU 37 -2.798 -15.080 2.017 299 HB2 LEU 37 1HB LEU 37 -1.226 -13.617 0.827 300 HB3 LEU 37 2HB LEU 37 0.140 -14.400 1.611 301 HG LEU 37 HG LEU 37 -1.606 -16.252 0.102 302 HD11 LEU 37 1HD1 LEU 37 -1.749 -14.290 -1.331 303 HD12 LEU 37 2HD1 LEU 37 -0.728 -15.536 -2.072 304 HD13 LEU 37 3HD1 LEU 37 0.019 -14.111 -1.305 305 HD21 LEU 37 1HD2 LEU 37 0.637 -17.023 -0.726 306 HD22 LEU 37 2HD2 LEU 37 0.533 -17.000 1.042 307 HD23 LEU 37 3HD2 LEU 37 1.398 -15.705 0.186 308 H HIS 38 H HIS 38 0.287 -15.443 3.850 309 HA HIS 38 HA HIS 38 0.448 -18.254 3.394 310 HB2 HIS 38 1HB HIS 38 1.587 -16.451 5.517 311 HB3 HIS 38 2HB HIS 38 1.755 -18.208 5.637 312 HD1 HIS 38 HD1 HIS 38 2.727 -15.340 3.312 313 HD2 HIS 38 HD2 HIS 38 3.658 -19.337 4.048 314 HE1 HIS 38 HE1 HIS 38 4.759 -15.901 1.899 315 H LYS 39 H LYS 39 -1.190 -16.434 6.051 316 HA LYS 39 HA LYS 39 -2.068 -18.877 7.359 317 HB2 LYS 39 1HB LYS 39 -2.565 -15.965 7.641 318 HB3 LYS 39 2HB LYS 39 -3.910 -17.006 8.112 319 HG2 LYS 39 1HG LYS 39 -2.661 -16.642 10.082 320 HG3 LYS 39 2HG LYS 39 -2.304 -18.300 9.570 321 HD2 LYS 39 1HD LYS 39 -0.183 -17.485 8.535 322 HD3 LYS 39 2HD LYS 39 -0.559 -15.854 9.131 323 HE2 LYS 39 1HE LYS 39 -0.626 -16.777 11.455 324 HE3 LYS 39 2HE LYS 39 -0.117 -18.352 10.802 325 HZ1 LYS 39 1HZ LYS 39 1.875 -17.196 9.935 326 HZ2 LYS 39 2HZ LYS 39 1.789 -17.166 11.580 327 HZ3 LYS 39 3HZ LYS 39 1.420 -15.808 10.717 328 H ALA 40 H ALA 40 -3.505 -16.765 4.875 329 HA ALA 40 HA ALA 40 -6.104 -17.961 4.925 330 HB1 ALA 40 1HB ALA 40 -6.336 -17.021 2.647 331 HB2 ALA 40 2HB ALA 40 -5.655 -15.823 3.768 332 HB3 ALA 40 3HB ALA 40 -4.596 -16.662 2.610 333 H GLN 41 H GLN 41 -3.020 -18.782 3.268 334 HA GLN 41 HA GLN 41 -4.252 -21.023 1.893 335 HB2 GLN 41 1HB GLN 41 -2.011 -19.833 1.397 336 HB3 GLN 41 2HB GLN 41 -1.327 -20.814 2.687 337 HG2 GLN 41 1HG GLN 41 -2.668 -21.864 0.157 338 HG3 GLN 41 2HG GLN 41 -0.925 -21.755 0.431 339 HE21 GLN 41 1HE2 GLN 41 -1.026 -24.431 2.937 340 HE22 GLN 41 2HE2 GLN 41 -0.436 -22.790 2.821 341 H GLU 42 H GLU 42 -2.122 -20.760 4.778 342 HA GLU 42 HA GLU 42 -1.918 -23.405 5.495 343 HB2 GLU 42 1HB GLU 42 -0.735 -21.438 6.435 344 HB3 GLU 42 2HB GLU 42 -2.178 -21.016 7.352 345 HG2 GLU 42 1HG GLU 42 -1.951 -22.987 8.719 346 HG3 GLU 42 2HG GLU 42 -0.642 -23.598 7.688 347 H GLU 43 H GLU 43 -4.559 -21.227 6.565 348 HA GLU 43 HA GLU 43 -5.828 -23.558 7.888 349 HB2 GLU 43 1HB GLU 43 -5.583 -21.228 8.918 350 HB3 GLU 43 2HB GLU 43 -6.789 -20.689 7.757 351 HG2 GLU 43 1HG GLU 43 -8.069 -21.086 9.644 352 HG3 GLU 43 2HG GLU 43 -8.274 -22.596 8.743 353 H HIS 44 H HIS 44 -6.549 -21.170 5.266 354 HA HIS 44 HA HIS 44 -9.156 -22.546 4.933 355 HB2 HIS 44 1HB HIS 44 -8.289 -19.864 3.843 356 HB3 HIS 44 2HB HIS 44 -9.902 -20.562 3.757 357 HD1 HIS 44 HD1 HIS 44 -7.588 -18.752 6.086 358 HD2 HIS 44 HD2 HIS 44 -11.292 -20.649 6.221 359 HE1 HIS 44 HE1 HIS 44 -8.684 -18.068 8.259 360 H ARG 45 H ARG 45 -6.215 -22.121 3.195 361 HA ARG 45 HA ARG 45 -5.647 -22.447 0.986 362 HB2 ARG 45 1HB ARG 45 -5.852 -24.766 0.349 363 HB3 ARG 45 2HB ARG 45 -5.324 -24.558 2.009 364 HG2 ARG 45 1HG ARG 45 -7.409 -25.309 2.914 365 HG3 ARG 45 2HG ARG 45 -8.229 -25.185 1.344 366 HD2 ARG 45 1HD ARG 45 -5.949 -27.069 1.968 367 HD3 ARG 45 2HD ARG 45 -7.675 -27.512 1.904 368 HE ARG 45 HE ARG 45 -7.188 -26.218 -0.496 369 HH11 ARG 45 1HH1 ARG 45 -5.835 -29.081 1.052 370 HH12 ARG 45 2HH1 ARG 45 -5.421 -29.829 -0.468 371 HH21 ARG 45 1HH2 ARG 45 -6.622 -27.202 -2.386 372 HH22 ARG 45 2HH2 ARG 45 -5.861 -28.772 -2.396 373 H THR 46 H THR 46 -7.541 -20.757 0.583 374 HA THR 46 HA THR 46 -9.868 -21.185 -0.731 375 HB THR 46 HB THR 46 -9.053 -18.957 -0.300 376 HG1 THR 46 HG1 THR 46 -9.748 -18.016 -2.103 377 HG21 THR 46 1HG2 THR 46 -6.693 -19.053 -0.491 378 HG22 THR 46 2HG2 THR 46 -7.172 -18.037 -1.861 379 HG23 THR 46 3HG2 THR 46 -6.755 -19.736 -2.134 380 H VAL 47 H VAL 47 -10.672 -21.141 -2.862 381 HA VAL 47 HA VAL 47 -9.555 -23.040 -4.677 382 HB VAL 47 HB VAL 47 -11.175 -22.096 -6.354 383 HG11 VAL 47 1HG1 VAL 47 -12.462 -22.382 -3.623 384 HG12 VAL 47 2HG1 VAL 47 -13.196 -22.702 -5.205 385 HG13 VAL 47 3HG1 VAL 47 -11.889 -23.743 -4.611 386 HG21 VAL 47 1HG2 VAL 47 -11.807 -20.027 -4.179 387 HG22 VAL 47 2HG2 VAL 47 -11.039 -19.691 -5.750 388 HG23 VAL 47 3HG2 VAL 47 -12.716 -20.261 -5.687 389 H GLU 48 H GLU 48 -8.743 -19.732 -4.113 390 HA GLU 48 HA GLU 48 -7.626 -19.289 -6.787 391 HB2 GLU 48 1HB GLU 48 -7.294 -17.717 -4.207 392 HB3 GLU 48 2HB GLU 48 -6.783 -17.198 -5.815 393 HG2 GLU 48 1HG GLU 48 -9.222 -17.427 -6.511 394 HG3 GLU 48 2HG GLU 48 -9.590 -17.521 -4.776 395 H VAL 49 H VAL 49 -6.643 -21.541 -4.852 396 HA VAL 49 HA VAL 49 -4.062 -20.951 -3.943 397 HB VAL 49 HB VAL 49 -5.330 -23.019 -3.401 398 HG11 VAL 49 1HG1 VAL 49 -5.370 -24.938 -4.898 399 HG12 VAL 49 2HG1 VAL 49 -6.151 -23.560 -5.691 400 HG13 VAL 49 3HG1 VAL 49 -4.498 -24.037 -6.152 401 HG21 VAL 49 1HG2 VAL 49 -2.577 -23.609 -4.549 402 HG22 VAL 49 2HG2 VAL 49 -2.898 -22.863 -2.964 403 HG23 VAL 49 3HG2 VAL 49 -3.427 -24.527 -3.283 404 H GLU 50 H GLU 50 -5.093 -21.696 -7.260 405 HA GLU 50 HA GLU 50 -2.440 -22.045 -8.314 406 HB2 GLU 50 1HB GLU 50 -4.965 -21.046 -9.688 407 HB3 GLU 50 2HB GLU 50 -3.498 -21.605 -10.500 408 HG2 GLU 50 1HG GLU 50 -5.375 -23.260 -8.776 409 HG3 GLU 50 2HG GLU 50 -5.182 -23.358 -10.533 410 H LYS 51 H LYS 51 -4.543 -19.194 -7.852 411 HA LYS 51 HA LYS 51 -2.734 -17.334 -9.165 412 HB2 LYS 51 1HB LYS 51 -5.222 -16.943 -8.710 413 HB3 LYS 51 2HB LYS 51 -4.804 -16.757 -7.005 414 HG2 LYS 51 1HG LYS 51 -3.071 -14.966 -8.161 415 HG3 LYS 51 2HG LYS 51 -4.448 -14.858 -9.262 416 HD2 LYS 51 1HD LYS 51 -4.675 -14.615 -6.233 417 HD3 LYS 51 2HD LYS 51 -4.444 -13.225 -7.306 418 HE2 LYS 51 1HE LYS 51 -6.546 -13.779 -8.481 419 HE3 LYS 51 2HE LYS 51 -6.791 -15.158 -7.393 420 HZ1 LYS 51 1HZ LYS 51 -6.648 -12.317 -6.520 421 HZ2 LYS 51 2HZ LYS 51 -6.926 -13.628 -5.541 422 HZ3 LYS 51 3HZ LYS 51 -8.036 -13.220 -6.674 423 H VAL 52 H VAL 52 -3.217 -18.610 -5.911 424 HA VAL 52 HA VAL 52 -1.563 -16.755 -4.514 425 HB VAL 52 HB VAL 52 -2.659 -19.514 -3.897 426 HG11 VAL 52 1HG1 VAL 52 -0.629 -19.502 -2.598 427 HG12 VAL 52 2HG1 VAL 52 -0.957 -17.851 -2.028 428 HG13 VAL 52 3HG1 VAL 52 -1.996 -19.195 -1.510 429 HG21 VAL 52 1HG2 VAL 52 -3.213 -16.792 -2.636 430 HG22 VAL 52 2HG2 VAL 52 -4.187 -17.512 -3.935 431 HG23 VAL 52 3HG2 VAL 52 -4.108 -18.302 -2.351 432 H HIS 53 H HIS 53 -0.591 -19.248 -6.701 433 HA HIS 53 HA HIS 53 1.670 -20.357 -5.697 434 HB2 HIS 53 1HB HIS 53 2.532 -20.619 -7.888 435 HB3 HIS 53 2HB HIS 53 0.772 -20.719 -7.959 436 HD1 HIS 53 HD1 HIS 53 0.170 -17.584 -8.139 437 HD2 HIS 53 HD2 HIS 53 2.990 -19.687 -10.380 438 HE1 HIS 53 HE1 HIS 53 0.561 -16.267 -10.257 439 H LEU 54 H LEU 54 3.177 -19.725 -4.495 440 HA LEU 54 HA LEU 54 3.548 -17.250 -3.605 441 HB2 LEU 54 1HB LEU 54 5.653 -19.409 -3.720 442 HB3 LEU 54 2HB LEU 54 5.735 -17.987 -2.683 443 HG LEU 54 HG LEU 54 3.565 -20.112 -2.541 444 HD11 LEU 54 1HD1 LEU 54 4.711 -20.834 -0.489 445 HD12 LEU 54 2HD1 LEU 54 5.984 -19.622 -0.758 446 HD13 LEU 54 3HD1 LEU 54 5.782 -20.976 -1.898 447 HD21 LEU 54 1HD2 LEU 54 4.208 -17.763 -0.707 448 HD22 LEU 54 2HD2 LEU 54 3.041 -19.053 -0.347 449 HD23 LEU 54 3HD2 LEU 54 2.750 -17.958 -1.710 450 H GLU 55 H GLU 55 5.886 -18.381 -6.154 451 HA GLU 55 HA GLU 55 7.556 -16.125 -5.760 452 HB2 GLU 55 1HB GLU 55 8.173 -18.138 -7.100 453 HB3 GLU 55 2HB GLU 55 7.059 -17.609 -8.365 454 HG2 GLU 55 1HG GLU 55 8.397 -15.455 -8.503 455 HG3 GLU 55 2HG GLU 55 9.575 -16.193 -7.411 456 H LYS 56 H LYS 56 5.254 -16.542 -8.497 457 HA LYS 56 HA LYS 56 5.513 -13.801 -9.311 458 HB2 LYS 56 1HB LYS 56 3.520 -15.984 -9.915 459 HB3 LYS 56 2HB LYS 56 3.253 -14.337 -10.478 460 HG2 LYS 56 1HG LYS 56 4.227 -15.385 -12.308 461 HG3 LYS 56 2HG LYS 56 5.575 -14.498 -11.576 462 HD2 LYS 56 1HD LYS 56 6.356 -16.578 -10.503 463 HD3 LYS 56 2HD LYS 56 4.975 -17.460 -11.187 464 HE2 LYS 56 1HE LYS 56 5.773 -16.955 -13.462 465 HE3 LYS 56 2HE LYS 56 7.138 -16.039 -12.785 466 HZ1 LYS 56 1HZ LYS 56 7.801 -18.284 -13.353 467 HZ2 LYS 56 2HZ LYS 56 6.646 -18.930 -12.368 468 HZ3 LYS 56 3HZ LYS 56 7.902 -18.074 -11.715 469 H LYS 57 H LYS 57 3.119 -15.555 -7.288 470 HA LYS 57 HA LYS 57 1.319 -13.390 -7.085 471 HB2 LYS 57 1HB LYS 57 0.808 -15.661 -6.296 472 HB3 LYS 57 2HB LYS 57 1.987 -15.496 -4.997 473 HG2 LYS 57 1HG LYS 57 -0.286 -15.167 -4.178 474 HG3 LYS 57 2HG LYS 57 0.663 -13.692 -3.979 475 HD2 LYS 57 1HD LYS 57 -0.460 -12.594 -5.762 476 HD3 LYS 57 2HD LYS 57 -1.087 -14.124 -6.404 477 HE2 LYS 57 1HE LYS 57 -2.925 -13.166 -5.376 478 HE3 LYS 57 2HE LYS 57 -2.352 -14.373 -4.224 479 HZ1 LYS 57 1HZ LYS 57 -1.211 -12.412 -3.083 480 HZ2 LYS 57 2HZ LYS 57 -2.856 -12.479 -2.985 481 HZ3 LYS 57 3HZ LYS 57 -2.142 -11.437 -4.043 482 H LEU 58 H LEU 58 3.964 -14.282 -4.768 483 HA LEU 58 HA LEU 58 3.390 -11.972 -3.173 484 HB2 LEU 58 1HB LEU 58 5.952 -13.585 -3.382 485 HB3 LEU 58 2HB LEU 58 5.616 -12.363 -2.158 486 HG LEU 58 HG LEU 58 4.103 -14.980 -2.506 487 HD11 LEU 58 1HD1 LEU 58 5.183 -15.592 -0.384 488 HD12 LEU 58 2HD1 LEU 58 6.057 -14.041 -0.369 489 HD13 LEU 58 3HD1 LEU 58 6.390 -15.246 -1.637 490 HD21 LEU 58 1HD2 LEU 58 3.141 -14.351 -0.244 491 HD22 LEU 58 2HD2 LEU 58 2.533 -13.422 -1.623 492 HD23 LEU 58 3HD2 LEU 58 3.739 -12.707 -0.542 493 H ARG 59 H ARG 59 5.610 -12.505 -5.965 494 HA ARG 59 HA ARG 59 6.906 -9.955 -5.695 495 HB2 ARG 59 1HB ARG 59 6.339 -11.730 -8.075 496 HB3 ARG 59 2HB ARG 59 7.119 -10.156 -8.267 497 HG2 ARG 59 1HG ARG 59 8.969 -10.815 -6.869 498 HG3 ARG 59 2HG ARG 59 8.172 -12.348 -6.466 499 HD2 ARG 59 1HD ARG 59 8.200 -12.966 -8.867 500 HD3 ARG 59 2HD ARG 59 9.100 -11.475 -9.221 501 HE ARG 59 HE ARG 59 10.530 -12.796 -7.211 502 HH11 ARG 59 1HH1 ARG 59 9.620 -13.510 -10.544 503 HH12 ARG 59 2HH1 ARG 59 10.976 -14.587 -10.775 504 HH21 ARG 59 1HH2 ARG 59 12.264 -14.136 -7.610 505 HH22 ARG 59 2HH2 ARG 59 12.429 -14.932 -9.152 506 H ASP 60 H ASP 60 3.927 -10.864 -7.498 507 HA ASP 60 HA ASP 60 3.562 -8.190 -8.531 508 HB2 ASP 60 1HB ASP 60 1.684 -10.557 -8.255 509 HB3 ASP 60 2HB ASP 60 1.262 -9.048 -9.080 510 H GLU 61 H GLU 61 2.417 -9.929 -5.681 511 HA GLU 61 HA GLU 61 0.431 -8.099 -4.779 512 HB2 GLU 61 1HB GLU 61 0.815 -10.403 -4.009 513 HB3 GLU 61 2HB GLU 61 2.354 -9.935 -3.305 514 HG2 GLU 61 1HG GLU 61 1.224 -8.601 -1.646 515 HG3 GLU 61 2HG GLU 61 -0.345 -8.986 -2.399 516 H ILE 62 H ILE 62 3.892 -8.410 -3.718 517 HA ILE 62 HA ILE 62 3.753 -5.907 -2.353 518 HB ILE 62 HB ILE 62 6.083 -6.049 -2.008 519 HG12 ILE 62 1HG1 ILE 62 6.241 -8.247 -4.061 520 HG13 ILE 62 2HG1 ILE 62 6.853 -6.607 -4.246 521 HG21 ILE 62 1HG2 ILE 62 6.158 -8.080 -0.759 522 HG22 ILE 62 2HG2 ILE 62 4.449 -7.617 -0.827 523 HG23 ILE 62 3HG2 ILE 62 5.062 -8.904 -1.889 524 HD11 ILE 62 1HD1 ILE 62 8.269 -7.021 -2.179 525 HD12 ILE 62 2HD1 ILE 62 7.805 -8.731 -2.311 526 HD13 ILE 62 3HD1 ILE 62 8.715 -7.959 -3.631 527 H ASN 63 H ASN 63 4.193 -6.626 -5.753 528 HA ASN 63 HA ASN 63 5.483 -4.048 -6.277 529 HB2 ASN 63 1HB ASN 63 4.327 -6.228 -7.970 530 HB3 ASN 63 2HB ASN 63 4.387 -4.605 -8.657 531 HD21 ASN 63 1HD2 ASN 63 7.567 -6.721 -9.127 532 HD22 ASN 63 2HD2 ASN 63 5.902 -7.246 -9.064 533 H LEU 64 H LEU 64 2.173 -5.323 -6.058 534 HA LEU 64 HA LEU 64 0.908 -2.888 -7.009 535 HB2 LEU 64 1HB LEU 64 -0.200 -5.084 -6.950 536 HB3 LEU 64 2HB LEU 64 -0.064 -5.135 -5.209 537 HG LEU 64 HG LEU 64 -2.322 -4.659 -6.243 538 HD11 LEU 64 1HD1 LEU 64 -1.720 -4.387 -3.823 539 HD12 LEU 64 2HD1 LEU 64 -3.035 -3.343 -4.385 540 HD13 LEU 64 3HD1 LEU 64 -1.418 -2.664 -4.146 541 HD21 LEU 64 1HD2 LEU 64 -2.917 -2.382 -6.785 542 HD22 LEU 64 2HD2 LEU 64 -1.583 -2.891 -7.843 543 HD23 LEU 64 3HD2 LEU 64 -1.266 -1.818 -6.461 544 H ALA 65 H ALA 65 1.749 -4.250 -3.774 545 HA ALA 65 HA ALA 65 0.816 -1.980 -2.296 546 HB1 ALA 65 1HB ALA 65 2.252 -2.810 -0.502 547 HB2 ALA 65 2HB ALA 65 1.409 -4.163 -1.284 548 HB3 ALA 65 3HB ALA 65 3.124 -3.855 -1.648 549 H LYS 66 H LYS 66 3.872 -2.649 -3.980 550 HA LYS 66 HA LYS 66 5.299 -0.306 -3.126 551 HB2 LYS 66 1HB LYS 66 6.347 -2.282 -4.117 552 HB3 LYS 66 2HB LYS 66 5.498 -1.990 -5.625 553 HG2 LYS 66 1HG LYS 66 6.770 0.094 -5.932 554 HG3 LYS 66 2HG LYS 66 7.691 -0.294 -4.450 555 HD2 LYS 66 1HD LYS 66 8.336 -2.463 -5.432 556 HD3 LYS 66 2HD LYS 66 7.381 -2.099 -6.879 557 HE2 LYS 66 1HE LYS 66 8.839 -0.158 -7.344 558 HE3 LYS 66 2HE LYS 66 9.839 -0.600 -5.933 559 HZ1 LYS 66 1HZ LYS 66 10.677 -1.554 -8.033 560 HZ2 LYS 66 2HZ LYS 66 9.268 -2.395 -8.230 561 HZ3 LYS 66 3HZ LYS 66 10.258 -2.736 -6.959 562 H GLN 67 H GLN 67 2.930 -0.869 -5.771 563 HA GLN 67 HA GLN 67 3.401 1.699 -7.020 564 HB2 GLN 67 1HB GLN 67 0.926 -0.070 -6.949 565 HB3 GLN 67 2HB GLN 67 0.997 1.468 -7.804 566 HG2 GLN 67 1HG GLN 67 2.870 0.603 -9.174 567 HG3 GLN 67 2HG GLN 67 2.685 -0.966 -8.388 568 HE21 GLN 67 1HE2 GLN 67 0.679 -0.509 -11.640 569 HE22 GLN 67 2HE2 GLN 67 2.268 0.081 -11.219 570 H GLU 68 H GLU 68 0.972 0.520 -4.568 571 HA GLU 68 HA GLU 68 -0.071 3.059 -3.938 572 HB2 GLU 68 1HB GLU 68 -0.716 0.727 -3.071 573 HB3 GLU 68 2HB GLU 68 0.532 0.956 -1.845 574 HG2 GLU 68 1HG GLU 68 -0.596 3.005 -1.089 575 HG3 GLU 68 2HG GLU 68 -1.832 2.782 -2.328 576 H ALA 69 H ALA 69 2.880 1.489 -2.555 577 HA ALA 69 HA ALA 69 3.512 3.585 -0.753 578 HB1 ALA 69 1HB ALA 69 4.541 1.324 -0.733 579 HB2 ALA 69 2HB ALA 69 5.436 1.733 -2.214 580 HB3 ALA 69 3HB ALA 69 5.760 2.617 -0.710 581 H GLN 70 H GLN 70 4.471 3.222 -4.210 582 HA GLN 70 HA GLN 70 6.256 5.470 -4.234 583 HB2 GLN 70 1HB GLN 70 6.095 3.743 -6.050 584 HB3 GLN 70 2HB GLN 70 4.528 4.425 -6.511 585 HG2 GLN 70 1HG GLN 70 5.653 6.618 -6.950 586 HG3 GLN 70 2HG GLN 70 7.210 5.858 -6.594 587 HE21 GLN 70 1HE2 GLN 70 5.953 5.830 -10.290 588 HE22 GLN 70 2HE2 GLN 70 5.584 7.013 -9.047 589 H ARG 71 H ARG 71 2.756 5.101 -4.820 590 HA ARG 71 HA ARG 71 2.273 7.819 -5.579 591 HB2 ARG 71 1HB ARG 71 0.497 5.807 -4.153 592 HB3 ARG 71 2HB ARG 71 -0.059 7.361 -4.770 593 HG2 ARG 71 1HG ARG 71 0.431 6.689 -7.042 594 HG3 ARG 71 2HG ARG 71 1.131 5.169 -6.497 595 HD2 ARG 71 1HD ARG 71 -0.976 4.352 -5.717 596 HD3 ARG 71 2HD ARG 71 -1.703 5.965 -5.816 597 HE ARG 71 HE ARG 71 -1.598 5.858 -8.246 598 HH11 ARG 71 1HH1 ARG 71 -1.225 2.732 -6.612 599 HH12 ARG 71 2HH1 ARG 71 -1.737 1.845 -8.023 600 HH21 ARG 71 1HH2 ARG 71 -2.253 4.690 -9.951 601 HH22 ARG 71 2HH2 ARG 71 -2.300 2.942 -9.895 602 H LEU 72 H LEU 72 2.346 6.181 -2.364 603 HA LEU 72 HA LEU 72 1.550 8.507 -0.914 604 HB2 LEU 72 1HB LEU 72 2.910 5.937 -0.180 605 HB3 LEU 72 2HB LEU 72 2.521 7.185 1.017 606 HG LEU 72 HG LEU 72 0.381 6.269 -0.901 607 HD11 LEU 72 1HD1 LEU 72 1.123 4.790 1.605 608 HD12 LEU 72 2HD1 LEU 72 1.271 4.188 -0.043 609 HD13 LEU 72 3HD1 LEU 72 -0.330 4.517 0.640 610 HD21 LEU 72 1HD2 LEU 72 0.304 7.190 1.993 611 HD22 LEU 72 2HD2 LEU 72 -1.106 6.796 0.986 612 HD23 LEU 72 3HD2 LEU 72 -0.082 8.182 0.572 613 H LYS 73 H LYS 73 4.700 7.298 -2.009 614 HA LYS 73 HA LYS 73 6.268 9.289 -0.614 615 HB2 LYS 73 1HB LYS 73 7.415 7.399 -1.432 616 HB3 LYS 73 2HB LYS 73 6.686 7.507 -3.018 617 HG2 LYS 73 1HG LYS 73 8.505 9.746 -2.203 618 HG3 LYS 73 2HG LYS 73 9.225 8.166 -2.566 619 HD2 LYS 73 1HD LYS 73 7.960 8.162 -4.757 620 HD3 LYS 73 2HD LYS 73 7.465 9.819 -4.400 621 HE2 LYS 73 1HE LYS 73 10.057 10.203 -4.104 622 HE3 LYS 73 2HE LYS 73 10.144 8.778 -5.171 623 HZ1 LYS 73 1HZ LYS 73 8.823 11.380 -5.682 624 HZ2 LYS 73 2HZ LYS 73 8.475 10.042 -6.594 625 HZ3 LYS 73 3HZ LYS 73 10.009 10.657 -6.574 626 H GLU 74 H GLU 74 4.718 9.253 -3.888 627 HA GLU 74 HA GLU 74 5.797 11.884 -4.516 628 HB2 GLU 74 1HB GLU 74 3.621 10.200 -5.784 629 HB3 GLU 74 2HB GLU 74 4.068 11.815 -6.367 630 HG2 GLU 74 1HG GLU 74 6.445 11.019 -6.564 631 HG3 GLU 74 2HG GLU 74 5.884 9.388 -6.182 632 H LEU 75 H LEU 75 2.856 10.705 -2.967 633 HA LEU 75 HA LEU 75 1.458 13.231 -2.962 634 HB2 LEU 75 1HB LEU 75 1.348 10.657 -1.431 635 HB3 LEU 75 2HB LEU 75 0.569 12.054 -0.749 636 HG LEU 75 HG LEU 75 -1.177 12.016 -2.167 637 HD11 LEU 75 1HD1 LEU 75 0.521 10.687 -4.292 638 HD12 LEU 75 2HD1 LEU 75 -0.076 12.359 -4.281 639 HD13 LEU 75 3HD1 LEU 75 -1.213 11.015 -4.416 640 HD21 LEU 75 1HD2 LEU 75 -0.208 9.148 -2.364 641 HD22 LEU 75 2HD2 LEU 75 -1.879 9.712 -2.526 642 HD23 LEU 75 3HD2 LEU 75 -1.042 9.864 -0.968 643 H ARG 76 H ARG 76 3.789 11.655 -0.750 644 HA ARG 76 HA ARG 76 3.787 13.674 1.285 645 HB2 ARG 76 1HB ARG 76 4.930 11.550 1.636 646 HB3 ARG 76 2HB ARG 76 5.937 11.817 0.227 647 HG2 ARG 76 1HG ARG 76 6.875 13.879 1.493 648 HG3 ARG 76 2HG ARG 76 6.136 13.134 2.920 649 HD2 ARG 76 1HD ARG 76 8.382 12.396 2.840 650 HD3 ARG 76 2HD ARG 76 7.385 11.036 2.311 651 HE ARG 76 HE ARG 76 8.208 12.473 0.008 652 HH11 ARG 76 1HH1 ARG 76 9.596 10.399 2.502 653 HH12 ARG 76 2HH1 ARG 76 10.893 9.858 1.471 654 HH21 ARG 76 1HH2 ARG 76 9.920 11.734 -1.272 655 HH22 ARG 76 2HH2 ARG 76 11.067 10.603 -0.601 656 H GLU 77 H GLU 77 5.386 13.396 -1.876 657 HA GLU 77 HA GLU 77 6.902 15.864 -1.462 658 HB2 GLU 77 1HB GLU 77 6.520 13.983 -3.795 659 HB3 GLU 77 2HB GLU 77 7.497 15.459 -3.908 660 HG2 GLU 77 1HG GLU 77 9.028 14.703 -2.230 661 HG3 GLU 77 2HG GLU 77 7.966 13.386 -1.736 662 H GLY 78 H GLY 78 3.687 15.480 -1.829 663 HA2 GLY 78 1HA GLY 78 3.251 17.684 -3.745 664 HA3 GLY 78 2HA GLY 78 2.013 16.753 -2.876 665 H THR 79 H THR 79 1.415 19.328 -2.756 666 HA THR 79 HA THR 79 2.185 20.110 -0.017 667 HB THR 79 HB THR 79 3.930 21.091 -1.576 668 HG1 THR 79 HG1 THR 79 3.869 22.232 0.203 669 HG21 THR 79 1HG2 THR 79 1.750 23.002 -2.450 670 HG22 THR 79 2HG2 THR 79 2.272 21.623 -3.444 671 HG23 THR 79 3HG2 THR 79 3.424 22.904 -3.017 672 H GLU 80 H GLU 80 1.084 22.545 0.222 673 HA GLU 80 HA GLU 80 -1.668 21.946 0.506 674 HB2 GLU 80 1HB GLU 80 -0.290 23.573 1.807 675 HB3 GLU 80 2HB GLU 80 -0.348 24.680 0.435 676 HG2 GLU 80 1HG GLU 80 -2.712 24.997 0.671 677 HG3 GLU 80 2HG GLU 80 -2.846 23.644 1.805 678 H ASN 81 H ASN 81 -0.035 23.245 -2.307 679 HA ASN 81 HA ASN 81 -2.702 23.400 -3.602 680 HB2 ASN 81 1HB ASN 81 -1.882 25.728 -3.080 681 HB3 ASN 81 2HB ASN 81 -0.497 25.417 -4.139 682 HD21 ASN 81 1HD2 ASN 81 -3.901 26.723 -5.699 683 HD22 ASN 81 2HD2 ASN 81 -3.466 26.796 -4.008 684 H GLU 82 H GLU 82 -2.774 22.052 -5.168 685 HA GLU 82 HA GLU 82 -0.703 20.389 -6.004 686 HB2 GLU 82 1HB GLU 82 -3.187 21.284 -7.523 687 HB3 GLU 82 2HB GLU 82 -2.253 19.844 -7.870 688 HG2 GLU 82 1HG GLU 82 -3.662 20.299 -5.220 689 HG3 GLU 82 2HG GLU 82 -4.434 19.533 -6.611 690 H ARG 83 H ARG 83 -1.968 23.314 -7.586 691 HA ARG 83 HA ARG 83 -1.376 24.471 -9.451 692 HB2 ARG 83 1HB ARG 83 1.454 23.547 -8.833 693 HB3 ARG 83 2HB ARG 83 0.995 24.873 -9.910 694 HG2 ARG 83 1HG ARG 83 -0.152 25.964 -7.939 695 HG3 ARG 83 2HG ARG 83 0.561 24.716 -6.906 696 HD2 ARG 83 1HD ARG 83 2.823 25.457 -7.577 697 HD3 ARG 83 2HD ARG 83 2.094 26.706 -8.615 698 HE ARG 83 HE ARG 83 1.089 26.882 -5.925 699 HH11 ARG 83 1HH1 ARG 83 3.939 27.741 -7.826 700 HH12 ARG 83 2HH1 ARG 83 4.351 29.067 -6.771 701 HH21 ARG 83 1HH2 ARG 83 1.688 28.577 -4.625 702 HH22 ARG 83 2HH2 ARG 83 3.093 29.538 -4.985 703 H SER 84 H SER 84 -0.513 24.344 -11.728 704 HA SER 84 HA SER 84 -1.740 22.191 -12.996 705 HB2 SER 84 1HB SER 84 -1.152 24.377 -14.041 706 HB3 SER 84 2HB SER 84 0.538 23.837 -14.141 707 HG SER 84 HG SER 84 -0.553 21.904 -15.253 708 H ARG 85 H ARG 85 1.610 22.306 -11.865 709 HA ARG 85 HA ARG 85 2.537 20.090 -13.449 710 HB2 ARG 85 1HB ARG 85 3.966 21.789 -12.186 711 HB3 ARG 85 2HB ARG 85 3.524 20.937 -10.700 712 HG2 ARG 85 1HG ARG 85 4.496 18.822 -11.769 713 HG3 ARG 85 2HG ARG 85 5.135 19.872 -13.047 714 HD2 ARG 85 1HD ARG 85 6.266 21.218 -11.229 715 HD3 ARG 85 2HD ARG 85 5.766 19.970 -10.074 716 HE ARG 85 HE ARG 85 7.868 19.794 -12.115 717 HH11 ARG 85 1HH1 ARG 85 5.857 17.889 -9.884 718 HH12 ARG 85 2HH1 ARG 85 7.003 16.574 -9.881 719 HH21 ARG 85 1HH2 ARG 85 9.231 18.052 -12.052 720 HH22 ARG 85 2HH2 ARG 85 8.840 16.652 -11.093 721 H GLN 86 H GLN 86 0.920 20.315 -10.244 722 HA GLN 86 HA GLN 86 1.129 17.333 -10.114 723 HB2 GLN 86 1HB GLN 86 2.287 19.182 -8.413 724 HB3 GLN 86 2HB GLN 86 0.810 18.758 -7.557 725 HG2 GLN 86 1HG GLN 86 2.485 17.272 -6.779 726 HG3 GLN 86 2HG GLN 86 1.450 16.321 -7.853 727 HE21 GLN 86 1HE2 GLN 86 4.478 15.150 -9.193 728 HE22 GLN 86 2HE2 GLN 86 3.100 14.799 -8.185 729 H LYS 87 H LYS 87 -1.000 18.903 -11.327 730 HA LYS 87 HA LYS 87 -3.258 19.273 -9.694 731 HB2 LYS 87 1HB LYS 87 -4.557 19.242 -11.702 732 HB3 LYS 87 2HB LYS 87 -2.990 19.943 -12.107 733 HG2 LYS 87 1HG LYS 87 -3.161 18.528 -13.913 734 HG3 LYS 87 2HG LYS 87 -2.470 17.359 -12.780 735 HD2 LYS 87 1HD LYS 87 -4.904 16.713 -12.190 736 HD3 LYS 87 2HD LYS 87 -5.407 17.675 -13.580 737 HE2 LYS 87 1HE LYS 87 -4.234 16.218 -15.098 738 HE3 LYS 87 2HE LYS 87 -3.358 15.435 -13.771 739 HZ1 LYS 87 1HZ LYS 87 -5.414 14.430 -13.011 740 HZ2 LYS 87 2HZ LYS 87 -5.208 14.069 -14.600 741 HZ3 LYS 87 3HZ LYS 87 -6.296 15.225 -14.156 742 H TYR 88 H TYR 88 -1.744 16.329 -10.414 743 HA TYR 88 HA TYR 88 -4.231 14.777 -10.124 744 HB2 TYR 88 1HB TYR 88 -3.053 12.994 -11.150 745 HB3 TYR 88 2HB TYR 88 -2.644 14.443 -12.070 746 HD1 TYR 88 HD1 TYR 88 -0.309 15.531 -11.687 747 HD2 TYR 88 HD2 TYR 88 -1.393 11.689 -10.070 748 HE1 TYR 88 HE1 TYR 88 2.106 15.002 -11.281 749 HE2 TYR 88 HE2 TYR 88 1.001 11.177 -9.671 750 HH TYR 88 HH TYR 88 3.634 13.356 -10.547 751 H ALA 89 H ALA 89 -1.994 15.932 -7.866 752 HA ALA 89 HA ALA 89 -1.116 13.437 -6.776 753 HB1 ALA 89 1HB ALA 89 -0.337 14.653 -4.903 754 HB2 ALA 89 2HB ALA 89 -0.199 15.778 -6.270 755 HB3 ALA 89 3HB ALA 89 -1.542 15.935 -5.121 756 H GLU 90 H GLU 90 -3.927 15.516 -5.745 757 HA GLU 90 HA GLU 90 -4.764 13.514 -3.807 758 HB2 GLU 90 1HB GLU 90 -6.148 15.876 -5.072 759 HB3 GLU 90 2HB GLU 90 -6.981 14.789 -3.950 760 HG2 GLU 90 1HG GLU 90 -4.432 16.337 -3.316 761 HG3 GLU 90 2HG GLU 90 -6.064 16.801 -2.810 762 H GLU 91 H GLU 91 -5.195 13.810 -7.259 763 HA GLU 91 HA GLU 91 -7.382 11.897 -7.471 764 HB2 GLU 91 1HB GLU 91 -6.745 13.493 -9.295 765 HB3 GLU 91 2HB GLU 91 -5.199 12.672 -9.442 766 HG2 GLU 91 1HG GLU 91 -6.707 10.549 -9.881 767 HG3 GLU 91 2HG GLU 91 -7.891 11.781 -10.347 768 H GLU 92 H GLU 92 -3.821 11.825 -7.319 769 HA GLU 92 HA GLU 92 -3.606 9.007 -7.896 770 HB2 GLU 92 1HB GLU 92 -1.859 10.897 -8.114 771 HB3 GLU 92 2HB GLU 92 -1.582 10.667 -6.401 772 HG2 GLU 92 1HG GLU 92 0.052 9.406 -7.522 773 HG3 GLU 92 2HG GLU 92 -1.142 8.255 -6.905 774 H LEU 93 H LEU 93 -4.383 10.924 -5.086 775 HA LEU 93 HA LEU 93 -3.898 8.793 -3.152 776 HB2 LEU 93 1HB LEU 93 -4.018 11.204 -2.532 777 HB3 LEU 93 2HB LEU 93 -5.719 11.209 -2.972 778 HG LEU 93 HG LEU 93 -6.207 9.588 -1.175 779 HD11 LEU 93 1HD1 LEU 93 -4.560 9.156 0.595 780 HD12 LEU 93 2HD1 LEU 93 -3.309 10.009 -0.339 781 HD13 LEU 93 3HD1 LEU 93 -4.005 8.493 -0.948 782 HD21 LEU 93 1HD2 LEU 93 -6.417 12.022 -0.854 783 HD22 LEU 93 2HD2 LEU 93 -4.739 12.102 -0.307 784 HD23 LEU 93 3HD2 LEU 93 -5.948 11.208 0.654 785 H GLU 94 H GLU 94 -6.600 9.856 -5.253 786 HA GLU 94 HA GLU 94 -8.514 7.962 -4.204 787 HB2 GLU 94 1HB GLU 94 -8.993 9.887 -5.836 788 HB3 GLU 94 2HB GLU 94 -8.315 8.854 -7.094 789 HG2 GLU 94 1HG GLU 94 -10.612 8.492 -7.284 790 HG3 GLU 94 2HG GLU 94 -10.047 7.093 -6.357 791 H GLN 95 H GLN 95 -5.895 7.856 -6.637 792 HA GLN 95 HA GLN 95 -6.406 5.101 -7.349 793 HB2 GLN 95 1HB GLN 95 -3.926 6.793 -7.714 794 HB3 GLN 95 2HB GLN 95 -4.194 5.197 -8.413 795 HG2 GLN 95 1HG GLN 95 -6.211 6.086 -9.596 796 HG3 GLN 95 2HG GLN 95 -5.814 7.698 -8.996 797 HE21 GLN 95 1HE2 GLN 95 -3.814 8.339 -11.763 798 HE22 GLN 95 2HE2 GLN 95 -4.998 8.898 -10.617 799 H VAL 96 H VAL 96 -4.705 6.561 -4.637 800 HA VAL 96 HA VAL 96 -3.255 4.152 -3.849 801 HB VAL 96 HB VAL 96 -4.154 6.665 -2.371 802 HG11 VAL 96 1HG1 VAL 96 -3.008 5.795 -0.309 803 HG12 VAL 96 2HG1 VAL 96 -4.540 4.993 -0.689 804 HG13 VAL 96 3HG1 VAL 96 -3.006 4.189 -1.055 805 HG21 VAL 96 1HG2 VAL 96 -1.769 6.971 -1.989 806 HG22 VAL 96 2HG2 VAL 96 -1.434 5.421 -2.794 807 HG23 VAL 96 3HG2 VAL 96 -2.121 6.781 -3.715 808 H ARG 97 H ARG 97 -6.495 5.573 -3.259 809 HA ARG 97 HA ARG 97 -7.361 3.457 -1.508 810 HB2 ARG 97 1HB ARG 97 -9.033 5.204 -3.343 811 HB3 ARG 97 2HB ARG 97 -9.653 4.222 -2.021 812 HG2 ARG 97 1HG ARG 97 -8.732 5.638 -0.370 813 HG3 ARG 97 2HG ARG 97 -7.564 6.340 -1.496 814 HD2 ARG 97 1HD ARG 97 -9.761 7.092 -2.770 815 HD3 ARG 97 2HD ARG 97 -10.462 6.976 -1.150 816 HE ARG 97 HE ARG 97 -8.102 8.420 -0.836 817 HH11 ARG 97 1HH1 ARG 97 -11.004 8.866 -2.803 818 HH12 ARG 97 2HH1 ARG 97 -10.859 10.603 -2.773 819 HH21 ARG 97 1HH2 ARG 97 -7.986 10.655 -0.868 820 HH22 ARG 97 2HH2 ARG 97 -9.183 11.587 -1.724 821 H GLU 98 H GLU 98 -7.280 3.784 -5.061 822 HA GLU 98 HA GLU 98 -8.794 1.392 -5.611 823 HB2 GLU 98 1HB GLU 98 -6.585 2.759 -7.192 824 HB3 GLU 98 2HB GLU 98 -7.512 1.394 -7.790 825 HG2 GLU 98 1HG GLU 98 -8.654 4.109 -7.059 826 HG3 GLU 98 2HG GLU 98 -8.302 3.541 -8.695 827 H ALA 99 H ALA 99 -5.267 1.994 -5.224 828 HA ALA 99 HA ALA 99 -4.337 -0.658 -5.663 829 HB1 ALA 99 1HB ALA 99 -2.375 0.012 -4.421 830 HB2 ALA 99 2HB ALA 99 -2.897 1.332 -5.495 831 HB3 ALA 99 3HB ALA 99 -3.235 1.415 -3.752 832 H LEU 100 H LEU 100 -5.249 1.010 -2.618 833 HA LEU 100 HA LEU 100 -4.818 -1.227 -0.943 834 HB2 LEU 100 1HB LEU 100 -5.102 1.196 -0.319 835 HB3 LEU 100 2HB LEU 100 -6.831 1.012 -0.537 836 HG LEU 100 HG LEU 100 -6.001 1.034 1.819 837 HD11 LEU 100 1HD1 LEU 100 -7.494 -0.636 2.674 838 HD12 LEU 100 2HD1 LEU 100 -7.414 -1.575 1.179 839 HD13 LEU 100 3HD1 LEU 100 -8.211 0.011 1.187 840 HD21 LEU 100 1HD2 LEU 100 -4.956 -1.762 1.228 841 HD22 LEU 100 2HD2 LEU 100 -4.899 -0.897 2.774 842 HD23 LEU 100 3HD2 LEU 100 -3.934 -0.313 1.400 843 H ARG 101 H ARG 101 -7.825 -0.122 -2.609 844 HA ARG 101 HA ARG 101 -9.465 -2.173 -1.453 845 HB2 ARG 101 1HB ARG 101 -10.109 -0.034 -2.792 846 HB3 ARG 101 2HB ARG 101 -9.960 -1.079 -4.214 847 HG2 ARG 101 1HG ARG 101 -11.577 -2.674 -2.999 848 HG3 ARG 101 2HG ARG 101 -11.835 -1.359 -1.841 849 HD2 ARG 101 1HD ARG 101 -12.465 -1.397 -4.805 850 HD3 ARG 101 2HD ARG 101 -13.599 -1.253 -3.457 851 HE ARG 101 HE ARG 101 -12.766 1.002 -3.049 852 HH11 ARG 101 1HH1 ARG 101 -11.761 -0.383 -6.139 853 HH12 ARG 101 2HH1 ARG 101 -11.399 1.182 -6.834 854 HH21 ARG 101 1HH2 ARG 101 -12.270 2.963 -4.016 855 HH22 ARG 101 2HH2 ARG 101 -11.693 3.011 -5.674 856 H LYS 102 H LYS 102 -7.323 -2.164 -4.311 857 HA LYS 102 HA LYS 102 -8.273 -4.691 -5.338 858 HB2 LYS 102 1HB LYS 102 -6.962 -3.786 -6.955 859 HB3 LYS 102 2HB LYS 102 -6.012 -2.866 -5.800 860 HG2 LYS 102 1HG LYS 102 -4.499 -4.295 -6.922 861 HG3 LYS 102 2HG LYS 102 -4.679 -4.939 -5.298 862 HD2 LYS 102 1HD LYS 102 -6.374 -6.603 -6.324 863 HD3 LYS 102 2HD LYS 102 -5.761 -6.059 -7.900 864 HE2 LYS 102 1HE LYS 102 -3.441 -6.628 -7.148 865 HE3 LYS 102 2HE LYS 102 -4.097 -7.204 -5.606 866 HZ1 LYS 102 1HZ LYS 102 -5.327 -8.902 -6.856 867 HZ2 LYS 102 2HZ LYS 102 -3.706 -9.044 -7.057 868 HZ3 LYS 102 3HZ LYS 102 -4.627 -8.393 -8.264 869 H ALA 103 H ALA 103 -5.694 -3.810 -2.964 870 HA ALA 103 HA ALA 103 -4.873 -6.534 -2.537 871 HB1 ALA 103 1HB ALA 103 -4.729 -4.074 -0.737 872 HB2 ALA 103 2HB ALA 103 -3.918 -5.618 -0.405 873 HB3 ALA 103 3HB ALA 103 -3.465 -4.668 -1.839 874 H GLU 104 H GLU 104 -7.236 -4.433 -0.921 875 HA GLU 104 HA GLU 104 -8.020 -6.162 1.175 876 HB2 GLU 104 1HB GLU 104 -8.490 -3.711 0.805 877 HB3 GLU 104 2HB GLU 104 -9.704 -4.165 -0.382 878 HG2 GLU 104 1HG GLU 104 -11.033 -5.235 1.343 879 HG3 GLU 104 2HG GLU 104 -9.761 -4.910 2.543 880 H LYS 105 H LYS 105 -9.446 -5.747 -2.117 881 HA LYS 105 HA LYS 105 -11.437 -7.778 -1.717 882 HB2 LYS 105 1HB LYS 105 -11.434 -5.996 -3.526 883 HB3 LYS 105 2HB LYS 105 -10.198 -6.953 -4.365 884 HG2 LYS 105 1HG LYS 105 -11.804 -8.894 -4.312 885 HG3 LYS 105 2HG LYS 105 -13.036 -7.792 -3.686 886 HD2 LYS 105 1HD LYS 105 -12.786 -6.409 -5.734 887 HD3 LYS 105 2HD LYS 105 -11.589 -7.573 -6.346 888 HE2 LYS 105 1HE LYS 105 -14.505 -8.156 -5.673 889 HE3 LYS 105 2HE LYS 105 -13.805 -8.053 -7.301 890 HZ1 LYS 105 1HZ LYS 105 -12.430 -9.986 -6.758 891 HZ2 LYS 105 2HZ LYS 105 -14.025 -10.357 -6.554 892 HZ3 LYS 105 3HZ LYS 105 -13.070 -10.069 -5.241 893 H GLU 106 H GLU 106 -8.054 -7.886 -2.813 894 HA GLU 106 HA GLU 106 -8.193 -10.596 -3.772 895 HB2 GLU 106 1HB GLU 106 -6.358 -8.974 -4.301 896 HB3 GLU 106 2HB GLU 106 -5.787 -9.126 -2.638 897 HG2 GLU 106 1HG GLU 106 -4.665 -10.983 -3.121 898 HG3 GLU 106 2HG GLU 106 -6.114 -11.743 -3.804 899 H LEU 107 H LEU 107 -7.463 -9.108 -0.587 900 HA LEU 107 HA LEU 107 -6.834 -11.566 0.745 901 HB2 LEU 107 1HB LEU 107 -6.358 -9.355 1.698 902 HB3 LEU 107 2HB LEU 107 -8.077 -8.992 1.768 903 HG LEU 107 HG LEU 107 -8.419 -10.743 3.455 904 HD11 LEU 107 1HD1 LEU 107 -6.673 -12.322 2.921 905 HD12 LEU 107 2HD1 LEU 107 -6.403 -11.730 4.568 906 HD13 LEU 107 3HD1 LEU 107 -5.411 -11.104 3.226 907 HD21 LEU 107 1HD2 LEU 107 -7.966 -8.437 4.128 908 HD22 LEU 107 2HD2 LEU 107 -6.213 -8.749 4.098 909 HD23 LEU 107 3HD2 LEU 107 -7.253 -9.575 5.287 910 H GLU 108 H GLU 108 -9.926 -9.802 0.283 911 HA GLU 108 HA GLU 108 -11.555 -11.579 1.803 912 HB2 GLU 108 1HB GLU 108 -12.163 -9.921 -0.671 913 HB3 GLU 108 2HB GLU 108 -13.396 -10.812 0.222 914 HG2 GLU 108 1HG GLU 108 -11.642 -8.646 1.423 915 HG3 GLU 108 2HG GLU 108 -13.270 -8.381 0.787 916 H SER 109 H SER 109 -10.588 -11.662 -1.672 917 HA SER 109 HA SER 109 -12.101 -14.041 -2.244 918 HB2 SER 109 1HB SER 109 -10.811 -14.102 -4.313 919 HB3 SER 109 2HB SER 109 -11.360 -12.453 -3.960 920 HG SER 109 HG SER 109 -8.769 -13.561 -3.732 921 H HIS 110 H HIS 110 -8.906 -13.530 -0.841 922 HA HIS 110 HA HIS 110 -8.039 -16.290 -1.230 923 HB2 HIS 110 1HB HIS 110 -7.061 -14.029 0.544 924 HB3 HIS 110 2HB HIS 110 -6.351 -15.642 0.562 925 HD1 HIS 110 HD1 HIS 110 -7.127 -15.175 -2.895 926 HD2 HIS 110 HD2 HIS 110 -4.201 -13.679 -0.314 927 HE1 HIS 110 HE1 HIS 110 -5.197 -14.423 -4.319 928 H SER 111 H SER 111 -10.200 -14.691 0.943 929 HA SER 111 HA SER 111 -9.955 -16.992 2.853 930 HB2 SER 111 1HB SER 111 -11.207 -15.417 4.390 931 HB3 SER 111 2HB SER 111 -9.577 -14.877 3.921 932 HG SER 111 HG SER 111 -10.416 -13.395 2.567 933 H SER 112 H SER 112 -12.017 -15.695 0.415 934 HA SER 112 HA SER 112 -14.551 -16.115 1.551 935 HB2 SER 112 1HB SER 112 -13.651 -16.237 -1.342 936 HB3 SER 112 2HB SER 112 -15.349 -16.236 -0.826 937 HG SER 112 HG SER 112 -13.538 -14.224 0.026 938 H TRP 113 H TRP 113 -12.809 -18.552 -0.538 939 HA TRP 113 HA TRP 113 -14.496 -20.632 0.655 940 HB2 TRP 113 1HB TRP 113 -15.896 -19.421 -1.132 941 HB3 TRP 113 2HB TRP 113 -14.793 -20.123 -2.324 942 HD1 TRP 113 HD1 TRP 113 -15.123 -22.709 -2.876 943 HE1 TRP 113 HE1 TRP 113 -16.823 -24.496 -2.242 944 HE3 TRP 113 HE3 TRP 113 -17.467 -20.149 0.884 945 HZ2 TRP 113 HZ2 TRP 113 -18.936 -24.788 -0.363 946 HZ3 TRP 113 HZ3 TRP 113 -19.363 -21.262 2.087 947 HH2 TRP 113 HH2 TRP 113 -20.083 -23.567 1.453 948 H TYR 114 H TYR 114 -13.868 -22.726 0.241 949 HA TYR 114 HA TYR 114 -11.675 -23.153 -1.742 950 HB2 TYR 114 1HB TYR 114 -10.486 -23.345 0.266 951 HB3 TYR 114 2HB TYR 114 -11.838 -24.107 1.113 952 HD1 TYR 114 HD1 TYR 114 -10.003 -24.874 -2.119 953 HD2 TYR 114 HD2 TYR 114 -11.347 -26.321 1.708 954 HE1 TYR 114 HE1 TYR 114 -9.181 -27.151 -2.688 955 HE2 TYR 114 HE2 TYR 114 -10.494 -28.598 1.134 956 HH TYR 114 HH TYR 114 -9.087 -29.338 -2.062 957 H ALA 115 H ALA 115 -14.058 -24.905 0.355 958 HA ALA 115 HA ALA 115 -15.059 -26.361 -1.992 959 HB1 ALA 115 1HB ALA 115 -13.101 -27.740 -1.267 960 HB2 ALA 115 2HB ALA 115 -13.734 -27.754 0.396 961 HB3 ALA 115 3HB ALA 115 -14.638 -28.569 -0.904 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 10.356 26.755 1.263 2 H2 GLY 1 2H GLY 1 11.861 26.820 0.592 3 H3 GLY 1 3H GLY 1 11.264 25.382 1.139 4 HA2 GLY 1 1HA GLY 1 11.161 25.439 -1.242 5 HA3 GLY 1 2HA GLY 1 9.542 25.395 -0.521 6 H SER 2 H SER 2 8.830 26.306 -2.619 7 HA SER 2 HA SER 2 9.622 28.980 -3.398 8 HB2 SER 2 1HB SER 2 7.657 28.827 -4.880 9 HB3 SER 2 2HB SER 2 8.563 27.302 -4.930 10 HG SER 2 HG SER 2 6.364 26.871 -4.685 11 HA PRO 3 HA PRO 3 7.236 31.371 -0.580 12 HB2 PRO 3 1HB PRO 3 5.634 32.555 -2.852 13 HB3 PRO 3 2HB PRO 3 6.475 33.384 -1.504 14 HG2 PRO 3 1HG PRO 3 7.546 33.408 -3.911 15 HG3 PRO 3 2HG PRO 3 8.578 33.074 -2.482 16 HD2 PRO 3 1HD PRO 3 7.402 31.126 -4.472 17 HD3 PRO 3 2HD PRO 3 9.073 31.213 -3.809 18 H GLU 4 H GLU 4 5.238 29.957 -3.225 19 HA GLU 4 HA GLU 4 2.796 29.887 -1.734 20 HB2 GLU 4 1HB GLU 4 3.837 28.132 -3.991 21 HB3 GLU 4 2HB GLU 4 2.224 27.978 -3.290 22 HG2 GLU 4 1HG GLU 4 1.885 30.435 -3.858 23 HG3 GLU 4 2HG GLU 4 3.347 30.295 -4.854 24 H PHE 5 H PHE 5 5.420 27.459 -2.164 25 HA PHE 5 HA PHE 5 4.207 25.433 -0.577 26 HB2 PHE 5 1HB PHE 5 6.160 25.108 -2.079 27 HB3 PHE 5 2HB PHE 5 7.149 26.070 -0.977 28 HD1 PHE 5 HD1 PHE 5 7.764 25.207 1.270 29 HD2 PHE 5 HD2 PHE 5 5.601 22.801 -1.574 30 HE1 PHE 5 HE1 PHE 5 8.343 23.163 2.565 31 HE2 PHE 5 HE2 PHE 5 6.167 20.753 -0.274 32 HZ PHE 5 HZ PHE 5 7.559 20.934 1.784 33 H ASN 6 H ASN 6 6.231 28.238 0.286 34 HA ASN 6 HA ASN 6 6.576 27.434 3.037 35 HB2 ASN 6 1HB ASN 6 6.704 30.200 1.765 36 HB3 ASN 6 2HB ASN 6 7.263 29.796 3.393 37 HD21 ASN 6 1HD2 ASN 6 10.098 29.804 0.932 38 HD22 ASN 6 2HD2 ASN 6 8.855 30.949 1.374 39 H ARG 7 H ARG 7 4.183 29.466 1.303 40 HA ARG 7 HA ARG 7 2.724 30.313 3.644 41 HB2 ARG 7 1HB ARG 7 2.497 31.255 1.315 42 HB3 ARG 7 2HB ARG 7 1.693 29.760 0.829 43 HG2 ARG 7 1HG ARG 7 -0.106 30.209 2.486 44 HG3 ARG 7 2HG ARG 7 0.683 31.752 2.881 45 HD2 ARG 7 1HD ARG 7 0.465 32.433 0.496 46 HD3 ARG 7 2HD ARG 7 -0.379 30.907 0.157 47 HE ARG 7 HE ARG 7 -1.704 32.223 2.299 48 HH11 ARG 7 1HH1 ARG 7 -1.246 32.624 -1.179 49 HH12 ARG 7 2HH1 ARG 7 -2.737 33.505 -1.367 50 HH21 ARG 7 1HH2 ARG 7 -3.598 33.351 1.977 51 HH22 ARG 7 2HH2 ARG 7 -4.049 33.892 0.384 52 H TYR 8 H TYR 8 2.665 27.445 1.599 53 HA TYR 8 HA TYR 8 0.338 26.299 2.963 54 HB2 TYR 8 1HB TYR 8 2.223 25.230 0.836 55 HB3 TYR 8 2HB TYR 8 0.753 24.434 1.381 56 HD1 TYR 8 HD1 TYR 8 -0.987 27.059 1.568 57 HD2 TYR 8 HD2 TYR 8 1.591 25.457 -1.486 58 HE1 TYR 8 HE1 TYR 8 -2.287 28.265 -0.172 59 HE2 TYR 8 HE2 TYR 8 0.262 26.675 -3.222 60 HH TYR 8 HH TYR 8 -2.620 28.579 -2.420 61 H SER 9 H SER 9 3.276 26.657 4.206 62 HA SER 9 HA SER 9 4.311 24.074 4.650 63 HB2 SER 9 1HB SER 9 5.310 25.112 6.727 64 HB3 SER 9 2HB SER 9 5.614 25.992 5.212 65 HG SER 9 HG SER 9 4.401 27.596 5.860 66 H LYS 10 H LYS 10 1.665 25.742 6.356 67 HA LYS 10 HA LYS 10 1.634 23.972 8.587 68 HB2 LYS 10 1HB LYS 10 -0.073 25.179 9.346 69 HB3 LYS 10 2HB LYS 10 0.365 26.288 8.057 70 HG2 LYS 10 1HG LYS 10 -1.831 24.182 7.763 71 HG3 LYS 10 2HG LYS 10 -2.123 25.789 8.418 72 HD2 LYS 10 1HD LYS 10 -1.443 26.841 6.301 73 HD3 LYS 10 2HD LYS 10 -1.064 25.249 5.613 74 HE2 LYS 10 1HE LYS 10 -3.441 24.555 6.075 75 HE3 LYS 10 2HE LYS 10 -3.795 26.222 6.540 76 HZ1 LYS 10 1HZ LYS 10 -2.809 25.373 3.871 77 HZ2 LYS 10 2HZ LYS 10 -3.268 26.899 4.298 78 HZ3 LYS 10 3HZ LYS 10 -4.382 25.685 4.228 79 H GLU 11 H GLU 11 0.068 23.713 5.398 80 HA GLU 11 HA GLU 11 -1.341 21.302 6.265 81 HB2 GLU 11 1HB GLU 11 -2.023 23.147 4.492 82 HB3 GLU 11 2HB GLU 11 -1.120 22.102 3.392 83 HG2 GLU 11 1HG GLU 11 -3.401 21.425 3.265 84 HG3 GLU 11 2HG GLU 11 -2.571 20.182 4.212 85 H HIS 12 H HIS 12 1.595 22.242 4.529 86 HA HIS 12 HA HIS 12 2.258 19.685 3.463 87 HB2 HIS 12 1HB HIS 12 3.606 21.668 2.937 88 HB3 HIS 12 2HB HIS 12 4.050 21.845 4.630 89 HD1 HIS 12 HD1 HIS 12 4.490 19.170 1.874 90 HD2 HIS 12 HD2 HIS 12 6.371 20.699 5.282 91 HE1 HIS 12 HE1 HIS 12 6.696 17.987 2.094 92 H MET 13 H MET 13 2.847 21.136 6.730 93 HA MET 13 HA MET 13 4.110 18.740 7.722 94 HB2 MET 13 1HB MET 13 2.709 21.022 9.151 95 HB3 MET 13 2HB MET 13 3.573 19.717 9.976 96 HG2 MET 13 1HG MET 13 5.657 20.354 8.838 97 HG3 MET 13 2HG MET 13 4.803 21.646 7.983 98 HE1 MET 13 1HE MET 13 4.825 20.370 11.828 99 HE2 MET 13 2HE MET 13 6.512 20.471 11.267 100 HE3 MET 13 3HE MET 13 5.910 21.613 12.491 101 H LYS 14 H LYS 14 0.710 19.913 7.844 102 HA LYS 14 HA LYS 14 -0.273 17.821 9.512 103 HB2 LYS 14 1HB LYS 14 -1.523 19.908 8.834 104 HB3 LYS 14 2HB LYS 14 -1.749 19.189 7.233 105 HG2 LYS 14 1HG LYS 14 -2.838 17.198 8.491 106 HG3 LYS 14 2HG LYS 14 -2.927 18.292 9.879 107 HD2 LYS 14 1HD LYS 14 -4.079 18.858 7.121 108 HD3 LYS 14 2HD LYS 14 -5.006 18.205 8.481 109 HE2 LYS 14 1HE LYS 14 -4.546 20.242 9.796 110 HE3 LYS 14 2HE LYS 14 -3.590 20.901 8.444 111 HZ1 LYS 14 1HZ LYS 14 -5.544 20.821 7.059 112 HZ2 LYS 14 2HZ LYS 14 -5.856 21.728 8.402 113 HZ3 LYS 14 3HZ LYS 14 -6.460 20.194 8.286 114 H LYS 15 H LYS 15 -0.055 18.016 5.921 115 HA LYS 15 HA LYS 15 -1.122 15.328 5.655 116 HB2 LYS 15 1HB LYS 15 -0.428 17.507 3.886 117 HB3 LYS 15 2HB LYS 15 0.242 15.985 3.299 118 HG2 LYS 15 1HG LYS 15 -2.004 14.942 3.562 119 HG3 LYS 15 2HG LYS 15 -2.662 16.511 4.034 120 HD2 LYS 15 1HD LYS 15 -2.261 17.442 1.884 121 HD3 LYS 15 2HD LYS 15 -1.222 16.094 1.405 122 HE2 LYS 15 1HE LYS 15 -4.187 15.833 2.018 123 HE3 LYS 15 2HE LYS 15 -3.531 16.037 0.397 124 HZ1 LYS 15 1HZ LYS 15 -4.060 13.700 1.075 125 HZ2 LYS 15 2HZ LYS 15 -2.759 13.732 2.107 126 HZ3 LYS 15 3HZ LYS 15 -2.539 13.905 0.490 127 H MET 16 H MET 16 2.158 16.703 5.929 128 HA MET 16 HA MET 16 3.555 14.314 5.190 129 HB2 MET 16 1HB MET 16 4.818 16.345 5.575 130 HB3 MET 16 2HB MET 16 4.177 16.493 7.210 131 HG2 MET 16 1HG MET 16 5.399 14.469 7.897 132 HG3 MET 16 2HG MET 16 6.048 14.314 6.259 133 HE1 MET 16 1HE MET 16 7.220 17.491 9.430 134 HE2 MET 16 2HE MET 16 5.537 17.326 8.876 135 HE3 MET 16 3HE MET 16 6.325 15.984 9.738 136 H MET 17 H MET 17 2.098 15.426 8.298 137 HA MET 17 HA MET 17 2.909 13.113 9.775 138 HB2 MET 17 1HB MET 17 2.047 15.212 10.778 139 HB3 MET 17 2HB MET 17 0.438 14.843 10.157 140 HG2 MET 17 1HG MET 17 0.355 12.805 11.525 141 HG3 MET 17 2HG MET 17 1.979 13.149 12.149 142 HE1 MET 17 1HE MET 17 1.491 16.167 14.516 143 HE2 MET 17 2HE MET 17 2.539 14.821 14.009 144 HE3 MET 17 3HE MET 17 2.188 16.153 12.878 145 H LYS 18 H LYS 18 -0.158 13.809 8.008 146 HA LYS 18 HA LYS 18 -1.435 11.322 8.559 147 HB2 LYS 18 1HB LYS 18 -2.617 13.253 7.547 148 HB3 LYS 18 2HB LYS 18 -1.588 13.150 6.118 149 HG2 LYS 18 1HG LYS 18 -2.566 10.836 5.673 150 HG3 LYS 18 2HG LYS 18 -3.749 11.169 6.946 151 HD2 LYS 18 1HD LYS 18 -4.552 13.138 5.695 152 HD3 LYS 18 2HD LYS 18 -3.310 12.890 4.455 153 HE2 LYS 18 1HE LYS 18 -5.367 10.744 5.093 154 HE3 LYS 18 2HE LYS 18 -5.724 12.054 3.956 155 HZ1 LYS 18 1HZ LYS 18 -3.345 10.332 3.583 156 HZ2 LYS 18 2HZ LYS 18 -4.081 11.284 2.474 157 HZ3 LYS 18 3HZ LYS 18 -4.818 9.905 2.978 158 H ASP 19 H ASP 19 0.539 12.299 5.753 159 HA ASP 19 HA ASP 19 0.099 9.662 4.619 160 HB2 ASP 19 1HB ASP 19 1.257 12.205 3.504 161 HB3 ASP 19 2HB ASP 19 1.089 10.702 2.587 162 H LEU 20 H LEU 20 2.810 11.010 6.373 163 HA LEU 20 HA LEU 20 4.477 8.889 5.133 164 HB2 LEU 20 1HB LEU 20 5.066 10.848 7.351 165 HB3 LEU 20 2HB LEU 20 6.115 9.487 6.955 166 HG LEU 20 HG LEU 20 5.448 11.859 5.187 167 HD11 LEU 20 1HD1 LEU 20 8.028 10.702 6.331 168 HD12 LEU 20 2HD1 LEU 20 7.197 12.176 6.882 169 HD13 LEU 20 3HD1 LEU 20 7.924 12.112 5.261 170 HD21 LEU 20 1HD2 LEU 20 6.790 9.217 4.423 171 HD22 LEU 20 2HD2 LEU 20 7.061 10.715 3.517 172 HD23 LEU 20 3HD2 LEU 20 5.431 10.025 3.602 173 H GLU 21 H GLU 21 2.490 9.448 8.002 174 HA GLU 21 HA GLU 21 3.155 6.917 9.242 175 HB2 GLU 21 1HB GLU 21 1.825 8.871 10.264 176 HB3 GLU 21 2HB GLU 21 0.458 8.330 9.285 177 HG2 GLU 21 1HG GLU 21 0.133 7.385 11.427 178 HG3 GLU 21 2HG GLU 21 0.716 6.058 10.409 179 H GLY 22 H GLY 22 1.001 8.128 6.703 180 HA2 GLY 22 1HA GLY 22 -0.337 5.687 6.105 181 HA3 GLY 22 2HA GLY 22 -0.112 7.056 5.006 182 H LEU 23 H LEU 23 2.796 7.034 4.977 183 HA LEU 23 HA LEU 23 3.223 5.070 2.946 184 HB2 LEU 23 1HB LEU 23 4.465 7.313 3.582 185 HB3 LEU 23 2HB LEU 23 5.535 6.233 4.472 186 HG LEU 23 HG LEU 23 4.870 5.907 1.519 187 HD11 LEU 23 1HD1 LEU 23 7.240 7.334 2.778 188 HD12 LEU 23 2HD1 LEU 23 5.892 8.101 1.900 189 HD13 LEU 23 3HD1 LEU 23 7.003 7.015 1.043 190 HD21 LEU 23 1HD2 LEU 23 7.050 4.657 1.487 191 HD22 LEU 23 2HD2 LEU 23 5.790 3.871 2.450 192 HD23 LEU 23 3HD2 LEU 23 7.092 4.767 3.262 193 H HIS 24 H HIS 24 4.046 5.234 6.456 194 HA HIS 24 HA HIS 24 5.359 2.663 6.523 195 HB2 HIS 24 1HB HIS 24 5.615 4.346 8.303 196 HB3 HIS 24 2HB HIS 24 3.911 4.157 8.735 197 HD1 HIS 24 HD1 HIS 24 6.552 1.377 8.098 198 HD2 HIS 24 HD2 HIS 24 4.002 2.855 11.080 199 HE1 HIS 24 HE1 HIS 24 6.706 -0.195 10.056 200 H ARG 25 H ARG 25 1.936 3.714 6.836 201 HA ARG 25 HA ARG 25 0.965 1.072 7.437 202 HB2 ARG 25 1HB ARG 25 -0.194 3.654 6.660 203 HB3 ARG 25 2HB ARG 25 -1.046 2.294 5.946 204 HG2 ARG 25 1HG ARG 25 -0.614 2.851 8.903 205 HG3 ARG 25 2HG ARG 25 -2.137 2.890 8.003 206 HD2 ARG 25 1HD ARG 25 -0.476 0.476 8.773 207 HD3 ARG 25 2HD ARG 25 -2.134 0.846 9.251 208 HE ARG 25 HE ARG 25 -2.130 0.614 6.449 209 HH11 ARG 25 1HH1 ARG 25 -1.432 -1.546 9.175 210 HH12 ARG 25 2HH1 ARG 25 -1.926 -2.966 8.259 211 HH21 ARG 25 1HH2 ARG 25 -2.682 -1.271 5.384 212 HH22 ARG 25 2HH2 ARG 25 -2.584 -2.815 6.221 213 H ALA 26 H ALA 26 1.988 2.600 4.423 214 HA ALA 26 HA ALA 26 0.791 0.569 2.733 215 HB1 ALA 26 1HB ALA 26 3.163 2.380 2.118 216 HB2 ALA 26 2HB ALA 26 2.147 1.500 0.956 217 HB3 ALA 26 3HB ALA 26 1.454 2.830 1.904 218 H GLU 27 H GLU 27 3.880 0.956 4.496 219 HA GLU 27 HA GLU 27 5.181 -1.371 3.391 220 HB2 GLU 27 1HB GLU 27 6.167 0.486 4.796 221 HB3 GLU 27 2HB GLU 27 5.393 -0.249 6.196 222 HG2 GLU 27 1HG GLU 27 6.744 -2.232 5.969 223 HG3 GLU 27 2HG GLU 27 7.452 -1.604 4.463 224 H GLN 28 H GLN 28 3.095 -0.779 6.192 225 HA GLN 28 HA GLN 28 2.846 -3.522 7.000 226 HB2 GLN 28 1HB GLN 28 1.004 -1.148 7.411 227 HB3 GLN 28 2HB GLN 28 0.794 -2.727 8.169 228 HG2 GLN 28 1HG GLN 28 2.931 -2.488 9.334 229 HG3 GLN 28 2HG GLN 28 3.205 -0.926 8.552 230 HE21 GLN 28 1HE2 GLN 28 1.879 0.447 11.493 231 HE22 GLN 28 2HE2 GLN 28 3.321 0.140 10.553 232 H SER 29 H SER 29 1.473 -1.737 4.283 233 HA SER 29 HA SER 29 -0.709 -3.642 3.986 234 HB2 SER 29 1HB SER 29 -1.357 -2.549 2.059 235 HB3 SER 29 2HB SER 29 -0.648 -1.235 3.012 236 HG SER 29 HG SER 29 1.270 -1.497 1.779 237 H LEU 30 H LEU 30 2.631 -3.277 2.638 238 HA LEU 30 HA LEU 30 2.638 -5.565 0.836 239 HB2 LEU 30 1HB LEU 30 4.774 -4.534 2.774 240 HB3 LEU 30 2HB LEU 30 4.976 -5.949 1.799 241 HG LEU 30 HG LEU 30 4.683 -4.388 -0.215 242 HD11 LEU 30 1HD1 LEU 30 5.459 -2.154 0.028 243 HD12 LEU 30 2HD1 LEU 30 5.644 -2.362 1.780 244 HD13 LEU 30 3HD1 LEU 30 4.031 -2.373 1.046 245 HD21 LEU 30 1HD2 LEU 30 6.740 -5.595 0.480 246 HD22 LEU 30 2HD2 LEU 30 7.131 -4.279 1.609 247 HD23 LEU 30 3HD2 LEU 30 7.132 -3.982 -0.147 248 H HIS 31 H HIS 31 3.386 -5.165 4.368 249 HA HIS 31 HA HIS 31 3.561 -7.998 4.630 250 HB2 HIS 31 1HB HIS 31 3.487 -5.868 6.714 251 HB3 HIS 31 2HB HIS 31 3.799 -7.584 7.026 252 HD1 HIS 31 HD1 HIS 31 5.480 -7.743 4.108 253 HD2 HIS 31 HD2 HIS 31 6.178 -5.319 7.448 254 HE1 HIS 31 HE1 HIS 31 7.909 -7.060 4.040 255 H ASP 32 H ASP 32 0.729 -5.939 5.317 256 HA ASP 32 HA ASP 32 -0.803 -8.033 6.577 257 HB2 ASP 32 1HB ASP 32 -1.571 -5.574 4.953 258 HB3 ASP 32 2HB ASP 32 -2.783 -6.719 5.538 259 H LEU 33 H LEU 33 -0.135 -7.111 3.199 260 HA LEU 33 HA LEU 33 -2.110 -8.862 2.050 261 HB2 LEU 33 1HB LEU 33 0.352 -7.465 1.033 262 HB3 LEU 33 2HB LEU 33 -0.371 -8.724 0.070 263 HG LEU 33 HG LEU 33 -2.128 -7.478 -0.582 264 HD11 LEU 33 1HD1 LEU 33 -3.045 -5.442 0.614 265 HD12 LEU 33 2HD1 LEU 33 -1.970 -5.810 1.965 266 HD13 LEU 33 3HD1 LEU 33 -3.236 -6.958 1.511 267 HD21 LEU 33 1HD2 LEU 33 0.032 -6.370 -1.228 268 HD22 LEU 33 2HD2 LEU 33 -0.198 -5.235 0.111 269 HD23 LEU 33 3HD2 LEU 33 -1.366 -5.280 -1.220 270 H GLN 34 H GLN 34 1.482 -9.277 2.635 271 HA GLN 34 HA GLN 34 1.275 -12.014 1.700 272 HB2 GLN 34 1HB GLN 34 3.338 -12.358 3.330 273 HB3 GLN 34 2HB GLN 34 3.482 -11.713 1.720 274 HG2 GLN 34 1HG GLN 34 3.058 -9.760 3.882 275 HG3 GLN 34 2HG GLN 34 4.573 -10.643 3.920 276 HE21 GLN 34 1HE2 GLN 34 4.240 -8.835 0.285 277 HE22 GLN 34 2HE2 GLN 34 3.123 -10.088 0.766 278 H GLU 35 H GLU 35 0.824 -10.592 4.981 279 HA GLU 35 HA GLU 35 0.742 -13.143 6.297 280 HB2 GLU 35 1HB GLU 35 -0.313 -10.397 6.901 281 HB3 GLU 35 2HB GLU 35 -0.914 -11.759 7.848 282 HG2 GLU 35 1HG GLU 35 2.012 -11.028 7.528 283 HG3 GLU 35 2HG GLU 35 0.998 -10.626 8.927 284 H ARG 36 H ARG 36 -1.866 -11.182 4.756 285 HA ARG 36 HA ARG 36 -3.933 -13.045 5.500 286 HB2 ARG 36 1HB ARG 36 -4.326 -10.699 4.770 287 HB3 ARG 36 2HB ARG 36 -3.865 -11.147 3.126 288 HG2 ARG 36 1HG ARG 36 -5.781 -12.620 2.917 289 HG3 ARG 36 2HG ARG 36 -6.178 -12.432 4.638 290 HD2 ARG 36 1HD ARG 36 -6.707 -10.077 4.313 291 HD3 ARG 36 2HD ARG 36 -6.163 -10.154 2.634 292 HE ARG 36 HE ARG 36 -8.224 -12.079 3.036 293 HH11 ARG 36 1HH1 ARG 36 -7.823 -8.582 2.717 294 HH12 ARG 36 2HH1 ARG 36 -9.434 -8.365 2.083 295 HH21 ARG 36 1HH2 ARG 36 -10.276 -11.707 2.248 296 HH22 ARG 36 2HH2 ARG 36 -10.789 -10.094 1.830 297 H LEU 37 H LEU 37 -1.747 -12.854 2.668 298 HA LEU 37 HA LEU 37 -2.988 -15.029 1.232 299 HB2 LEU 37 1HB LEU 37 -1.427 -13.467 0.188 300 HB3 LEU 37 2HB LEU 37 -0.149 -13.958 1.287 301 HG LEU 37 HG LEU 37 -0.050 -16.175 0.257 302 HD11 LEU 37 1HD1 LEU 37 -1.219 -16.558 -1.921 303 HD12 LEU 37 2HD1 LEU 37 -2.192 -15.105 -1.606 304 HD13 LEU 37 3HD1 LEU 37 -2.314 -16.512 -0.529 305 HD21 LEU 37 1HD2 LEU 37 0.840 -15.374 -1.956 306 HD22 LEU 37 2HD2 LEU 37 1.420 -14.461 -0.548 307 HD23 LEU 37 3HD2 LEU 37 0.156 -13.773 -1.583 308 H HIS 38 H HIS 38 -0.239 -14.900 3.544 309 HA HIS 38 HA HIS 38 0.398 -17.669 3.383 310 HB2 HIS 38 1HB HIS 38 1.707 -15.716 4.500 311 HB3 HIS 38 2HB HIS 38 0.715 -16.065 5.921 312 HD1 HIS 38 HD1 HIS 38 0.785 -19.009 6.311 313 HD2 HIS 38 HD2 HIS 38 4.048 -16.971 4.702 314 HE1 HIS 38 HE1 HIS 38 2.805 -20.490 6.635 315 H LYS 39 H LYS 39 -1.843 -15.839 5.522 316 HA LYS 39 HA LYS 39 -2.620 -18.165 7.025 317 HB2 LYS 39 1HB LYS 39 -3.008 -15.779 7.678 318 HB3 LYS 39 2HB LYS 39 -4.265 -15.679 6.436 319 HG2 LYS 39 1HG LYS 39 -5.543 -17.433 7.561 320 HG3 LYS 39 2HG LYS 39 -4.254 -17.619 8.766 321 HD2 LYS 39 1HD LYS 39 -4.595 -15.275 9.469 322 HD3 LYS 39 2HD LYS 39 -5.933 -15.136 8.301 323 HE2 LYS 39 1HE LYS 39 -7.106 -16.989 9.420 324 HE3 LYS 39 2HE LYS 39 -5.768 -17.158 10.566 325 HZ1 LYS 39 1HZ LYS 39 -6.240 -14.935 11.355 326 HZ2 LYS 39 2HZ LYS 39 -7.569 -15.903 11.500 327 HZ3 LYS 39 3HZ LYS 39 -7.493 -14.781 10.292 328 H ALA 40 H ALA 40 -3.899 -16.702 4.005 329 HA ALA 40 HA ALA 40 -6.161 -18.439 3.811 330 HB1 ALA 40 1HB ALA 40 -6.211 -17.804 1.451 331 HB2 ALA 40 2HB ALA 40 -5.866 -16.372 2.449 332 HB3 ALA 40 3HB ALA 40 -4.554 -17.172 1.551 333 H GLN 41 H GLN 41 -2.756 -18.754 2.544 334 HA GLN 41 HA GLN 41 -3.265 -21.377 1.475 335 HB2 GLN 41 1HB GLN 41 -0.732 -20.134 2.602 336 HB3 GLN 41 2HB GLN 41 -0.783 -21.688 1.763 337 HG2 GLN 41 1HG GLN 41 -1.508 -20.621 -0.291 338 HG3 GLN 41 2HG GLN 41 -1.650 -19.058 0.523 339 HE21 GLN 41 1HE2 GLN 41 1.841 -18.434 0.639 340 HE22 GLN 41 2HE2 GLN 41 0.320 -18.126 1.443 341 H GLU 42 H GLU 42 -1.740 -20.418 4.618 342 HA GLU 42 HA GLU 42 -1.272 -22.982 5.570 343 HB2 GLU 42 1HB GLU 42 -0.491 -20.772 6.513 344 HB3 GLU 42 2HB GLU 42 -2.058 -20.626 7.313 345 HG2 GLU 42 1HG GLU 42 -0.500 -21.483 8.911 346 HG3 GLU 42 2HG GLU 42 -1.580 -22.815 8.472 347 H GLU 43 H GLU 43 -4.297 -21.066 6.082 348 HA GLU 43 HA GLU 43 -5.388 -23.377 7.572 349 HB2 GLU 43 1HB GLU 43 -6.639 -20.781 6.609 350 HB3 GLU 43 2HB GLU 43 -7.456 -21.973 7.617 351 HG2 GLU 43 1HG GLU 43 -5.821 -21.554 9.415 352 HG3 GLU 43 2HG GLU 43 -5.034 -20.330 8.400 353 H HIS 44 H HIS 44 -6.006 -21.671 4.435 354 HA HIS 44 HA HIS 44 -8.052 -23.754 3.924 355 HB2 HIS 44 1HB HIS 44 -7.709 -21.117 2.515 356 HB3 HIS 44 2HB HIS 44 -9.069 -22.238 2.382 357 HD1 HIS 44 HD1 HIS 44 -10.641 -22.521 4.543 358 HD2 HIS 44 HD2 HIS 44 -7.759 -19.460 4.762 359 HE1 HIS 44 HE1 HIS 44 -11.231 -21.055 6.552 360 H ARG 45 H ARG 45 -5.202 -22.435 2.321 361 HA ARG 45 HA ARG 45 -4.449 -22.852 0.121 362 HB2 ARG 45 1HB ARG 45 -3.346 -25.037 0.014 363 HB3 ARG 45 2HB ARG 45 -3.107 -24.244 1.557 364 HG2 ARG 45 1HG ARG 45 -5.233 -25.793 2.208 365 HG3 ARG 45 2HG ARG 45 -4.525 -26.778 0.927 366 HD2 ARG 45 1HD ARG 45 -3.254 -27.607 2.591 367 HD3 ARG 45 2HD ARG 45 -2.304 -26.126 2.382 368 HE ARG 45 HE ARG 45 -3.098 -25.335 4.419 369 HH11 ARG 45 1HH1 ARG 45 -5.176 -28.029 3.446 370 HH12 ARG 45 2HH1 ARG 45 -5.962 -28.092 5.000 371 HH21 ARG 45 1HH2 ARG 45 -4.114 -25.516 6.368 372 HH22 ARG 45 2HH2 ARG 45 -5.384 -26.695 6.607 373 H THR 46 H THR 46 -6.883 -22.465 -0.465 374 HA THR 46 HA THR 46 -8.323 -24.846 -1.306 375 HB THR 46 HB THR 46 -9.530 -23.032 -0.295 376 HG1 THR 46 HG1 THR 46 -11.152 -22.845 -1.735 377 HG21 THR 46 1HG2 THR 46 -8.517 -21.246 -2.532 378 HG22 THR 46 2HG2 THR 46 -8.206 -21.088 -0.792 379 HG23 THR 46 3HG2 THR 46 -9.833 -20.828 -1.425 380 H VAL 47 H VAL 47 -9.201 -22.854 -3.755 381 HA VAL 47 HA VAL 47 -7.896 -24.381 -5.800 382 HB VAL 47 HB VAL 47 -8.692 -22.584 -7.358 383 HG11 VAL 47 1HG1 VAL 47 -11.101 -22.920 -6.948 384 HG12 VAL 47 2HG1 VAL 47 -10.186 -24.423 -6.706 385 HG13 VAL 47 3HG1 VAL 47 -10.748 -23.490 -5.301 386 HG21 VAL 47 1HG2 VAL 47 -10.024 -20.693 -6.493 387 HG22 VAL 47 2HG2 VAL 47 -9.695 -21.191 -4.823 388 HG23 VAL 47 3HG2 VAL 47 -8.370 -20.616 -5.859 389 H GLU 48 H GLU 48 -6.799 -21.938 -3.775 390 HA GLU 48 HA GLU 48 -4.801 -20.590 -5.238 391 HB2 GLU 48 1HB GLU 48 -4.906 -21.534 -2.353 392 HB3 GLU 48 2HB GLU 48 -3.793 -20.312 -2.963 393 HG2 GLU 48 1HG GLU 48 -5.567 -18.788 -3.407 394 HG3 GLU 48 2HG GLU 48 -6.785 -20.031 -3.095 395 H VAL 49 H VAL 49 -4.819 -23.871 -3.748 396 HA VAL 49 HA VAL 49 -1.985 -24.103 -3.611 397 HB VAL 49 HB VAL 49 -3.739 -25.579 -2.480 398 HG11 VAL 49 1HG1 VAL 49 -5.009 -26.170 -4.564 399 HG12 VAL 49 2HG1 VAL 49 -3.628 -27.167 -5.077 400 HG13 VAL 49 3HG1 VAL 49 -4.527 -27.572 -3.597 401 HG21 VAL 49 1HG2 VAL 49 -1.428 -26.991 -3.863 402 HG22 VAL 49 2HG2 VAL 49 -1.321 -26.032 -2.368 403 HG23 VAL 49 3HG2 VAL 49 -2.271 -27.534 -2.393 404 H GLU 50 H GLU 50 -4.147 -24.362 -6.334 405 HA GLU 50 HA GLU 50 -2.025 -25.577 -8.034 406 HB2 GLU 50 1HB GLU 50 -4.848 -24.680 -8.689 407 HB3 GLU 50 2HB GLU 50 -3.793 -25.612 -9.748 408 HG2 GLU 50 1HG GLU 50 -3.903 -27.506 -8.175 409 HG3 GLU 50 2HG GLU 50 -4.967 -26.555 -7.118 410 H LYS 51 H LYS 51 -2.956 -22.485 -7.000 411 HA LYS 51 HA LYS 51 -2.158 -21.260 -9.617 412 HB2 LYS 51 1HB LYS 51 -4.532 -20.481 -7.894 413 HB3 LYS 51 2HB LYS 51 -4.035 -19.666 -9.382 414 HG2 LYS 51 1HG LYS 51 -4.574 -21.625 -10.712 415 HG3 LYS 51 2HG LYS 51 -4.859 -22.577 -9.253 416 HD2 LYS 51 1HD LYS 51 -6.715 -21.000 -8.647 417 HD3 LYS 51 2HD LYS 51 -6.525 -20.263 -10.251 418 HE2 LYS 51 1HE LYS 51 -8.310 -21.936 -10.325 419 HE3 LYS 51 2HE LYS 51 -6.932 -22.509 -11.287 420 HZ1 LYS 51 1HZ LYS 51 -7.875 -24.238 -9.802 421 HZ2 LYS 51 2HZ LYS 51 -7.447 -23.341 -8.484 422 HZ3 LYS 51 3HZ LYS 51 -6.295 -23.949 -9.482 423 H VAL 52 H VAL 52 -1.309 -21.216 -6.369 424 HA VAL 52 HA VAL 52 -1.332 -18.453 -5.784 425 HB VAL 52 HB VAL 52 0.879 -19.056 -4.419 426 HG11 VAL 52 1HG1 VAL 52 -0.519 -19.778 -2.551 427 HG12 VAL 52 2HG1 VAL 52 -1.343 -18.503 -3.465 428 HG13 VAL 52 3HG1 VAL 52 -1.829 -20.197 -3.662 429 HG21 VAL 52 1HG2 VAL 52 -0.302 -21.849 -4.809 430 HG22 VAL 52 2HG2 VAL 52 1.218 -21.288 -5.538 431 HG23 VAL 52 3HG2 VAL 52 1.061 -21.396 -3.776 432 H HIS 53 H HIS 53 1.323 -20.321 -7.338 433 HA HIS 53 HA HIS 53 3.304 -19.568 -8.310 434 HB2 HIS 53 1HB HIS 53 1.509 -17.273 -9.207 435 HB3 HIS 53 2HB HIS 53 3.090 -17.680 -9.881 436 HD1 HIS 53 HD1 HIS 53 -0.516 -18.835 -9.861 437 HD2 HIS 53 HD2 HIS 53 3.138 -19.852 -11.609 438 HE1 HIS 53 HE1 HIS 53 -1.009 -20.495 -11.715 439 H LEU 54 H LEU 54 3.411 -19.216 -5.752 440 HA LEU 54 HA LEU 54 3.004 -16.940 -4.403 441 HB2 LEU 54 1HB LEU 54 3.847 -19.130 -3.560 442 HB3 LEU 54 2HB LEU 54 5.468 -18.670 -4.075 443 HG LEU 54 HG LEU 54 5.412 -16.768 -2.470 444 HD11 LEU 54 1HD1 LEU 54 2.760 -18.011 -1.617 445 HD12 LEU 54 2HD1 LEU 54 3.013 -16.373 -2.270 446 HD13 LEU 54 3HD1 LEU 54 3.664 -16.797 -0.679 447 HD21 LEU 54 1HD2 LEU 54 4.836 -19.500 -1.263 448 HD22 LEU 54 2HD2 LEU 54 5.686 -18.157 -0.464 449 HD23 LEU 54 3HD2 LEU 54 6.410 -18.943 -1.882 450 H GLU 55 H GLU 55 6.074 -17.384 -6.279 451 HA GLU 55 HA GLU 55 7.250 -14.987 -5.232 452 HB2 GLU 55 1HB GLU 55 7.667 -16.215 -7.993 453 HB3 GLU 55 2HB GLU 55 8.732 -15.082 -7.175 454 HG2 GLU 55 1HG GLU 55 9.810 -17.105 -6.853 455 HG3 GLU 55 2HG GLU 55 8.941 -16.880 -5.327 456 H LYS 56 H LYS 56 5.359 -15.633 -8.190 457 HA LYS 56 HA LYS 56 5.401 -12.944 -9.207 458 HB2 LYS 56 1HB LYS 56 3.746 -15.413 -9.623 459 HB3 LYS 56 2HB LYS 56 3.053 -13.887 -10.154 460 HG2 LYS 56 1HG LYS 56 5.832 -14.657 -11.028 461 HG3 LYS 56 2HG LYS 56 4.402 -15.355 -11.818 462 HD2 LYS 56 1HD LYS 56 3.530 -13.026 -12.173 463 HD3 LYS 56 2HD LYS 56 5.084 -12.402 -11.582 464 HE2 LYS 56 1HE LYS 56 6.260 -13.578 -13.397 465 HE3 LYS 56 2HE LYS 56 4.728 -14.293 -13.946 466 HZ1 LYS 56 1HZ LYS 56 5.305 -12.342 -15.251 467 HZ2 LYS 56 2HZ LYS 56 5.331 -11.389 -13.904 468 HZ3 LYS 56 3HZ LYS 56 3.914 -12.063 -14.408 469 H LYS 57 H LYS 57 3.157 -14.739 -7.103 470 HA LYS 57 HA LYS 57 1.159 -12.742 -6.905 471 HB2 LYS 57 1HB LYS 57 1.519 -15.267 -5.981 472 HB3 LYS 57 2HB LYS 57 1.784 -14.384 -4.486 473 HG2 LYS 57 1HG LYS 57 -0.679 -14.193 -6.242 474 HG3 LYS 57 2HG LYS 57 -0.527 -15.125 -4.743 475 HD2 LYS 57 1HD LYS 57 0.084 -12.914 -3.605 476 HD3 LYS 57 2HD LYS 57 -0.507 -12.114 -5.079 477 HE2 LYS 57 1HE LYS 57 -2.647 -13.257 -4.843 478 HE3 LYS 57 2HE LYS 57 -2.051 -14.095 -3.406 479 HZ1 LYS 57 1HZ LYS 57 -2.647 -11.235 -3.710 480 HZ2 LYS 57 2HZ LYS 57 -1.742 -11.791 -2.444 481 HZ3 LYS 57 3HZ LYS 57 -3.310 -12.307 -2.639 482 H LEU 58 H LEU 58 3.848 -13.450 -4.623 483 HA LEU 58 HA LEU 58 3.308 -11.266 -2.889 484 HB2 LEU 58 1HB LEU 58 5.916 -12.672 -3.571 485 HB3 LEU 58 2HB LEU 58 5.748 -11.501 -2.269 486 HG LEU 58 HG LEU 58 4.239 -14.132 -2.382 487 HD11 LEU 58 1HD1 LEU 58 6.664 -14.504 -2.243 488 HD12 LEU 58 2HD1 LEU 58 5.880 -14.896 -0.700 489 HD13 LEU 58 3HD1 LEU 58 6.774 -13.367 -0.874 490 HD21 LEU 58 1HD2 LEU 58 3.121 -12.485 -1.003 491 HD22 LEU 58 2HD2 LEU 58 4.647 -12.101 -0.175 492 HD23 LEU 58 3HD2 LEU 58 3.897 -13.701 0.027 493 H ARG 59 H ARG 59 5.506 -11.551 -5.724 494 HA ARG 59 HA ARG 59 6.520 -8.893 -5.371 495 HB2 ARG 59 1HB ARG 59 6.468 -10.731 -7.769 496 HB3 ARG 59 2HB ARG 59 7.269 -9.148 -7.777 497 HG2 ARG 59 1HG ARG 59 8.832 -9.799 -6.095 498 HG3 ARG 59 2HG ARG 59 7.883 -11.225 -5.659 499 HD2 ARG 59 1HD ARG 59 8.336 -12.117 -7.986 500 HD3 ARG 59 2HD ARG 59 9.540 -10.816 -8.153 501 HE ARG 59 HE ARG 59 10.035 -12.106 -5.697 502 HH11 ARG 59 1HH1 ARG 59 10.159 -13.004 -9.106 503 HH12 ARG 59 2HH1 ARG 59 11.373 -14.225 -8.836 504 HH21 ARG 59 1HH2 ARG 59 11.578 -13.678 -5.428 505 HH22 ARG 59 2HH2 ARG 59 12.161 -14.595 -6.788 506 H ASP 60 H ASP 60 3.597 -10.058 -7.072 507 HA ASP 60 HA ASP 60 3.221 -7.480 -8.371 508 HB2 ASP 60 1HB ASP 60 2.265 -9.694 -9.149 509 HB3 ASP 60 2HB ASP 60 1.088 -9.563 -7.832 510 H GLU 61 H GLU 61 1.786 -9.064 -5.442 511 HA GLU 61 HA GLU 61 0.016 -6.870 -4.941 512 HB2 GLU 61 1HB GLU 61 -0.420 -7.869 -2.806 513 HB3 GLU 61 2HB GLU 61 -0.245 -9.154 -3.997 514 HG2 GLU 61 1HG GLU 61 2.110 -9.464 -3.194 515 HG3 GLU 61 2HG GLU 61 1.776 -8.322 -1.898 516 H ILE 62 H ILE 62 3.376 -7.524 -3.714 517 HA ILE 62 HA ILE 62 3.346 -4.992 -2.352 518 HB ILE 62 HB ILE 62 5.573 -5.293 -1.800 519 HG12 ILE 62 1HG1 ILE 62 5.787 -7.377 -3.950 520 HG13 ILE 62 2HG1 ILE 62 6.602 -5.819 -3.871 521 HG21 ILE 62 1HG2 ILE 62 5.406 -7.329 -0.548 522 HG22 ILE 62 2HG2 ILE 62 3.735 -6.797 -0.798 523 HG23 ILE 62 3HG2 ILE 62 4.403 -8.107 -1.790 524 HD11 ILE 62 1HD1 ILE 62 7.027 -8.239 -2.102 525 HD12 ILE 62 2HD1 ILE 62 8.207 -7.419 -3.156 526 HD13 ILE 62 3HD1 ILE 62 7.621 -6.621 -1.667 527 H ASN 63 H ASN 63 3.833 -5.747 -5.721 528 HA ASN 63 HA ASN 63 5.373 -3.306 -6.256 529 HB2 ASN 63 1HB ASN 63 4.155 -5.441 -7.875 530 HB3 ASN 63 2HB ASN 63 3.898 -3.842 -8.565 531 HD21 ASN 63 1HD2 ASN 63 7.534 -5.575 -8.713 532 HD22 ASN 63 2HD2 ASN 63 6.161 -6.334 -7.925 533 H LEU 64 H LEU 64 1.989 -4.321 -6.059 534 HA LEU 64 HA LEU 64 0.848 -1.781 -6.852 535 HB2 LEU 64 1HB LEU 64 -0.396 -3.896 -6.856 536 HB3 LEU 64 2HB LEU 64 -0.151 -4.052 -5.129 537 HG LEU 64 HG LEU 64 -1.457 -1.779 -4.988 538 HD11 LEU 64 1HD1 LEU 64 -3.259 -1.692 -6.687 539 HD12 LEU 64 2HD1 LEU 64 -2.437 -2.965 -7.615 540 HD13 LEU 64 3HD1 LEU 64 -1.663 -1.381 -7.397 541 HD21 LEU 64 1HD2 LEU 64 -2.472 -4.583 -5.441 542 HD22 LEU 64 2HD2 LEU 64 -3.489 -3.262 -4.843 543 HD23 LEU 64 3HD2 LEU 64 -2.082 -3.772 -3.909 544 H ALA 65 H ALA 65 1.706 -3.295 -3.675 545 HA ALA 65 HA ALA 65 0.890 -1.056 -2.090 546 HB1 ALA 65 1HB ALA 65 2.343 -1.962 -0.380 547 HB2 ALA 65 2HB ALA 65 1.500 -3.294 -1.197 548 HB3 ALA 65 3HB ALA 65 3.207 -2.951 -1.577 549 H LYS 66 H LYS 66 3.867 -1.701 -3.945 550 HA LYS 66 HA LYS 66 5.331 0.591 -3.023 551 HB2 LYS 66 1HB LYS 66 6.877 -0.507 -4.209 552 HB3 LYS 66 2HB LYS 66 5.645 -1.487 -4.986 553 HG2 LYS 66 1HG LYS 66 5.310 0.352 -6.668 554 HG3 LYS 66 2HG LYS 66 6.713 1.179 -5.962 555 HD2 LYS 66 1HD LYS 66 8.145 -0.670 -6.557 556 HD3 LYS 66 2HD LYS 66 6.739 -1.648 -7.034 557 HE2 LYS 66 1HE LYS 66 6.179 0.093 -8.754 558 HE3 LYS 66 2HE LYS 66 7.721 0.895 -8.375 559 HZ1 LYS 66 1HZ LYS 66 7.414 -1.895 -9.333 560 HZ2 LYS 66 2HZ LYS 66 8.851 -1.142 -9.022 561 HZ3 LYS 66 3HZ LYS 66 7.898 -0.617 -10.263 562 H GLN 67 H GLN 67 2.748 0.208 -5.447 563 HA GLN 67 HA GLN 67 3.172 2.829 -6.619 564 HB2 GLN 67 1HB GLN 67 1.878 0.949 -7.700 565 HB3 GLN 67 2HB GLN 67 0.596 1.217 -6.516 566 HG2 GLN 67 1HG GLN 67 0.314 3.526 -7.331 567 HG3 GLN 67 2HG GLN 67 1.584 3.251 -8.532 568 HE21 GLN 67 1HE2 GLN 67 -2.094 2.494 -9.591 569 HE22 GLN 67 2HE2 GLN 67 -1.538 3.667 -8.411 570 H GLU 68 H GLU 68 0.946 1.471 -4.105 571 HA GLU 68 HA GLU 68 -0.198 3.913 -3.253 572 HB2 GLU 68 1HB GLU 68 -0.747 1.589 -2.488 573 HB3 GLU 68 2HB GLU 68 0.717 1.579 -1.523 574 HG2 GLU 68 1HG GLU 68 -0.100 3.411 -0.182 575 HG3 GLU 68 2HG GLU 68 -1.548 3.509 -1.187 576 H ALA 69 H ALA 69 2.832 2.348 -2.055 577 HA ALA 69 HA ALA 69 3.574 4.418 -0.273 578 HB1 ALA 69 1HB ALA 69 4.585 2.161 -0.307 579 HB2 ALA 69 2HB ALA 69 5.393 2.550 -1.844 580 HB3 ALA 69 3HB ALA 69 5.820 3.440 -0.363 581 H GLN 70 H GLN 70 4.247 4.098 -3.771 582 HA GLN 70 HA GLN 70 6.065 6.305 -3.950 583 HB2 GLN 70 1HB GLN 70 5.826 4.618 -5.715 584 HB3 GLN 70 2HB GLN 70 4.163 5.121 -6.002 585 HG2 GLN 70 1HG GLN 70 5.604 6.000 -7.741 586 HG3 GLN 70 2HG GLN 70 4.932 7.322 -6.787 587 HE21 GLN 70 1HE2 GLN 70 8.159 8.641 -6.781 588 HE22 GLN 70 2HE2 GLN 70 6.506 8.766 -7.361 589 H ARG 71 H ARG 71 2.476 6.093 -4.112 590 HA ARG 71 HA ARG 71 2.222 8.893 -4.816 591 HB2 ARG 71 1HB ARG 71 0.417 6.675 -4.113 592 HB3 ARG 71 2HB ARG 71 -0.138 8.253 -3.531 593 HG2 ARG 71 1HG ARG 71 0.764 7.810 -6.383 594 HG3 ARG 71 2HG ARG 71 -0.903 7.536 -5.865 595 HD2 ARG 71 1HD ARG 71 -1.229 9.827 -5.294 596 HD3 ARG 71 2HD ARG 71 0.501 10.177 -5.343 597 HE ARG 71 HE ARG 71 -1.348 9.936 -7.635 598 HH11 ARG 71 1HH1 ARG 71 2.009 10.319 -6.598 599 HH12 ARG 71 2HH1 ARG 71 2.535 10.890 -8.161 600 HH21 ARG 71 1HH2 ARG 71 -0.638 10.625 -9.574 601 HH22 ARG 71 2HH2 ARG 71 1.053 11.039 -9.826 602 H LEU 72 H LEU 72 2.282 7.113 -1.702 603 HA LEU 72 HA LEU 72 1.673 9.398 -0.093 604 HB2 LEU 72 1HB LEU 72 3.115 6.820 0.441 605 HB3 LEU 72 2HB LEU 72 2.750 8.014 1.704 606 HG LEU 72 HG LEU 72 0.527 7.119 -0.131 607 HD11 LEU 72 1HD1 LEU 72 1.388 5.523 2.259 608 HD12 LEU 72 2HD1 LEU 72 1.585 5.030 0.574 609 HD13 LEU 72 3HD1 LEU 72 -0.033 5.243 1.258 610 HD21 LEU 72 1HD2 LEU 72 -0.865 7.491 1.828 611 HD22 LEU 72 2HD2 LEU 72 0.137 8.912 1.516 612 HD23 LEU 72 3HD2 LEU 72 0.574 7.795 2.823 613 H LYS 73 H LYS 73 4.674 8.063 -1.429 614 HA LYS 73 HA LYS 73 6.483 9.918 -0.191 615 HB2 LYS 73 1HB LYS 73 7.092 7.761 -1.303 616 HB3 LYS 73 2HB LYS 73 6.703 8.494 -2.857 617 HG2 LYS 73 1HG LYS 73 8.480 10.292 -2.182 618 HG3 LYS 73 2HG LYS 73 9.036 9.049 -1.045 619 HD2 LYS 73 1HD LYS 73 8.665 8.690 -4.046 620 HD3 LYS 73 2HD LYS 73 10.218 8.975 -3.241 621 HE2 LYS 73 1HE LYS 73 9.979 6.860 -1.991 622 HE3 LYS 73 2HE LYS 73 8.390 6.581 -2.740 623 HZ1 LYS 73 1HZ LYS 73 9.405 6.424 -4.865 624 HZ2 LYS 73 2HZ LYS 73 10.212 5.400 -3.851 625 HZ3 LYS 73 3HZ LYS 73 10.895 6.841 -4.278 626 H GLU 74 H GLU 74 4.897 9.990 -3.453 627 HA GLU 74 HA GLU 74 6.159 12.476 -4.181 628 HB2 GLU 74 1HB GLU 74 3.829 10.882 -5.197 629 HB3 GLU 74 2HB GLU 74 3.993 12.567 -5.707 630 HG2 GLU 74 1HG GLU 74 6.259 12.129 -6.524 631 HG3 GLU 74 2HG GLU 74 6.119 10.443 -6.007 632 H LEU 75 H LEU 75 3.217 11.665 -2.375 633 HA LEU 75 HA LEU 75 2.173 14.337 -2.324 634 HB2 LEU 75 1HB LEU 75 0.940 12.257 -1.698 635 HB3 LEU 75 2HB LEU 75 1.926 12.117 -0.258 636 HG LEU 75 HG LEU 75 -0.367 12.960 0.124 637 HD11 LEU 75 1HD1 LEU 75 1.693 13.558 1.585 638 HD12 LEU 75 2HD1 LEU 75 0.190 14.449 1.804 639 HD13 LEU 75 3HD1 LEU 75 1.513 15.188 0.897 640 HD21 LEU 75 1HD2 LEU 75 0.559 15.523 -1.214 641 HD22 LEU 75 2HD2 LEU 75 -1.052 15.136 -0.577 642 HD23 LEU 75 3HD2 LEU 75 -0.453 14.290 -2.005 643 H ARG 76 H ARG 76 4.439 12.502 -0.212 644 HA ARG 76 HA ARG 76 4.839 14.614 1.670 645 HB2 ARG 76 1HB ARG 76 5.572 12.365 2.142 646 HB3 ARG 76 2HB ARG 76 6.655 12.360 0.755 647 HG2 ARG 76 1HG ARG 76 7.907 12.614 2.830 648 HG3 ARG 76 2HG ARG 76 8.086 14.034 1.797 649 HD2 ARG 76 1HD ARG 76 6.365 15.222 3.133 650 HD3 ARG 76 2HD ARG 76 6.199 13.798 4.167 651 HE ARG 76 HE ARG 76 8.149 14.376 5.259 652 HH11 ARG 76 1HH1 ARG 76 8.003 16.276 2.274 653 HH12 ARG 76 2HH1 ARG 76 9.341 17.288 2.765 654 HH21 ARG 76 1HH2 ARG 76 9.827 15.706 5.797 655 HH22 ARG 76 2HH2 ARG 76 10.362 16.956 4.709 656 H GLU 77 H GLU 77 6.182 14.126 -1.566 657 HA GLU 77 HA GLU 77 8.173 16.255 -1.253 658 HB2 GLU 77 1HB GLU 77 7.125 14.742 -3.667 659 HB3 GLU 77 2HB GLU 77 8.408 15.956 -3.739 660 HG2 GLU 77 1HG GLU 77 9.801 14.610 -2.223 661 HG3 GLU 77 2HG GLU 77 8.523 13.400 -2.094 662 H GLY 78 H GLY 78 4.831 16.259 -1.527 663 HA2 GLY 78 1HA GLY 78 4.814 18.939 -2.859 664 HA3 GLY 78 2HA GLY 78 3.502 17.759 -2.949 665 H THR 79 H THR 79 2.084 19.404 -2.230 666 HA THR 79 HA THR 79 1.632 19.406 0.626 667 HB THR 79 HB THR 79 3.415 21.191 0.539 668 HG1 THR 79 HG1 THR 79 2.231 22.630 1.742 669 HG21 THR 79 1HG2 THR 79 3.153 23.237 -0.624 670 HG22 THR 79 2HG2 THR 79 1.482 22.867 -1.085 671 HG23 THR 79 3HG2 THR 79 2.834 21.973 -1.830 672 H GLU 80 H GLU 80 -0.206 21.539 0.654 673 HA GLU 80 HA GLU 80 -2.425 20.501 -0.831 674 HB2 GLU 80 1HB GLU 80 -3.652 22.350 0.101 675 HB3 GLU 80 2HB GLU 80 -2.505 21.782 1.317 676 HG2 GLU 80 1HG GLU 80 -0.950 23.624 0.539 677 HG3 GLU 80 2HG GLU 80 -2.294 24.271 -0.398 678 H ASN 81 H ASN 81 0.124 22.015 -2.198 679 HA ASN 81 HA ASN 81 -1.322 23.842 -3.975 680 HB2 ASN 81 1HB ASN 81 1.065 24.228 -3.264 681 HB3 ASN 81 2HB ASN 81 1.532 22.803 -4.195 682 HD21 ASN 81 1HD2 ASN 81 1.795 26.107 -6.101 683 HD22 ASN 81 2HD2 ASN 81 2.233 25.662 -4.473 684 H GLU 82 H GLU 82 -2.864 22.360 -4.788 685 HA GLU 82 HA GLU 82 -1.867 20.127 -6.397 686 HB2 GLU 82 1HB GLU 82 -4.004 20.274 -4.923 687 HB3 GLU 82 2HB GLU 82 -4.735 21.076 -6.319 688 HG2 GLU 82 1HG GLU 82 -4.465 19.133 -7.675 689 HG3 GLU 82 2HG GLU 82 -3.313 18.411 -6.541 690 H ARG 83 H ARG 83 -1.020 22.908 -7.232 691 HA ARG 83 HA ARG 83 -2.569 23.477 -9.651 692 HB2 ARG 83 1HB ARG 83 0.300 24.182 -8.915 693 HB3 ARG 83 2HB ARG 83 -0.475 24.673 -10.421 694 HG2 ARG 83 1HG ARG 83 -2.186 25.933 -9.151 695 HG3 ARG 83 2HG ARG 83 -1.385 25.482 -7.638 696 HD2 ARG 83 1HD ARG 83 0.740 26.521 -8.589 697 HD3 ARG 83 2HD ARG 83 -0.254 27.171 -9.901 698 HE ARG 83 HE ARG 83 -0.035 28.149 -7.168 699 HH11 ARG 83 1HH1 ARG 83 -2.269 28.062 -9.924 700 HH12 ARG 83 2HH1 ARG 83 -3.095 29.502 -9.397 701 HH21 ARG 83 1HH2 ARG 83 -1.102 29.936 -6.591 702 HH22 ARG 83 2HH2 ARG 83 -2.460 30.543 -7.528 703 H SER 84 H SER 84 -1.787 23.049 -11.833 704 HA SER 84 HA SER 84 -1.813 20.571 -12.634 705 HB2 SER 84 1HB SER 84 0.231 22.219 -14.041 706 HB3 SER 84 2HB SER 84 -1.165 21.319 -14.680 707 HG SER 84 HG SER 84 -1.841 23.384 -14.738 708 H ARG 85 H ARG 85 1.408 21.817 -11.602 709 HA ARG 85 HA ARG 85 2.821 19.529 -12.631 710 HB2 ARG 85 1HB ARG 85 3.542 21.528 -10.459 711 HB3 ARG 85 2HB ARG 85 4.640 20.287 -11.081 712 HG2 ARG 85 1HG ARG 85 4.375 21.254 -13.367 713 HG3 ARG 85 2HG ARG 85 3.421 22.575 -12.662 714 HD2 ARG 85 1HD ARG 85 5.336 23.196 -11.234 715 HD3 ARG 85 2HD ARG 85 6.286 21.864 -11.913 716 HE ARG 85 HE ARG 85 5.644 24.430 -13.186 717 HH11 ARG 85 1HH1 ARG 85 6.900 21.167 -13.720 718 HH12 ARG 85 2HH1 ARG 85 7.690 21.619 -15.206 719 HH21 ARG 85 1HH2 ARG 85 6.679 24.923 -15.090 720 HH22 ARG 85 2HH2 ARG 85 7.561 23.702 -15.966 721 H GLN 86 H GLN 86 1.134 20.086 -9.570 722 HA GLN 86 HA GLN 86 1.787 17.267 -8.810 723 HB2 GLN 86 1HB GLN 86 1.838 19.702 -6.984 724 HB3 GLN 86 2HB GLN 86 1.845 18.023 -6.421 725 HG2 GLN 86 1HG GLN 86 3.948 17.627 -7.688 726 HG3 GLN 86 2HG GLN 86 3.980 19.338 -8.134 727 HE21 GLN 86 1HE2 GLN 86 5.623 18.163 -4.704 728 HE22 GLN 86 2HE2 GLN 86 5.153 17.091 -6.005 729 H LYS 87 H LYS 87 -0.344 18.133 -10.303 730 HA LYS 87 HA LYS 87 -2.678 18.851 -8.828 731 HB2 LYS 87 1HB LYS 87 -3.891 18.316 -10.829 732 HB3 LYS 87 2HB LYS 87 -2.386 19.106 -11.266 733 HG2 LYS 87 1HG LYS 87 -1.964 17.430 -12.699 734 HG3 LYS 87 2HG LYS 87 -1.757 16.351 -11.316 735 HD2 LYS 87 1HD LYS 87 -4.600 16.679 -11.859 736 HD3 LYS 87 2HD LYS 87 -3.761 16.258 -13.358 737 HE2 LYS 87 1HE LYS 87 -3.723 14.105 -12.706 738 HE3 LYS 87 2HE LYS 87 -2.687 14.552 -11.341 739 HZ1 LYS 87 1HZ LYS 87 -4.716 15.033 -10.066 740 HZ2 LYS 87 2HZ LYS 87 -4.637 13.447 -10.543 741 HZ3 LYS 87 3HZ LYS 87 -5.648 14.500 -11.323 742 H TYR 88 H TYR 88 -1.050 16.271 -8.096 743 HA TYR 88 HA TYR 88 -3.363 14.413 -7.973 744 HB2 TYR 88 1HB TYR 88 -1.572 12.646 -7.895 745 HB3 TYR 88 2HB TYR 88 -1.681 13.525 -9.413 746 HD1 TYR 88 HD1 TYR 88 0.320 14.175 -10.425 747 HD2 TYR 88 HD2 TYR 88 0.246 13.798 -6.130 748 HE1 TYR 88 HE1 TYR 88 2.776 14.626 -10.314 749 HE2 TYR 88 HE2 TYR 88 2.666 14.279 -6.046 750 HH TYR 88 HH TYR 88 4.674 14.397 -8.893 751 H ALA 89 H ALA 89 -2.525 16.595 -5.947 752 HA ALA 89 HA ALA 89 -1.168 15.205 -3.854 753 HB1 ALA 89 1HB ALA 89 -1.993 17.039 -2.396 754 HB2 ALA 89 2HB ALA 89 -1.350 17.671 -3.929 755 HB3 ALA 89 3HB ALA 89 -3.110 17.560 -3.678 756 H GLU 90 H GLU 90 -4.766 15.894 -4.139 757 HA GLU 90 HA GLU 90 -5.180 14.026 -1.920 758 HB2 GLU 90 1HB GLU 90 -6.628 16.133 -2.792 759 HB3 GLU 90 2HB GLU 90 -7.566 14.787 -3.470 760 HG2 GLU 90 1HG GLU 90 -8.356 15.368 -1.187 761 HG3 GLU 90 2HG GLU 90 -7.676 13.733 -1.232 762 H GLU 91 H GLU 91 -4.834 13.802 -5.264 763 HA GLU 91 HA GLU 91 -6.134 11.314 -5.763 764 HB2 GLU 91 1HB GLU 91 -4.951 12.859 -7.437 765 HB3 GLU 91 2HB GLU 91 -3.455 12.143 -6.856 766 HG2 GLU 91 1HG GLU 91 -4.388 9.893 -7.515 767 HG3 GLU 91 2HG GLU 91 -5.664 10.780 -8.363 768 H GLU 92 H GLU 92 -3.353 12.175 -3.686 769 HA GLU 92 HA GLU 92 -2.166 9.559 -3.564 770 HB2 GLU 92 1HB GLU 92 -0.966 11.193 -2.391 771 HB3 GLU 92 2HB GLU 92 -2.401 11.834 -1.614 772 HG2 GLU 92 1HG GLU 92 -1.454 9.068 -0.900 773 HG3 GLU 92 2HG GLU 92 -0.675 10.495 -0.202 774 H LEU 93 H LEU 93 -4.856 11.021 -1.698 775 HA LEU 93 HA LEU 93 -5.405 8.697 -0.165 776 HB2 LEU 93 1HB LEU 93 -6.185 10.992 0.357 777 HB3 LEU 93 2HB LEU 93 -7.244 10.950 -1.045 778 HG LEU 93 HG LEU 93 -8.569 9.149 -0.017 779 HD11 LEU 93 1HD1 LEU 93 -6.763 9.566 2.396 780 HD12 LEU 93 2HD1 LEU 93 -6.881 8.087 1.416 781 HD13 LEU 93 3HD1 LEU 93 -8.267 8.621 2.388 782 HD21 LEU 93 1HD2 LEU 93 -9.204 11.491 0.259 783 HD22 LEU 93 2HD2 LEU 93 -8.168 11.628 1.699 784 HD23 LEU 93 3HD2 LEU 93 -9.601 10.569 1.725 785 H GLU 94 H GLU 94 -6.671 9.851 -3.302 786 HA GLU 94 HA GLU 94 -8.606 7.736 -3.533 787 HB2 GLU 94 1HB GLU 94 -7.237 9.445 -5.626 788 HB3 GLU 94 2HB GLU 94 -8.516 8.281 -5.994 789 HG2 GLU 94 1HG GLU 94 -8.757 10.690 -4.163 790 HG3 GLU 94 2HG GLU 94 -9.452 10.525 -5.785 791 H GLN 95 H GLN 95 -5.165 7.921 -4.557 792 HA GLN 95 HA GLN 95 -5.363 5.336 -5.883 793 HB2 GLN 95 1HB GLN 95 -3.038 7.100 -5.122 794 HB3 GLN 95 2HB GLN 95 -2.808 5.444 -5.697 795 HG2 GLN 95 1HG GLN 95 -4.398 6.189 -7.657 796 HG3 GLN 95 2HG GLN 95 -3.896 7.817 -7.191 797 HE21 GLN 95 1HE2 GLN 95 -1.152 7.474 -9.318 798 HE22 GLN 95 2HE2 GLN 95 -2.547 8.408 -8.819 799 H VAL 96 H VAL 96 -4.428 6.395 -2.579 800 HA VAL 96 HA VAL 96 -3.458 3.818 -1.744 801 HB VAL 96 HB VAL 96 -4.915 6.020 -0.182 802 HG11 VAL 96 1HG1 VAL 96 -5.274 3.941 1.037 803 HG12 VAL 96 2HG1 VAL 96 -3.560 3.495 0.874 804 HG13 VAL 96 3HG1 VAL 96 -4.032 4.881 1.883 805 HG21 VAL 96 1HG2 VAL 96 -1.988 5.257 0.039 806 HG22 VAL 96 2HG2 VAL 96 -2.549 6.443 -1.146 807 HG23 VAL 96 3HG2 VAL 96 -2.792 6.738 0.581 808 H ARG 97 H ARG 97 -6.676 5.338 -1.820 809 HA ARG 97 HA ARG 97 -8.129 3.201 -0.674 810 HB2 ARG 97 1HB ARG 97 -8.712 5.558 -2.368 811 HB3 ARG 97 2HB ARG 97 -9.892 4.250 -2.505 812 HG2 ARG 97 1HG ARG 97 -10.658 4.515 -0.384 813 HG3 ARG 97 2HG ARG 97 -9.077 4.980 0.259 814 HD2 ARG 97 1HD ARG 97 -10.784 6.819 0.320 815 HD3 ARG 97 2HD ARG 97 -9.292 7.220 -0.530 816 HE ARG 97 HE ARG 97 -10.472 7.572 -2.459 817 HH11 ARG 97 1HH1 ARG 97 -12.568 5.685 -0.329 818 HH12 ARG 97 2HH1 ARG 97 -13.934 5.847 -1.400 819 HH21 ARG 97 1HH2 ARG 97 -12.211 7.733 -3.754 820 HH22 ARG 97 2HH2 ARG 97 -13.731 6.975 -3.317 821 H GLU 98 H GLU 98 -7.434 3.779 -4.191 822 HA GLU 98 HA GLU 98 -8.743 1.254 -4.812 823 HB2 GLU 98 1HB GLU 98 -7.119 3.190 -6.445 824 HB3 GLU 98 2HB GLU 98 -7.650 1.632 -7.093 825 HG2 GLU 98 1HG GLU 98 -9.462 3.829 -6.020 826 HG3 GLU 98 2HG GLU 98 -9.226 3.399 -7.722 827 H ALA 99 H ALA 99 -5.372 2.110 -4.075 828 HA ALA 99 HA ALA 99 -4.174 -0.307 -5.099 829 HB1 ALA 99 1HB ALA 99 -2.812 1.592 -4.442 830 HB2 ALA 99 2HB ALA 99 -3.394 1.471 -2.767 831 HB3 ALA 99 3HB ALA 99 -2.391 0.175 -3.452 832 H LEU 100 H LEU 100 -5.293 0.671 -1.812 833 HA LEU 100 HA LEU 100 -4.996 -1.888 -0.631 834 HB2 LEU 100 1HB LEU 100 -5.365 0.257 0.583 835 HB3 LEU 100 2HB LEU 100 -7.031 0.276 0.010 836 HG LEU 100 HG LEU 100 -7.480 -1.816 1.279 837 HD11 LEU 100 1HD1 LEU 100 -5.263 -2.817 1.392 838 HD12 LEU 100 2HD1 LEU 100 -5.823 -2.493 3.042 839 HD13 LEU 100 3HD1 LEU 100 -4.628 -1.412 2.282 840 HD21 LEU 100 1HD2 LEU 100 -6.310 0.476 2.906 841 HD22 LEU 100 2HD2 LEU 100 -7.463 -0.746 3.497 842 HD23 LEU 100 3HD2 LEU 100 -7.957 0.399 2.234 843 H ARG 101 H ARG 101 -7.789 -0.403 -2.317 844 HA ARG 101 HA ARG 101 -9.598 -2.560 -1.849 845 HB2 ARG 101 1HB ARG 101 -10.091 -0.236 -2.698 846 HB3 ARG 101 2HB ARG 101 -9.513 -0.753 -4.283 847 HG2 ARG 101 1HG ARG 101 -11.312 -2.473 -4.307 848 HG3 ARG 101 2HG ARG 101 -11.883 -1.830 -2.744 849 HD2 ARG 101 1HD ARG 101 -11.952 0.450 -3.856 850 HD3 ARG 101 2HD ARG 101 -11.681 -0.378 -5.398 851 HE ARG 101 HE ARG 101 -13.898 -1.557 -4.034 852 HH11 ARG 101 1HH1 ARG 101 -13.034 1.397 -5.792 853 HH12 ARG 101 2HH1 ARG 101 -14.692 1.682 -6.281 854 HH21 ARG 101 1HH2 ARG 101 -15.979 -1.108 -4.682 855 HH22 ARG 101 2HH2 ARG 101 -16.323 0.291 -5.664 856 H LYS 102 H LYS 102 -7.191 -2.072 -4.496 857 HA LYS 102 HA LYS 102 -8.128 -4.324 -6.050 858 HB2 LYS 102 1HB LYS 102 -6.583 -2.553 -6.911 859 HB3 LYS 102 2HB LYS 102 -5.315 -3.163 -5.865 860 HG2 LYS 102 1HG LYS 102 -6.602 -4.862 -8.065 861 HG3 LYS 102 2HG LYS 102 -5.197 -3.829 -8.340 862 HD2 LYS 102 1HD LYS 102 -4.338 -5.298 -6.175 863 HD3 LYS 102 2HD LYS 102 -5.352 -6.483 -6.996 864 HE2 LYS 102 1HE LYS 102 -4.065 -6.188 -9.077 865 HE3 LYS 102 2HE LYS 102 -3.103 -4.901 -8.329 866 HZ1 LYS 102 1HZ LYS 102 -2.243 -6.568 -6.760 867 HZ2 LYS 102 2HZ LYS 102 -1.886 -6.993 -8.313 868 HZ3 LYS 102 3HZ LYS 102 -3.105 -7.758 -7.500 869 H ALA 103 H ALA 103 -5.636 -3.935 -3.490 870 HA ALA 103 HA ALA 103 -4.813 -6.671 -3.595 871 HB1 ALA 103 1HB ALA 103 -3.489 -4.918 -2.535 872 HB2 ALA 103 2HB ALA 103 -4.745 -4.687 -1.299 873 HB3 ALA 103 3HB ALA 103 -3.851 -6.221 -1.390 874 H GLU 104 H GLU 104 -7.176 -4.991 -1.491 875 HA GLU 104 HA GLU 104 -7.887 -7.184 0.144 876 HB2 GLU 104 1HB GLU 104 -8.537 -4.835 0.547 877 HB3 GLU 104 2HB GLU 104 -9.550 -4.859 -0.897 878 HG2 GLU 104 1HG GLU 104 -10.986 -6.580 0.158 879 HG3 GLU 104 2HG GLU 104 -9.992 -6.479 1.624 880 H LYS 105 H LYS 105 -9.305 -6.033 -2.909 881 HA LYS 105 HA LYS 105 -11.352 -8.007 -3.146 882 HB2 LYS 105 1HB LYS 105 -11.111 -5.836 -4.345 883 HB3 LYS 105 2HB LYS 105 -9.775 -6.516 -5.273 884 HG2 LYS 105 1HG LYS 105 -11.472 -8.255 -6.113 885 HG3 LYS 105 2HG LYS 105 -12.711 -7.167 -5.444 886 HD2 LYS 105 1HD LYS 105 -10.562 -6.438 -7.489 887 HD3 LYS 105 2HD LYS 105 -12.283 -6.671 -7.841 888 HE2 LYS 105 1HE LYS 105 -12.844 -4.722 -6.402 889 HE3 LYS 105 2HE LYS 105 -11.128 -4.507 -6.003 890 HZ1 LYS 105 1HZ LYS 105 -11.775 -3.000 -7.740 891 HZ2 LYS 105 2HZ LYS 105 -12.294 -4.235 -8.706 892 HZ3 LYS 105 3HZ LYS 105 -10.693 -4.087 -8.342 893 H GLU 106 H GLU 106 -7.957 -7.944 -4.299 894 HA GLU 106 HA GLU 106 -8.170 -10.371 -5.820 895 HB2 GLU 106 1HB GLU 106 -6.364 -8.729 -6.113 896 HB3 GLU 106 2HB GLU 106 -5.782 -9.055 -4.478 897 HG2 GLU 106 1HG GLU 106 -5.307 -11.395 -5.136 898 HG3 GLU 106 2HG GLU 106 -5.805 -11.003 -6.793 899 H LEU 107 H LEU 107 -6.955 -9.670 -2.512 900 HA LEU 107 HA LEU 107 -6.292 -12.362 -1.883 901 HB2 LEU 107 1HB LEU 107 -7.046 -9.994 -0.168 902 HB3 LEU 107 2HB LEU 107 -6.562 -11.548 0.519 903 HG LEU 107 HG LEU 107 -4.743 -10.244 -1.486 904 HD11 LEU 107 1HD1 LEU 107 -3.670 -8.895 0.144 905 HD12 LEU 107 2HD1 LEU 107 -4.703 -9.491 1.446 906 HD13 LEU 107 3HD1 LEU 107 -5.386 -8.464 0.163 907 HD21 LEU 107 1HD2 LEU 107 -4.235 -11.861 1.041 908 HD22 LEU 107 2HD2 LEU 107 -3.000 -11.301 -0.103 909 HD23 LEU 107 3HD2 LEU 107 -4.215 -12.488 -0.609 910 H GLU 108 H GLU 108 -9.261 -10.475 -1.415 911 HA GLU 108 HA GLU 108 -10.763 -12.485 -0.080 912 HB2 GLU 108 1HB GLU 108 -11.484 -10.125 -0.338 913 HB3 GLU 108 2HB GLU 108 -11.658 -10.370 -2.075 914 HG2 GLU 108 1HG GLU 108 -13.429 -12.047 -1.641 915 HG3 GLU 108 2HG GLU 108 -13.275 -11.724 0.095 916 H SER 109 H SER 109 -10.493 -11.689 -3.586 917 HA SER 109 HA SER 109 -12.230 -13.710 -4.447 918 HB2 SER 109 1HB SER 109 -11.310 -13.390 -6.650 919 HB3 SER 109 2HB SER 109 -11.426 -11.824 -5.831 920 HG SER 109 HG SER 109 -9.087 -12.349 -5.228 921 H HIS 110 H HIS 110 -8.621 -14.027 -4.000 922 HA HIS 110 HA HIS 110 -8.922 -16.743 -5.031 923 HB2 HIS 110 1HB HIS 110 -6.571 -17.100 -4.666 924 HB3 HIS 110 2HB HIS 110 -6.883 -15.625 -5.578 925 HD1 HIS 110 HD1 HIS 110 -6.075 -16.567 -1.904 926 HD2 HIS 110 HD2 HIS 110 -5.456 -13.549 -4.739 927 HE1 HIS 110 HE1 HIS 110 -4.510 -14.875 -0.869 928 H SER 111 H SER 111 -9.233 -15.292 -1.906 929 HA SER 111 HA SER 111 -9.011 -17.938 -0.570 930 HB2 SER 111 1HB SER 111 -9.564 -16.667 1.461 931 HB3 SER 111 2HB SER 111 -8.223 -15.905 0.576 932 HG SER 111 HG SER 111 -9.616 -14.365 -0.210 933 H SER 112 H SER 112 -11.431 -16.343 -2.351 934 HA SER 112 HA SER 112 -13.708 -16.694 -0.659 935 HB2 SER 112 1HB SER 112 -13.457 -16.432 -3.671 936 HB3 SER 112 2HB SER 112 -15.005 -16.454 -2.805 937 HG SER 112 HG SER 112 -12.924 -14.635 -2.150 938 H TRP 113 H TRP 113 -12.095 -19.051 -2.712 939 HA TRP 113 HA TRP 113 -14.491 -20.715 -2.897 940 HB2 TRP 113 1HB TRP 113 -12.619 -20.748 -4.580 941 HB3 TRP 113 2HB TRP 113 -11.599 -21.503 -3.355 942 HD1 TRP 113 HD1 TRP 113 -12.708 -23.957 -2.355 943 HE1 TRP 113 HE1 TRP 113 -13.835 -25.840 -3.615 944 HE3 TRP 113 HE3 TRP 113 -13.975 -21.323 -6.559 945 HZ2 TRP 113 HZ2 TRP 113 -15.099 -26.201 -6.156 946 HZ3 TRP 113 HZ3 TRP 113 -15.166 -22.522 -8.409 947 HH2 TRP 113 HH2 TRP 113 -15.718 -24.945 -8.193 948 H TYR 114 H TYR 114 -15.298 -21.704 -1.156 949 HA TYR 114 HA TYR 114 -13.967 -21.798 1.330 950 HB2 TYR 114 1HB TYR 114 -16.386 -21.820 1.145 951 HB3 TYR 114 2HB TYR 114 -16.346 -23.372 0.295 952 HD1 TYR 114 HD1 TYR 114 -16.301 -25.439 1.497 953 HD2 TYR 114 HD2 TYR 114 -15.583 -21.748 3.591 954 HE1 TYR 114 HE1 TYR 114 -16.392 -26.651 3.678 955 HE2 TYR 114 HE2 TYR 114 -15.670 -22.973 5.764 956 HH TYR 114 HH TYR 114 -15.846 -25.008 6.791 957 H ALA 115 H ALA 115 -12.715 -23.136 2.362 958 HA ALA 115 HA ALA 115 -12.620 -25.994 1.863 959 HB1 ALA 115 1HB ALA 115 -10.144 -24.250 1.402 960 HB2 ALA 115 2HB ALA 115 -10.156 -26.023 1.490 961 HB3 ALA 115 3HB ALA 115 -10.979 -25.197 0.145 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 8.010 32.102 8.358 2 H2 GLY 1 2H GLY 1 9.550 31.622 8.707 3 H3 GLY 1 3H GLY 1 8.802 31.067 7.347 4 HA2 GLY 1 1HA GLY 1 9.610 33.840 7.882 5 HA3 GLY 1 2HA GLY 1 10.386 32.723 6.743 6 H SER 2 H SER 2 9.791 34.862 5.469 7 HA SER 2 HA SER 2 7.082 35.283 4.733 8 HB2 SER 2 1HB SER 2 8.749 36.353 2.756 9 HB3 SER 2 2HB SER 2 8.152 37.160 4.226 10 HG SER 2 HG SER 2 10.453 37.172 4.091 11 HA PRO 3 HA PRO 3 8.032 33.513 0.500 12 HB2 PRO 3 1HB PRO 3 9.374 31.169 0.166 13 HB3 PRO 3 2HB PRO 3 10.212 32.750 0.262 14 HG2 PRO 3 1HG PRO 3 9.719 30.750 2.444 15 HG3 PRO 3 2HG PRO 3 11.268 31.490 1.922 16 HD2 PRO 3 1HD PRO 3 9.897 32.484 4.001 17 HD3 PRO 3 2HD PRO 3 10.705 33.585 2.832 18 H GLU 4 H GLU 4 6.948 31.911 -0.791 19 HA GLU 4 HA GLU 4 4.582 31.021 0.382 20 HB2 GLU 4 1HB GLU 4 5.801 29.777 -2.096 21 HB3 GLU 4 2HB GLU 4 4.094 29.940 -1.681 22 HG2 GLU 4 1HG GLU 4 6.035 32.091 -2.532 23 HG3 GLU 4 2HG GLU 4 4.551 31.572 -3.348 24 H PHE 5 H PHE 5 7.557 29.080 -0.203 25 HA PHE 5 HA PHE 5 6.366 26.587 0.505 26 HB2 PHE 5 1HB PHE 5 8.582 26.771 -0.555 27 HB3 PHE 5 2HB PHE 5 9.233 27.516 0.913 28 HD1 PHE 5 HD1 PHE 5 10.190 26.161 2.585 29 HD2 PHE 5 HD2 PHE 5 7.508 24.392 -0.282 30 HE1 PHE 5 HE1 PHE 5 10.679 23.904 3.524 31 HE2 PHE 5 HE2 PHE 5 7.986 22.133 0.656 32 HZ PHE 5 HZ PHE 5 9.561 21.887 2.568 33 H ASN 6 H ASN 6 7.693 29.226 2.497 34 HA ASN 6 HA ASN 6 7.493 27.669 4.966 35 HB2 ASN 6 1HB ASN 6 7.874 30.624 4.364 36 HB3 ASN 6 2HB ASN 6 7.586 30.034 5.999 37 HD21 ASN 6 1HD2 ASN 6 10.898 28.133 4.769 38 HD22 ASN 6 2HD2 ASN 6 9.306 27.740 4.162 39 H ARG 7 H ARG 7 5.450 30.003 3.155 40 HA ARG 7 HA ARG 7 3.431 30.252 5.188 41 HB2 ARG 7 1HB ARG 7 3.119 30.327 2.161 42 HB3 ARG 7 2HB ARG 7 1.907 30.858 3.326 43 HG2 ARG 7 1HG ARG 7 3.417 32.633 4.116 44 HG3 ARG 7 2HG ARG 7 4.654 32.083 2.980 45 HD2 ARG 7 1HD ARG 7 2.914 32.424 1.139 46 HD3 ARG 7 2HD ARG 7 1.975 33.319 2.350 47 HE ARG 7 HE ARG 7 4.683 34.272 2.282 48 HH11 ARG 7 1HH1 ARG 7 1.754 34.407 0.312 49 HH12 ARG 7 2HH1 ARG 7 2.182 35.949 -0.371 50 HH21 ARG 7 1HH2 ARG 7 5.170 36.193 1.346 51 HH22 ARG 7 2HH2 ARG 7 4.100 36.931 0.186 52 H TYR 8 H TYR 8 3.996 27.856 2.641 53 HA TYR 8 HA TYR 8 1.493 26.443 3.204 54 HB2 TYR 8 1HB TYR 8 3.870 25.738 1.449 55 HB3 TYR 8 2HB TYR 8 2.326 24.898 1.456 56 HD1 TYR 8 HD1 TYR 8 0.684 27.685 1.688 57 HD2 TYR 8 HD2 TYR 8 3.738 26.170 -0.954 58 HE1 TYR 8 HE1 TYR 8 -0.084 29.225 -0.100 59 HE2 TYR 8 HE2 TYR 8 2.938 27.713 -2.740 60 HH TYR 8 HH TYR 8 0.316 30.052 -2.203 61 H SER 9 H SER 9 4.508 26.448 4.718 62 HA SER 9 HA SER 9 5.192 23.730 4.848 63 HB2 SER 9 1HB SER 9 6.460 24.290 6.856 64 HB3 SER 9 2HB SER 9 6.656 25.543 5.615 65 HG SER 9 HG SER 9 5.343 26.897 6.750 66 H LYS 10 H LYS 10 2.733 25.445 6.730 67 HA LYS 10 HA LYS 10 2.492 23.531 8.809 68 HB2 LYS 10 1HB LYS 10 0.235 24.511 9.170 69 HB3 LYS 10 2HB LYS 10 1.521 25.712 9.029 70 HG2 LYS 10 1HG LYS 10 0.827 26.076 6.619 71 HG3 LYS 10 2HG LYS 10 -0.569 25.038 6.939 72 HD2 LYS 10 1HD LYS 10 -1.181 26.594 8.827 73 HD3 LYS 10 2HD LYS 10 0.081 27.691 8.226 74 HE2 LYS 10 1HE LYS 10 -2.364 26.694 6.696 75 HE3 LYS 10 2HE LYS 10 -2.107 28.337 7.315 76 HZ1 LYS 10 1HZ LYS 10 -0.141 28.425 5.784 77 HZ2 LYS 10 2HZ LYS 10 -1.591 28.293 4.998 78 HZ3 LYS 10 3HZ LYS 10 -0.616 26.983 5.139 79 H GLU 11 H GLU 11 0.479 23.744 5.789 80 HA GLU 11 HA GLU 11 -0.759 21.196 6.460 81 HB2 GLU 11 1HB GLU 11 -0.811 22.910 3.976 82 HB3 GLU 11 2HB GLU 11 -1.723 21.413 4.147 83 HG2 GLU 11 1HG GLU 11 -2.030 23.843 5.946 84 HG3 GLU 11 2HG GLU 11 -3.096 23.440 4.594 85 H HIS 12 H HIS 12 1.940 22.311 4.413 86 HA HIS 12 HA HIS 12 2.247 19.908 2.916 87 HB2 HIS 12 1HB HIS 12 3.478 21.927 2.354 88 HB3 HIS 12 2HB HIS 12 4.304 21.904 3.917 89 HD1 HIS 12 HD1 HIS 12 3.968 19.283 1.072 90 HD2 HIS 12 HD2 HIS 12 6.794 21.026 3.616 91 HE1 HIS 12 HE1 HIS 12 6.201 18.232 0.540 92 H MET 13 H MET 13 3.704 20.841 6.114 93 HA MET 13 HA MET 13 4.986 18.263 6.373 94 HB2 MET 13 1HB MET 13 4.264 20.368 8.439 95 HB3 MET 13 2HB MET 13 5.171 18.899 8.802 96 HG2 MET 13 1HG MET 13 6.022 21.123 6.921 97 HG3 MET 13 2HG MET 13 6.692 20.778 8.520 98 HE1 MET 13 1HE MET 13 8.243 18.682 9.087 99 HE2 MET 13 2HE MET 13 7.015 17.520 8.522 100 HE3 MET 13 3HE MET 13 8.681 17.421 7.911 101 H LYS 14 H LYS 14 1.822 19.573 7.459 102 HA LYS 14 HA LYS 14 1.141 17.317 9.084 103 HB2 LYS 14 1HB LYS 14 -0.076 19.530 8.953 104 HB3 LYS 14 2HB LYS 14 -0.762 18.992 7.416 105 HG2 LYS 14 1HG LYS 14 -1.799 17.048 8.610 106 HG3 LYS 14 2HG LYS 14 -1.130 17.670 10.131 107 HD2 LYS 14 1HD LYS 14 -3.351 18.456 10.111 108 HD3 LYS 14 2HD LYS 14 -2.383 19.853 9.596 109 HE2 LYS 14 1HE LYS 14 -2.884 19.228 7.205 110 HE3 LYS 14 2HE LYS 14 -3.969 17.960 7.812 111 HZ1 LYS 14 1HZ LYS 14 -4.218 20.872 8.303 112 HZ2 LYS 14 2HZ LYS 14 -5.251 19.718 8.907 113 HZ3 LYS 14 3HZ LYS 14 -5.144 19.992 7.276 114 H LYS 15 H LYS 15 0.676 17.989 5.618 115 HA LYS 15 HA LYS 15 -0.693 15.543 5.001 116 HB2 LYS 15 1HB LYS 15 -0.685 17.590 3.597 117 HB3 LYS 15 2HB LYS 15 1.034 17.356 3.260 118 HG2 LYS 15 1HG LYS 15 0.629 15.420 1.989 119 HG3 LYS 15 2HG LYS 15 -1.039 15.289 2.591 120 HD2 LYS 15 1HD LYS 15 -1.717 17.258 1.385 121 HD3 LYS 15 2HD LYS 15 -0.042 17.635 0.934 122 HE2 LYS 15 1HE LYS 15 -1.463 16.558 -0.879 123 HE3 LYS 15 2HE LYS 15 0.093 15.792 -0.539 124 HZ1 LYS 15 1HZ LYS 15 -1.492 14.093 -0.700 125 HZ2 LYS 15 2HZ LYS 15 -2.575 14.852 0.274 126 HZ3 LYS 15 3HZ LYS 15 -1.170 14.214 0.914 127 H MET 16 H MET 16 2.759 16.534 4.827 128 HA MET 16 HA MET 16 3.764 14.123 3.788 129 HB2 MET 16 1HB MET 16 5.127 16.153 4.031 130 HB3 MET 16 2HB MET 16 5.039 16.016 5.791 131 HG2 MET 16 1HG MET 16 6.249 13.879 5.700 132 HG3 MET 16 2HG MET 16 6.347 14.012 3.941 133 HE1 MET 16 1HE MET 16 8.226 14.396 7.105 134 HE2 MET 16 2HE MET 16 8.896 13.495 5.725 135 HE3 MET 16 3HE MET 16 9.744 14.932 6.345 136 H MET 17 H MET 17 3.196 15.020 7.245 137 HA MET 17 HA MET 17 4.196 12.494 8.201 138 HB2 MET 17 1HB MET 17 2.268 14.486 9.435 139 HB3 MET 17 2HB MET 17 2.893 13.060 10.277 140 HG2 MET 17 1HG MET 17 5.202 13.885 9.962 141 HG3 MET 17 2HG MET 17 4.575 15.335 9.171 142 HE1 MET 17 1HE MET 17 2.942 17.349 12.053 143 HE2 MET 17 2HE MET 17 3.456 17.319 10.349 144 HE3 MET 17 3HE MET 17 2.090 16.312 10.886 145 H LYS 18 H LYS 18 0.896 13.598 7.316 146 HA LYS 18 HA LYS 18 -0.418 11.194 8.176 147 HB2 LYS 18 1HB LYS 18 -1.496 13.421 7.633 148 HB3 LYS 18 2HB LYS 18 -1.226 13.080 5.925 149 HG2 LYS 18 1HG LYS 18 -2.571 10.798 6.980 150 HG3 LYS 18 2HG LYS 18 -3.376 12.212 7.672 151 HD2 LYS 18 1HD LYS 18 -4.543 11.767 5.651 152 HD3 LYS 18 2HD LYS 18 -3.491 13.146 5.274 153 HE2 LYS 18 1HE LYS 18 -1.829 11.564 4.303 154 HE3 LYS 18 2HE LYS 18 -2.922 10.219 4.636 155 HZ1 LYS 18 1HZ LYS 18 -4.448 11.084 3.033 156 HZ2 LYS 18 2HZ LYS 18 -2.948 11.064 2.328 157 HZ3 LYS 18 3HZ LYS 18 -3.593 12.487 2.853 158 H ASP 19 H ASP 19 1.010 12.159 5.026 159 HA ASP 19 HA ASP 19 0.048 9.695 3.799 160 HB2 ASP 19 1HB ASP 19 1.718 12.005 2.864 161 HB3 ASP 19 2HB ASP 19 1.554 10.534 1.892 162 H LEU 20 H LEU 20 3.047 10.618 5.468 163 HA LEU 20 HA LEU 20 4.377 8.230 4.398 164 HB2 LEU 20 1HB LEU 20 5.112 10.184 6.577 165 HB3 LEU 20 2HB LEU 20 6.005 8.686 6.314 166 HG LEU 20 HG LEU 20 5.686 10.948 4.320 167 HD11 LEU 20 1HD1 LEU 20 8.083 9.848 5.836 168 HD12 LEU 20 2HD1 LEU 20 7.247 11.387 6.161 169 HD13 LEU 20 3HD1 LEU 20 8.126 11.157 4.635 170 HD21 LEU 20 1HD2 LEU 20 7.397 9.567 2.975 171 HD22 LEU 20 2HD2 LEU 20 5.732 8.958 2.960 172 HD23 LEU 20 3HD2 LEU 20 6.956 8.192 4.007 173 H GLU 21 H GLU 21 2.356 9.019 7.168 174 HA GLU 21 HA GLU 21 2.739 6.536 8.597 175 HB2 GLU 21 1HB GLU 21 1.481 8.236 9.716 176 HB3 GLU 21 2HB GLU 21 0.524 8.571 8.290 177 HG2 GLU 21 1HG GLU 21 -1.024 7.567 9.651 178 HG3 GLU 21 2HG GLU 21 -0.528 6.220 8.629 179 H GLY 22 H GLY 22 0.662 7.674 5.911 180 HA2 GLY 22 1HA GLY 22 -0.621 5.201 5.384 181 HA3 GLY 22 2HA GLY 22 -0.371 6.507 4.214 182 H LEU 23 H LEU 23 2.532 6.473 4.216 183 HA LEU 23 HA LEU 23 2.974 4.363 2.331 184 HB2 LEU 23 1HB LEU 23 4.158 6.682 2.793 185 HB3 LEU 23 2HB LEU 23 5.260 5.699 3.752 186 HG LEU 23 HG LEU 23 4.598 5.127 0.840 187 HD11 LEU 23 1HD1 LEU 23 5.541 7.396 1.070 188 HD12 LEU 23 2HD1 LEU 23 6.633 6.288 0.218 189 HD13 LEU 23 3HD1 LEU 23 6.952 6.712 1.917 190 HD21 LEU 23 1HD2 LEU 23 6.830 4.217 2.712 191 HD22 LEU 23 2HD2 LEU 23 6.886 4.001 0.949 192 HD23 LEU 23 3HD2 LEU 23 5.615 3.210 1.894 193 H HIS 24 H HIS 24 3.852 4.754 5.791 194 HA HIS 24 HA HIS 24 5.251 2.263 6.029 195 HB2 HIS 24 1HB HIS 24 5.284 4.096 7.720 196 HB3 HIS 24 2HB HIS 24 3.602 3.734 8.121 197 HD1 HIS 24 HD1 HIS 24 6.482 1.218 7.622 198 HD2 HIS 24 HD2 HIS 24 3.831 2.593 10.558 199 HE1 HIS 24 HE1 HIS 24 6.810 -0.233 9.672 200 H ARG 25 H ARG 25 1.807 3.194 6.161 201 HA ARG 25 HA ARG 25 1.001 0.471 6.739 202 HB2 ARG 25 1HB ARG 25 -0.627 2.852 5.892 203 HB3 ARG 25 2HB ARG 25 -1.290 1.239 6.253 204 HG2 ARG 25 1HG ARG 25 -0.016 1.338 8.448 205 HG3 ARG 25 2HG ARG 25 0.286 3.036 8.114 206 HD2 ARG 25 1HD ARG 25 -2.189 3.380 8.003 207 HD3 ARG 25 2HD ARG 25 -2.376 1.703 8.572 208 HE ARG 25 HE ARG 25 -1.441 4.034 10.110 209 HH11 ARG 25 1HH1 ARG 25 -1.444 0.465 10.062 210 HH12 ARG 25 2HH1 ARG 25 -1.138 0.393 11.774 211 HH21 ARG 25 1HH2 ARG 25 -1.006 3.833 12.198 212 HH22 ARG 25 2HH2 ARG 25 -0.895 2.259 12.971 213 H ALA 26 H ALA 26 1.876 2.055 3.747 214 HA ALA 26 HA ALA 26 0.649 0.008 2.080 215 HB1 ALA 26 1HB ALA 26 1.382 2.214 1.178 216 HB2 ALA 26 2HB ALA 26 3.076 1.758 1.483 217 HB3 ALA 26 3HB ALA 26 2.103 0.841 0.313 218 H GLU 27 H GLU 27 3.704 0.369 3.939 219 HA GLU 27 HA GLU 27 4.897 -2.073 2.924 220 HB2 GLU 27 1HB GLU 27 5.254 -0.791 5.649 221 HB3 GLU 27 2HB GLU 27 6.274 -2.049 4.961 222 HG2 GLU 27 1HG GLU 27 6.963 -0.524 3.157 223 HG3 GLU 27 2HG GLU 27 5.916 0.741 3.812 224 H GLN 28 H GLN 28 2.739 -1.216 5.607 225 HA GLN 28 HA GLN 28 2.341 -3.839 6.638 226 HB2 GLN 28 1HB GLN 28 1.565 -1.635 7.672 227 HB3 GLN 28 2HB GLN 28 0.243 -1.664 6.509 228 HG2 GLN 28 1HG GLN 28 -0.283 -4.002 7.462 229 HG3 GLN 28 2HG GLN 28 0.725 -3.504 8.823 230 HE21 GLN 28 1HE2 GLN 28 -3.070 -2.493 8.798 231 HE22 GLN 28 2HE2 GLN 28 -2.332 -3.842 7.948 232 H SER 29 H SER 29 0.906 -2.153 3.761 233 HA SER 29 HA SER 29 -1.063 -4.211 3.412 234 HB2 SER 29 1HB SER 29 -1.568 -3.268 1.284 235 HB3 SER 29 2HB SER 29 -1.289 -1.946 2.428 236 HG SER 29 HG SER 29 -0.243 -1.458 0.538 237 H LEU 30 H LEU 30 2.267 -3.852 1.982 238 HA LEU 30 HA LEU 30 2.124 -6.307 0.390 239 HB2 LEU 30 1HB LEU 30 4.612 -6.440 0.959 240 HB3 LEU 30 2HB LEU 30 3.949 -5.313 -0.184 241 HG LEU 30 HG LEU 30 4.244 -3.749 2.023 242 HD11 LEU 30 1HD1 LEU 30 5.510 -5.507 3.190 243 HD12 LEU 30 2HD1 LEU 30 6.569 -4.156 2.766 244 HD13 LEU 30 3HD1 LEU 30 6.610 -5.650 1.800 245 HD21 LEU 30 1HD2 LEU 30 6.145 -4.231 -0.289 246 HD22 LEU 30 2HD2 LEU 30 6.179 -2.818 0.792 247 HD23 LEU 30 3HD2 LEU 30 4.777 -3.094 -0.252 248 H HIS 31 H HIS 31 3.167 -5.694 3.843 249 HA HIS 31 HA HIS 31 3.504 -8.535 4.154 250 HB2 HIS 31 1HB HIS 31 3.569 -6.295 6.112 251 HB3 HIS 31 2HB HIS 31 3.689 -7.990 6.606 252 HD1 HIS 31 HD1 HIS 31 5.355 -8.444 3.623 253 HD2 HIS 31 HD2 HIS 31 6.324 -6.187 7.012 254 HE1 HIS 31 HE1 HIS 31 7.861 -8.147 3.628 255 H ASP 32 H ASP 32 0.655 -6.537 4.737 256 HA ASP 32 HA ASP 32 -0.804 -8.619 6.142 257 HB2 ASP 32 1HB ASP 32 -1.657 -6.195 4.507 258 HB3 ASP 32 2HB ASP 32 -2.829 -7.364 5.127 259 H LEU 33 H LEU 33 -0.172 -7.739 2.741 260 HA LEU 33 HA LEU 33 -2.044 -9.569 1.595 261 HB2 LEU 33 1HB LEU 33 0.413 -8.171 0.628 262 HB3 LEU 33 2HB LEU 33 -0.128 -9.562 -0.280 263 HG LEU 33 HG LEU 33 -2.117 -7.407 0.341 264 HD11 LEU 33 1HD1 LEU 33 -0.235 -6.097 -0.469 265 HD12 LEU 33 2HD1 LEU 33 -1.444 -6.216 -1.757 266 HD13 LEU 33 3HD1 LEU 33 0.021 -7.214 -1.818 267 HD21 LEU 33 1HD2 LEU 33 -2.689 -9.576 -0.824 268 HD22 LEU 33 2HD2 LEU 33 -1.658 -9.069 -2.162 269 HD23 LEU 33 3HD2 LEU 33 -3.095 -8.118 -1.745 270 H GLN 34 H GLN 34 1.490 -9.998 2.496 271 HA GLN 34 HA GLN 34 1.187 -12.824 1.793 272 HB2 GLN 34 1HB GLN 34 3.291 -13.063 3.381 273 HB3 GLN 34 2HB GLN 34 3.382 -12.610 1.695 274 HG2 GLN 34 1HG GLN 34 3.120 -10.439 3.705 275 HG3 GLN 34 2HG GLN 34 4.633 -11.325 3.660 276 HE21 GLN 34 1HE2 GLN 34 3.993 -9.826 -0.068 277 HE22 GLN 34 2HE2 GLN 34 2.962 -11.065 0.590 278 H GLU 35 H GLU 35 0.753 -11.109 4.933 279 HA GLU 35 HA GLU 35 0.668 -13.548 6.468 280 HB2 GLU 35 1HB GLU 35 0.861 -11.259 7.476 281 HB3 GLU 35 2HB GLU 35 -0.836 -10.969 7.049 282 HG2 GLU 35 1HG GLU 35 -1.484 -12.949 8.421 283 HG3 GLU 35 2HG GLU 35 0.207 -13.165 8.886 284 H ARG 36 H ARG 36 -1.867 -11.640 4.750 285 HA ARG 36 HA ARG 36 -3.911 -13.539 5.548 286 HB2 ARG 36 1HB ARG 36 -4.378 -11.172 4.931 287 HB3 ARG 36 2HB ARG 36 -4.027 -11.577 3.249 288 HG2 ARG 36 1HG ARG 36 -5.914 -13.080 3.131 289 HG3 ARG 36 2HG ARG 36 -6.148 -13.037 4.887 290 HD2 ARG 36 1HD ARG 36 -6.927 -10.777 4.817 291 HD3 ARG 36 2HD ARG 36 -6.414 -10.598 3.134 292 HE ARG 36 HE ARG 36 -8.291 -12.738 3.320 293 HH11 ARG 36 1HH1 ARG 36 -8.206 -9.209 3.426 294 HH12 ARG 36 2HH1 ARG 36 -9.837 -9.060 2.826 295 HH21 ARG 36 1HH2 ARG 36 -10.370 -12.466 2.545 296 HH22 ARG 36 2HH2 ARG 36 -11.035 -10.864 2.358 297 H LEU 37 H LEU 37 -1.452 -13.538 3.019 298 HA LEU 37 HA LEU 37 -2.702 -15.666 1.465 299 HB2 LEU 37 1HB LEU 37 -0.939 -14.769 0.318 300 HB3 LEU 37 2HB LEU 37 0.001 -14.486 1.738 301 HG LEU 37 HG LEU 37 0.545 -16.952 1.802 302 HD11 LEU 37 1HD1 LEU 37 0.312 -18.199 -0.302 303 HD12 LEU 37 2HD1 LEU 37 -1.275 -17.771 0.364 304 HD13 LEU 37 3HD1 LEU 37 -0.617 -16.854 -0.998 305 HD21 LEU 37 1HD2 LEU 37 2.265 -16.744 0.059 306 HD22 LEU 37 2HD2 LEU 37 2.122 -15.266 1.034 307 HD23 LEU 37 3HD2 LEU 37 1.423 -15.321 -0.597 308 H HIS 38 H HIS 38 -0.419 -15.511 4.245 309 HA HIS 38 HA HIS 38 -0.097 -18.320 4.549 310 HB2 HIS 38 1HB HIS 38 1.259 -17.645 6.176 311 HB3 HIS 38 2HB HIS 38 0.646 -15.999 6.017 312 HD1 HIS 38 HD1 HIS 38 -0.362 -19.244 7.910 313 HD2 HIS 38 HD2 HIS 38 -0.493 -15.083 8.260 314 HE1 HIS 38 HE1 HIS 38 -1.317 -18.726 10.175 315 H LYS 39 H LYS 39 -2.614 -16.098 5.824 316 HA LYS 39 HA LYS 39 -4.132 -18.235 7.064 317 HB2 LYS 39 1HB LYS 39 -4.924 -15.455 6.154 318 HB3 LYS 39 2HB LYS 39 -5.956 -16.529 7.112 319 HG2 LYS 39 1HG LYS 39 -4.331 -16.550 8.920 320 HG3 LYS 39 2HG LYS 39 -3.197 -15.606 7.948 321 HD2 LYS 39 1HD LYS 39 -4.811 -13.746 7.884 322 HD3 LYS 39 2HD LYS 39 -5.868 -14.664 8.988 323 HE2 LYS 39 1HE LYS 39 -4.118 -14.717 10.680 324 HE3 LYS 39 2HE LYS 39 -2.954 -14.005 9.551 325 HZ1 LYS 39 1HZ LYS 39 -3.613 -12.226 10.801 326 HZ2 LYS 39 2HZ LYS 39 -5.207 -12.688 10.879 327 HZ3 LYS 39 3HZ LYS 39 -4.578 -12.071 9.483 328 H ALA 40 H ALA 40 -4.218 -16.747 3.818 329 HA ALA 40 HA ALA 40 -6.635 -17.926 2.917 330 HB1 ALA 40 1HB ALA 40 -5.676 -17.648 0.639 331 HB2 ALA 40 2HB ALA 40 -5.498 -16.179 1.619 332 HB3 ALA 40 3HB ALA 40 -4.109 -17.257 1.352 333 H GLN 41 H GLN 41 -3.278 -19.190 3.227 334 HA GLN 41 HA GLN 41 -4.271 -21.720 2.033 335 HB2 GLN 41 1HB GLN 41 -1.738 -21.063 3.587 336 HB3 GLN 41 2HB GLN 41 -2.060 -22.604 2.787 337 HG2 GLN 41 1HG GLN 41 -1.861 -21.654 0.634 338 HG3 GLN 41 2HG GLN 41 -2.061 -20.005 1.240 339 HE21 GLN 41 1HE2 GLN 41 1.287 -19.698 2.412 340 HE22 GLN 41 2HE2 GLN 41 -0.364 -19.236 2.768 341 H GLU 42 H GLU 42 -2.992 -20.763 5.298 342 HA GLU 42 HA GLU 42 -3.492 -23.311 6.363 343 HB2 GLU 42 1HB GLU 42 -1.913 -21.522 7.125 344 HB3 GLU 42 2HB GLU 42 -3.268 -20.742 7.951 345 HG2 GLU 42 1HG GLU 42 -3.541 -22.622 9.427 346 HG3 GLU 42 2HG GLU 42 -2.448 -23.620 8.451 347 H GLU 43 H GLU 43 -5.538 -20.415 6.563 348 HA GLU 43 HA GLU 43 -7.503 -21.976 8.126 349 HB2 GLU 43 1HB GLU 43 -7.502 -19.060 7.285 350 HB3 GLU 43 2HB GLU 43 -8.684 -19.838 8.342 351 HG2 GLU 43 1HG GLU 43 -6.821 -20.366 9.940 352 HG3 GLU 43 2HG GLU 43 -5.726 -19.416 8.918 353 H HIS 44 H HIS 44 -7.063 -20.497 4.872 354 HA HIS 44 HA HIS 44 -9.930 -21.081 4.413 355 HB2 HIS 44 1HB HIS 44 -8.085 -19.422 2.738 356 HB3 HIS 44 2HB HIS 44 -9.777 -19.711 2.404 357 HD1 HIS 44 HD1 HIS 44 -11.526 -18.607 4.082 358 HD2 HIS 44 HD2 HIS 44 -7.548 -17.528 4.676 359 HE1 HIS 44 HE1 HIS 44 -11.531 -16.572 5.580 360 H ARG 45 H ARG 45 -6.841 -22.085 2.932 361 HA ARG 45 HA ARG 45 -6.477 -23.681 1.267 362 HB2 ARG 45 1HB ARG 45 -8.510 -24.846 3.123 363 HB3 ARG 45 2HB ARG 45 -8.125 -25.754 1.665 364 HG2 ARG 45 1HG ARG 45 -5.979 -26.199 2.283 365 HG3 ARG 45 2HG ARG 45 -5.847 -24.779 3.317 366 HD2 ARG 45 1HD ARG 45 -7.716 -27.032 4.035 367 HD3 ARG 45 2HD ARG 45 -5.992 -27.112 4.420 368 HE ARG 45 HE ARG 45 -6.211 -25.216 5.876 369 HH11 ARG 45 1HH1 ARG 45 -9.376 -26.344 4.697 370 HH12 ARG 45 2HH1 ARG 45 -10.206 -25.533 5.998 371 HH21 ARG 45 1HH2 ARG 45 -7.346 -24.277 7.475 372 HH22 ARG 45 2HH2 ARG 45 -9.092 -24.395 7.530 373 H THR 46 H THR 46 -7.680 -21.706 0.034 374 HA THR 46 HA THR 46 -10.154 -22.278 -1.282 375 HB THR 46 HB THR 46 -9.183 -20.013 -1.201 376 HG1 THR 46 HG1 THR 46 -9.545 -19.484 -3.365 377 HG21 THR 46 1HG2 THR 46 -6.979 -21.224 -2.898 378 HG22 THR 46 2HG2 THR 46 -6.832 -20.402 -1.328 379 HG23 THR 46 3HG2 THR 46 -7.279 -19.479 -2.771 380 H VAL 47 H VAL 47 -10.244 -22.550 -3.792 381 HA VAL 47 HA VAL 47 -9.370 -25.174 -4.391 382 HB VAL 47 HB VAL 47 -9.997 -24.637 -6.782 383 HG11 VAL 47 1HG1 VAL 47 -11.691 -25.357 -5.131 384 HG12 VAL 47 2HG1 VAL 47 -12.024 -23.652 -4.741 385 HG13 VAL 47 3HG1 VAL 47 -12.365 -24.279 -6.367 386 HG21 VAL 47 1HG2 VAL 47 -10.535 -21.819 -5.697 387 HG22 VAL 47 2HG2 VAL 47 -9.283 -22.262 -6.881 388 HG23 VAL 47 3HG2 VAL 47 -10.995 -22.419 -7.303 389 H GLU 48 H GLU 48 -7.686 -22.151 -4.831 390 HA GLU 48 HA GLU 48 -5.682 -23.465 -6.589 391 HB2 GLU 48 1HB GLU 48 -4.878 -21.135 -6.945 392 HB3 GLU 48 2HB GLU 48 -6.552 -21.399 -7.446 393 HG2 GLU 48 1HG GLU 48 -7.410 -20.290 -5.498 394 HG3 GLU 48 2HG GLU 48 -5.801 -20.219 -4.771 395 H VAL 49 H VAL 49 -5.983 -23.748 -3.485 396 HA VAL 49 HA VAL 49 -3.920 -22.333 -2.201 397 HB VAL 49 HB VAL 49 -5.676 -23.723 -1.078 398 HG11 VAL 49 1HG1 VAL 49 -5.494 -25.764 -2.476 399 HG12 VAL 49 2HG1 VAL 49 -3.900 -26.106 -1.754 400 HG13 VAL 49 3HG1 VAL 49 -5.364 -26.121 -0.745 401 HG21 VAL 49 1HG2 VAL 49 -4.313 -24.431 0.813 402 HG22 VAL 49 2HG2 VAL 49 -2.846 -24.373 -0.190 403 HG23 VAL 49 3HG2 VAL 49 -3.740 -22.879 0.170 404 H GLU 50 H GLU 50 -3.591 -25.063 -4.371 405 HA GLU 50 HA GLU 50 -0.960 -25.920 -3.688 406 HB2 GLU 50 1HB GLU 50 -2.597 -27.072 -5.200 407 HB3 GLU 50 2HB GLU 50 -2.358 -25.800 -6.391 408 HG2 GLU 50 1HG GLU 50 -1.070 -27.602 -7.170 409 HG3 GLU 50 2HG GLU 50 0.103 -26.482 -6.482 410 H LYS 51 H LYS 51 -2.121 -23.083 -5.470 411 HA LYS 51 HA LYS 51 0.684 -22.175 -5.810 412 HB2 LYS 51 1HB LYS 51 -0.355 -23.609 -7.789 413 HB3 LYS 51 2HB LYS 51 -1.137 -22.086 -8.204 414 HG2 LYS 51 1HG LYS 51 1.094 -21.013 -8.366 415 HG3 LYS 51 2HG LYS 51 1.853 -22.570 -7.954 416 HD2 LYS 51 1HD LYS 51 0.777 -23.607 -9.913 417 HD3 LYS 51 2HD LYS 51 0.027 -22.051 -10.325 418 HE2 LYS 51 1HE LYS 51 2.259 -21.047 -10.605 419 HE3 LYS 51 2HE LYS 51 3.011 -22.608 -10.192 420 HZ1 LYS 51 1HZ LYS 51 1.199 -22.134 -12.491 421 HZ2 LYS 51 2HZ LYS 51 1.895 -23.578 -12.107 422 HZ3 LYS 51 3HZ LYS 51 2.837 -22.312 -12.589 423 H VAL 52 H VAL 52 -1.520 -21.216 -4.167 424 HA VAL 52 HA VAL 52 -3.158 -19.239 -5.127 425 HB VAL 52 HB VAL 52 -2.255 -18.067 -2.762 426 HG11 VAL 52 1HG1 VAL 52 -4.568 -18.562 -3.342 427 HG12 VAL 52 2HG1 VAL 52 -4.273 -20.296 -3.083 428 HG13 VAL 52 3HG1 VAL 52 -4.175 -19.160 -1.717 429 HG21 VAL 52 1HG2 VAL 52 -1.809 -19.826 -1.165 430 HG22 VAL 52 2HG2 VAL 52 -1.979 -21.081 -2.396 431 HG23 VAL 52 3HG2 VAL 52 -0.607 -19.946 -2.456 432 H HIS 53 H HIS 53 0.189 -18.554 -3.997 433 HA HIS 53 HA HIS 53 0.018 -16.032 -5.597 434 HB2 HIS 53 1HB HIS 53 1.374 -16.494 -2.912 435 HB3 HIS 53 2HB HIS 53 1.668 -15.084 -3.932 436 HD1 HIS 53 HD1 HIS 53 0.715 -13.466 -2.077 437 HD2 HIS 53 HD2 HIS 53 -2.024 -16.259 -3.542 438 HE1 HIS 53 HE1 HIS 53 -1.552 -12.787 -1.242 439 H LEU 54 H LEU 54 2.362 -18.127 -3.947 440 HA LEU 54 HA LEU 54 4.474 -18.796 -4.457 441 HB2 LEU 54 1HB LEU 54 3.006 -19.430 -6.671 442 HB3 LEU 54 2HB LEU 54 4.207 -18.362 -7.384 443 HG LEU 54 HG LEU 54 5.998 -19.849 -6.390 444 HD11 LEU 54 1HD1 LEU 54 4.690 -20.963 -4.628 445 HD12 LEU 54 2HD1 LEU 54 5.315 -22.164 -5.771 446 HD13 LEU 54 3HD1 LEU 54 3.608 -21.671 -5.847 447 HD21 LEU 54 1HD2 LEU 54 5.721 -21.581 -8.123 448 HD22 LEU 54 2HD2 LEU 54 5.308 -19.971 -8.750 449 HD23 LEU 54 3HD2 LEU 54 4.015 -21.117 -8.317 450 H GLU 55 H GLU 55 6.489 -18.037 -5.977 451 HA GLU 55 HA GLU 55 7.174 -15.520 -4.922 452 HB2 GLU 55 1HB GLU 55 8.716 -17.355 -5.769 453 HB3 GLU 55 2HB GLU 55 8.398 -16.772 -7.406 454 HG2 GLU 55 1HG GLU 55 9.193 -14.638 -5.535 455 HG3 GLU 55 2HG GLU 55 10.409 -15.911 -5.703 456 H LYS 56 H LYS 56 5.907 -16.359 -8.179 457 HA LYS 56 HA LYS 56 6.341 -13.798 -9.293 458 HB2 LYS 56 1HB LYS 56 5.646 -15.801 -10.636 459 HB3 LYS 56 2HB LYS 56 4.016 -15.645 -9.952 460 HG2 LYS 56 1HG LYS 56 3.985 -13.259 -10.863 461 HG3 LYS 56 2HG LYS 56 5.469 -13.645 -11.737 462 HD2 LYS 56 1HD LYS 56 4.277 -15.383 -12.995 463 HD3 LYS 56 2HD LYS 56 2.809 -15.082 -12.028 464 HE2 LYS 56 1HE LYS 56 2.855 -12.686 -12.797 465 HE3 LYS 56 2HE LYS 56 4.205 -13.090 -13.869 466 HZ1 LYS 56 1HZ LYS 56 1.486 -14.260 -14.013 467 HZ2 LYS 56 2HZ LYS 56 2.737 -14.636 -15.022 468 HZ3 LYS 56 3HZ LYS 56 2.095 -13.116 -15.031 469 H LYS 57 H LYS 57 3.267 -15.014 -7.712 470 HA LYS 57 HA LYS 57 2.171 -12.349 -8.120 471 HB2 LYS 57 1HB LYS 57 0.843 -14.529 -8.022 472 HB3 LYS 57 2HB LYS 57 1.025 -14.409 -6.273 473 HG2 LYS 57 1HG LYS 57 0.062 -11.923 -7.480 474 HG3 LYS 57 2HG LYS 57 -1.015 -13.301 -7.768 475 HD2 LYS 57 1HD LYS 57 -1.171 -13.757 -5.392 476 HD3 LYS 57 2HD LYS 57 0.048 -12.517 -5.032 477 HE2 LYS 57 1HE LYS 57 -1.439 -10.788 -5.959 478 HE3 LYS 57 2HE LYS 57 -2.670 -12.027 -6.280 479 HZ1 LYS 57 1HZ LYS 57 -2.913 -12.395 -3.968 480 HZ2 LYS 57 2HZ LYS 57 -2.944 -10.750 -4.182 481 HZ3 LYS 57 3HZ LYS 57 -1.588 -11.479 -3.582 482 H LEU 58 H LEU 58 3.927 -13.975 -5.448 483 HA LEU 58 HA LEU 58 3.190 -11.960 -3.523 484 HB2 LEU 58 1HB LEU 58 4.357 -14.117 -3.013 485 HB3 LEU 58 2HB LEU 58 5.838 -13.447 -3.697 486 HG LEU 58 HG LEU 58 4.455 -11.894 -1.533 487 HD11 LEU 58 1HD1 LEU 58 6.069 -14.425 -1.028 488 HD12 LEU 58 2HD1 LEU 58 4.333 -14.189 -0.700 489 HD13 LEU 58 3HD1 LEU 58 5.539 -13.263 0.214 490 HD21 LEU 58 1HD2 LEU 58 7.388 -12.497 -2.119 491 HD22 LEU 58 2HD2 LEU 58 6.784 -11.435 -0.824 492 HD23 LEU 58 3HD2 LEU 58 6.523 -10.994 -2.519 493 H ARG 59 H ARG 59 5.882 -12.217 -5.888 494 HA ARG 59 HA ARG 59 7.106 -9.715 -5.294 495 HB2 ARG 59 1HB ARG 59 8.057 -11.550 -6.708 496 HB3 ARG 59 2HB ARG 59 6.879 -11.163 -7.964 497 HG2 ARG 59 1HG ARG 59 7.872 -8.890 -8.148 498 HG3 ARG 59 2HG ARG 59 9.114 -9.372 -6.976 499 HD2 ARG 59 1HD ARG 59 8.557 -10.764 -9.628 500 HD3 ARG 59 2HD ARG 59 9.843 -9.579 -9.374 501 HE ARG 59 HE ARG 59 9.788 -12.396 -8.498 502 HH11 ARG 59 1HH1 ARG 59 11.405 -9.266 -8.086 503 HH12 ARG 59 2HH1 ARG 59 12.865 -10.001 -7.484 504 HH21 ARG 59 1HH2 ARG 59 11.696 -13.249 -7.751 505 HH22 ARG 59 2HH2 ARG 59 13.016 -12.201 -7.281 506 H ASP 60 H ASP 60 4.388 -10.575 -7.427 507 HA ASP 60 HA ASP 60 4.171 -7.953 -8.594 508 HB2 ASP 60 1HB ASP 60 3.343 -10.269 -9.436 509 HB3 ASP 60 2HB ASP 60 1.916 -9.959 -8.440 510 H GLU 61 H GLU 61 2.441 -9.568 -5.864 511 HA GLU 61 HA GLU 61 0.559 -7.406 -5.564 512 HB2 GLU 61 1HB GLU 61 -0.229 -8.521 -3.668 513 HB3 GLU 61 2HB GLU 61 0.322 -9.804 -4.739 514 HG2 GLU 61 1HG GLU 61 2.477 -9.816 -3.382 515 HG3 GLU 61 2HG GLU 61 1.681 -8.766 -2.223 516 H ILE 62 H ILE 62 3.727 -8.170 -3.973 517 HA ILE 62 HA ILE 62 3.448 -5.759 -2.429 518 HB ILE 62 HB ILE 62 5.512 -6.086 -1.508 519 HG12 ILE 62 1HG1 ILE 62 6.235 -8.129 -3.612 520 HG13 ILE 62 2HG1 ILE 62 6.850 -6.467 -3.532 521 HG21 ILE 62 1HG2 ILE 62 3.591 -7.772 -1.048 522 HG22 ILE 62 2HG2 ILE 62 4.552 -8.938 -1.972 523 HG23 ILE 62 3HG2 ILE 62 5.213 -8.218 -0.493 524 HD11 ILE 62 1HD1 ILE 62 7.255 -8.715 -1.553 525 HD12 ILE 62 2HD1 ILE 62 8.490 -7.766 -2.423 526 HD13 ILE 62 3HD1 ILE 62 7.524 -7.018 -1.112 527 H ASN 63 H ASN 63 4.346 -6.383 -5.709 528 HA ASN 63 HA ASN 63 5.705 -3.802 -6.010 529 HB2 ASN 63 1HB ASN 63 4.958 -6.005 -7.784 530 HB3 ASN 63 2HB ASN 63 4.637 -4.428 -8.495 531 HD21 ASN 63 1HD2 ASN 63 8.401 -5.787 -8.128 532 HD22 ASN 63 2HD2 ASN 63 7.005 -6.709 -7.591 533 H LEU 64 H LEU 64 2.386 -5.056 -6.131 534 HA LEU 64 HA LEU 64 1.163 -2.621 -7.114 535 HB2 LEU 64 1HB LEU 64 -0.059 -4.744 -7.114 536 HB3 LEU 64 2HB LEU 64 0.132 -4.881 -5.384 537 HG LEU 64 HG LEU 64 -1.289 -2.827 -5.100 538 HD11 LEU 64 1HD1 LEU 64 -2.830 -2.297 -6.965 539 HD12 LEU 64 2HD1 LEU 64 -1.898 -3.373 -8.034 540 HD13 LEU 64 3HD1 LEU 64 -1.147 -1.903 -7.365 541 HD21 LEU 64 1HD2 LEU 64 -2.019 -5.150 -4.716 542 HD22 LEU 64 2HD2 LEU 64 -2.510 -5.279 -6.421 543 HD23 LEU 64 3HD2 LEU 64 -3.328 -4.133 -5.329 544 H ALA 65 H ALA 65 1.904 -3.960 -3.849 545 HA ALA 65 HA ALA 65 0.954 -1.654 -2.416 546 HB1 ALA 65 1HB ALA 65 3.122 -3.652 -1.692 547 HB2 ALA 65 2HB ALA 65 2.337 -2.515 -0.572 548 HB3 ALA 65 3HB ALA 65 1.385 -3.806 -1.336 549 H LYS 66 H LYS 66 4.128 -2.436 -3.884 550 HA LYS 66 HA LYS 66 5.496 -0.076 -2.963 551 HB2 LYS 66 1HB LYS 66 6.611 -2.075 -3.886 552 HB3 LYS 66 2HB LYS 66 5.882 -1.763 -5.449 553 HG2 LYS 66 1HG LYS 66 7.241 0.613 -4.918 554 HG3 LYS 66 2HG LYS 66 8.301 -0.637 -4.248 555 HD2 LYS 66 1HD LYS 66 8.946 -0.381 -6.535 556 HD3 LYS 66 2HD LYS 66 8.013 -1.889 -6.452 557 HE2 LYS 66 1HE LYS 66 5.965 -0.530 -7.138 558 HE3 LYS 66 2HE LYS 66 7.055 0.831 -7.441 559 HZ1 LYS 66 1HZ LYS 66 7.238 -1.824 -8.744 560 HZ2 LYS 66 2HZ LYS 66 8.163 -0.499 -9.099 561 HZ3 LYS 66 3HZ LYS 66 6.538 -0.484 -9.417 562 H GLN 67 H GLN 67 3.260 -0.703 -5.658 563 HA GLN 67 HA GLN 67 3.714 1.831 -6.980 564 HB2 GLN 67 1HB GLN 67 1.958 -0.456 -7.283 565 HB3 GLN 67 2HB GLN 67 1.014 1.021 -7.330 566 HG2 GLN 67 1HG GLN 67 1.514 0.704 -9.555 567 HG3 GLN 67 2HG GLN 67 2.778 1.838 -9.058 568 HE21 GLN 67 1HE2 GLN 67 3.697 -2.049 -10.032 569 HE22 GLN 67 2HE2 GLN 67 2.064 -1.599 -9.620 570 H GLU 68 H GLU 68 1.229 0.624 -4.604 571 HA GLU 68 HA GLU 68 0.014 3.088 -3.985 572 HB2 GLU 68 1HB GLU 68 -0.461 0.723 -3.096 573 HB3 GLU 68 2HB GLU 68 0.838 1.013 -1.948 574 HG2 GLU 68 1HG GLU 68 -0.427 3.091 -1.252 575 HG3 GLU 68 2HG GLU 68 -1.789 2.424 -2.156 576 H ALA 69 H ALA 69 3.094 1.731 -2.649 577 HA ALA 69 HA ALA 69 3.600 3.860 -0.849 578 HB1 ALA 69 1HB ALA 69 5.606 2.122 -2.337 579 HB2 ALA 69 2HB ALA 69 5.928 3.074 -0.879 580 HB3 ALA 69 3HB ALA 69 4.795 1.707 -0.808 581 H GLN 70 H GLN 70 4.484 3.600 -4.336 582 HA GLN 70 HA GLN 70 6.043 6.018 -4.422 583 HB2 GLN 70 1HB GLN 70 6.305 4.826 -6.371 584 HB3 GLN 70 2HB GLN 70 4.636 4.275 -6.395 585 HG2 GLN 70 1HG GLN 70 5.076 5.719 -8.323 586 HG3 GLN 70 2HG GLN 70 3.881 6.468 -7.269 587 HE21 GLN 70 1HE2 GLN 70 5.673 9.457 -7.485 588 HE22 GLN 70 2HE2 GLN 70 4.158 8.600 -7.677 589 H ARG 71 H ARG 71 2.562 5.329 -4.806 590 HA ARG 71 HA ARG 71 1.760 7.996 -5.449 591 HB2 ARG 71 1HB ARG 71 0.449 5.528 -4.412 592 HB3 ARG 71 2HB ARG 71 -0.329 7.045 -3.996 593 HG2 ARG 71 1HG ARG 71 -1.406 6.301 -5.935 594 HG3 ARG 71 2HG ARG 71 -0.354 7.610 -6.430 595 HD2 ARG 71 1HD ARG 71 -0.107 5.998 -8.101 596 HD3 ARG 71 2HD ARG 71 1.339 5.813 -7.094 597 HE ARG 71 HE ARG 71 0.296 3.886 -6.025 598 HH11 ARG 71 1HH1 ARG 71 -1.250 4.906 -9.056 599 HH12 ARG 71 2HH1 ARG 71 -2.001 3.347 -9.273 600 HH21 ARG 71 1HH2 ARG 71 -0.762 1.976 -6.368 601 HH22 ARG 71 2HH2 ARG 71 -1.758 1.745 -7.780 602 H LEU 72 H LEU 72 2.338 6.351 -2.294 603 HA LEU 72 HA LEU 72 1.400 8.616 -0.786 604 HB2 LEU 72 1HB LEU 72 2.820 6.076 -0.097 605 HB3 LEU 72 2HB LEU 72 2.451 7.318 1.120 606 HG LEU 72 HG LEU 72 0.258 6.473 -0.743 607 HD11 LEU 72 1HD1 LEU 72 1.216 4.342 -0.054 608 HD12 LEU 72 2HD1 LEU 72 -0.397 4.603 0.631 609 HD13 LEU 72 3HD1 LEU 72 1.039 4.818 1.635 610 HD21 LEU 72 1HD2 LEU 72 -1.147 6.874 1.231 611 HD22 LEU 72 2HD2 LEU 72 -0.120 8.279 0.883 612 HD23 LEU 72 3HD2 LEU 72 0.305 7.178 2.206 613 H LYS 73 H LYS 73 4.463 7.702 -2.200 614 HA LYS 73 HA LYS 73 6.004 9.681 -0.710 615 HB2 LYS 73 1HB LYS 73 7.313 8.004 -1.693 616 HB3 LYS 73 2HB LYS 73 6.414 8.037 -3.201 617 HG2 LYS 73 1HG LYS 73 7.787 10.575 -2.682 618 HG3 LYS 73 2HG LYS 73 8.890 9.197 -2.749 619 HD2 LYS 73 1HD LYS 73 8.269 8.624 -4.948 620 HD3 LYS 73 2HD LYS 73 6.759 9.548 -4.877 621 HE2 LYS 73 1HE LYS 73 9.435 10.932 -4.657 622 HE3 LYS 73 2HE LYS 73 8.734 10.523 -6.240 623 HZ1 LYS 73 1HZ LYS 73 8.199 12.791 -5.255 624 HZ2 LYS 73 2HZ LYS 73 7.185 12.003 -4.230 625 HZ3 LYS 73 3HZ LYS 73 6.926 11.912 -5.862 626 H GLU 74 H GLU 74 4.262 9.594 -3.866 627 HA GLU 74 HA GLU 74 4.965 12.276 -4.581 628 HB2 GLU 74 1HB GLU 74 3.872 10.382 -5.978 629 HB3 GLU 74 2HB GLU 74 2.349 10.967 -5.315 630 HG2 GLU 74 1HG GLU 74 2.616 12.021 -7.421 631 HG3 GLU 74 2HG GLU 74 2.955 13.259 -6.204 632 H LEU 75 H LEU 75 2.246 10.883 -2.761 633 HA LEU 75 HA LEU 75 0.858 13.332 -2.303 634 HB2 LEU 75 1HB LEU 75 1.015 10.697 -0.840 635 HB3 LEU 75 2HB LEU 75 0.022 12.018 -0.269 636 HG LEU 75 HG LEU 75 -0.367 11.021 -3.061 637 HD11 LEU 75 1HD1 LEU 75 -2.064 9.462 -2.204 638 HD12 LEU 75 2HD1 LEU 75 -1.561 9.818 -0.537 639 HD13 LEU 75 3HD1 LEU 75 -0.450 9.016 -1.666 640 HD21 LEU 75 1HD2 LEU 75 -2.212 12.195 -0.953 641 HD22 LEU 75 2HD2 LEU 75 -2.620 11.826 -2.640 642 HD23 LEU 75 3HD2 LEU 75 -1.452 13.099 -2.297 643 H ARG 76 H ARG 76 3.425 11.677 -0.338 644 HA ARG 76 HA ARG 76 3.188 13.649 1.761 645 HB2 ARG 76 1HB ARG 76 5.029 12.646 2.804 646 HB3 ARG 76 2HB ARG 76 4.189 11.325 2.003 647 HG2 ARG 76 1HG ARG 76 6.185 10.747 1.177 648 HG3 ARG 76 2HG ARG 76 6.036 12.143 0.128 649 HD2 ARG 76 1HD ARG 76 7.077 13.512 2.001 650 HD3 ARG 76 2HD ARG 76 7.527 11.949 2.713 651 HE ARG 76 HE ARG 76 8.279 12.042 -0.056 652 HH11 ARG 76 1HH1 ARG 76 9.305 13.332 3.065 653 HH12 ARG 76 2HH1 ARG 76 10.955 13.533 2.538 654 HH21 ARG 76 1HH2 ARG 76 10.349 12.378 -0.683 655 HH22 ARG 76 2HH2 ARG 76 11.546 12.974 0.450 656 H GLU 77 H GLU 77 4.645 13.744 -1.366 657 HA GLU 77 HA GLU 77 6.260 16.122 -0.555 658 HB2 GLU 77 1HB GLU 77 6.165 14.451 -3.077 659 HB3 GLU 77 2HB GLU 77 7.053 15.986 -2.966 660 HG2 GLU 77 1HG GLU 77 8.438 15.142 -1.180 661 HG3 GLU 77 2HG GLU 77 7.462 13.680 -1.063 662 H GLY 78 H GLY 78 3.137 15.585 -1.089 663 HA2 GLY 78 1HA GLY 78 2.496 17.448 -3.174 664 HA3 GLY 78 2HA GLY 78 1.392 16.790 -1.966 665 H THR 79 H THR 79 1.465 19.440 -3.067 666 HA THR 79 HA THR 79 2.593 21.216 -1.032 667 HB THR 79 HB THR 79 1.442 22.966 -2.536 668 HG1 THR 79 HG1 THR 79 0.130 22.191 -4.012 669 HG21 THR 79 1HG2 THR 79 3.343 21.011 -3.899 670 HG22 THR 79 2HG2 THR 79 3.834 22.330 -2.812 671 HG23 THR 79 3HG2 THR 79 3.053 22.701 -4.365 672 H GLU 80 H GLU 80 1.233 22.999 -0.152 673 HA GLU 80 HA GLU 80 -0.962 22.067 1.410 674 HB2 GLU 80 1HB GLU 80 0.374 23.955 2.088 675 HB3 GLU 80 2HB GLU 80 -0.003 24.839 0.611 676 HG2 GLU 80 1HG GLU 80 -2.195 25.332 1.301 677 HG3 GLU 80 2HG GLU 80 -2.182 24.083 2.551 678 H ASN 81 H ASN 81 -0.800 23.500 -1.807 679 HA ASN 81 HA ASN 81 -3.686 22.911 -2.099 680 HB2 ASN 81 1HB ASN 81 -3.437 25.356 -1.612 681 HB3 ASN 81 2HB ASN 81 -2.408 25.498 -3.048 682 HD21 ASN 81 1HD2 ASN 81 -6.417 25.411 -3.379 683 HD22 ASN 81 2HD2 ASN 81 -5.597 25.360 -1.837 684 H GLU 82 H GLU 82 -4.070 21.812 -3.879 685 HA GLU 82 HA GLU 82 -1.818 21.208 -5.625 686 HB2 GLU 82 1HB GLU 82 -3.237 19.424 -6.406 687 HB3 GLU 82 2HB GLU 82 -3.144 19.445 -4.657 688 HG2 GLU 82 1HG GLU 82 -5.372 20.485 -4.562 689 HG3 GLU 82 2HG GLU 82 -5.449 20.451 -6.332 690 H ARG 83 H ARG 83 -2.869 23.897 -5.999 691 HA ARG 83 HA ARG 83 -4.418 24.008 -8.435 692 HB2 ARG 83 1HB ARG 83 -2.931 25.840 -6.683 693 HB3 ARG 83 2HB ARG 83 -2.827 26.316 -8.373 694 HG2 ARG 83 1HG ARG 83 -5.242 26.406 -8.569 695 HG3 ARG 83 2HG ARG 83 -5.434 25.740 -6.934 696 HD2 ARG 83 1HD ARG 83 -4.263 27.719 -6.006 697 HD3 ARG 83 2HD ARG 83 -4.143 28.399 -7.643 698 HE ARG 83 HE ARG 83 -6.865 27.777 -7.115 699 HH11 ARG 83 1HH1 ARG 83 -4.436 30.092 -6.017 700 HH12 ARG 83 2HH1 ARG 83 -5.629 31.302 -5.630 701 HH21 ARG 83 1HH2 ARG 83 -8.332 29.363 -6.578 702 HH22 ARG 83 2HH2 ARG 83 -7.794 30.893 -5.943 703 H SER 84 H SER 84 -3.299 25.381 -10.334 704 HA SER 84 HA SER 84 -2.001 25.200 -12.232 705 HB2 SER 84 1HB SER 84 0.198 25.081 -10.142 706 HB3 SER 84 2HB SER 84 0.338 25.680 -11.812 707 HG SER 84 HG SER 84 0.025 27.366 -10.271 708 H ARG 85 H ARG 85 -2.955 22.897 -12.324 709 HA ARG 85 HA ARG 85 -2.777 20.780 -13.040 710 HB2 ARG 85 1HB ARG 85 -1.131 20.177 -14.443 711 HB3 ARG 85 2HB ARG 85 -0.735 21.887 -14.318 712 HG2 ARG 85 1HG ARG 85 1.385 21.183 -13.887 713 HG3 ARG 85 2HG ARG 85 0.806 20.802 -12.268 714 HD2 ARG 85 1HD ARG 85 0.151 18.486 -13.300 715 HD3 ARG 85 2HD ARG 85 1.288 18.939 -14.586 716 HE ARG 85 HE ARG 85 2.529 19.418 -12.069 717 HH11 ARG 85 1HH1 ARG 85 1.456 16.604 -13.931 718 HH12 ARG 85 2HH1 ARG 85 2.656 15.568 -13.209 719 HH21 ARG 85 1HH2 ARG 85 4.028 18.051 -11.234 720 HH22 ARG 85 2HH2 ARG 85 4.091 16.374 -11.708 721 H GLN 86 H GLN 86 -1.225 21.609 -10.082 722 HA GLN 86 HA GLN 86 -0.158 18.972 -9.617 723 HB2 GLN 86 1HB GLN 86 -0.827 21.181 -7.672 724 HB3 GLN 86 2HB GLN 86 0.028 19.703 -7.251 725 HG2 GLN 86 1HG GLN 86 0.993 21.763 -9.272 726 HG3 GLN 86 2HG GLN 86 1.557 21.615 -7.603 727 HE21 GLN 86 1HE2 GLN 86 3.360 18.548 -8.204 728 HE22 GLN 86 2HE2 GLN 86 2.344 19.327 -7.017 729 H LYS 87 H LYS 87 -3.351 19.584 -10.019 730 HA LYS 87 HA LYS 87 -4.662 18.481 -7.785 731 HB2 LYS 87 1HB LYS 87 -5.592 19.558 -9.975 732 HB3 LYS 87 2HB LYS 87 -5.627 17.902 -10.583 733 HG2 LYS 87 1HG LYS 87 -6.983 18.653 -7.951 734 HG3 LYS 87 2HG LYS 87 -7.787 18.937 -9.492 735 HD2 LYS 87 1HD LYS 87 -8.526 16.808 -9.543 736 HD3 LYS 87 2HD LYS 87 -6.863 16.209 -9.500 737 HE2 LYS 87 1HE LYS 87 -6.954 16.582 -6.941 738 HE3 LYS 87 2HE LYS 87 -8.700 16.789 -7.131 739 HZ1 LYS 87 1HZ LYS 87 -8.774 14.510 -8.050 740 HZ2 LYS 87 2HZ LYS 87 -8.128 14.510 -6.540 741 HZ3 LYS 87 3HZ LYS 87 -7.146 14.356 -7.846 742 H TYR 88 H TYR 88 -2.704 16.890 -10.166 743 HA TYR 88 HA TYR 88 -3.740 14.276 -9.844 744 HB2 TYR 88 1HB TYR 88 -1.827 13.502 -10.900 745 HB3 TYR 88 2HB TYR 88 -2.021 15.136 -11.547 746 HD1 TYR 88 HD1 TYR 88 0.172 12.842 -9.816 747 HD2 TYR 88 HD2 TYR 88 -0.591 17.018 -10.479 748 HE1 TYR 88 HE1 TYR 88 2.480 13.394 -9.071 749 HE2 TYR 88 HE2 TYR 88 1.701 17.555 -9.697 750 HH TYR 88 HH TYR 88 3.991 15.040 -8.581 751 H ALA 89 H ALA 89 -2.211 16.308 -7.462 752 HA ALA 89 HA ALA 89 -0.780 14.221 -6.088 753 HB1 ALA 89 1HB ALA 89 -0.796 15.814 -4.181 754 HB2 ALA 89 2HB ALA 89 -0.318 16.610 -5.699 755 HB3 ALA 89 3HB ALA 89 -1.962 16.843 -5.051 756 H GLU 90 H GLU 90 -4.061 15.734 -5.330 757 HA GLU 90 HA GLU 90 -4.523 13.601 -3.389 758 HB2 GLU 90 1HB GLU 90 -6.412 15.594 -4.669 759 HB3 GLU 90 2HB GLU 90 -6.903 14.410 -3.456 760 HG2 GLU 90 1HG GLU 90 -4.840 16.613 -3.053 761 HG3 GLU 90 2HG GLU 90 -6.493 16.597 -2.419 762 H GLU 91 H GLU 91 -4.753 13.863 -6.825 763 HA GLU 91 HA GLU 91 -6.662 11.716 -7.183 764 HB2 GLU 91 1HB GLU 91 -5.790 13.465 -8.888 765 HB3 GLU 91 2HB GLU 91 -4.430 12.365 -9.104 766 HG2 GLU 91 1HG GLU 91 -7.141 11.146 -9.276 767 HG3 GLU 91 2HG GLU 91 -6.732 12.307 -10.549 768 H GLU 92 H GLU 92 -3.147 11.923 -6.498 769 HA GLU 92 HA GLU 92 -2.627 9.137 -7.040 770 HB2 GLU 92 1HB GLU 92 -1.233 11.131 -5.234 771 HB3 GLU 92 2HB GLU 92 -0.694 9.479 -5.400 772 HG2 GLU 92 1HG GLU 92 -1.009 11.160 -7.883 773 HG3 GLU 92 2HG GLU 92 0.386 11.419 -6.836 774 H LEU 93 H LEU 93 -4.181 10.877 -4.371 775 HA LEU 93 HA LEU 93 -4.034 8.629 -2.516 776 HB2 LEU 93 1HB LEU 93 -4.430 11.045 -1.856 777 HB3 LEU 93 2HB LEU 93 -6.042 10.902 -2.531 778 HG LEU 93 HG LEU 93 -6.566 9.129 -0.874 779 HD11 LEU 93 1HD1 LEU 93 -3.820 9.829 0.261 780 HD12 LEU 93 2HD1 LEU 93 -4.330 8.253 -0.386 781 HD13 LEU 93 3HD1 LEU 93 -5.063 8.869 1.102 782 HD21 LEU 93 1HD2 LEU 93 -7.138 11.484 -0.479 783 HD22 LEU 93 2HD2 LEU 93 -5.551 11.768 0.258 784 HD23 LEU 93 3HD2 LEU 93 -6.721 10.674 1.045 785 H GLU 94 H GLU 94 -6.306 9.783 -4.994 786 HA GLU 94 HA GLU 94 -8.377 7.862 -4.405 787 HB2 GLU 94 1HB GLU 94 -7.632 9.204 -7.038 788 HB3 GLU 94 2HB GLU 94 -9.127 8.314 -6.736 789 HG2 GLU 94 1HG GLU 94 -9.772 9.953 -5.005 790 HG3 GLU 94 2HG GLU 94 -8.256 10.824 -5.246 791 H GLN 95 H GLN 95 -5.409 7.871 -6.375 792 HA GLN 95 HA GLN 95 -5.760 5.195 -7.395 793 HB2 GLN 95 1HB GLN 95 -3.319 6.955 -7.085 794 HB3 GLN 95 2HB GLN 95 -3.298 5.364 -7.829 795 HG2 GLN 95 1HG GLN 95 -4.936 6.139 -9.520 796 HG3 GLN 95 2HG GLN 95 -4.877 7.754 -8.806 797 HE21 GLN 95 1HE2 GLN 95 -2.265 8.629 -10.916 798 HE22 GLN 95 2HE2 GLN 95 -3.837 9.007 -10.250 799 H VAL 96 H VAL 96 -4.285 6.447 -4.363 800 HA VAL 96 HA VAL 96 -3.079 3.959 -3.523 801 HB VAL 96 HB VAL 96 -4.283 6.295 -1.942 802 HG11 VAL 96 1HG1 VAL 96 -3.223 5.268 0.114 803 HG12 VAL 96 2HG1 VAL 96 -4.655 4.415 -0.481 804 HG13 VAL 96 3HG1 VAL 96 -3.038 3.763 -0.805 805 HG21 VAL 96 1HG2 VAL 96 -1.441 5.304 -2.214 806 HG22 VAL 96 2HG2 VAL 96 -2.153 6.691 -3.058 807 HG23 VAL 96 3HG2 VAL 96 -1.986 6.731 -1.304 808 H ARG 97 H ARG 97 -6.332 5.397 -3.150 809 HA ARG 97 HA ARG 97 -7.395 3.250 -1.617 810 HB2 ARG 97 1HB ARG 97 -8.476 5.501 -1.997 811 HB3 ARG 97 2HB ARG 97 -8.936 4.940 -3.613 812 HG2 ARG 97 1HG ARG 97 -10.190 3.070 -2.596 813 HG3 ARG 97 2HG ARG 97 -9.738 3.657 -0.985 814 HD2 ARG 97 1HD ARG 97 -10.886 5.797 -1.480 815 HD3 ARG 97 2HD ARG 97 -11.394 5.131 -3.050 816 HE ARG 97 HE ARG 97 -12.135 3.313 -0.990 817 HH11 ARG 97 1HH1 ARG 97 -13.091 6.484 -2.203 818 HH12 ARG 97 2HH1 ARG 97 -14.722 6.326 -1.607 819 HH21 ARG 97 1HH2 ARG 97 -14.222 3.171 -0.262 820 HH22 ARG 97 2HH2 ARG 97 -15.354 4.467 -0.538 821 H GLU 98 H GLU 98 -7.197 3.715 -5.190 822 HA GLU 98 HA GLU 98 -8.591 1.220 -5.647 823 HB2 GLU 98 1HB GLU 98 -8.436 3.124 -7.263 824 HB3 GLU 98 2HB GLU 98 -6.759 2.661 -7.575 825 HG2 GLU 98 1HG GLU 98 -8.272 1.769 -9.307 826 HG3 GLU 98 2HG GLU 98 -7.505 0.458 -8.406 827 H ALA 99 H ALA 99 -5.170 2.029 -5.101 828 HA ALA 99 HA ALA 99 -4.005 -0.474 -5.935 829 HB1 ALA 99 1HB ALA 99 -3.097 1.218 -3.597 830 HB2 ALA 99 2HB ALA 99 -2.131 0.145 -4.628 831 HB3 ALA 99 3HB ALA 99 -2.793 1.662 -5.285 832 H LEU 100 H LEU 100 -5.187 0.746 -2.766 833 HA LEU 100 HA LEU 100 -4.876 -1.724 -1.365 834 HB2 LEU 100 1HB LEU 100 -6.719 0.648 -0.948 835 HB3 LEU 100 2HB LEU 100 -6.652 -0.713 0.171 836 HG LEU 100 HG LEU 100 -4.234 0.985 -0.525 837 HD11 LEU 100 1HD1 LEU 100 -6.122 1.215 1.851 838 HD12 LEU 100 2HD1 LEU 100 -5.977 2.377 0.508 839 HD13 LEU 100 3HD1 LEU 100 -4.609 2.127 1.612 840 HD21 LEU 100 1HD2 LEU 100 -3.347 0.028 1.597 841 HD22 LEU 100 2HD2 LEU 100 -3.660 -1.216 0.380 842 HD23 LEU 100 3HD2 LEU 100 -4.801 -0.993 1.730 843 H ARG 101 H ARG 101 -7.632 -0.345 -3.171 844 HA ARG 101 HA ARG 101 -9.482 -2.429 -2.537 845 HB2 ARG 101 1HB ARG 101 -9.849 -0.123 -3.579 846 HB3 ARG 101 2HB ARG 101 -9.383 -0.854 -5.113 847 HG2 ARG 101 1HG ARG 101 -11.279 -2.513 -4.690 848 HG3 ARG 101 2HG ARG 101 -11.793 -1.407 -3.394 849 HD2 ARG 101 1HD ARG 101 -11.767 0.459 -5.003 850 HD3 ARG 101 2HD ARG 101 -11.272 -0.660 -6.278 851 HE ARG 101 HE ARG 101 -13.724 -1.510 -5.051 852 HH11 ARG 101 1HH1 ARG 101 -12.392 0.788 -7.402 853 HH12 ARG 101 2HH1 ARG 101 -13.915 0.926 -8.256 854 HH21 ARG 101 1HH2 ARG 101 -15.626 -1.284 -6.200 855 HH22 ARG 101 2HH2 ARG 101 -15.707 -0.237 -7.591 856 H LYS 102 H LYS 102 -6.988 -2.157 -5.083 857 HA LYS 102 HA LYS 102 -7.852 -4.507 -6.517 858 HB2 LYS 102 1HB LYS 102 -6.312 -2.850 -7.502 859 HB3 LYS 102 2HB LYS 102 -5.108 -3.228 -6.277 860 HG2 LYS 102 1HG LYS 102 -4.453 -4.308 -8.305 861 HG3 LYS 102 2HG LYS 102 -4.972 -5.564 -7.173 862 HD2 LYS 102 1HD LYS 102 -7.131 -5.750 -8.320 863 HD3 LYS 102 2HD LYS 102 -6.699 -4.396 -9.386 864 HE2 LYS 102 1HE LYS 102 -6.330 -6.439 -10.611 865 HE3 LYS 102 2HE LYS 102 -4.749 -5.735 -10.220 866 HZ1 LYS 102 1HZ LYS 102 -4.783 -8.110 -9.815 867 HZ2 LYS 102 2HZ LYS 102 -6.034 -7.964 -8.749 868 HZ3 LYS 102 3HZ LYS 102 -4.562 -7.314 -8.388 869 H ALA 103 H ALA 103 -5.582 -3.916 -3.803 870 HA ALA 103 HA ALA 103 -4.796 -6.656 -3.527 871 HB1 ALA 103 1HB ALA 103 -3.596 -4.759 -2.452 872 HB2 ALA 103 2HB ALA 103 -4.988 -4.492 -1.379 873 HB3 ALA 103 3HB ALA 103 -4.064 -6.002 -1.270 874 H GLU 104 H GLU 104 -7.542 -4.782 -2.136 875 HA GLU 104 HA GLU 104 -8.566 -6.771 -0.399 876 HB2 GLU 104 1HB GLU 104 -9.992 -4.699 -2.094 877 HB3 GLU 104 2HB GLU 104 -10.841 -5.732 -0.957 878 HG2 GLU 104 1HG GLU 104 -9.685 -4.757 0.918 879 HG3 GLU 104 2HG GLU 104 -8.616 -3.844 -0.148 880 H LYS 105 H LYS 105 -9.331 -6.211 -3.880 881 HA LYS 105 HA LYS 105 -11.207 -8.344 -4.129 882 HB2 LYS 105 1HB LYS 105 -9.225 -7.296 -6.183 883 HB3 LYS 105 2HB LYS 105 -10.620 -8.304 -6.561 884 HG2 LYS 105 1HG LYS 105 -12.147 -6.562 -6.148 885 HG3 LYS 105 2HG LYS 105 -10.979 -5.650 -5.182 886 HD2 LYS 105 1HD LYS 105 -9.560 -5.578 -7.366 887 HD3 LYS 105 2HD LYS 105 -11.084 -5.970 -8.183 888 HE2 LYS 105 1HE LYS 105 -12.122 -3.964 -7.272 889 HE3 LYS 105 2HE LYS 105 -10.703 -3.663 -6.250 890 HZ1 LYS 105 1HZ LYS 105 -10.782 -3.517 -9.198 891 HZ2 LYS 105 2HZ LYS 105 -9.397 -3.429 -8.308 892 HZ3 LYS 105 3HZ LYS 105 -10.539 -2.262 -8.147 893 H GLU 106 H GLU 106 -7.671 -8.300 -4.579 894 HA GLU 106 HA GLU 106 -7.434 -11.000 -5.508 895 HB2 GLU 106 1HB GLU 106 -5.537 -9.185 -3.976 896 HB3 GLU 106 2HB GLU 106 -5.074 -10.777 -4.574 897 HG2 GLU 106 1HG GLU 106 -5.388 -10.084 -6.856 898 HG3 GLU 106 2HG GLU 106 -6.071 -8.538 -6.341 899 H LEU 107 H LEU 107 -7.019 -9.525 -2.259 900 HA LEU 107 HA LEU 107 -6.514 -12.007 -0.981 901 HB2 LEU 107 1HB LEU 107 -7.519 -9.338 0.023 902 HB3 LEU 107 2HB LEU 107 -7.193 -10.703 1.090 903 HG LEU 107 HG LEU 107 -5.140 -9.488 -0.776 904 HD11 LEU 107 1HD1 LEU 107 -5.399 -9.119 2.229 905 HD12 LEU 107 2HD1 LEU 107 -5.824 -7.902 1.002 906 HD13 LEU 107 3HD1 LEU 107 -4.145 -8.445 1.178 907 HD21 LEU 107 1HD2 LEU 107 -5.060 -11.722 1.265 908 HD22 LEU 107 2HD2 LEU 107 -3.595 -10.803 0.877 909 HD23 LEU 107 3HD2 LEU 107 -4.438 -11.696 -0.395 910 H GLU 108 H GLU 108 -9.624 -10.366 -1.647 911 HA GLU 108 HA GLU 108 -11.221 -12.135 -0.046 912 HB2 GLU 108 1HB GLU 108 -11.756 -10.612 -2.612 913 HB3 GLU 108 2HB GLU 108 -12.985 -11.630 -1.857 914 HG2 GLU 108 1HG GLU 108 -12.940 -10.278 0.163 915 HG3 GLU 108 2HG GLU 108 -11.634 -9.285 -0.491 916 H SER 109 H SER 109 -10.196 -12.268 -3.492 917 HA SER 109 HA SER 109 -11.477 -14.737 -4.054 918 HB2 SER 109 1HB SER 109 -10.137 -14.825 -6.053 919 HB3 SER 109 2HB SER 109 -10.664 -13.159 -5.766 920 HG SER 109 HG SER 109 -8.433 -13.089 -4.618 921 H HIS 110 H HIS 110 -8.224 -14.139 -2.679 922 HA HIS 110 HA HIS 110 -7.478 -16.951 -2.960 923 HB2 HIS 110 1HB HIS 110 -6.295 -14.793 -1.162 924 HB3 HIS 110 2HB HIS 110 -5.547 -16.339 -1.578 925 HD1 HIS 110 HD1 HIS 110 -5.598 -16.461 -4.610 926 HD2 HIS 110 HD2 HIS 110 -4.997 -12.897 -2.500 927 HE1 HIS 110 HE1 HIS 110 -4.403 -14.870 -6.158 928 H SER 111 H SER 111 -9.320 -15.045 -0.711 929 HA SER 111 HA SER 111 -9.075 -17.111 1.434 930 HB2 SER 111 1HB SER 111 -10.150 -15.420 2.853 931 HB3 SER 111 2HB SER 111 -8.712 -14.743 2.054 932 HG SER 111 HG SER 111 -10.048 -13.749 0.547 933 H SER 112 H SER 112 -10.929 -16.725 -1.230 934 HA SER 112 HA SER 112 -13.588 -16.739 -0.225 935 HB2 SER 112 1HB SER 112 -12.447 -17.915 -2.773 936 HB3 SER 112 2HB SER 112 -14.175 -17.645 -2.446 937 HG SER 112 HG SER 112 -12.455 -15.479 -2.013 938 H TRP 113 H TRP 113 -11.240 -19.170 0.048 939 HA TRP 113 HA TRP 113 -11.230 -21.207 1.029 940 HB2 TRP 113 1HB TRP 113 -12.448 -20.322 2.832 941 HB3 TRP 113 2HB TRP 113 -13.955 -20.265 1.926 942 HD1 TRP 113 HD1 TRP 113 -11.727 -22.772 3.799 943 HE1 TRP 113 HE1 TRP 113 -12.998 -24.920 4.274 944 HE3 TRP 113 HE3 TRP 113 -15.946 -21.665 1.131 945 HZ2 TRP 113 HZ2 TRP 113 -15.546 -26.014 3.608 946 HZ3 TRP 113 HZ3 TRP 113 -17.806 -23.346 1.081 947 HH2 TRP 113 HH2 TRP 113 -17.593 -25.503 2.318 948 H TYR 114 H TYR 114 -11.882 -23.439 0.966 949 HA TYR 114 HA TYR 114 -13.950 -24.204 -0.967 950 HB2 TYR 114 1HB TYR 114 -12.197 -23.899 -2.528 951 HB3 TYR 114 2HB TYR 114 -11.013 -24.660 -1.475 952 HD1 TYR 114 HD1 TYR 114 -10.348 -26.831 -1.956 953 HD2 TYR 114 HD2 TYR 114 -14.289 -25.555 -3.126 954 HE1 TYR 114 HE1 TYR 114 -10.740 -29.033 -3.057 955 HE2 TYR 114 HE2 TYR 114 -14.672 -27.765 -4.226 956 HH TYR 114 HH TYR 114 -12.187 -30.334 -4.229 957 H ALA 115 H ALA 115 -11.180 -25.397 1.038 958 HA ALA 115 HA ALA 115 -13.003 -27.482 2.093 959 HB1 ALA 115 1HB ALA 115 -10.317 -28.089 0.771 960 HB2 ALA 115 2HB ALA 115 -11.300 -29.259 1.682 961 HB3 ALA 115 3HB ALA 115 -11.924 -28.563 0.166 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 4.408 40.549 0.805 2 H2 GLY 1 2H GLY 1 5.368 41.178 1.990 3 H3 GLY 1 3H GLY 1 4.357 39.917 2.326 4 HA2 GLY 1 1HA GLY 1 6.662 39.818 0.500 5 HA3 GLY 1 2HA GLY 1 6.626 39.156 2.146 6 H SER 2 H SER 2 7.248 37.490 -0.014 7 HA SER 2 HA SER 2 4.909 36.171 -1.056 8 HB2 SER 2 1HB SER 2 7.072 36.079 -2.202 9 HB3 SER 2 2HB SER 2 7.813 35.305 -0.788 10 HG SER 2 HG SER 2 7.349 33.632 -2.047 11 HA PRO 3 HA PRO 3 3.906 33.665 2.471 12 HB2 PRO 3 1HB PRO 3 3.298 31.471 0.493 13 HB3 PRO 3 2HB PRO 3 2.252 32.160 1.772 14 HG2 PRO 3 1HG PRO 3 1.794 32.752 -0.745 15 HG3 PRO 3 2HG PRO 3 1.746 34.043 0.500 16 HD2 PRO 3 1HD PRO 3 3.980 33.337 -1.410 17 HD3 PRO 3 2HD PRO 3 3.252 34.942 -1.045 18 H GLU 4 H GLU 4 5.736 32.133 -0.155 19 HA GLU 4 HA GLU 4 7.443 30.653 -0.241 20 HB2 GLU 4 1HB GLU 4 8.072 31.968 2.425 21 HB3 GLU 4 2HB GLU 4 9.173 30.868 1.601 22 HG2 GLU 4 1HG GLU 4 8.159 33.500 0.537 23 HG3 GLU 4 2HG GLU 4 9.795 33.133 1.111 24 H PHE 5 H PHE 5 8.861 29.050 1.117 25 HA PHE 5 HA PHE 5 7.339 26.745 1.659 26 HB2 PHE 5 1HB PHE 5 9.804 26.864 1.197 27 HB3 PHE 5 2HB PHE 5 10.048 27.514 2.822 28 HD1 PHE 5 HD1 PHE 5 9.649 26.069 4.829 29 HD2 PHE 5 HD2 PHE 5 9.398 24.511 0.824 30 HE1 PHE 5 HE1 PHE 5 9.806 23.753 5.727 31 HE2 PHE 5 HE2 PHE 5 9.574 22.191 1.712 32 HZ PHE 5 HZ PHE 5 9.761 21.806 4.168 33 H ASN 6 H ASN 6 8.295 29.441 3.743 34 HA ASN 6 HA ASN 6 7.708 28.343 6.270 35 HB2 ASN 6 1HB ASN 6 8.722 30.570 5.934 36 HB3 ASN 6 2HB ASN 6 7.203 31.175 5.256 37 HD21 ASN 6 1HD2 ASN 6 7.727 30.881 9.268 38 HD22 ASN 6 2HD2 ASN 6 8.925 30.298 8.139 39 H ARG 7 H ARG 7 5.410 30.319 4.218 40 HA ARG 7 HA ARG 7 3.263 29.442 5.994 41 HB2 ARG 7 1HB ARG 7 3.134 30.967 3.392 42 HB3 ARG 7 2HB ARG 7 1.776 30.699 4.478 43 HG2 ARG 7 1HG ARG 7 4.299 32.268 5.154 44 HG3 ARG 7 2HG ARG 7 2.716 32.958 4.759 45 HD2 ARG 7 1HD ARG 7 1.752 31.792 6.744 46 HD3 ARG 7 2HD ARG 7 3.377 31.198 7.150 47 HE ARG 7 HE ARG 7 3.377 34.053 6.853 48 HH11 ARG 7 1HH1 ARG 7 2.502 31.517 9.142 49 HH12 ARG 7 2HH1 ARG 7 2.652 32.574 10.519 50 HH21 ARG 7 1HH2 ARG 7 3.560 35.343 8.658 51 HH22 ARG 7 2HH2 ARG 7 3.246 34.699 10.246 52 H TYR 8 H TYR 8 4.769 27.944 3.340 53 HA TYR 8 HA TYR 8 2.321 26.497 2.526 54 HB2 TYR 8 1HB TYR 8 3.641 26.605 0.694 55 HB3 TYR 8 2HB TYR 8 5.089 26.877 1.642 56 HD1 TYR 8 HD1 TYR 8 3.413 24.585 -0.483 57 HD2 TYR 8 HD2 TYR 8 6.198 24.757 2.794 58 HE1 TYR 8 HE1 TYR 8 4.286 22.329 -1.086 59 HE2 TYR 8 HE2 TYR 8 7.041 22.497 2.181 60 HH TYR 8 HH TYR 8 5.736 20.679 -0.597 61 H SER 9 H SER 9 4.850 26.253 4.916 62 HA SER 9 HA SER 9 5.092 23.462 5.093 63 HB2 SER 9 1HB SER 9 6.061 23.813 7.280 64 HB3 SER 9 2HB SER 9 6.621 25.073 6.164 65 HG SER 9 HG SER 9 5.340 26.547 7.155 66 H LYS 10 H LYS 10 2.625 25.496 6.751 67 HA LYS 10 HA LYS 10 1.951 23.473 8.616 68 HB2 LYS 10 1HB LYS 10 0.162 24.752 9.291 69 HB3 LYS 10 2HB LYS 10 1.294 25.941 8.668 70 HG2 LYS 10 1HG LYS 10 -1.205 24.943 7.220 71 HG3 LYS 10 2HG LYS 10 -1.082 26.452 8.122 72 HD2 LYS 10 1HD LYS 10 0.619 27.288 6.544 73 HD3 LYS 10 2HD LYS 10 0.534 25.774 5.636 74 HE2 LYS 10 1HE LYS 10 -2.059 26.358 5.522 75 HE3 LYS 10 2HE LYS 10 -1.469 28.006 5.792 76 HZ1 LYS 10 1HZ LYS 10 0.020 27.664 3.846 77 HZ2 LYS 10 2HZ LYS 10 -1.575 27.555 3.430 78 HZ3 LYS 10 3HZ LYS 10 -0.657 26.193 3.559 79 H GLU 11 H GLU 11 0.535 24.038 5.380 80 HA GLU 11 HA GLU 11 -1.313 21.807 5.790 81 HB2 GLU 11 1HB GLU 11 -0.756 23.732 3.553 82 HB3 GLU 11 2HB GLU 11 -1.736 22.287 3.274 83 HG2 GLU 11 1HG GLU 11 -2.316 24.372 5.383 84 HG3 GLU 11 2HG GLU 11 -3.044 24.361 3.774 85 H HIS 12 H HIS 12 1.854 22.430 4.205 86 HA HIS 12 HA HIS 12 1.875 19.910 2.828 87 HB2 HIS 12 1HB HIS 12 3.547 21.582 2.310 88 HB3 HIS 12 2HB HIS 12 4.154 21.546 3.971 89 HD1 HIS 12 HD1 HIS 12 3.474 18.623 1.540 90 HD2 HIS 12 HD2 HIS 12 6.517 20.293 3.864 91 HE1 HIS 12 HE1 HIS 12 5.475 17.079 1.375 92 H MET 13 H MET 13 2.883 20.860 6.158 93 HA MET 13 HA MET 13 3.801 18.245 6.866 94 HB2 MET 13 1HB MET 13 2.732 20.542 8.526 95 HB3 MET 13 2HB MET 13 3.284 19.020 9.236 96 HG2 MET 13 1HG MET 13 5.520 19.344 8.278 97 HG3 MET 13 2HG MET 13 4.989 20.843 7.510 98 HE1 MET 13 1HE MET 13 4.515 19.266 11.206 99 HE2 MET 13 2HE MET 13 6.224 19.089 10.741 100 HE3 MET 13 3HE MET 13 5.766 20.215 12.041 101 H LYS 14 H LYS 14 0.546 19.774 7.002 102 HA LYS 14 HA LYS 14 -0.672 17.539 8.347 103 HB2 LYS 14 1HB LYS 14 -1.650 19.853 8.012 104 HB3 LYS 14 2HB LYS 14 -1.983 19.398 6.338 105 HG2 LYS 14 1HG LYS 14 -3.406 17.510 7.182 106 HG3 LYS 14 2HG LYS 14 -3.087 18.061 8.837 107 HD2 LYS 14 1HD LYS 14 -5.174 19.010 8.311 108 HD3 LYS 14 2HD LYS 14 -4.017 20.337 8.081 109 HE2 LYS 14 1HE LYS 14 -3.967 19.760 5.619 110 HE3 LYS 14 2HE LYS 14 -5.271 18.592 5.921 111 HZ1 LYS 14 1HZ LYS 14 -6.110 20.727 5.181 112 HZ2 LYS 14 2HZ LYS 14 -5.371 21.509 6.419 113 HZ3 LYS 14 3HZ LYS 14 -6.613 20.456 6.735 114 H LYS 15 H LYS 15 -0.217 18.318 4.869 115 HA LYS 15 HA LYS 15 -1.626 16.035 3.881 116 HB2 LYS 15 1HB LYS 15 0.213 18.082 2.814 117 HB3 LYS 15 2HB LYS 15 0.369 16.522 2.013 118 HG2 LYS 15 1HG LYS 15 -2.281 17.955 2.380 119 HG3 LYS 15 2HG LYS 15 -1.260 18.132 0.943 120 HD2 LYS 15 1HD LYS 15 -2.141 15.391 1.883 121 HD3 LYS 15 2HD LYS 15 -3.197 16.399 0.881 122 HE2 LYS 15 1HE LYS 15 -1.628 16.429 -0.915 123 HE3 LYS 15 2HE LYS 15 -0.341 15.739 0.103 124 HZ1 LYS 15 1HZ LYS 15 -1.353 14.074 -1.320 125 HZ2 LYS 15 2HZ LYS 15 -2.839 14.345 -0.653 126 HZ3 LYS 15 3HZ LYS 15 -1.604 13.708 0.267 127 H MET 16 H MET 16 1.898 16.555 4.461 128 HA MET 16 HA MET 16 2.527 13.878 3.699 129 HB2 MET 16 1HB MET 16 4.700 14.293 4.331 130 HB3 MET 16 2HB MET 16 4.110 15.910 3.945 131 HG2 MET 16 1HG MET 16 3.756 16.311 6.366 132 HG3 MET 16 2HG MET 16 4.408 14.705 6.714 133 HE1 MET 16 1HE MET 16 5.594 17.075 8.208 134 HE2 MET 16 2HE MET 16 6.351 15.467 8.290 135 HE3 MET 16 3HE MET 16 7.349 16.903 7.963 136 H MET 17 H MET 17 1.291 15.235 6.747 137 HA MET 17 HA MET 17 1.991 12.957 8.351 138 HB2 MET 17 1HB MET 17 1.129 15.122 9.270 139 HB3 MET 17 2HB MET 17 -0.459 14.733 8.608 140 HG2 MET 17 1HG MET 17 -0.540 12.708 10.033 141 HG3 MET 17 2HG MET 17 1.041 13.145 10.707 142 HE1 MET 17 1HE MET 17 -3.003 15.267 11.507 143 HE2 MET 17 2HE MET 17 -2.362 15.144 9.852 144 HE3 MET 17 3HE MET 17 -2.785 13.668 10.755 145 H LYS 18 H LYS 18 -0.883 13.734 6.295 146 HA LYS 18 HA LYS 18 -2.202 11.198 6.787 147 HB2 LYS 18 1HB LYS 18 -2.279 12.940 4.285 148 HB3 LYS 18 2HB LYS 18 -3.368 11.608 4.641 149 HG2 LYS 18 1HG LYS 18 -4.098 12.968 6.689 150 HG3 LYS 18 2HG LYS 18 -3.261 14.332 5.916 151 HD2 LYS 18 1HD LYS 18 -5.469 12.634 4.655 152 HD3 LYS 18 2HD LYS 18 -5.687 14.265 5.305 153 HE2 LYS 18 1HE LYS 18 -4.150 15.171 3.568 154 HE3 LYS 18 2HE LYS 18 -3.876 13.534 2.940 155 HZ1 LYS 18 1HZ LYS 18 -6.512 14.894 2.962 156 HZ2 LYS 18 2HZ LYS 18 -6.197 13.402 2.340 157 HZ3 LYS 18 3HZ LYS 18 -5.546 14.739 1.636 158 H ASP 19 H ASP 19 -0.077 12.398 4.194 159 HA ASP 19 HA ASP 19 -0.317 10.057 2.605 160 HB2 ASP 19 1HB ASP 19 1.869 12.162 2.623 161 HB3 ASP 19 2HB ASP 19 1.570 11.002 1.324 162 H LEU 20 H LEU 20 2.022 10.872 5.193 163 HA LEU 20 HA LEU 20 3.680 8.597 4.323 164 HB2 LEU 20 1HB LEU 20 4.050 10.738 6.376 165 HB3 LEU 20 2HB LEU 20 5.030 9.288 6.407 166 HG LEU 20 HG LEU 20 6.113 9.764 4.403 167 HD11 LEU 20 1HD1 LEU 20 4.376 10.295 2.815 168 HD12 LEU 20 2HD1 LEU 20 5.450 11.701 2.877 169 HD13 LEU 20 3HD1 LEU 20 3.913 11.755 3.725 170 HD21 LEU 20 1HD2 LEU 20 6.948 12.073 4.686 171 HD22 LEU 20 2HD2 LEU 20 6.781 11.234 6.244 172 HD23 LEU 20 3HD2 LEU 20 5.570 12.437 5.745 173 H GLU 21 H GLU 21 1.296 9.239 6.900 174 HA GLU 21 HA GLU 21 2.052 6.777 8.264 175 HB2 GLU 21 1HB GLU 21 0.031 6.936 9.516 176 HB3 GLU 21 2HB GLU 21 0.721 8.545 9.400 177 HG2 GLU 21 1HG GLU 21 -1.550 8.933 9.133 178 HG3 GLU 21 2HG GLU 21 -0.952 8.942 7.477 179 H GLY 22 H GLY 22 -0.006 7.803 5.568 180 HA2 GLY 22 1HA GLY 22 -1.150 5.234 5.039 181 HA3 GLY 22 2HA GLY 22 -0.984 6.573 3.890 182 H LEU 23 H LEU 23 1.900 6.787 4.056 183 HA LEU 23 HA LEU 23 2.667 4.864 2.092 184 HB2 LEU 23 1HB LEU 23 3.614 7.171 2.691 185 HB3 LEU 23 2HB LEU 23 4.514 6.373 3.956 186 HG LEU 23 HG LEU 23 4.825 5.906 0.973 187 HD11 LEU 23 1HD1 LEU 23 6.431 7.492 3.034 188 HD12 LEU 23 2HD1 LEU 23 5.494 8.146 1.664 189 HD13 LEU 23 3HD1 LEU 23 6.952 7.181 1.365 190 HD21 LEU 23 1HD2 LEU 23 5.578 3.897 2.069 191 HD22 LEU 23 2HD2 LEU 23 6.294 4.801 3.421 192 HD23 LEU 23 3HD2 LEU 23 7.047 4.855 1.822 193 H HIS 24 H HIS 24 3.308 5.117 5.618 194 HA HIS 24 HA HIS 24 4.795 2.664 5.719 195 HB2 HIS 24 1HB HIS 24 4.746 4.538 7.445 196 HB3 HIS 24 2HB HIS 24 3.208 3.865 8.001 197 HD1 HIS 24 HD1 HIS 24 6.315 1.834 6.959 198 HD2 HIS 24 HD2 HIS 24 4.046 2.767 10.355 199 HE1 HIS 24 HE1 HIS 24 7.156 0.380 8.850 200 H ARG 25 H ARG 25 1.305 3.460 6.017 201 HA ARG 25 HA ARG 25 0.531 0.760 6.673 202 HB2 ARG 25 1HB ARG 25 -0.947 3.084 5.458 203 HB3 ARG 25 2HB ARG 25 -1.675 1.481 5.582 204 HG2 ARG 25 1HG ARG 25 -1.186 1.525 8.050 205 HG3 ARG 25 2HG ARG 25 -0.742 3.231 7.869 206 HD2 ARG 25 1HD ARG 25 -3.429 2.028 7.089 207 HD3 ARG 25 2HD ARG 25 -3.103 2.880 8.604 208 HE ARG 25 HE ARG 25 -2.881 4.943 7.444 209 HH11 ARG 25 1HH1 ARG 25 -3.815 2.325 5.225 210 HH12 ARG 25 2HH1 ARG 25 -4.353 3.441 4.003 211 HH21 ARG 25 1HH2 ARG 25 -3.598 6.276 5.859 212 HH22 ARG 25 2HH2 ARG 25 -4.246 5.633 4.357 213 H ALA 26 H ALA 26 1.404 2.303 3.595 214 HA ALA 26 HA ALA 26 0.300 0.164 1.983 215 HB1 ALA 26 1HB ALA 26 1.632 1.103 0.168 216 HB2 ALA 26 2HB ALA 26 0.852 2.422 1.070 217 HB3 ALA 26 3HB ALA 26 2.582 2.077 1.312 218 H GLU 27 H GLU 27 3.419 0.768 3.648 219 HA GLU 27 HA GLU 27 4.727 -1.590 2.569 220 HB2 GLU 27 1HB GLU 27 5.173 -0.041 5.135 221 HB3 GLU 27 2HB GLU 27 6.263 -1.291 4.523 222 HG2 GLU 27 1HG GLU 27 6.768 0.014 2.545 223 HG3 GLU 27 2HG GLU 27 5.519 1.197 2.935 224 H GLN 28 H GLN 28 2.793 -0.878 5.461 225 HA GLN 28 HA GLN 28 2.823 -3.519 6.567 226 HB2 GLN 28 1HB GLN 28 0.766 -1.299 6.727 227 HB3 GLN 28 2HB GLN 28 0.648 -2.801 7.636 228 HG2 GLN 28 1HG GLN 28 2.575 -2.300 8.930 229 HG3 GLN 28 2HG GLN 28 3.054 -0.984 7.853 230 HE21 GLN 28 1HE2 GLN 28 1.496 1.354 9.857 231 HE22 GLN 28 2HE2 GLN 28 2.869 0.867 8.886 232 H SER 29 H SER 29 0.904 -1.986 3.943 233 HA SER 29 HA SER 29 -0.972 -4.145 3.816 234 HB2 SER 29 1HB SER 29 -1.831 -3.198 1.865 235 HB3 SER 29 2HB SER 29 -1.257 -1.809 2.802 236 HG SER 29 HG SER 29 0.670 -1.889 1.483 237 H LEU 30 H LEU 30 2.122 -3.571 1.973 238 HA LEU 30 HA LEU 30 1.820 -5.984 0.391 239 HB2 LEU 30 1HB LEU 30 4.392 -5.990 0.504 240 HB3 LEU 30 2HB LEU 30 3.523 -4.853 -0.477 241 HG LEU 30 HG LEU 30 4.065 -3.454 1.847 242 HD11 LEU 30 1HD1 LEU 30 6.478 -5.089 0.998 243 HD12 LEU 30 2HD1 LEU 30 5.605 -5.235 2.541 244 HD13 LEU 30 3HD1 LEU 30 6.485 -3.747 2.168 245 HD21 LEU 30 1HD2 LEU 30 5.352 -3.453 -0.878 246 HD22 LEU 30 2HD2 LEU 30 5.831 -2.317 0.403 247 HD23 LEU 30 3HD2 LEU 30 4.170 -2.320 -0.200 248 H HIS 31 H HIS 31 3.301 -5.380 3.687 249 HA HIS 31 HA HIS 31 3.761 -8.260 3.798 250 HB2 HIS 31 1HB HIS 31 4.066 -6.123 5.868 251 HB3 HIS 31 2HB HIS 31 4.307 -7.846 6.207 252 HD1 HIS 31 HD1 HIS 31 5.554 -8.343 3.163 253 HD2 HIS 31 HD2 HIS 31 6.881 -5.671 6.134 254 HE1 HIS 31 HE1 HIS 31 8.016 -7.878 2.709 255 H ASP 32 H ASP 32 0.970 -6.349 4.711 256 HA ASP 32 HA ASP 32 -0.257 -8.464 6.274 257 HB2 ASP 32 1HB ASP 32 -1.128 -6.107 6.270 258 HB3 ASP 32 2HB ASP 32 -1.578 -6.308 4.569 259 H LEU 33 H LEU 33 -0.108 -7.520 2.819 260 HA LEU 33 HA LEU 33 -1.931 -9.467 1.860 261 HB2 LEU 33 1HB LEU 33 0.398 -7.961 0.681 262 HB3 LEU 33 2HB LEU 33 -0.171 -9.370 -0.181 263 HG LEU 33 HG LEU 33 -2.030 -8.345 -0.958 264 HD11 LEU 33 1HD1 LEU 33 -3.291 -6.480 0.176 265 HD12 LEU 33 2HD1 LEU 33 -2.208 -6.635 1.564 266 HD13 LEU 33 3HD1 LEU 33 -3.269 -7.979 1.106 267 HD21 LEU 33 1HD2 LEU 33 -0.478 -5.842 -0.179 268 HD22 LEU 33 2HD2 LEU 33 -1.573 -6.039 -1.556 269 HD23 LEU 33 3HD2 LEU 33 -0.039 -6.909 -1.523 270 H GLN 34 H GLN 34 1.640 -9.672 2.405 271 HA GLN 34 HA GLN 34 1.747 -12.458 1.747 272 HB2 GLN 34 1HB GLN 34 3.459 -10.686 3.494 273 HB3 GLN 34 2HB GLN 34 3.709 -12.433 3.475 274 HG2 GLN 34 1HG GLN 34 5.189 -11.829 1.869 275 HG3 GLN 34 2HG GLN 34 3.757 -12.113 0.869 276 HE21 GLN 34 1HE2 GLN 34 3.592 -8.867 -0.322 277 HE22 GLN 34 2HE2 GLN 34 2.982 -10.507 -0.374 278 H GLU 35 H GLU 35 1.500 -10.992 5.054 279 HA GLU 35 HA GLU 35 1.441 -13.517 6.380 280 HB2 GLU 35 1HB GLU 35 0.515 -10.735 7.146 281 HB3 GLU 35 2HB GLU 35 0.386 -12.098 8.258 282 HG2 GLU 35 1HG GLU 35 2.975 -11.116 7.012 283 HG3 GLU 35 2HG GLU 35 2.408 -10.723 8.644 284 H ARG 36 H ARG 36 -1.232 -11.392 5.353 285 HA ARG 36 HA ARG 36 -3.268 -13.015 6.625 286 HB2 ARG 36 1HB ARG 36 -3.323 -10.562 6.116 287 HB3 ARG 36 2HB ARG 36 -3.479 -10.963 4.415 288 HG2 ARG 36 1HG ARG 36 -5.650 -11.918 4.777 289 HG3 ARG 36 2HG ARG 36 -5.495 -11.688 6.544 290 HD2 ARG 36 1HD ARG 36 -5.377 -9.325 6.328 291 HD3 ARG 36 2HD ARG 36 -5.047 -9.424 4.599 292 HE ARG 36 HE ARG 36 -7.646 -10.470 5.127 293 HH11 ARG 36 1HH1 ARG 36 -5.870 -7.414 4.967 294 HH12 ARG 36 2HH1 ARG 36 -7.301 -6.505 4.523 295 HH21 ARG 36 1HH2 ARG 36 -9.429 -9.238 4.548 296 HH22 ARG 36 2HH2 ARG 36 -9.273 -7.521 4.293 297 H LEU 37 H LEU 37 -1.823 -12.865 3.310 298 HA LEU 37 HA LEU 37 -3.778 -14.767 2.300 299 HB2 LEU 37 1HB LEU 37 -2.422 -13.291 0.837 300 HB3 LEU 37 2HB LEU 37 -0.980 -14.199 1.288 301 HG LEU 37 HG LEU 37 -1.869 -16.208 0.223 302 HD11 LEU 37 1HD1 LEU 37 -4.260 -16.006 0.498 303 HD12 LEU 37 2HD1 LEU 37 -3.919 -16.023 -1.237 304 HD13 LEU 37 3HD1 LEU 37 -4.295 -14.485 -0.426 305 HD21 LEU 37 1HD2 LEU 37 -0.563 -14.605 -1.073 306 HD22 LEU 37 2HD2 LEU 37 -2.042 -13.726 -1.503 307 HD23 LEU 37 3HD2 LEU 37 -1.791 -15.387 -2.094 308 H HIS 38 H HIS 38 -0.540 -14.972 3.835 309 HA HIS 38 HA HIS 38 -0.237 -17.789 3.574 310 HB2 HIS 38 1HB HIS 38 1.519 -16.266 4.494 311 HB3 HIS 38 2HB HIS 38 0.566 -16.098 5.971 312 HD1 HIS 38 HD1 HIS 38 0.203 -18.473 7.385 313 HD2 HIS 38 HD2 HIS 38 3.158 -18.414 4.429 314 HE1 HIS 38 HE1 HIS 38 1.706 -20.444 7.808 315 H LYS 39 H LYS 39 -2.040 -15.829 6.007 316 HA LYS 39 HA LYS 39 -2.891 -18.188 7.464 317 HB2 LYS 39 1HB LYS 39 -3.811 -15.318 7.441 318 HB3 LYS 39 2HB LYS 39 -4.609 -16.557 8.429 319 HG2 LYS 39 1HG LYS 39 -2.830 -16.787 9.855 320 HG3 LYS 39 2HG LYS 39 -1.651 -16.456 8.584 321 HD2 LYS 39 1HD LYS 39 -2.456 -14.020 8.666 322 HD3 LYS 39 2HD LYS 39 -3.287 -14.457 10.169 323 HE2 LYS 39 1HE LYS 39 -1.052 -13.481 10.612 324 HE3 LYS 39 2HE LYS 39 -1.127 -15.173 11.154 325 HZ1 LYS 39 1HZ LYS 39 -0.119 -14.526 8.463 326 HZ2 LYS 39 2HZ LYS 39 0.200 -15.849 9.391 327 HZ3 LYS 39 3HZ LYS 39 0.894 -14.393 9.761 328 H ALA 40 H ALA 40 -4.327 -16.338 4.767 329 HA ALA 40 HA ALA 40 -6.858 -17.679 4.795 330 HB1 ALA 40 1HB ALA 40 -6.398 -15.637 3.435 331 HB2 ALA 40 2HB ALA 40 -5.296 -16.585 2.409 332 HB3 ALA 40 3HB ALA 40 -7.030 -16.969 2.437 333 H GLN 41 H GLN 41 -3.642 -18.501 3.397 334 HA GLN 41 HA GLN 41 -4.612 -21.001 2.290 335 HB2 GLN 41 1HB GLN 41 -2.450 -20.063 1.610 336 HB3 GLN 41 2HB GLN 41 -1.865 -20.170 3.265 337 HG2 GLN 41 1HG GLN 41 -2.134 -22.662 3.151 338 HG3 GLN 41 2HG GLN 41 -2.550 -22.492 1.439 339 HE21 GLN 41 1HE2 GLN 41 1.277 -21.330 2.436 340 HE22 GLN 41 2HE2 GLN 41 -0.081 -20.773 3.385 341 H GLU 42 H GLU 42 -2.849 -20.180 5.330 342 HA GLU 42 HA GLU 42 -2.591 -22.683 6.395 343 HB2 GLU 42 1HB GLU 42 -1.775 -20.429 7.170 344 HB3 GLU 42 2HB GLU 42 -3.305 -20.230 8.020 345 HG2 GLU 42 1HG GLU 42 -2.794 -22.120 9.441 346 HG3 GLU 42 2HG GLU 42 -1.333 -22.472 8.495 347 H GLU 43 H GLU 43 -5.481 -20.586 7.008 348 HA GLU 43 HA GLU 43 -6.775 -23.013 8.121 349 HB2 GLU 43 1HB GLU 43 -8.329 -21.611 9.184 350 HB3 GLU 43 2HB GLU 43 -6.739 -20.870 9.389 351 HG2 GLU 43 1HG GLU 43 -7.397 -19.447 7.316 352 HG3 GLU 43 2HG GLU 43 -9.036 -19.990 7.671 353 H HIS 44 H HIS 44 -7.297 -20.700 5.381 354 HA HIS 44 HA HIS 44 -9.823 -22.153 4.774 355 HB2 HIS 44 1HB HIS 44 -8.772 -19.533 3.679 356 HB3 HIS 44 2HB HIS 44 -10.228 -20.335 3.112 357 HD1 HIS 44 HD1 HIS 44 -9.094 -17.952 5.663 358 HD2 HIS 44 HD2 HIS 44 -12.236 -20.647 5.192 359 HE1 HIS 44 HE1 HIS 44 -10.873 -17.300 7.330 360 H ARG 45 H ARG 45 -6.673 -22.289 3.924 361 HA ARG 45 HA ARG 45 -5.503 -23.490 2.457 362 HB2 ARG 45 1HB ARG 45 -8.067 -24.635 1.361 363 HB3 ARG 45 2HB ARG 45 -6.437 -25.268 1.157 364 HG2 ARG 45 1HG ARG 45 -8.102 -25.197 3.693 365 HG3 ARG 45 2HG ARG 45 -7.507 -26.611 2.818 366 HD2 ARG 45 1HD ARG 45 -5.949 -24.648 4.528 367 HD3 ARG 45 2HD ARG 45 -6.152 -26.387 4.780 368 HE ARG 45 HE ARG 45 -4.886 -26.253 2.349 369 HH11 ARG 45 1HH1 ARG 45 -4.109 -24.846 5.503 370 HH12 ARG 45 2HH1 ARG 45 -2.394 -24.873 5.182 371 HH21 ARG 45 1HH2 ARG 45 -2.697 -26.194 1.999 372 HH22 ARG 45 2HH2 ARG 45 -1.613 -25.608 3.228 373 H THR 46 H THR 46 -8.076 -21.695 0.937 374 HA THR 46 HA THR 46 -8.061 -20.342 -0.899 375 HB THR 46 HB THR 46 -5.045 -20.818 -1.078 376 HG1 THR 46 HG1 THR 46 -6.196 -19.836 0.914 377 HG21 THR 46 1HG2 THR 46 -6.895 -18.734 -2.221 378 HG22 THR 46 2HG2 THR 46 -5.804 -19.836 -3.082 379 HG23 THR 46 3HG2 THR 46 -5.138 -18.524 -2.096 380 H VAL 47 H VAL 47 -8.879 -20.854 -2.850 381 HA VAL 47 HA VAL 47 -8.912 -23.528 -3.694 382 HB VAL 47 HB VAL 47 -10.616 -21.834 -4.263 383 HG11 VAL 47 1HG1 VAL 47 -10.346 -20.273 -6.111 384 HG12 VAL 47 2HG1 VAL 47 -9.097 -19.956 -4.895 385 HG13 VAL 47 3HG1 VAL 47 -8.681 -20.824 -6.390 386 HG21 VAL 47 1HG2 VAL 47 -9.489 -23.211 -6.728 387 HG22 VAL 47 2HG2 VAL 47 -10.498 -23.985 -5.483 388 HG23 VAL 47 3HG2 VAL 47 -11.168 -22.674 -6.478 389 H GLU 48 H GLU 48 -6.645 -20.974 -4.755 390 HA GLU 48 HA GLU 48 -5.458 -22.901 -6.666 391 HB2 GLU 48 1HB GLU 48 -3.968 -21.050 -7.284 392 HB3 GLU 48 2HB GLU 48 -5.667 -20.658 -7.465 393 HG2 GLU 48 1HG GLU 48 -4.589 -19.852 -4.862 394 HG3 GLU 48 2HG GLU 48 -3.759 -19.102 -6.232 395 H VAL 49 H VAL 49 -5.364 -23.922 -4.152 396 HA VAL 49 HA VAL 49 -3.237 -23.297 -2.480 397 HB VAL 49 HB VAL 49 -5.112 -24.925 -2.052 398 HG11 VAL 49 1HG1 VAL 49 -4.869 -27.271 -2.643 399 HG12 VAL 49 2HG1 VAL 49 -4.890 -26.283 -4.114 400 HG13 VAL 49 3HG1 VAL 49 -3.349 -26.937 -3.503 401 HG21 VAL 49 1HG2 VAL 49 -2.331 -25.936 -1.358 402 HG22 VAL 49 2HG2 VAL 49 -3.236 -24.672 -0.488 403 HG23 VAL 49 3HG2 VAL 49 -3.849 -26.341 -0.517 404 H GLU 50 H GLU 50 -3.005 -24.965 -5.559 405 HA GLU 50 HA GLU 50 -0.394 -26.120 -5.220 406 HB2 GLU 50 1HB GLU 50 -1.714 -25.007 -7.712 407 HB3 GLU 50 2HB GLU 50 -0.355 -26.128 -7.688 408 HG2 GLU 50 1HG GLU 50 -1.802 -27.868 -6.743 409 HG3 GLU 50 2HG GLU 50 -3.164 -26.727 -6.714 410 H LYS 51 H LYS 51 -1.519 -22.875 -5.872 411 HA LYS 51 HA LYS 51 1.244 -21.843 -6.185 412 HB2 LYS 51 1HB LYS 51 0.626 -20.702 -8.315 413 HB3 LYS 51 2HB LYS 51 0.628 -22.460 -8.460 414 HG2 LYS 51 1HG LYS 51 -2.020 -21.734 -7.722 415 HG3 LYS 51 2HG LYS 51 -1.534 -20.595 -8.977 416 HD2 LYS 51 1HD LYS 51 -1.113 -22.358 -10.532 417 HD3 LYS 51 2HD LYS 51 -1.182 -23.587 -9.253 418 HE2 LYS 51 1HE LYS 51 -3.585 -22.895 -8.839 419 HE3 LYS 51 2HE LYS 51 -3.485 -21.905 -10.309 420 HZ1 LYS 51 1HZ LYS 51 -4.416 -24.064 -10.781 421 HZ2 LYS 51 2HZ LYS 51 -3.117 -24.846 -10.135 422 HZ3 LYS 51 3HZ LYS 51 -2.944 -23.961 -11.519 423 H VAL 52 H VAL 52 -0.457 -21.470 -4.024 424 HA VAL 52 HA VAL 52 -2.388 -19.519 -3.995 425 HB VAL 52 HB VAL 52 -0.138 -19.811 -1.935 426 HG11 VAL 52 1HG1 VAL 52 -1.426 -17.750 -1.575 427 HG12 VAL 52 2HG1 VAL 52 -2.945 -18.663 -1.652 428 HG13 VAL 52 3HG1 VAL 52 -1.806 -18.936 -0.317 429 HG21 VAL 52 1HG2 VAL 52 -1.758 -21.294 -0.752 430 HG22 VAL 52 2HG2 VAL 52 -2.829 -21.205 -2.167 431 HG23 VAL 52 3HG2 VAL 52 -1.219 -21.956 -2.299 432 H HIS 53 H HIS 53 1.134 -18.878 -3.905 433 HA HIS 53 HA HIS 53 0.578 -16.332 -5.218 434 HB2 HIS 53 1HB HIS 53 1.913 -14.987 -3.606 435 HB3 HIS 53 2HB HIS 53 0.406 -15.600 -2.936 436 HD1 HIS 53 HD1 HIS 53 4.060 -15.614 -2.369 437 HD2 HIS 53 HD2 HIS 53 0.739 -17.775 -1.080 438 HE1 HIS 53 HE1 HIS 53 4.785 -16.933 -0.332 439 H LEU 54 H LEU 54 3.156 -18.179 -3.585 440 HA LEU 54 HA LEU 54 5.308 -18.656 -4.166 441 HB2 LEU 54 1HB LEU 54 4.414 -18.366 -7.053 442 HB3 LEU 54 2HB LEU 54 5.818 -19.242 -6.464 443 HG LEU 54 HG LEU 54 2.933 -20.026 -5.917 444 HD11 LEU 54 1HD1 LEU 54 3.362 -21.824 -7.557 445 HD12 LEU 54 2HD1 LEU 54 4.965 -21.132 -7.895 446 HD13 LEU 54 3HD1 LEU 54 3.490 -20.213 -8.291 447 HD21 LEU 54 1HD2 LEU 54 5.549 -21.508 -5.406 448 HD22 LEU 54 2HD2 LEU 54 3.917 -22.190 -5.209 449 HD23 LEU 54 3HD2 LEU 54 4.447 -20.855 -4.169 450 H GLU 55 H GLU 55 7.123 -17.781 -5.929 451 HA GLU 55 HA GLU 55 7.767 -15.197 -4.988 452 HB2 GLU 55 1HB GLU 55 9.426 -16.762 -5.835 453 HB3 GLU 55 2HB GLU 55 8.710 -16.738 -7.439 454 HG2 GLU 55 1HG GLU 55 9.725 -14.151 -6.240 455 HG3 GLU 55 2HG GLU 55 10.890 -15.326 -6.862 456 H LYS 56 H LYS 56 6.170 -16.211 -8.020 457 HA LYS 56 HA LYS 56 6.273 -13.694 -9.290 458 HB2 LYS 56 1HB LYS 56 4.203 -15.903 -9.537 459 HB3 LYS 56 2HB LYS 56 4.374 -14.542 -10.653 460 HG2 LYS 56 1HG LYS 56 6.676 -15.293 -11.190 461 HG3 LYS 56 2HG LYS 56 6.451 -16.691 -10.118 462 HD2 LYS 56 1HD LYS 56 4.514 -17.410 -11.487 463 HD3 LYS 56 2HD LYS 56 4.792 -16.035 -12.577 464 HE2 LYS 56 1HE LYS 56 7.064 -16.901 -13.072 465 HE3 LYS 56 2HE LYS 56 6.758 -18.289 -12.006 466 HZ1 LYS 56 1HZ LYS 56 4.927 -18.923 -13.463 467 HZ2 LYS 56 2HZ LYS 56 6.332 -18.837 -14.323 468 HZ3 LYS 56 3HZ LYS 56 5.211 -17.634 -14.451 469 H LYS 57 H LYS 57 3.437 -15.062 -7.451 470 HA LYS 57 HA LYS 57 2.103 -12.495 -7.827 471 HB2 LYS 57 1HB LYS 57 1.205 -15.040 -7.408 472 HB3 LYS 57 2HB LYS 57 0.993 -14.322 -5.809 473 HG2 LYS 57 1HG LYS 57 0.037 -12.725 -8.142 474 HG3 LYS 57 2HG LYS 57 -0.861 -14.206 -7.777 475 HD2 LYS 57 1HD LYS 57 -0.223 -12.186 -5.628 476 HD3 LYS 57 2HD LYS 57 -1.635 -12.004 -6.679 477 HE2 LYS 57 1HE LYS 57 -2.503 -14.176 -5.962 478 HE3 LYS 57 2HE LYS 57 -1.058 -14.455 -4.961 479 HZ1 LYS 57 1HZ LYS 57 -1.648 -12.695 -3.559 480 HZ2 LYS 57 2HZ LYS 57 -3.054 -13.545 -3.791 481 HZ3 LYS 57 3HZ LYS 57 -2.814 -12.116 -4.589 482 H LEU 58 H LEU 58 4.068 -14.003 -5.247 483 HA LEU 58 HA LEU 58 3.343 -12.103 -3.211 484 HB2 LEU 58 1HB LEU 58 4.739 -14.092 -2.810 485 HB3 LEU 58 2HB LEU 58 6.020 -13.427 -3.805 486 HG LEU 58 HG LEU 58 5.225 -11.734 -1.507 487 HD11 LEU 58 1HD1 LEU 58 4.991 -13.950 -0.490 488 HD12 LEU 58 2HD1 LEU 58 6.470 -13.167 0.100 489 HD13 LEU 58 3HD1 LEU 58 6.579 -14.442 -1.136 490 HD21 LEU 58 1HD2 LEU 58 7.159 -11.204 -2.955 491 HD22 LEU 58 2HD2 LEU 58 7.890 -12.780 -2.574 492 HD23 LEU 58 3HD2 LEU 58 7.690 -11.555 -1.299 493 H ARG 59 H ARG 59 5.820 -12.097 -5.786 494 HA ARG 59 HA ARG 59 6.867 -9.504 -5.279 495 HB2 ARG 59 1HB ARG 59 7.886 -11.258 -6.674 496 HB3 ARG 59 2HB ARG 59 6.607 -11.066 -7.867 497 HG2 ARG 59 1HG ARG 59 7.403 -8.892 -8.474 498 HG3 ARG 59 2HG ARG 59 8.589 -8.909 -7.135 499 HD2 ARG 59 1HD ARG 59 9.638 -10.907 -8.058 500 HD3 ARG 59 2HD ARG 59 8.433 -10.983 -9.349 501 HE ARG 59 HE ARG 59 9.667 -8.489 -9.586 502 HH11 ARG 59 1HH1 ARG 59 10.673 -11.882 -9.741 503 HH12 ARG 59 2HH1 ARG 59 11.941 -11.536 -10.899 504 HH21 ARG 59 1HH2 ARG 59 11.311 -8.137 -11.058 505 HH22 ARG 59 2HH2 ARG 59 12.304 -9.457 -11.609 506 H ASP 60 H ASP 60 4.038 -10.562 -7.234 507 HA ASP 60 HA ASP 60 3.649 -7.890 -8.255 508 HB2 ASP 60 1HB ASP 60 2.829 -10.148 -9.223 509 HB3 ASP 60 2HB ASP 60 1.445 -9.922 -8.142 510 H GLU 61 H GLU 61 2.351 -9.623 -5.406 511 HA GLU 61 HA GLU 61 0.324 -7.725 -4.664 512 HB2 GLU 61 1HB GLU 61 2.224 -9.509 -3.105 513 HB3 GLU 61 2HB GLU 61 1.047 -8.503 -2.283 514 HG2 GLU 61 1HG GLU 61 -0.749 -9.758 -3.006 515 HG3 GLU 61 2HG GLU 61 0.125 -10.383 -4.409 516 H ILE 62 H ILE 62 3.741 -8.081 -3.757 517 HA ILE 62 HA ILE 62 3.929 -5.623 -2.351 518 HB ILE 62 HB ILE 62 6.162 -7.192 -3.731 519 HG12 ILE 62 1HG1 ILE 62 5.097 -7.256 -0.877 520 HG13 ILE 62 2HG1 ILE 62 4.819 -8.500 -2.060 521 HG21 ILE 62 1HG2 ILE 62 6.713 -4.796 -3.027 522 HG22 ILE 62 2HG2 ILE 62 6.301 -5.273 -1.366 523 HG23 ILE 62 3HG2 ILE 62 7.670 -6.035 -2.206 524 HD11 ILE 62 1HD1 ILE 62 6.499 -9.295 -0.629 525 HD12 ILE 62 2HD1 ILE 62 7.329 -8.844 -2.136 526 HD13 ILE 62 3HD1 ILE 62 7.410 -7.777 -0.709 527 H ASN 63 H ASN 63 4.228 -6.389 -5.829 528 HA ASN 63 HA ASN 63 5.245 -3.798 -6.588 529 HB2 ASN 63 1HB ASN 63 5.313 -5.849 -8.021 530 HB3 ASN 63 2HB ASN 63 3.561 -5.718 -8.218 531 HD21 ASN 63 1HD2 ASN 63 3.905 -3.727 -10.980 532 HD22 ASN 63 2HD2 ASN 63 3.107 -5.053 -10.156 533 H LEU 64 H LEU 64 1.957 -5.097 -6.121 534 HA LEU 64 HA LEU 64 0.571 -2.821 -7.218 535 HB2 LEU 64 1HB LEU 64 -0.227 -5.209 -6.667 536 HB3 LEU 64 2HB LEU 64 -0.366 -4.678 -5.006 537 HG LEU 64 HG LEU 64 -1.955 -3.597 -7.350 538 HD11 LEU 64 1HD1 LEU 64 -2.600 -5.550 -5.101 539 HD12 LEU 64 2HD1 LEU 64 -2.488 -5.915 -6.839 540 HD13 LEU 64 3HD1 LEU 64 -3.788 -4.875 -6.227 541 HD21 LEU 64 1HD2 LEU 64 -3.419 -2.623 -5.592 542 HD22 LEU 64 2HD2 LEU 64 -1.818 -1.878 -5.645 543 HD23 LEU 64 3HD2 LEU 64 -2.206 -3.054 -4.368 544 H ALA 65 H ALA 65 1.503 -3.831 -3.891 545 HA ALA 65 HA ALA 65 0.553 -1.413 -2.645 546 HB1 ALA 65 1HB ALA 65 0.968 -3.465 -1.409 547 HB2 ALA 65 2HB ALA 65 2.702 -3.361 -1.791 548 HB3 ALA 65 3HB ALA 65 1.940 -2.129 -0.753 549 H LYS 66 H LYS 66 3.577 -2.279 -4.265 550 HA LYS 66 HA LYS 66 5.126 0.026 -3.501 551 HB2 LYS 66 1HB LYS 66 6.178 -1.917 -4.522 552 HB3 LYS 66 2HB LYS 66 5.148 -1.768 -5.927 553 HG2 LYS 66 1HG LYS 66 6.279 0.439 -6.427 554 HG3 LYS 66 2HG LYS 66 7.482 -0.026 -5.200 555 HD2 LYS 66 1HD LYS 66 7.934 -2.110 -6.439 556 HD3 LYS 66 2HD LYS 66 6.634 -1.730 -7.580 557 HE2 LYS 66 1HE LYS 66 8.677 -1.186 -8.665 558 HE3 LYS 66 2HE LYS 66 7.881 0.343 -8.236 559 HZ1 LYS 66 1HZ LYS 66 9.340 0.482 -6.314 560 HZ2 LYS 66 2HZ LYS 66 10.231 0.376 -7.697 561 HZ3 LYS 66 3HZ LYS 66 10.074 -0.940 -6.714 562 H GLN 67 H GLN 67 2.643 -0.557 -6.020 563 HA GLN 67 HA GLN 67 3.117 1.981 -7.309 564 HB2 GLN 67 1HB GLN 67 1.838 -0.076 -8.225 565 HB3 GLN 67 2HB GLN 67 0.460 0.539 -7.302 566 HG2 GLN 67 1HG GLN 67 0.247 1.357 -9.541 567 HG3 GLN 67 2HG GLN 67 0.725 2.730 -8.532 568 HE21 GLN 67 1HE2 GLN 67 3.430 3.466 -10.573 569 HE22 GLN 67 2HE2 GLN 67 2.190 4.008 -9.461 570 H GLU 68 H GLU 68 0.647 0.853 -4.849 571 HA GLU 68 HA GLU 68 -0.454 3.385 -4.264 572 HB2 GLU 68 1HB GLU 68 -0.997 1.102 -3.289 573 HB3 GLU 68 2HB GLU 68 0.386 1.297 -2.220 574 HG2 GLU 68 1HG GLU 68 -0.638 3.341 -1.306 575 HG3 GLU 68 2HG GLU 68 -2.046 3.057 -2.336 576 H ALA 69 H ALA 69 2.541 1.936 -2.907 577 HA ALA 69 HA ALA 69 3.215 4.145 -1.252 578 HB1 ALA 69 1HB ALA 69 4.163 1.842 -1.067 579 HB2 ALA 69 2HB ALA 69 5.115 2.149 -2.540 580 HB3 ALA 69 3HB ALA 69 5.399 3.117 -1.073 581 H GLN 70 H GLN 70 3.860 3.597 -4.734 582 HA GLN 70 HA GLN 70 5.814 5.684 -5.018 583 HB2 GLN 70 1HB GLN 70 5.678 4.306 -6.889 584 HB3 GLN 70 2HB GLN 70 3.925 4.275 -6.891 585 HG2 GLN 70 1HG GLN 70 5.353 6.874 -7.548 586 HG3 GLN 70 2HG GLN 70 5.235 5.603 -8.769 587 HE21 GLN 70 1HE2 GLN 70 2.230 8.102 -8.643 588 HE22 GLN 70 2HE2 GLN 70 3.915 8.419 -8.313 589 H ARG 71 H ARG 71 2.235 5.635 -5.180 590 HA ARG 71 HA ARG 71 1.944 8.387 -5.903 591 HB2 ARG 71 1HB ARG 71 0.107 6.658 -4.202 592 HB3 ARG 71 2HB ARG 71 -0.325 8.163 -5.008 593 HG2 ARG 71 1HG ARG 71 0.214 7.088 -7.183 594 HG3 ARG 71 2HG ARG 71 0.472 5.568 -6.330 595 HD2 ARG 71 1HD ARG 71 -1.793 5.477 -5.615 596 HD3 ARG 71 2HD ARG 71 -2.067 7.154 -6.122 597 HE ARG 71 HE ARG 71 -2.151 6.542 -8.359 598 HH11 ARG 71 1HH1 ARG 71 -1.431 3.691 -6.387 599 HH12 ARG 71 2HH1 ARG 71 -1.836 2.584 -7.670 600 HH21 ARG 71 1HH2 ARG 71 -2.657 5.089 -9.924 601 HH22 ARG 71 2HH2 ARG 71 -2.481 3.367 -9.664 602 H LEU 72 H LEU 72 2.043 6.735 -2.719 603 HA LEU 72 HA LEU 72 1.680 9.143 -1.234 604 HB2 LEU 72 1HB LEU 72 2.848 6.474 -0.473 605 HB3 LEU 72 2HB LEU 72 2.415 7.754 0.680 606 HG LEU 72 HG LEU 72 0.385 6.748 -1.343 607 HD11 LEU 72 1HD1 LEU 72 1.232 4.769 -0.166 608 HD12 LEU 72 2HD1 LEU 72 -0.471 5.125 0.170 609 HD13 LEU 72 3HD1 LEU 72 0.763 5.528 1.364 610 HD21 LEU 72 1HD2 LEU 72 -1.257 7.485 0.283 611 HD22 LEU 72 2HD2 LEU 72 -0.136 8.811 -0.067 612 HD23 LEU 72 3HD2 LEU 72 0.020 7.887 1.442 613 H LYS 73 H LYS 73 4.545 7.662 -2.648 614 HA LYS 73 HA LYS 73 6.380 9.440 -1.217 615 HB2 LYS 73 1HB LYS 73 6.702 7.478 -3.488 616 HB3 LYS 73 2HB LYS 73 8.040 8.494 -2.922 617 HG2 LYS 73 1HG LYS 73 8.048 7.499 -0.775 618 HG3 LYS 73 2HG LYS 73 6.443 6.800 -1.006 619 HD2 LYS 73 1HD LYS 73 7.387 5.308 -2.776 620 HD3 LYS 73 2HD LYS 73 9.011 5.899 -2.337 621 HE2 LYS 73 1HE LYS 73 8.658 5.157 -0.013 622 HE3 LYS 73 2HE LYS 73 7.004 4.667 -0.405 623 HZ1 LYS 73 1HZ LYS 73 8.479 2.788 -0.315 624 HZ2 LYS 73 2HZ LYS 73 9.445 3.416 -1.498 625 HZ3 LYS 73 3HZ LYS 73 7.894 2.968 -1.848 626 H GLU 74 H GLU 74 4.752 9.499 -4.399 627 HA GLU 74 HA GLU 74 6.350 11.700 -5.399 628 HB2 GLU 74 1HB GLU 74 4.847 10.157 -6.771 629 HB3 GLU 74 2HB GLU 74 3.469 11.073 -6.137 630 HG2 GLU 74 1HG GLU 74 4.502 13.156 -7.076 631 HG3 GLU 74 2HG GLU 74 5.791 12.169 -7.771 632 H LEU 75 H LEU 75 3.416 11.338 -3.424 633 HA LEU 75 HA LEU 75 2.873 14.165 -3.277 634 HB2 LEU 75 1HB LEU 75 2.069 11.719 -1.747 635 HB3 LEU 75 2HB LEU 75 1.798 13.288 -1.019 636 HG LEU 75 HG LEU 75 0.076 13.831 -2.393 637 HD11 LEU 75 1HD1 LEU 75 -0.405 12.919 -4.648 638 HD12 LEU 75 2HD1 LEU 75 1.104 11.985 -4.584 639 HD13 LEU 75 3HD1 LEU 75 1.150 13.765 -4.584 640 HD21 LEU 75 1HD2 LEU 75 -0.453 11.742 -1.161 641 HD22 LEU 75 2HD2 LEU 75 0.036 10.796 -2.586 642 HD23 LEU 75 3HD2 LEU 75 -1.370 11.879 -2.680 643 H ARG 76 H ARG 76 4.739 11.858 -1.314 644 HA ARG 76 HA ARG 76 5.591 13.603 0.756 645 HB2 ARG 76 1HB ARG 76 5.917 11.133 0.680 646 HB3 ARG 76 2HB ARG 76 7.154 11.356 -0.550 647 HG2 ARG 76 1HG ARG 76 8.596 12.510 0.983 648 HG3 ARG 76 2HG ARG 76 7.341 12.503 2.235 649 HD2 ARG 76 1HD ARG 76 7.360 10.029 2.211 650 HD3 ARG 76 2HD ARG 76 8.649 10.060 0.992 651 HE ARG 76 HE ARG 76 8.893 10.575 3.858 652 HH11 ARG 76 1HH1 ARG 76 10.461 11.084 0.730 653 HH12 ARG 76 2HH1 ARG 76 12.035 11.289 1.451 654 HH21 ARG 76 1HH2 ARG 76 10.930 10.850 4.698 655 HH22 ARG 76 2HH2 ARG 76 12.288 11.172 3.656 656 H GLU 77 H GLU 77 6.567 13.550 -2.619 657 HA GLU 77 HA GLU 77 9.105 14.799 -2.394 658 HB2 GLU 77 1HB GLU 77 7.935 13.922 -4.500 659 HB3 GLU 77 2HB GLU 77 7.017 15.431 -4.495 660 HG2 GLU 77 1HG GLU 77 9.426 16.530 -4.415 661 HG3 GLU 77 2HG GLU 77 9.929 14.969 -5.071 662 H GLY 78 H GLY 78 5.812 16.138 -1.975 663 HA2 GLY 78 1HA GLY 78 6.455 18.239 -0.409 664 HA3 GLY 78 2HA GLY 78 6.963 18.863 -1.966 665 H THR 79 H THR 79 4.047 16.863 -1.555 666 HA THR 79 HA THR 79 2.499 18.966 -2.810 667 HB THR 79 HB THR 79 1.551 16.411 -1.470 668 HG1 THR 79 HG1 THR 79 1.903 16.523 -4.219 669 HG21 THR 79 1HG2 THR 79 -0.234 16.539 -3.123 670 HG22 THR 79 2HG2 THR 79 0.410 18.070 -3.746 671 HG23 THR 79 3HG2 THR 79 -0.249 17.980 -2.092 672 H GLU 80 H GLU 80 1.383 20.557 -1.896 673 HA GLU 80 HA GLU 80 0.899 20.513 1.051 674 HB2 GLU 80 1HB GLU 80 2.102 22.470 0.013 675 HB3 GLU 80 2HB GLU 80 0.665 22.788 -0.961 676 HG2 GLU 80 1HG GLU 80 -0.617 23.013 1.211 677 HG3 GLU 80 2HG GLU 80 0.929 22.939 2.051 678 H ASN 81 H ASN 81 -0.580 20.751 -2.130 679 HA ASN 81 HA ASN 81 -3.272 20.125 -1.241 680 HB2 ASN 81 1HB ASN 81 -4.169 22.371 -2.063 681 HB3 ASN 81 2HB ASN 81 -3.262 22.471 -0.554 682 HD21 ASN 81 1HD2 ASN 81 -1.244 24.982 -1.790 683 HD22 ASN 81 2HD2 ASN 81 -2.208 24.312 -0.497 684 H GLU 82 H GLU 82 -4.533 21.154 -3.515 685 HA GLU 82 HA GLU 82 -3.500 19.630 -5.730 686 HB2 GLU 82 1HB GLU 82 -5.899 20.955 -4.947 687 HB3 GLU 82 2HB GLU 82 -5.448 21.662 -6.484 688 HG2 GLU 82 1HG GLU 82 -6.865 19.852 -6.984 689 HG3 GLU 82 2HG GLU 82 -5.227 19.327 -7.402 690 H ARG 83 H ARG 83 -1.319 20.940 -5.219 691 HA ARG 83 HA ARG 83 -0.944 23.548 -6.282 692 HB2 ARG 83 1HB ARG 83 1.460 22.901 -6.489 693 HB3 ARG 83 2HB ARG 83 0.768 22.535 -4.911 694 HG2 ARG 83 1HG ARG 83 0.598 20.129 -5.516 695 HG3 ARG 83 2HG ARG 83 1.296 20.483 -7.109 696 HD2 ARG 83 1HD ARG 83 3.370 21.326 -6.011 697 HD3 ARG 83 2HD ARG 83 2.679 20.970 -4.419 698 HE ARG 83 HE ARG 83 2.565 18.533 -5.722 699 HH11 ARG 83 1HH1 ARG 83 5.248 20.755 -5.033 700 HH12 ARG 83 2HH1 ARG 83 6.416 19.457 -5.064 701 HH21 ARG 83 1HH2 ARG 83 4.123 16.972 -5.677 702 HH22 ARG 83 2HH2 ARG 83 5.813 17.381 -5.451 703 H SER 84 H SER 84 -0.279 24.263 -8.357 704 HA SER 84 HA SER 84 -1.807 23.243 -10.419 705 HB2 SER 84 1HB SER 84 0.771 24.738 -10.889 706 HB3 SER 84 2HB SER 84 -0.755 24.844 -11.796 707 HG SER 84 HG SER 84 -1.705 25.773 -9.937 708 H ARG 85 H ARG 85 1.388 22.057 -9.582 709 HA ARG 85 HA ARG 85 1.842 20.773 -12.173 710 HB2 ARG 85 1HB ARG 85 3.119 20.453 -9.431 711 HB3 ARG 85 2HB ARG 85 3.591 19.498 -10.841 712 HG2 ARG 85 1HG ARG 85 4.188 21.557 -12.050 713 HG3 ARG 85 2HG ARG 85 3.769 22.519 -10.618 714 HD2 ARG 85 1HD ARG 85 5.493 21.392 -9.308 715 HD3 ARG 85 2HD ARG 85 5.852 20.298 -10.652 716 HE ARG 85 HE ARG 85 6.645 23.122 -10.386 717 HH11 ARG 85 1HH1 ARG 85 6.521 20.303 -12.519 718 HH12 ARG 85 2HH1 ARG 85 7.712 20.963 -13.606 719 HH21 ARG 85 1HH2 ARG 85 8.160 23.889 -11.820 720 HH22 ARG 85 2HH2 ARG 85 8.620 22.952 -13.215 721 H GLN 86 H GLN 86 0.298 19.929 -9.126 722 HA GLN 86 HA GLN 86 -0.358 17.236 -10.235 723 HB2 GLN 86 1HB GLN 86 0.259 18.039 -7.376 724 HB3 GLN 86 2HB GLN 86 -0.481 16.502 -7.839 725 HG2 GLN 86 1HG GLN 86 1.509 15.882 -9.095 726 HG3 GLN 86 2HG GLN 86 2.266 17.432 -8.693 727 HE21 GLN 86 1HE2 GLN 86 2.882 14.467 -6.229 728 HE22 GLN 86 2HE2 GLN 86 2.544 14.343 -7.946 729 H LYS 87 H LYS 87 -2.221 18.375 -11.111 730 HA LYS 87 HA LYS 87 -4.207 19.456 -9.240 731 HB2 LYS 87 1HB LYS 87 -4.445 18.595 -12.149 732 HB3 LYS 87 2HB LYS 87 -5.675 19.476 -11.231 733 HG2 LYS 87 1HG LYS 87 -4.086 21.355 -10.937 734 HG3 LYS 87 2HG LYS 87 -2.899 20.481 -11.931 735 HD2 LYS 87 1HD LYS 87 -4.526 20.429 -13.794 736 HD3 LYS 87 2HD LYS 87 -5.666 21.367 -12.803 737 HE2 LYS 87 1HE LYS 87 -4.009 23.197 -12.644 738 HE3 LYS 87 2HE LYS 87 -2.884 22.259 -13.655 739 HZ1 LYS 87 1HZ LYS 87 -5.577 23.182 -14.488 740 HZ2 LYS 87 2HZ LYS 87 -4.538 22.311 -15.426 741 HZ3 LYS 87 3HZ LYS 87 -4.147 23.848 -14.972 742 H TYR 88 H TYR 88 -2.988 16.524 -9.706 743 HA TYR 88 HA TYR 88 -5.513 15.012 -9.295 744 HB2 TYR 88 1HB TYR 88 -4.210 13.107 -10.260 745 HB3 TYR 88 2HB TYR 88 -4.407 14.440 -11.400 746 HD1 TYR 88 HD1 TYR 88 -2.452 15.743 -12.184 747 HD2 TYR 88 HD2 TYR 88 -1.975 12.639 -9.260 748 HE1 TYR 88 HE1 TYR 88 0.044 15.816 -12.484 749 HE2 TYR 88 HE2 TYR 88 0.491 12.711 -9.557 750 HH TYR 88 HH TYR 88 2.238 13.671 -10.594 751 H ALA 89 H ALA 89 -3.619 16.490 -7.320 752 HA ALA 89 HA ALA 89 -1.972 14.507 -6.082 753 HB1 ALA 89 1HB ALA 89 -1.545 16.839 -5.656 754 HB2 ALA 89 2HB ALA 89 -3.192 17.097 -5.043 755 HB3 ALA 89 3HB ALA 89 -2.052 16.103 -4.118 756 H GLU 90 H GLU 90 -5.205 15.793 -5.009 757 HA GLU 90 HA GLU 90 -5.338 13.697 -2.967 758 HB2 GLU 90 1HB GLU 90 -7.447 15.605 -4.023 759 HB3 GLU 90 2HB GLU 90 -7.675 14.507 -2.656 760 HG2 GLU 90 1HG GLU 90 -5.589 16.730 -2.781 761 HG3 GLU 90 2HG GLU 90 -7.144 16.837 -1.946 762 H GLU 91 H GLU 91 -6.068 13.973 -6.331 763 HA GLU 91 HA GLU 91 -7.914 11.769 -6.525 764 HB2 GLU 91 1HB GLU 91 -7.367 13.466 -8.354 765 HB3 GLU 91 2HB GLU 91 -5.845 12.606 -8.571 766 HG2 GLU 91 1HG GLU 91 -7.254 10.507 -8.955 767 HG3 GLU 91 2HG GLU 91 -8.629 11.608 -9.119 768 H GLU 92 H GLU 92 -4.333 12.070 -6.233 769 HA GLU 92 HA GLU 92 -3.843 9.305 -6.902 770 HB2 GLU 92 1HB GLU 92 -2.243 11.333 -5.337 771 HB3 GLU 92 2HB GLU 92 -1.731 9.663 -5.477 772 HG2 GLU 92 1HG GLU 92 -2.398 11.200 -7.950 773 HG3 GLU 92 2HG GLU 92 -0.842 11.463 -7.145 774 H LEU 93 H LEU 93 -5.000 10.944 -4.004 775 HA LEU 93 HA LEU 93 -4.510 8.622 -2.308 776 HB2 LEU 93 1HB LEU 93 -6.330 11.012 -1.909 777 HB3 LEU 93 2HB LEU 93 -6.049 9.750 -0.717 778 HG LEU 93 HG LEU 93 -3.938 11.653 -1.797 779 HD11 LEU 93 1HD1 LEU 93 -5.580 12.732 -0.334 780 HD12 LEU 93 2HD1 LEU 93 -4.012 12.577 0.488 781 HD13 LEU 93 3HD1 LEU 93 -5.339 11.463 0.896 782 HD21 LEU 93 1HD2 LEU 93 -2.869 9.551 -1.213 783 HD22 LEU 93 2HD2 LEU 93 -3.786 9.447 0.308 784 HD23 LEU 93 3HD2 LEU 93 -2.551 10.706 0.088 785 H GLU 94 H GLU 94 -7.128 9.775 -4.404 786 HA GLU 94 HA GLU 94 -9.024 7.756 -3.529 787 HB2 GLU 94 1HB GLU 94 -9.596 9.845 -4.842 788 HB3 GLU 94 2HB GLU 94 -8.827 9.106 -6.247 789 HG2 GLU 94 1HG GLU 94 -11.111 8.702 -6.572 790 HG3 GLU 94 2HG GLU 94 -10.496 7.165 -5.952 791 H GLN 95 H GLN 95 -6.396 7.950 -5.949 792 HA GLN 95 HA GLN 95 -6.905 5.290 -7.000 793 HB2 GLN 95 1HB GLN 95 -4.448 7.064 -7.100 794 HB3 GLN 95 2HB GLN 95 -4.607 5.514 -7.928 795 HG2 GLN 95 1HG GLN 95 -6.553 6.412 -9.196 796 HG3 GLN 95 2HG GLN 95 -6.284 7.989 -8.446 797 HE21 GLN 95 1HE2 GLN 95 -4.184 8.859 -11.086 798 HE22 GLN 95 2HE2 GLN 95 -5.560 9.254 -10.093 799 H VAL 96 H VAL 96 -5.108 6.536 -4.217 800 HA VAL 96 HA VAL 96 -3.621 4.104 -3.644 801 HB VAL 96 HB VAL 96 -4.436 6.573 -2.083 802 HG11 VAL 96 1HG1 VAL 96 -3.365 4.045 -0.805 803 HG12 VAL 96 2HG1 VAL 96 -3.193 5.649 -0.067 804 HG13 VAL 96 3HG1 VAL 96 -4.806 4.977 -0.363 805 HG21 VAL 96 1HG2 VAL 96 -2.408 6.538 -3.551 806 HG22 VAL 96 2HG2 VAL 96 -2.074 6.939 -1.863 807 HG23 VAL 96 3HG2 VAL 96 -1.706 5.315 -2.477 808 H ARG 97 H ARG 97 -6.786 5.453 -2.716 809 HA ARG 97 HA ARG 97 -7.614 3.330 -0.999 810 HB2 ARG 97 1HB ARG 97 -8.783 5.495 -1.184 811 HB3 ARG 97 2HB ARG 97 -9.170 5.147 -2.858 812 HG2 ARG 97 1HG ARG 97 -10.503 3.139 -2.009 813 HG3 ARG 97 2HG ARG 97 -10.375 3.914 -0.405 814 HD2 ARG 97 1HD ARG 97 -11.232 6.013 -1.406 815 HD3 ARG 97 2HD ARG 97 -11.363 5.199 -2.972 816 HE ARG 97 HE ARG 97 -12.881 3.768 -1.038 817 HH11 ARG 97 1HH1 ARG 97 -12.948 6.790 -2.880 818 HH12 ARG 97 2HH1 ARG 97 -14.695 6.868 -2.852 819 HH21 ARG 97 1HH2 ARG 97 -15.105 3.958 -1.018 820 HH22 ARG 97 2HH2 ARG 97 -15.887 5.296 -1.815 821 H GLU 98 H GLU 98 -7.869 3.770 -4.565 822 HA GLU 98 HA GLU 98 -9.230 1.248 -4.914 823 HB2 GLU 98 1HB GLU 98 -7.737 3.047 -6.829 824 HB3 GLU 98 2HB GLU 98 -8.528 1.545 -7.325 825 HG2 GLU 98 1HG GLU 98 -9.898 3.935 -6.039 826 HG3 GLU 98 2HG GLU 98 -9.985 3.477 -7.746 827 H ALA 99 H ALA 99 -5.770 2.134 -4.826 828 HA ALA 99 HA ALA 99 -4.697 -0.355 -5.785 829 HB1 ALA 99 1HB ALA 99 -3.373 1.717 -5.384 830 HB2 ALA 99 2HB ALA 99 -3.558 1.457 -3.635 831 HB3 ALA 99 3HB ALA 99 -2.685 0.266 -4.616 832 H LEU 100 H LEU 100 -5.411 0.841 -2.470 833 HA LEU 100 HA LEU 100 -4.876 -1.611 -1.150 834 HB2 LEU 100 1HB LEU 100 -5.090 0.644 -0.097 835 HB3 LEU 100 2HB LEU 100 -6.830 0.578 -0.363 836 HG LEU 100 HG LEU 100 -6.974 -1.393 1.150 837 HD11 LEU 100 1HD1 LEU 100 -4.001 -0.842 1.566 838 HD12 LEU 100 2HD1 LEU 100 -4.742 -2.340 0.955 839 HD13 LEU 100 3HD1 LEU 100 -4.998 -1.856 2.640 840 HD21 LEU 100 1HD2 LEU 100 -6.601 -0.114 3.222 841 HD22 LEU 100 2HD2 LEU 100 -7.349 0.898 1.970 842 HD23 LEU 100 3HD2 LEU 100 -5.611 1.064 2.323 843 H ARG 101 H ARG 101 -7.942 -0.285 -2.440 844 HA ARG 101 HA ARG 101 -9.665 -2.384 -1.555 845 HB2 ARG 101 1HB ARG 101 -10.348 -0.166 -2.470 846 HB3 ARG 101 2HB ARG 101 -9.787 -0.671 -4.062 847 HG2 ARG 101 1HG ARG 101 -11.510 -2.502 -4.005 848 HG3 ARG 101 2HG ARG 101 -12.148 -1.748 -2.520 849 HD2 ARG 101 1HD ARG 101 -12.376 0.398 -3.750 850 HD3 ARG 101 2HD ARG 101 -11.754 -0.385 -5.210 851 HE ARG 101 HE ARG 101 -14.043 -1.790 -4.218 852 HH11 ARG 101 1HH1 ARG 101 -13.150 1.143 -5.989 853 HH12 ARG 101 2HH1 ARG 101 -14.702 1.225 -6.790 854 HH21 ARG 101 1HH2 ARG 101 -15.991 -1.605 -5.285 855 HH22 ARG 101 2HH2 ARG 101 -16.266 -0.303 -6.408 856 H LYS 102 H LYS 102 -7.699 -2.053 -4.537 857 HA LYS 102 HA LYS 102 -8.778 -4.398 -5.796 858 HB2 LYS 102 1HB LYS 102 -7.581 -2.796 -7.137 859 HB3 LYS 102 2HB LYS 102 -6.159 -2.893 -6.099 860 HG2 LYS 102 1HG LYS 102 -5.690 -4.055 -8.156 861 HG3 LYS 102 2HG LYS 102 -5.769 -5.209 -6.828 862 HD2 LYS 102 1HD LYS 102 -8.168 -5.713 -7.537 863 HD3 LYS 102 2HD LYS 102 -7.848 -4.741 -8.987 864 HE2 LYS 102 1HE LYS 102 -7.454 -7.101 -9.485 865 HE3 LYS 102 2HE LYS 102 -5.894 -6.246 -9.489 866 HZ1 LYS 102 1HZ LYS 102 -5.519 -7.051 -7.236 867 HZ2 LYS 102 2HZ LYS 102 -5.774 -8.331 -8.229 868 HZ3 LYS 102 3HZ LYS 102 -6.969 -7.822 -7.212 869 H ALA 103 H ALA 103 -5.972 -3.879 -3.611 870 HA ALA 103 HA ALA 103 -5.149 -6.645 -3.759 871 HB1 ALA 103 1HB ALA 103 -3.741 -6.099 -1.877 872 HB2 ALA 103 2HB ALA 103 -3.707 -4.742 -3.019 873 HB3 ALA 103 3HB ALA 103 -4.676 -4.626 -1.531 874 H GLU 104 H GLU 104 -7.203 -4.792 -1.506 875 HA GLU 104 HA GLU 104 -7.670 -6.784 0.436 876 HB2 GLU 104 1HB GLU 104 -8.320 -4.405 0.656 877 HB3 GLU 104 2HB GLU 104 -9.510 -4.609 -0.628 878 HG2 GLU 104 1HG GLU 104 -10.702 -6.280 0.819 879 HG3 GLU 104 2HG GLU 104 -9.579 -5.865 2.126 880 H LYS 105 H LYS 105 -9.571 -6.036 -2.541 881 HA LYS 105 HA LYS 105 -11.368 -8.242 -1.964 882 HB2 LYS 105 1HB LYS 105 -11.053 -6.561 -4.457 883 HB3 LYS 105 2HB LYS 105 -12.317 -7.772 -4.184 884 HG2 LYS 105 1HG LYS 105 -12.730 -6.407 -1.951 885 HG3 LYS 105 2HG LYS 105 -11.906 -5.113 -2.821 886 HD2 LYS 105 1HD LYS 105 -14.180 -4.737 -3.251 887 HD3 LYS 105 2HD LYS 105 -13.590 -5.532 -4.722 888 HE2 LYS 105 1HE LYS 105 -15.747 -6.489 -4.078 889 HE3 LYS 105 2HE LYS 105 -14.482 -7.712 -3.869 890 HZ1 LYS 105 1HZ LYS 105 -14.562 -7.472 -1.555 891 HZ2 LYS 105 2HZ LYS 105 -16.131 -7.504 -2.007 892 HZ3 LYS 105 3HZ LYS 105 -15.428 -6.065 -1.601 893 H GLU 106 H GLU 106 -8.285 -8.049 -3.539 894 HA GLU 106 HA GLU 106 -8.652 -10.514 -5.061 895 HB2 GLU 106 1HB GLU 106 -6.889 -8.884 -5.628 896 HB3 GLU 106 2HB GLU 106 -6.127 -9.140 -4.058 897 HG2 GLU 106 1HG GLU 106 -5.696 -11.477 -4.627 898 HG3 GLU 106 2HG GLU 106 -6.468 -11.244 -6.206 899 H LEU 107 H LEU 107 -7.161 -9.587 -1.896 900 HA LEU 107 HA LEU 107 -6.574 -12.304 -1.182 901 HB2 LEU 107 1HB LEU 107 -5.970 -9.883 -0.155 902 HB3 LEU 107 2HB LEU 107 -7.214 -10.380 0.996 903 HG LEU 107 HG LEU 107 -4.895 -12.189 0.245 904 HD11 LEU 107 1HD1 LEU 107 -3.696 -11.316 2.192 905 HD12 LEU 107 2HD1 LEU 107 -4.968 -10.091 2.428 906 HD13 LEU 107 3HD1 LEU 107 -3.962 -10.074 0.962 907 HD21 LEU 107 1HD2 LEU 107 -5.306 -13.074 2.570 908 HD22 LEU 107 2HD2 LEU 107 -6.644 -13.341 1.444 909 HD23 LEU 107 3HD2 LEU 107 -6.750 -12.042 2.652 910 H GLU 108 H GLU 108 -9.442 -10.252 -0.761 911 HA GLU 108 HA GLU 108 -11.004 -12.000 0.854 912 HB2 GLU 108 1HB GLU 108 -11.616 -9.663 0.231 913 HB3 GLU 108 2HB GLU 108 -11.819 -10.184 -1.434 914 HG2 GLU 108 1HG GLU 108 -13.644 -11.747 -0.597 915 HG3 GLU 108 2HG GLU 108 -13.559 -10.841 0.927 916 H SER 109 H SER 109 -10.620 -11.801 -2.740 917 HA SER 109 HA SER 109 -12.411 -13.956 -3.260 918 HB2 SER 109 1HB SER 109 -11.561 -13.963 -5.493 919 HB3 SER 109 2HB SER 109 -11.651 -12.281 -4.945 920 HG SER 109 HG SER 109 -9.272 -12.775 -4.338 921 H HIS 110 H HIS 110 -8.948 -13.947 -2.384 922 HA HIS 110 HA HIS 110 -8.579 -16.754 -3.084 923 HB2 HIS 110 1HB HIS 110 -7.086 -14.890 -1.189 924 HB3 HIS 110 2HB HIS 110 -6.608 -16.552 -1.509 925 HD1 HIS 110 HD1 HIS 110 -6.523 -16.916 -4.452 926 HD2 HIS 110 HD2 HIS 110 -5.511 -13.284 -2.639 927 HE1 HIS 110 HE1 HIS 110 -5.046 -15.661 -6.071 928 H SER 111 H SER 111 -9.894 -15.007 -0.317 929 HA SER 111 HA SER 111 -9.826 -17.460 1.353 930 HB2 SER 111 1HB SER 111 -10.702 -16.041 3.123 931 HB3 SER 111 2HB SER 111 -9.286 -15.280 2.373 932 HG SER 111 HG SER 111 -11.302 -14.371 1.003 933 H SER 112 H SER 112 -11.878 -16.016 -0.947 934 HA SER 112 HA SER 112 -14.415 -16.679 0.285 935 HB2 SER 112 1HB SER 112 -13.662 -16.021 -2.583 936 HB3 SER 112 2HB SER 112 -15.325 -16.208 -1.992 937 HG SER 112 HG SER 112 -13.422 -14.342 -0.973 938 H TRP 113 H TRP 113 -12.081 -18.695 -1.243 939 HA TRP 113 HA TRP 113 -14.185 -20.764 -1.508 940 HB2 TRP 113 1HB TRP 113 -13.675 -19.572 -3.725 941 HB3 TRP 113 2HB TRP 113 -12.119 -20.408 -3.674 942 HD1 TRP 113 HD1 TRP 113 -12.233 -23.135 -3.861 943 HE1 TRP 113 HE1 TRP 113 -13.932 -24.737 -4.833 944 HE3 TRP 113 HE3 TRP 113 -16.183 -19.899 -4.062 945 HZ2 TRP 113 HZ2 TRP 113 -16.684 -24.647 -5.622 946 HZ3 TRP 113 HZ3 TRP 113 -18.374 -20.734 -4.952 947 HH2 TRP 113 HH2 TRP 113 -18.605 -23.095 -5.727 948 H TYR 114 H TYR 114 -13.658 -22.639 -0.715 949 HA TYR 114 HA TYR 114 -11.024 -23.031 0.492 950 HB2 TYR 114 1HB TYR 114 -13.532 -23.650 1.260 951 HB3 TYR 114 2HB TYR 114 -13.139 -25.159 0.429 952 HD1 TYR 114 HD1 TYR 114 -12.303 -22.937 3.287 953 HD2 TYR 114 HD2 TYR 114 -11.488 -26.714 1.395 954 HE1 TYR 114 HE1 TYR 114 -11.103 -23.709 5.334 955 HE2 TYR 114 HE2 TYR 114 -10.278 -27.469 3.444 956 HH TYR 114 HH TYR 114 -9.762 -25.290 6.237 957 H ALA 115 H ALA 115 -9.648 -24.859 0.047 958 HA ALA 115 HA ALA 115 -9.651 -25.669 -2.766 959 HB1 ALA 115 1HB ALA 115 -7.808 -26.560 -0.515 960 HB2 ALA 115 2HB ALA 115 -7.515 -26.692 -2.262 961 HB3 ALA 115 3HB ALA 115 -7.556 -25.092 -1.491 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 8.091 38.636 0.117 2 H2 GLY 1 2H GLY 1 8.342 37.221 -0.696 3 H3 GLY 1 3H GLY 1 9.466 37.761 0.382 4 HA2 GLY 1 1HA GLY 1 7.941 37.481 2.211 5 HA3 GLY 1 2HA GLY 1 6.727 36.903 1.053 6 H SER 2 H SER 2 7.118 35.105 2.969 7 HA SER 2 HA SER 2 9.423 33.421 2.551 8 HB2 SER 2 1HB SER 2 8.048 31.820 3.973 9 HB3 SER 2 2HB SER 2 8.348 33.415 4.696 10 HG SER 2 HG SER 2 6.149 32.751 4.867 11 HA PRO 3 HA PRO 3 7.993 31.021 -0.921 12 HB2 PRO 3 1HB PRO 3 9.123 28.629 0.509 13 HB3 PRO 3 2HB PRO 3 9.489 29.240 -1.135 14 HG2 PRO 3 1HG PRO 3 11.247 29.546 0.805 15 HG3 PRO 3 2HG PRO 3 10.906 30.903 -0.318 16 HD2 PRO 3 1HD PRO 3 9.832 30.439 2.469 17 HD3 PRO 3 2HD PRO 3 10.565 31.921 1.759 18 H GLU 4 H GLU 4 6.525 29.247 -1.493 19 HA GLU 4 HA GLU 4 4.153 29.173 -0.049 20 HB2 GLU 4 1HB GLU 4 5.288 26.936 -1.779 21 HB3 GLU 4 2HB GLU 4 3.585 27.178 -1.392 22 HG2 GLU 4 1HG GLU 4 5.326 29.062 -3.030 23 HG3 GLU 4 2HG GLU 4 4.175 27.886 -3.683 24 H PHE 5 H PHE 5 6.724 26.689 -0.015 25 HA PHE 5 HA PHE 5 5.397 24.843 1.637 26 HB2 PHE 5 1HB PHE 5 8.394 25.260 1.572 27 HB3 PHE 5 2HB PHE 5 7.504 23.748 1.786 28 HD1 PHE 5 HD1 PHE 5 6.048 22.957 -0.248 29 HD2 PHE 5 HD2 PHE 5 9.162 25.915 -0.537 30 HE1 PHE 5 HE1 PHE 5 6.179 22.569 -2.700 31 HE2 PHE 5 HE2 PHE 5 9.298 25.541 -2.995 32 HZ PHE 5 HZ PHE 5 7.805 23.865 -4.084 33 H ASN 6 H ASN 6 7.389 27.646 2.520 34 HA ASN 6 HA ASN 6 7.466 26.791 5.333 35 HB2 ASN 6 1HB ASN 6 8.312 29.404 4.018 36 HB3 ASN 6 2HB ASN 6 8.673 28.914 5.680 37 HD21 ASN 6 1HD2 ASN 6 11.311 26.766 4.780 38 HD22 ASN 6 2HD2 ASN 6 10.194 27.240 6.038 39 H ARG 7 H ARG 7 5.827 29.167 3.266 40 HA ARG 7 HA ARG 7 4.567 30.679 5.331 41 HB2 ARG 7 1HB ARG 7 4.827 31.129 2.813 42 HB3 ARG 7 2HB ARG 7 3.414 30.095 2.585 43 HG2 ARG 7 1HG ARG 7 2.165 31.673 4.159 44 HG3 ARG 7 2HG ARG 7 3.581 32.742 4.054 45 HD2 ARG 7 1HD ARG 7 1.706 31.871 1.852 46 HD3 ARG 7 2HD ARG 7 2.060 33.520 2.386 47 HE ARG 7 HE ARG 7 4.467 32.915 1.522 48 HH11 ARG 7 1HH1 ARG 7 1.458 31.868 -0.045 49 HH12 ARG 7 2HH1 ARG 7 2.260 31.678 -1.594 50 HH21 ARG 7 1HH2 ARG 7 5.354 32.677 -0.478 51 HH22 ARG 7 2HH2 ARG 7 4.364 32.134 -1.836 52 H TYR 8 H TYR 8 3.560 27.785 3.518 53 HA TYR 8 HA TYR 8 1.207 27.558 5.338 54 HB2 TYR 8 1HB TYR 8 1.729 26.168 2.702 55 HB3 TYR 8 2HB TYR 8 0.235 26.174 3.647 56 HD1 TYR 8 HD1 TYR 8 1.751 27.566 0.834 57 HD2 TYR 8 HD2 TYR 8 -0.627 28.707 4.235 58 HE1 TYR 8 HE1 TYR 8 0.940 29.575 -0.391 59 HE2 TYR 8 HE2 TYR 8 -1.408 30.729 3.004 60 HH TYR 8 HH TYR 8 -1.384 31.872 1.013 61 H SER 9 H SER 9 3.953 26.883 6.106 62 HA SER 9 HA SER 9 4.617 24.170 5.873 63 HB2 SER 9 1HB SER 9 5.729 24.534 8.144 64 HB3 SER 9 2HB SER 9 6.195 25.643 6.838 65 HG SER 9 HG SER 9 5.271 27.256 7.832 66 H LYS 10 H LYS 10 2.243 25.683 7.980 67 HA LYS 10 HA LYS 10 1.680 23.689 9.818 68 HB2 LYS 10 1HB LYS 10 -0.775 24.496 9.517 69 HB3 LYS 10 2HB LYS 10 0.444 25.641 10.064 70 HG2 LYS 10 1HG LYS 10 -0.131 27.063 8.404 71 HG3 LYS 10 2HG LYS 10 0.381 25.881 7.202 72 HD2 LYS 10 1HD LYS 10 -2.007 24.830 7.736 73 HD3 LYS 10 2HD LYS 10 -2.369 26.508 8.175 74 HE2 LYS 10 1HE LYS 10 -1.672 27.275 5.949 75 HE3 LYS 10 2HE LYS 10 -1.089 25.651 5.535 76 HZ1 LYS 10 1HZ LYS 10 -3.497 24.951 5.936 77 HZ2 LYS 10 2HZ LYS 10 -3.137 25.750 4.529 78 HZ3 LYS 10 3HZ LYS 10 -3.875 26.551 5.781 79 H GLU 11 H GLU 11 -0.191 23.908 6.723 80 HA GLU 11 HA GLU 11 -1.119 21.194 7.140 81 HB2 GLU 11 1HB GLU 11 -1.902 23.411 5.542 82 HB3 GLU 11 2HB GLU 11 -1.547 22.068 4.463 83 HG2 GLU 11 1HG GLU 11 -3.821 21.839 4.900 84 HG3 GLU 11 2HG GLU 11 -3.052 20.637 5.949 85 H HIS 12 H HIS 12 1.493 22.748 5.270 86 HA HIS 12 HA HIS 12 1.914 20.561 3.476 87 HB2 HIS 12 1HB HIS 12 3.666 22.749 4.569 88 HB3 HIS 12 2HB HIS 12 4.404 21.412 3.686 89 HD1 HIS 12 HD1 HIS 12 1.324 23.659 2.979 90 HD2 HIS 12 HD2 HIS 12 4.717 22.063 1.127 91 HE1 HIS 12 HE1 HIS 12 1.337 24.495 0.596 92 H MET 13 H MET 13 3.329 21.187 6.758 93 HA MET 13 HA MET 13 4.796 18.681 6.705 94 HB2 MET 13 1HB MET 13 3.957 20.443 9.032 95 HB3 MET 13 2HB MET 13 5.039 19.050 9.156 96 HG2 MET 13 1HG MET 13 6.604 20.166 7.567 97 HG3 MET 13 2HG MET 13 5.561 21.596 7.591 98 HE1 MET 13 1HE MET 13 5.945 22.936 11.263 99 HE2 MET 13 2HE MET 13 5.173 23.153 9.676 100 HE3 MET 13 3HE MET 13 4.652 21.832 10.745 101 H LYS 14 H LYS 14 1.631 19.742 8.016 102 HA LYS 14 HA LYS 14 0.973 17.347 9.402 103 HB2 LYS 14 1HB LYS 14 -0.331 19.420 9.544 104 HB3 LYS 14 2HB LYS 14 -0.752 19.281 7.839 105 HG2 LYS 14 1HG LYS 14 -2.022 17.209 8.327 106 HG3 LYS 14 2HG LYS 14 -1.700 17.460 10.064 107 HD2 LYS 14 1HD LYS 14 -2.797 19.628 9.984 108 HD3 LYS 14 2HD LYS 14 -2.945 19.518 8.224 109 HE2 LYS 14 1HE LYS 14 -4.454 17.585 8.456 110 HE3 LYS 14 2HE LYS 14 -4.369 17.746 10.231 111 HZ1 LYS 14 1HZ LYS 14 -6.275 18.933 9.046 112 HZ2 LYS 14 2HZ LYS 14 -5.151 20.018 8.492 113 HZ3 LYS 14 3HZ LYS 14 -5.404 19.846 10.109 114 H LYS 15 H LYS 15 0.366 18.258 5.979 115 HA LYS 15 HA LYS 15 -0.869 15.750 5.322 116 HB2 LYS 15 1HB LYS 15 -1.241 17.743 3.966 117 HB3 LYS 15 2HB LYS 15 0.484 17.838 3.564 118 HG2 LYS 15 1HG LYS 15 0.421 15.949 2.243 119 HG3 LYS 15 2HG LYS 15 -1.089 15.368 2.955 120 HD2 LYS 15 1HD LYS 15 -2.339 17.118 1.798 121 HD3 LYS 15 2HD LYS 15 -0.826 17.788 1.139 122 HE2 LYS 15 1HE LYS 15 -1.960 16.341 -0.527 123 HE3 LYS 15 2HE LYS 15 -0.381 15.676 -0.050 124 HZ1 LYS 15 1HZ LYS 15 -3.038 14.738 0.879 125 HZ2 LYS 15 2HZ LYS 15 -1.587 14.183 1.492 126 HZ3 LYS 15 3HZ LYS 15 -1.977 13.933 -0.085 127 H MET 16 H MET 16 2.512 16.969 4.899 128 HA MET 16 HA MET 16 3.527 14.673 3.622 129 HB2 MET 16 1HB MET 16 4.850 16.707 3.928 130 HB3 MET 16 2HB MET 16 4.836 16.487 5.680 131 HG2 MET 16 1HG MET 16 6.155 14.422 5.454 132 HG3 MET 16 2HG MET 16 6.149 14.609 3.700 133 HE1 MET 16 1HE MET 16 6.768 17.138 6.781 134 HE2 MET 16 2HE MET 16 7.687 15.648 7.102 135 HE3 MET 16 3HE MET 16 8.546 17.164 6.740 136 H MET 17 H MET 17 3.188 15.287 7.168 137 HA MET 17 HA MET 17 4.383 12.785 7.896 138 HB2 MET 17 1HB MET 17 2.421 14.579 9.355 139 HB3 MET 17 2HB MET 17 3.141 13.129 10.069 140 HG2 MET 17 1HG MET 17 5.400 14.073 9.698 141 HG3 MET 17 2HG MET 17 4.668 15.555 9.073 142 HE1 MET 17 1HE MET 17 3.516 17.377 10.504 143 HE2 MET 17 2HE MET 17 2.231 16.240 10.980 144 HE3 MET 17 3HE MET 17 3.076 17.197 12.219 145 H LYS 18 H LYS 18 0.959 13.676 7.206 146 HA LYS 18 HA LYS 18 0.035 11.039 7.973 147 HB2 LYS 18 1HB LYS 18 -1.136 13.509 6.927 148 HB3 LYS 18 2HB LYS 18 -1.851 12.072 6.187 149 HG2 LYS 18 1HG LYS 18 -1.613 12.529 9.183 150 HG3 LYS 18 2HG LYS 18 -3.069 12.849 8.222 151 HD2 LYS 18 1HD LYS 18 -3.178 10.452 7.576 152 HD3 LYS 18 2HD LYS 18 -1.718 10.129 8.527 153 HE2 LYS 18 1HE LYS 18 -2.907 10.967 10.561 154 HE3 LYS 18 2HE LYS 18 -4.397 11.074 9.591 155 HZ1 LYS 18 1HZ LYS 18 -2.794 8.625 10.117 156 HZ2 LYS 18 2HZ LYS 18 -4.125 8.675 9.137 157 HZ3 LYS 18 3HZ LYS 18 -4.278 8.969 10.754 158 H ASP 19 H ASP 19 1.007 12.502 4.874 159 HA ASP 19 HA ASP 19 0.099 10.316 3.250 160 HB2 ASP 19 1HB ASP 19 2.385 12.283 2.829 161 HB3 ASP 19 2HB ASP 19 1.762 11.176 1.596 162 H LEU 20 H LEU 20 3.168 11.013 4.993 163 HA LEU 20 HA LEU 20 4.368 8.566 3.945 164 HB2 LEU 20 1HB LEU 20 5.277 10.448 6.128 165 HB3 LEU 20 2HB LEU 20 6.192 9.046 5.558 166 HG LEU 20 HG LEU 20 5.405 11.456 3.885 167 HD11 LEU 20 1HD1 LEU 20 7.800 11.937 3.889 168 HD12 LEU 20 2HD1 LEU 20 8.106 10.509 4.902 169 HD13 LEU 20 3HD1 LEU 20 7.172 11.882 5.545 170 HD21 LEU 20 1HD2 LEU 20 6.942 8.938 3.110 171 HD22 LEU 20 2HD2 LEU 20 6.958 10.439 2.157 172 HD23 LEU 20 3HD2 LEU 20 5.439 9.556 2.376 173 H GLU 21 H GLU 21 2.409 9.362 6.742 174 HA GLU 21 HA GLU 21 2.965 6.937 8.219 175 HB2 GLU 21 1HB GLU 21 1.610 8.901 9.087 176 HB3 GLU 21 2HB GLU 21 0.338 8.460 7.948 177 HG2 GLU 21 1HG GLU 21 0.385 6.149 9.123 178 HG3 GLU 21 2HG GLU 21 1.234 7.005 10.421 179 H GLY 22 H GLY 22 0.923 7.911 5.477 180 HA2 GLY 22 1HA GLY 22 -0.366 5.365 5.123 181 HA3 GLY 22 2HA GLY 22 -0.223 6.659 3.917 182 H LEU 23 H LEU 23 2.682 6.790 3.852 183 HA LEU 23 HA LEU 23 3.202 4.652 2.010 184 HB2 LEU 23 1HB LEU 23 4.314 7.025 2.437 185 HB3 LEU 23 2HB LEU 23 5.470 6.069 3.365 186 HG LEU 23 HG LEU 23 4.725 5.479 0.473 187 HD11 LEU 23 1HD1 LEU 23 7.070 7.109 1.503 188 HD12 LEU 23 2HD1 LEU 23 5.642 7.749 0.648 189 HD13 LEU 23 3HD1 LEU 23 6.756 6.651 -0.188 190 HD21 LEU 23 1HD2 LEU 23 5.791 3.578 1.521 191 HD22 LEU 23 2HD2 LEU 23 7.044 4.605 2.251 192 HD23 LEU 23 3HD2 LEU 23 6.998 4.362 0.491 193 H HIS 24 H HIS 24 4.069 5.143 5.471 194 HA HIS 24 HA HIS 24 5.456 2.627 5.738 195 HB2 HIS 24 1HB HIS 24 5.653 4.359 7.446 196 HB3 HIS 24 2HB HIS 24 3.920 4.262 7.784 197 HD1 HIS 24 HD1 HIS 24 6.666 1.506 7.614 198 HD2 HIS 24 HD2 HIS 24 3.594 2.941 10.077 199 HE1 HIS 24 HE1 HIS 24 6.566 0.008 9.639 200 H ARG 25 H ARG 25 1.997 3.588 5.837 201 HA ARG 25 HA ARG 25 1.143 0.955 6.644 202 HB2 ARG 25 1HB ARG 25 -0.207 3.084 6.759 203 HB3 ARG 25 2HB ARG 25 -0.515 2.896 5.031 204 HG2 ARG 25 1HG ARG 25 -1.854 1.027 5.316 205 HG3 ARG 25 2HG ARG 25 -1.031 0.535 6.806 206 HD2 ARG 25 1HD ARG 25 -2.892 2.907 6.563 207 HD3 ARG 25 2HD ARG 25 -3.332 1.315 7.211 208 HE ARG 25 HE ARG 25 -1.661 1.647 8.995 209 HH11 ARG 25 1HH1 ARG 25 -2.662 4.572 7.273 210 HH12 ARG 25 2HH1 ARG 25 -2.190 5.613 8.606 211 HH21 ARG 25 1HH2 ARG 25 -1.082 3.061 10.612 212 HH22 ARG 25 2HH2 ARG 25 -1.339 4.784 10.423 213 H ALA 26 H ALA 26 2.177 2.274 3.542 214 HA ALA 26 HA ALA 26 1.056 0.065 2.013 215 HB1 ALA 26 1HB ALA 26 1.692 2.233 0.964 216 HB2 ALA 26 2HB ALA 26 3.403 1.875 1.303 217 HB3 ALA 26 3HB ALA 26 2.478 0.837 0.197 218 H GLU 27 H GLU 27 4.072 0.723 3.817 219 HA GLU 27 HA GLU 27 5.454 -1.697 3.034 220 HB2 GLU 27 1HB GLU 27 6.387 0.348 4.188 221 HB3 GLU 27 2HB GLU 27 5.593 -0.188 5.659 222 HG2 GLU 27 1HG GLU 27 6.968 -2.170 5.744 223 HG3 GLU 27 2HG GLU 27 7.724 -1.727 4.196 224 H GLN 28 H GLN 28 3.300 -0.808 5.735 225 HA GLN 28 HA GLN 28 3.094 -3.389 6.926 226 HB2 GLN 28 1HB GLN 28 1.039 -1.152 6.774 227 HB3 GLN 28 2HB GLN 28 0.868 -2.601 7.759 228 HG2 GLN 28 1HG GLN 28 2.930 -1.979 8.995 229 HG3 GLN 28 2HG GLN 28 3.012 -0.478 8.077 230 HE21 GLN 28 1HE2 GLN 28 0.850 -0.636 11.395 231 HE22 GLN 28 2HE2 GLN 28 2.077 -1.783 10.922 232 H SER 29 H SER 29 1.453 -1.897 4.089 233 HA SER 29 HA SER 29 -0.432 -4.025 3.855 234 HB2 SER 29 1HB SER 29 -1.127 -3.113 1.842 235 HB3 SER 29 2HB SER 29 -0.546 -1.708 2.749 236 HG SER 29 HG SER 29 1.489 -2.028 1.565 237 H LEU 30 H LEU 30 2.884 -3.682 2.416 238 HA LEU 30 HA LEU 30 2.571 -6.124 0.814 239 HB2 LEU 30 1HB LEU 30 5.132 -6.197 1.049 240 HB3 LEU 30 2HB LEU 30 4.361 -5.035 0.017 241 HG LEU 30 HG LEU 30 4.796 -3.577 2.288 242 HD11 LEU 30 1HD1 LEU 30 6.122 -5.410 3.260 243 HD12 LEU 30 2HD1 LEU 30 7.127 -3.994 2.931 244 HD13 LEU 30 3HD1 LEU 30 7.183 -5.395 1.835 245 HD21 LEU 30 1HD2 LEU 30 6.590 -2.473 1.082 246 HD22 LEU 30 2HD2 LEU 30 5.217 -2.790 0.017 247 HD23 LEU 30 3HD2 LEU 30 6.662 -3.813 -0.072 248 H HIS 31 H HIS 31 3.842 -5.395 4.172 249 HA HIS 31 HA HIS 31 4.370 -8.206 4.583 250 HB2 HIS 31 1HB HIS 31 4.017 -5.948 6.539 251 HB3 HIS 31 2HB HIS 31 4.421 -7.608 7.007 252 HD1 HIS 31 HD1 HIS 31 6.420 -8.165 4.541 253 HD2 HIS 31 HD2 HIS 31 6.495 -4.873 7.120 254 HE1 HIS 31 HE1 HIS 31 8.781 -7.263 4.531 255 H ASP 32 H ASP 32 1.489 -6.244 5.288 256 HA ASP 32 HA ASP 32 0.006 -8.328 6.580 257 HB2 ASP 32 1HB ASP 32 -0.864 -5.923 4.922 258 HB3 ASP 32 2HB ASP 32 -2.014 -7.061 5.627 259 H LEU 33 H LEU 33 0.646 -7.459 3.160 260 HA LEU 33 HA LEU 33 -1.292 -9.286 2.118 261 HB2 LEU 33 1HB LEU 33 1.008 -7.760 0.978 262 HB3 LEU 33 2HB LEU 33 0.427 -9.151 0.076 263 HG LEU 33 HG LEU 33 -1.527 -7.084 1.073 264 HD11 LEU 33 1HD1 LEU 33 -1.368 -5.893 -1.060 265 HD12 LEU 33 2HD1 LEU 33 -0.034 -6.940 -1.574 266 HD13 LEU 33 3HD1 LEU 33 0.179 -5.839 -0.201 267 HD21 LEU 33 1HD2 LEU 33 -2.429 -9.225 0.234 268 HD22 LEU 33 2HD2 LEU 33 -1.540 -9.023 -1.289 269 HD23 LEU 33 3HD2 LEU 33 -2.850 -7.904 -0.871 270 H GLN 34 H GLN 34 2.274 -9.774 2.797 271 HA GLN 34 HA GLN 34 1.988 -12.525 1.870 272 HB2 GLN 34 1HB GLN 34 3.996 -12.965 3.486 273 HB3 GLN 34 2HB GLN 34 4.217 -12.208 1.931 274 HG2 GLN 34 1HG GLN 34 3.788 -10.345 4.184 275 HG3 GLN 34 2HG GLN 34 5.228 -11.325 4.310 276 HE21 GLN 34 1HE2 GLN 34 5.372 -9.324 0.784 277 HE22 GLN 34 2HE2 GLN 34 4.175 -10.566 1.073 278 H GLU 35 H GLU 35 1.482 -10.925 5.061 279 HA GLU 35 HA GLU 35 0.991 -13.410 6.435 280 HB2 GLU 35 1HB GLU 35 0.418 -10.542 6.956 281 HB3 GLU 35 2HB GLU 35 -0.624 -11.710 7.774 282 HG2 GLU 35 1HG GLU 35 2.410 -11.688 7.907 283 HG3 GLU 35 2HG GLU 35 1.320 -11.059 9.156 284 H ARG 36 H ARG 36 -1.029 -11.381 4.366 285 HA ARG 36 HA ARG 36 -3.490 -12.813 4.936 286 HB2 ARG 36 1HB ARG 36 -2.585 -10.849 2.843 287 HB3 ARG 36 2HB ARG 36 -4.085 -11.741 2.607 288 HG2 ARG 36 1HG ARG 36 -5.194 -10.627 4.276 289 HG3 ARG 36 2HG ARG 36 -3.743 -10.474 5.276 290 HD2 ARG 36 1HD ARG 36 -4.343 -8.274 4.627 291 HD3 ARG 36 2HD ARG 36 -2.908 -8.707 3.697 292 HE ARG 36 HE ARG 36 -5.178 -9.308 2.125 293 HH11 ARG 36 1HH1 ARG 36 -3.488 -6.481 3.398 294 HH12 ARG 36 2HH1 ARG 36 -4.056 -5.446 2.114 295 HH21 ARG 36 1HH2 ARG 36 -5.858 -7.918 0.502 296 HH22 ARG 36 2HH2 ARG 36 -5.380 -6.244 0.529 297 H LEU 37 H LEU 37 -0.776 -13.283 2.692 298 HA LEU 37 HA LEU 37 -2.112 -15.343 1.136 299 HB2 LEU 37 1HB LEU 37 0.079 -14.017 0.667 300 HB3 LEU 37 2HB LEU 37 0.861 -15.179 1.718 301 HG LEU 37 HG LEU 37 -0.517 -15.794 -0.915 302 HD11 LEU 37 1HD1 LEU 37 2.421 -15.765 -0.126 303 HD12 LEU 37 2HD1 LEU 37 1.597 -14.493 -1.052 304 HD13 LEU 37 3HD1 LEU 37 1.759 -16.126 -1.737 305 HD21 LEU 37 1HD2 LEU 37 1.013 -17.627 0.968 306 HD22 LEU 37 2HD2 LEU 37 0.643 -18.013 -0.730 307 HD23 LEU 37 3HD2 LEU 37 -0.674 -17.783 0.429 308 H HIS 38 H HIS 38 0.070 -15.246 3.981 309 HA HIS 38 HA HIS 38 0.127 -18.030 4.561 310 HB2 HIS 38 1HB HIS 38 1.619 -16.764 5.837 311 HB3 HIS 38 2HB HIS 38 0.435 -15.509 6.168 312 HD1 HIS 38 HD1 HIS 38 0.866 -15.499 8.715 313 HD2 HIS 38 HD2 HIS 38 -0.401 -19.220 7.202 314 HE1 HIS 38 HE1 HIS 38 0.202 -16.948 10.708 315 H LYS 39 H LYS 39 -2.216 -15.519 5.689 316 HA LYS 39 HA LYS 39 -3.950 -17.337 7.057 317 HB2 LYS 39 1HB LYS 39 -3.975 -14.830 7.222 318 HB3 LYS 39 2HB LYS 39 -4.667 -14.765 5.597 319 HG2 LYS 39 1HG LYS 39 -6.609 -16.114 6.435 320 HG3 LYS 39 2HG LYS 39 -5.930 -15.972 8.064 321 HD2 LYS 39 1HD LYS 39 -6.073 -13.506 7.895 322 HD3 LYS 39 2HD LYS 39 -6.736 -13.669 6.255 323 HE2 LYS 39 1HE LYS 39 -8.604 -13.328 7.706 324 HE3 LYS 39 2HE LYS 39 -8.621 -15.040 7.243 325 HZ1 LYS 39 1HZ LYS 39 -7.639 -13.945 9.814 326 HZ2 LYS 39 2HZ LYS 39 -7.537 -15.535 9.379 327 HZ3 LYS 39 3HZ LYS 39 -9.010 -14.837 9.580 328 H ALA 40 H ALA 40 -3.957 -16.184 3.663 329 HA ALA 40 HA ALA 40 -6.380 -17.395 2.867 330 HB1 ALA 40 1HB ALA 40 -5.240 -15.771 1.476 331 HB2 ALA 40 2HB ALA 40 -3.850 -16.864 1.281 332 HB3 ALA 40 3HB ALA 40 -5.423 -17.303 0.590 333 H GLN 41 H GLN 41 -3.028 -18.767 3.071 334 HA GLN 41 HA GLN 41 -4.140 -21.276 2.000 335 HB2 GLN 41 1HB GLN 41 -1.535 -20.687 3.459 336 HB3 GLN 41 2HB GLN 41 -1.987 -22.263 2.787 337 HG2 GLN 41 1HG GLN 41 -2.192 -21.154 0.535 338 HG3 GLN 41 2HG GLN 41 -1.510 -19.693 1.254 339 HE21 GLN 41 1HE2 GLN 41 0.892 -22.630 -0.004 340 HE22 GLN 41 2HE2 GLN 41 -0.812 -22.538 -0.372 341 H GLU 42 H GLU 42 -2.840 -20.317 5.227 342 HA GLU 42 HA GLU 42 -3.409 -22.731 6.465 343 HB2 GLU 42 1HB GLU 42 -1.976 -20.805 7.221 344 HB3 GLU 42 2HB GLU 42 -3.436 -20.042 7.859 345 HG2 GLU 42 1HG GLU 42 -3.688 -21.677 9.525 346 HG3 GLU 42 2HG GLU 42 -2.683 -22.849 8.652 347 H GLU 43 H GLU 43 -5.588 -19.881 6.381 348 HA GLU 43 HA GLU 43 -7.583 -21.511 7.855 349 HB2 GLU 43 1HB GLU 43 -7.522 -18.599 7.014 350 HB3 GLU 43 2HB GLU 43 -8.901 -19.378 7.797 351 HG2 GLU 43 1HG GLU 43 -7.506 -19.905 9.756 352 HG3 GLU 43 2HG GLU 43 -6.115 -19.127 8.979 353 H HIS 44 H HIS 44 -7.095 -20.023 4.600 354 HA HIS 44 HA HIS 44 -9.935 -20.707 4.085 355 HB2 HIS 44 1HB HIS 44 -8.070 -19.034 2.409 356 HB3 HIS 44 2HB HIS 44 -9.765 -19.337 2.073 357 HD1 HIS 44 HD1 HIS 44 -11.530 -18.140 3.624 358 HD2 HIS 44 HD2 HIS 44 -7.552 -17.177 4.415 359 HE1 HIS 44 HE1 HIS 44 -11.547 -16.090 5.105 360 H ARG 45 H ARG 45 -6.752 -21.550 2.891 361 HA ARG 45 HA ARG 45 -6.103 -23.003 1.215 362 HB2 ARG 45 1HB ARG 45 -6.703 -25.333 1.788 363 HB3 ARG 45 2HB ARG 45 -6.134 -24.355 3.131 364 HG2 ARG 45 1HG ARG 45 -8.569 -24.039 3.826 365 HG3 ARG 45 2HG ARG 45 -8.982 -25.260 2.607 366 HD2 ARG 45 1HD ARG 45 -8.758 -26.383 4.702 367 HD3 ARG 45 2HD ARG 45 -7.324 -26.786 3.734 368 HE ARG 45 HE ARG 45 -6.967 -24.459 5.473 369 HH11 ARG 45 1HH1 ARG 45 -6.696 -27.974 5.323 370 HH12 ARG 45 2HH1 ARG 45 -5.571 -28.037 6.654 371 HH21 ARG 45 1HH2 ARG 45 -5.555 -24.611 7.174 372 HH22 ARG 45 2HH2 ARG 45 -4.928 -26.167 7.674 373 H THR 46 H THR 46 -7.752 -21.479 -0.082 374 HA THR 46 HA THR 46 -9.989 -22.730 -1.340 375 HB THR 46 HB THR 46 -9.894 -20.853 -2.877 376 HG1 THR 46 HG1 THR 46 -7.938 -19.522 -2.832 377 HG21 THR 46 1HG2 THR 46 -8.605 -19.696 -0.397 378 HG22 THR 46 2HG2 THR 46 -10.243 -20.380 -0.335 379 HG23 THR 46 3HG2 THR 46 -9.885 -19.015 -1.416 380 H VAL 47 H VAL 47 -9.907 -22.775 -3.932 381 HA VAL 47 HA VAL 47 -8.315 -24.994 -4.700 382 HB VAL 47 HB VAL 47 -8.922 -24.377 -7.058 383 HG11 VAL 47 1HG1 VAL 47 -11.247 -24.142 -5.109 384 HG12 VAL 47 2HG1 VAL 47 -11.337 -24.650 -6.809 385 HG13 VAL 47 3HG1 VAL 47 -10.485 -25.663 -5.625 386 HG21 VAL 47 1HG2 VAL 47 -10.262 -21.927 -5.793 387 HG22 VAL 47 2HG2 VAL 47 -8.811 -21.887 -6.823 388 HG23 VAL 47 3HG2 VAL 47 -10.364 -22.420 -7.494 389 H GLU 48 H GLU 48 -7.385 -21.693 -4.337 390 HA GLU 48 HA GLU 48 -5.196 -21.834 -6.281 391 HB2 GLU 48 1HB GLU 48 -5.805 -19.800 -4.115 392 HB3 GLU 48 2HB GLU 48 -4.599 -19.633 -5.396 393 HG2 GLU 48 1HG GLU 48 -6.488 -19.862 -7.062 394 HG3 GLU 48 2HG GLU 48 -7.608 -19.708 -5.694 395 H VAL 49 H VAL 49 -5.636 -23.041 -3.101 396 HA VAL 49 HA VAL 49 -3.239 -22.293 -1.833 397 HB VAL 49 HB VAL 49 -5.217 -23.514 -0.804 398 HG11 VAL 49 1HG1 VAL 49 -3.826 -26.052 -1.768 399 HG12 VAL 49 2HG1 VAL 49 -5.302 -25.932 -0.784 400 HG13 VAL 49 3HG1 VAL 49 -5.324 -25.394 -2.470 401 HG21 VAL 49 1HG2 VAL 49 -3.174 -23.124 0.468 402 HG22 VAL 49 2HG2 VAL 49 -3.883 -24.688 0.897 403 HG23 VAL 49 3HG2 VAL 49 -2.458 -24.624 -0.167 404 H GLU 50 H GLU 50 -3.711 -24.760 -4.301 405 HA GLU 50 HA GLU 50 -0.995 -25.852 -4.019 406 HB2 GLU 50 1HB GLU 50 -2.910 -27.228 -4.779 407 HB3 GLU 50 2HB GLU 50 -3.159 -26.136 -6.138 408 HG2 GLU 50 1HG GLU 50 -0.877 -26.765 -6.987 409 HG3 GLU 50 2HG GLU 50 -0.793 -27.980 -5.698 410 H LYS 51 H LYS 51 -2.755 -23.548 -6.044 411 HA LYS 51 HA LYS 51 -0.405 -23.195 -7.814 412 HB2 LYS 51 1HB LYS 51 -3.301 -22.295 -8.037 413 HB3 LYS 51 2HB LYS 51 -2.043 -21.882 -9.205 414 HG2 LYS 51 1HG LYS 51 -2.721 -23.716 -10.308 415 HG3 LYS 51 2HG LYS 51 -1.726 -24.579 -9.129 416 HD2 LYS 51 1HD LYS 51 -3.759 -25.742 -9.126 417 HD3 LYS 51 2HD LYS 51 -3.862 -24.723 -7.685 418 HE2 LYS 51 1HE LYS 51 -5.252 -23.101 -8.934 419 HE3 LYS 51 2HE LYS 51 -5.123 -24.124 -10.388 420 HZ1 LYS 51 1HZ LYS 51 -6.361 -24.879 -7.800 421 HZ2 LYS 51 2HZ LYS 51 -6.143 -25.927 -9.059 422 HZ3 LYS 51 3HZ LYS 51 -7.153 -24.630 -9.227 423 H VAL 52 H VAL 52 -0.692 -22.012 -4.978 424 HA VAL 52 HA VAL 52 -1.064 -19.211 -5.219 425 HB VAL 52 HB VAL 52 0.586 -19.047 -3.235 426 HG11 VAL 52 1HG1 VAL 52 -1.748 -20.931 -2.817 427 HG12 VAL 52 2HG1 VAL 52 -1.030 -19.812 -1.644 428 HG13 VAL 52 3HG1 VAL 52 -1.913 -19.178 -3.047 429 HG21 VAL 52 1HG2 VAL 52 1.836 -21.176 -3.688 430 HG22 VAL 52 2HG2 VAL 52 1.171 -21.107 -2.052 431 HG23 VAL 52 3HG2 VAL 52 0.372 -22.102 -3.287 432 H HIS 53 H HIS 53 1.752 -21.209 -6.001 433 HA HIS 53 HA HIS 53 3.883 -20.637 -6.757 434 HB2 HIS 53 1HB HIS 53 2.229 -18.487 -8.141 435 HB3 HIS 53 2HB HIS 53 3.933 -18.810 -8.472 436 HD1 HIS 53 HD1 HIS 53 0.491 -20.259 -9.057 437 HD2 HIS 53 HD2 HIS 53 4.492 -21.104 -9.910 438 HE1 HIS 53 HE1 HIS 53 0.513 -22.056 -10.849 439 H LEU 54 H LEU 54 3.727 -19.946 -4.253 440 HA LEU 54 HA LEU 54 3.427 -17.482 -3.244 441 HB2 LEU 54 1HB LEU 54 4.059 -19.607 -2.090 442 HB3 LEU 54 2HB LEU 54 5.743 -19.282 -2.488 443 HG LEU 54 HG LEU 54 4.354 -17.060 -1.111 444 HD11 LEU 54 1HD1 LEU 54 4.859 -19.690 0.334 445 HD12 LEU 54 2HD1 LEU 54 3.268 -18.959 0.005 446 HD13 LEU 54 3HD1 LEU 54 4.407 -18.147 1.097 447 HD21 LEU 54 1HD2 LEU 54 6.959 -18.555 -0.572 448 HD22 LEU 54 2HD2 LEU 54 6.440 -17.043 0.209 449 HD23 LEU 54 3HD2 LEU 54 6.791 -17.064 -1.529 450 H GLU 55 H GLU 55 6.505 -18.368 -4.899 451 HA GLU 55 HA GLU 55 7.928 -16.000 -4.230 452 HB2 GLU 55 1HB GLU 55 7.961 -17.624 -6.800 453 HB3 GLU 55 2HB GLU 55 9.224 -16.493 -6.295 454 HG2 GLU 55 1HG GLU 55 9.811 -17.924 -4.419 455 HG3 GLU 55 2HG GLU 55 8.447 -19.003 -4.770 456 H LYS 56 H LYS 56 5.865 -16.749 -7.050 457 HA LYS 56 HA LYS 56 6.209 -14.179 -8.326 458 HB2 LYS 56 1HB LYS 56 3.939 -16.184 -8.641 459 HB3 LYS 56 2HB LYS 56 4.367 -14.901 -9.774 460 HG2 LYS 56 1HG LYS 56 6.521 -16.050 -10.240 461 HG3 LYS 56 2HG LYS 56 6.064 -17.335 -9.100 462 HD2 LYS 56 1HD LYS 56 3.947 -17.640 -10.503 463 HD3 LYS 56 2HD LYS 56 4.717 -16.611 -11.724 464 HE2 LYS 56 1HE LYS 56 6.583 -18.184 -11.923 465 HE3 LYS 56 2HE LYS 56 5.935 -19.166 -10.592 466 HZ1 LYS 56 1HZ LYS 56 3.995 -19.651 -11.954 467 HZ2 LYS 56 2HZ LYS 56 5.363 -20.100 -12.758 468 HZ3 LYS 56 3HZ LYS 56 4.568 -18.721 -13.191 469 H LYS 57 H LYS 57 3.863 -15.637 -6.107 470 HA LYS 57 HA LYS 57 1.948 -13.514 -6.252 471 HB2 LYS 57 1HB LYS 57 2.281 -15.972 -4.862 472 HB3 LYS 57 2HB LYS 57 2.012 -14.737 -3.638 473 HG2 LYS 57 1HG LYS 57 0.229 -15.235 -6.057 474 HG3 LYS 57 2HG LYS 57 -0.087 -15.843 -4.428 475 HD2 LYS 57 1HD LYS 57 0.093 -12.882 -5.157 476 HD3 LYS 57 2HD LYS 57 -1.406 -13.808 -4.995 477 HE2 LYS 57 1HE LYS 57 -0.716 -14.375 -2.641 478 HE3 LYS 57 2HE LYS 57 0.645 -13.256 -2.830 479 HZ1 LYS 57 1HZ LYS 57 -0.967 -11.998 -1.841 480 HZ2 LYS 57 2HZ LYS 57 -2.216 -12.640 -2.730 481 HZ3 LYS 57 3HZ LYS 57 -1.165 -11.579 -3.425 482 H LEU 58 H LEU 58 4.666 -14.146 -3.972 483 HA LEU 58 HA LEU 58 4.286 -11.776 -2.427 484 HB2 LEU 58 1HB LEU 58 6.435 -13.753 -2.844 485 HB3 LEU 58 2HB LEU 58 7.033 -12.128 -2.546 486 HG LEU 58 HG LEU 58 5.715 -12.034 -0.442 487 HD11 LEU 58 1HD1 LEU 58 5.160 -14.948 -1.078 488 HD12 LEU 58 2HD1 LEU 58 3.967 -13.646 -0.884 489 HD13 LEU 58 3HD1 LEU 58 4.907 -14.193 0.512 490 HD21 LEU 58 1HD2 LEU 58 7.653 -14.370 -0.693 491 HD22 LEU 58 2HD2 LEU 58 7.221 -13.523 0.813 492 HD23 LEU 58 3HD2 LEU 58 8.096 -12.659 -0.466 493 H ARG 59 H ARG 59 6.170 -12.474 -5.397 494 HA ARG 59 HA ARG 59 7.375 -9.933 -5.595 495 HB2 ARG 59 1HB ARG 59 7.935 -11.926 -6.975 496 HB3 ARG 59 2HB ARG 59 6.442 -11.691 -7.890 497 HG2 ARG 59 1HG ARG 59 7.217 -9.582 -8.753 498 HG3 ARG 59 2HG ARG 59 8.639 -9.619 -7.686 499 HD2 ARG 59 1HD ARG 59 9.445 -11.645 -8.817 500 HD3 ARG 59 2HD ARG 59 8.022 -11.626 -9.881 501 HE ARG 59 HE ARG 59 9.176 -9.120 -10.185 502 HH11 ARG 59 1HH1 ARG 59 10.317 -12.426 -10.673 503 HH12 ARG 59 2HH1 ARG 59 11.410 -11.961 -11.948 504 HH21 ARG 59 1HH2 ARG 59 10.586 -8.604 -11.827 505 HH22 ARG 59 2HH2 ARG 59 11.564 -9.832 -12.582 506 H ASP 60 H ASP 60 4.118 -10.932 -6.852 507 HA ASP 60 HA ASP 60 3.805 -8.230 -7.919 508 HB2 ASP 60 1HB ASP 60 2.828 -10.307 -8.975 509 HB3 ASP 60 2HB ASP 60 1.599 -10.258 -7.698 510 H GLU 61 H GLU 61 2.683 -9.873 -4.935 511 HA GLU 61 HA GLU 61 0.711 -7.818 -4.398 512 HB2 GLU 61 1HB GLU 61 0.423 -8.840 -2.296 513 HB3 GLU 61 2HB GLU 61 0.787 -10.145 -3.411 514 HG2 GLU 61 1HG GLU 61 3.174 -10.020 -2.580 515 HG3 GLU 61 2HG GLU 61 2.608 -8.924 -1.323 516 H ILE 62 H ILE 62 4.115 -8.337 -3.418 517 HA ILE 62 HA ILE 62 4.382 -5.874 -1.995 518 HB ILE 62 HB ILE 62 6.519 -7.557 -3.406 519 HG12 ILE 62 1HG1 ILE 62 5.683 -7.504 -0.472 520 HG13 ILE 62 2HG1 ILE 62 5.144 -8.725 -1.606 521 HG21 ILE 62 1HG2 ILE 62 8.132 -6.427 -1.960 522 HG22 ILE 62 2HG2 ILE 62 7.216 -5.184 -2.829 523 HG23 ILE 62 3HG2 ILE 62 6.827 -5.552 -1.136 524 HD11 ILE 62 1HD1 ILE 62 7.579 -9.336 -1.977 525 HD12 ILE 62 2HD1 ILE 62 7.964 -8.269 -0.601 526 HD13 ILE 62 3HD1 ILE 62 6.925 -9.685 -0.364 527 H ASN 63 H ASN 63 4.606 -6.758 -5.466 528 HA ASN 63 HA ASN 63 5.653 -4.197 -6.305 529 HB2 ASN 63 1HB ASN 63 5.659 -6.189 -7.773 530 HB3 ASN 63 2HB ASN 63 3.893 -6.146 -7.822 531 HD21 ASN 63 1HD2 ASN 63 3.910 -4.176 -10.617 532 HD22 ASN 63 2HD2 ASN 63 3.247 -5.530 -9.720 533 H LEU 64 H LEU 64 2.343 -5.425 -5.705 534 HA LEU 64 HA LEU 64 1.003 -3.063 -6.682 535 HB2 LEU 64 1HB LEU 64 -0.183 -5.170 -6.288 536 HB3 LEU 64 2HB LEU 64 0.215 -5.122 -4.587 537 HG LEU 64 HG LEU 64 -2.153 -4.586 -5.209 538 HD11 LEU 64 1HD1 LEU 64 -2.504 -3.070 -3.450 539 HD12 LEU 64 2HD1 LEU 64 -0.925 -2.309 -3.642 540 HD13 LEU 64 3HD1 LEU 64 -1.043 -3.963 -3.001 541 HD21 LEU 64 1HD2 LEU 64 -2.731 -2.387 -6.021 542 HD22 LEU 64 2HD2 LEU 64 -1.599 -3.121 -7.173 543 HD23 LEU 64 3HD2 LEU 64 -1.037 -1.876 -6.032 544 H ALA 65 H ALA 65 2.133 -4.130 -3.430 545 HA ALA 65 HA ALA 65 1.306 -1.752 -2.094 546 HB1 ALA 65 1HB ALA 65 1.970 -3.785 -0.934 547 HB2 ALA 65 2HB ALA 65 3.640 -3.594 -1.524 548 HB3 ALA 65 3HB ALA 65 2.948 -2.404 -0.395 549 H LYS 66 H LYS 66 4.252 -2.521 -3.938 550 HA LYS 66 HA LYS 66 5.679 -0.108 -3.319 551 HB2 LYS 66 1HB LYS 66 6.645 -2.181 -4.342 552 HB3 LYS 66 2HB LYS 66 5.803 -1.790 -5.843 553 HG2 LYS 66 1HG LYS 66 7.070 0.330 -5.981 554 HG3 LYS 66 2HG LYS 66 7.952 -0.129 -4.509 555 HD2 LYS 66 1HD LYS 66 8.745 -2.175 -5.649 556 HD3 LYS 66 2HD LYS 66 7.876 -1.678 -7.120 557 HE2 LYS 66 1HE LYS 66 9.220 0.408 -7.188 558 HE3 LYS 66 2HE LYS 66 10.117 -0.139 -5.754 559 HZ1 LYS 66 1HZ LYS 66 11.286 -0.669 -7.804 560 HZ2 LYS 66 2HZ LYS 66 10.009 -1.562 -8.351 561 HZ3 LYS 66 3HZ LYS 66 10.854 -2.057 -7.023 562 H GLN 67 H GLN 67 3.241 -0.912 -5.818 563 HA GLN 67 HA GLN 67 3.510 1.562 -7.263 564 HB2 GLN 67 1HB GLN 67 2.226 -0.475 -8.062 565 HB3 GLN 67 2HB GLN 67 0.982 -0.086 -6.868 566 HG2 GLN 67 1HG GLN 67 0.844 2.218 -7.990 567 HG3 GLN 67 2HG GLN 67 1.781 1.504 -9.310 568 HE21 GLN 67 1HE2 GLN 67 -1.054 -0.956 -9.744 569 HE22 GLN 67 2HE2 GLN 67 0.595 -1.120 -9.188 570 H GLU 68 H GLU 68 1.197 0.478 -4.693 571 HA GLU 68 HA GLU 68 0.016 2.954 -4.159 572 HB2 GLU 68 1HB GLU 68 -0.420 0.607 -3.222 573 HB3 GLU 68 2HB GLU 68 0.824 0.962 -2.021 574 HG2 GLU 68 1HG GLU 68 -0.455 2.874 -1.232 575 HG3 GLU 68 2HG GLU 68 -1.661 2.607 -2.496 576 H ALA 69 H ALA 69 3.122 1.681 -2.813 577 HA ALA 69 HA ALA 69 3.631 3.889 -1.102 578 HB1 ALA 69 1HB ALA 69 5.975 3.112 -1.154 579 HB2 ALA 69 2HB ALA 69 4.843 1.756 -0.968 580 HB3 ALA 69 3HB ALA 69 5.604 2.072 -2.543 581 H GLN 70 H GLN 70 4.485 3.447 -4.569 582 HA GLN 70 HA GLN 70 6.056 5.848 -4.806 583 HB2 GLN 70 1HB GLN 70 6.078 4.095 -6.522 584 HB3 GLN 70 2HB GLN 70 4.359 4.326 -6.819 585 HG2 GLN 70 1HG GLN 70 5.557 5.353 -8.620 586 HG3 GLN 70 2HG GLN 70 4.815 6.632 -7.661 587 HE21 GLN 70 1HE2 GLN 70 7.950 8.171 -8.045 588 HE22 GLN 70 2HE2 GLN 70 6.276 8.123 -8.577 589 H ARG 71 H ARG 71 2.580 5.126 -5.151 590 HA ARG 71 HA ARG 71 1.819 7.772 -5.978 591 HB2 ARG 71 1HB ARG 71 0.270 5.598 -4.525 592 HB3 ARG 71 2HB ARG 71 -0.438 7.076 -5.159 593 HG2 ARG 71 1HG ARG 71 0.322 6.424 -7.437 594 HG3 ARG 71 2HG ARG 71 0.871 4.881 -6.770 595 HD2 ARG 71 1HD ARG 71 -1.442 4.487 -5.903 596 HD3 ARG 71 2HD ARG 71 -1.958 5.972 -6.716 597 HE ARG 71 HE ARG 71 -1.443 3.372 -7.929 598 HH11 ARG 71 1HH1 ARG 71 -1.578 6.854 -8.649 599 HH12 ARG 71 2HH1 ARG 71 -1.980 6.546 -10.325 600 HH21 ARG 71 1HH2 ARG 71 -1.903 3.104 -10.053 601 HH22 ARG 71 2HH2 ARG 71 -2.147 4.491 -11.099 602 H LEU 72 H LEU 72 2.227 6.258 -2.732 603 HA LEU 72 HA LEU 72 1.200 8.548 -1.325 604 HB2 LEU 72 1HB LEU 72 2.847 6.162 -0.545 605 HB3 LEU 72 2HB LEU 72 2.424 7.437 0.619 606 HG LEU 72 HG LEU 72 0.235 6.306 -1.093 607 HD11 LEU 72 1HD1 LEU 72 1.368 4.299 -0.343 608 HD12 LEU 72 2HD1 LEU 72 -0.206 4.489 0.444 609 HD13 LEU 72 3HD1 LEU 72 1.278 4.868 1.321 610 HD21 LEU 72 1HD2 LEU 72 -1.087 6.684 0.966 611 HD22 LEU 72 2HD2 LEU 72 -0.257 8.148 0.413 612 HD23 LEU 72 3HD2 LEU 72 0.388 7.237 1.790 613 H LYS 73 H LYS 73 4.386 7.586 -2.524 614 HA LYS 73 HA LYS 73 5.855 9.744 -1.292 615 HB2 LYS 73 1HB LYS 73 7.089 7.906 -2.253 616 HB3 LYS 73 2HB LYS 73 6.256 8.079 -3.785 617 HG2 LYS 73 1HG LYS 73 7.388 10.427 -3.898 618 HG3 LYS 73 2HG LYS 73 8.496 9.762 -2.691 619 HD2 LYS 73 1HD LYS 73 9.250 8.077 -4.179 620 HD3 LYS 73 2HD LYS 73 7.832 8.245 -5.229 621 HE2 LYS 73 1HE LYS 73 9.996 10.358 -4.897 622 HE3 LYS 73 2HE LYS 73 9.889 9.200 -6.241 623 HZ1 LYS 73 1HZ LYS 73 7.570 10.206 -6.583 624 HZ2 LYS 73 2HZ LYS 73 8.862 11.135 -7.022 625 HZ3 LYS 73 3HZ LYS 73 8.077 11.449 -5.616 626 H GLU 74 H GLU 74 4.197 9.456 -4.525 627 HA GLU 74 HA GLU 74 4.939 12.180 -5.191 628 HB2 GLU 74 1HB GLU 74 2.949 10.247 -6.386 629 HB3 GLU 74 2HB GLU 74 3.169 11.906 -6.983 630 HG2 GLU 74 1HG GLU 74 5.630 11.420 -7.204 631 HG3 GLU 74 2HG GLU 74 5.283 9.729 -6.832 632 H LEU 75 H LEU 75 2.151 10.744 -3.573 633 HA LEU 75 HA LEU 75 0.454 13.038 -3.505 634 HB2 LEU 75 1HB LEU 75 -0.173 10.741 -2.801 635 HB3 LEU 75 2HB LEU 75 0.966 10.837 -1.475 636 HG LEU 75 HG LEU 75 -0.427 12.665 -0.485 637 HD11 LEU 75 1HD1 LEU 75 -2.326 11.762 -2.644 638 HD12 LEU 75 2HD1 LEU 75 -1.661 13.392 -2.411 639 HD13 LEU 75 3HD1 LEU 75 -2.799 12.719 -1.226 640 HD21 LEU 75 1HD2 LEU 75 -2.098 11.078 0.380 641 HD22 LEU 75 2HD2 LEU 75 -0.482 10.358 0.299 642 HD23 LEU 75 3HD2 LEU 75 -1.697 9.946 -0.939 643 H ARG 76 H ARG 76 3.064 11.895 -1.345 644 HA ARG 76 HA ARG 76 2.990 14.055 0.519 645 HB2 ARG 76 1HB ARG 76 4.130 11.944 0.943 646 HB3 ARG 76 2HB ARG 76 5.243 12.230 -0.385 647 HG2 ARG 76 1HG ARG 76 5.175 14.275 1.766 648 HG3 ARG 76 2HG ARG 76 5.870 12.695 2.146 649 HD2 ARG 76 1HD ARG 76 7.267 12.935 0.018 650 HD3 ARG 76 2HD ARG 76 6.758 14.628 -0.007 651 HE ARG 76 HE ARG 76 7.869 14.967 2.122 652 HH11 ARG 76 1HH1 ARG 76 8.687 11.921 0.528 653 HH12 ARG 76 2HH1 ARG 76 10.144 11.717 1.464 654 HH21 ARG 76 1HH2 ARG 76 9.731 14.642 3.271 655 HH22 ARG 76 2HH2 ARG 76 10.730 13.241 2.980 656 H GLU 77 H GLU 77 4.521 13.740 -2.641 657 HA GLU 77 HA GLU 77 6.003 16.265 -2.309 658 HB2 GLU 77 1HB GLU 77 5.680 14.286 -4.579 659 HB3 GLU 77 2HB GLU 77 6.640 15.771 -4.718 660 HG2 GLU 77 1HG GLU 77 8.163 15.056 -2.988 661 HG3 GLU 77 2HG GLU 77 7.129 13.694 -2.550 662 H GLY 78 H GLY 78 2.854 15.632 -2.629 663 HA2 GLY 78 1HA GLY 78 2.151 17.494 -4.751 664 HA3 GLY 78 2HA GLY 78 1.060 16.687 -3.618 665 H THR 79 H THR 79 -0.077 18.695 -3.378 666 HA THR 79 HA THR 79 1.258 20.497 -1.412 667 HB THR 79 HB THR 79 -0.197 22.359 -2.617 668 HG1 THR 79 HG1 THR 79 -1.185 21.119 -4.198 669 HG21 THR 79 1HG2 THR 79 2.275 22.388 -2.480 670 HG22 THR 79 2HG2 THR 79 1.698 22.936 -4.073 671 HG23 THR 79 3HG2 THR 79 2.358 21.295 -3.883 672 H GLU 80 H GLU 80 -0.393 21.792 -0.217 673 HA GLU 80 HA GLU 80 -2.517 20.074 0.734 674 HB2 GLU 80 1HB GLU 80 -2.940 21.870 2.304 675 HB3 GLU 80 2HB GLU 80 -1.198 21.621 2.148 676 HG2 GLU 80 1HG GLU 80 -1.078 23.584 0.602 677 HG3 GLU 80 2HG GLU 80 -2.808 23.863 0.856 678 H ASN 81 H ASN 81 -2.542 21.456 -2.111 679 HA ASN 81 HA ASN 81 -5.425 21.803 -2.247 680 HB2 ASN 81 1HB ASN 81 -5.264 24.048 -1.726 681 HB3 ASN 81 2HB ASN 81 -3.547 24.126 -2.140 682 HD21 ASN 81 1HD2 ASN 81 -6.383 24.982 -4.928 683 HD22 ASN 81 2HD2 ASN 81 -6.816 24.277 -3.390 684 H GLU 82 H GLU 82 -6.072 21.464 -4.363 685 HA GLU 82 HA GLU 82 -4.178 20.197 -6.114 686 HB2 GLU 82 1HB GLU 82 -7.034 21.008 -6.747 687 HB3 GLU 82 2HB GLU 82 -6.081 19.715 -7.486 688 HG2 GLU 82 1HG GLU 82 -7.205 19.823 -4.671 689 HG3 GLU 82 2HG GLU 82 -7.684 18.734 -5.979 690 H ARG 83 H ARG 83 -3.193 22.803 -5.916 691 HA ARG 83 HA ARG 83 -3.991 24.493 -8.112 692 HB2 ARG 83 1HB ARG 83 -1.824 24.336 -6.195 693 HB3 ARG 83 2HB ARG 83 -1.153 24.629 -7.803 694 HG2 ARG 83 1HG ARG 83 -2.436 26.632 -8.084 695 HG3 ARG 83 2HG ARG 83 -3.426 26.280 -6.656 696 HD2 ARG 83 1HD ARG 83 -0.435 26.786 -6.566 697 HD3 ARG 83 2HD ARG 83 -1.672 28.029 -6.284 698 HE ARG 83 HE ARG 83 -2.258 25.852 -4.576 699 HH11 ARG 83 1HH1 ARG 83 0.267 28.300 -4.931 700 HH12 ARG 83 2HH1 ARG 83 0.694 28.277 -3.235 701 HH21 ARG 83 1HH2 ARG 83 -1.676 25.873 -2.418 702 HH22 ARG 83 2HH2 ARG 83 -0.414 26.932 -1.842 703 H SER 84 H SER 84 -3.243 24.520 -10.268 704 HA SER 84 HA SER 84 -3.333 22.204 -11.618 705 HB2 SER 84 1HB SER 84 -1.513 24.157 -12.864 706 HB3 SER 84 2HB SER 84 -3.076 23.512 -13.421 707 HG SER 84 HG SER 84 -3.404 25.645 -12.892 708 H ARG 85 H ARG 85 -0.216 23.371 -10.320 709 HA ARG 85 HA ARG 85 1.409 21.647 -11.937 710 HB2 ARG 85 1HB ARG 85 2.103 23.650 -10.470 711 HB3 ARG 85 2HB ARG 85 2.087 22.524 -9.109 712 HG2 ARG 85 1HG ARG 85 3.627 21.649 -11.515 713 HG3 ARG 85 2HG ARG 85 4.277 23.061 -10.668 714 HD2 ARG 85 1HD ARG 85 3.570 20.472 -9.260 715 HD3 ARG 85 2HD ARG 85 5.171 20.785 -9.939 716 HE ARG 85 HE ARG 85 4.613 22.975 -8.307 717 HH11 ARG 85 1HH1 ARG 85 4.938 19.485 -7.777 718 HH12 ARG 85 2HH1 ARG 85 5.528 19.707 -6.145 719 HH21 ARG 85 1HH2 ARG 85 5.358 23.153 -6.213 720 HH22 ARG 85 2HH2 ARG 85 5.732 21.725 -5.286 721 H GLN 86 H GLN 86 -0.394 21.128 -8.944 722 HA GLN 86 HA GLN 86 0.276 18.214 -9.094 723 HB2 GLN 86 1HB GLN 86 -0.064 19.910 -6.587 724 HB3 GLN 86 2HB GLN 86 0.079 18.152 -6.613 725 HG2 GLN 86 1HG GLN 86 2.209 20.122 -7.479 726 HG3 GLN 86 2HG GLN 86 2.178 19.231 -5.961 727 HE21 GLN 86 1HE2 GLN 86 2.737 16.040 -7.843 728 HE22 GLN 86 2HE2 GLN 86 1.476 16.657 -6.806 729 H LYS 87 H LYS 87 -1.768 19.241 -10.512 730 HA LYS 87 HA LYS 87 -4.243 19.685 -9.186 731 HB2 LYS 87 1HB LYS 87 -3.794 20.108 -11.592 732 HB3 LYS 87 2HB LYS 87 -3.684 18.377 -11.890 733 HG2 LYS 87 1HG LYS 87 -6.217 19.378 -10.644 734 HG3 LYS 87 2HG LYS 87 -5.926 19.815 -12.335 735 HD2 LYS 87 1HD LYS 87 -6.232 17.673 -13.093 736 HD3 LYS 87 2HD LYS 87 -5.427 16.949 -11.690 737 HE2 LYS 87 1HE LYS 87 -7.445 17.446 -10.303 738 HE3 LYS 87 2HE LYS 87 -8.268 18.037 -11.763 739 HZ1 LYS 87 1HZ LYS 87 -8.818 15.730 -11.295 740 HZ2 LYS 87 2HZ LYS 87 -7.236 15.274 -11.347 741 HZ3 LYS 87 3HZ LYS 87 -7.985 15.811 -12.714 742 H TYR 88 H TYR 88 -2.459 16.749 -9.746 743 HA TYR 88 HA TYR 88 -4.826 15.087 -9.215 744 HB2 TYR 88 1HB TYR 88 -3.518 13.260 -10.043 745 HB3 TYR 88 2HB TYR 88 -3.328 14.616 -11.154 746 HD1 TYR 88 HD1 TYR 88 -1.621 12.177 -9.099 747 HD2 TYR 88 HD2 TYR 88 -1.114 16.040 -10.946 748 HE1 TYR 88 HE1 TYR 88 0.858 11.943 -8.917 749 HE2 TYR 88 HE2 TYR 88 1.368 15.803 -10.730 750 HH TYR 88 HH TYR 88 2.919 12.836 -9.490 751 H ALA 89 H ALA 89 -3.240 16.656 -6.962 752 HA ALA 89 HA ALA 89 -1.736 14.608 -5.635 753 HB1 ALA 89 1HB ALA 89 -3.057 17.108 -4.482 754 HB2 ALA 89 2HB ALA 89 -1.818 16.120 -3.672 755 HB3 ALA 89 3HB ALA 89 -1.418 17.005 -5.162 756 H GLU 90 H GLU 90 -5.057 15.877 -4.713 757 HA GLU 90 HA GLU 90 -5.298 13.625 -2.848 758 HB2 GLU 90 1HB GLU 90 -7.249 15.719 -3.820 759 HB3 GLU 90 2HB GLU 90 -7.723 14.407 -2.732 760 HG2 GLU 90 1HG GLU 90 -5.549 16.466 -2.164 761 HG3 GLU 90 2HG GLU 90 -7.184 16.478 -1.485 762 H GLU 91 H GLU 91 -5.838 14.110 -6.199 763 HA GLU 91 HA GLU 91 -7.666 11.918 -6.663 764 HB2 GLU 91 1HB GLU 91 -7.067 13.739 -8.313 765 HB3 GLU 91 2HB GLU 91 -5.469 13.013 -8.444 766 HG2 GLU 91 1HG GLU 91 -6.622 10.879 -9.186 767 HG3 GLU 91 2HG GLU 91 -8.094 11.853 -9.343 768 H GLU 92 H GLU 92 -4.134 12.272 -6.200 769 HA GLU 92 HA GLU 92 -3.471 9.609 -7.034 770 HB2 GLU 92 1HB GLU 92 -1.851 11.502 -6.819 771 HB3 GLU 92 2HB GLU 92 -2.025 11.419 -5.070 772 HG2 GLU 92 1HG GLU 92 -0.022 10.348 -5.599 773 HG3 GLU 92 2HG GLU 92 -1.174 9.086 -5.152 774 H LEU 93 H LEU 93 -4.573 11.060 -3.989 775 HA LEU 93 HA LEU 93 -4.127 8.685 -2.417 776 HB2 LEU 93 1HB LEU 93 -4.454 10.964 -1.483 777 HB3 LEU 93 2HB LEU 93 -6.138 10.912 -1.980 778 HG LEU 93 HG LEU 93 -6.612 9.130 -0.409 779 HD11 LEU 93 1HD1 LEU 93 -4.912 8.377 1.254 780 HD12 LEU 93 2HD1 LEU 93 -3.658 9.204 0.307 781 HD13 LEU 93 3HD1 LEU 93 -4.554 7.839 -0.394 782 HD21 LEU 93 1HD2 LEU 93 -4.968 11.326 0.907 783 HD22 LEU 93 2HD2 LEU 93 -6.271 10.381 1.663 784 HD23 LEU 93 3HD2 LEU 93 -6.638 11.510 0.337 785 H GLU 94 H GLU 94 -6.797 9.815 -4.505 786 HA GLU 94 HA GLU 94 -8.641 7.723 -3.764 787 HB2 GLU 94 1HB GLU 94 -9.115 9.841 -5.139 788 HB3 GLU 94 2HB GLU 94 -8.400 8.987 -6.508 789 HG2 GLU 94 1HG GLU 94 -10.696 8.636 -6.771 790 HG3 GLU 94 2HG GLU 94 -10.126 7.131 -6.033 791 H GLN 95 H GLN 95 -5.995 7.990 -6.156 792 HA GLN 95 HA GLN 95 -6.486 5.347 -7.249 793 HB2 GLN 95 1HB GLN 95 -4.088 7.194 -7.429 794 HB3 GLN 95 2HB GLN 95 -4.270 5.678 -8.330 795 HG2 GLN 95 1HG GLN 95 -6.348 6.554 -9.378 796 HG3 GLN 95 2HG GLN 95 -6.140 8.075 -8.516 797 HE21 GLN 95 1HE2 GLN 95 -4.190 9.478 -10.998 798 HE22 GLN 95 2HE2 GLN 95 -5.246 9.666 -9.625 799 H VAL 96 H VAL 96 -4.652 6.554 -4.485 800 HA VAL 96 HA VAL 96 -3.169 4.119 -3.942 801 HB VAL 96 HB VAL 96 -4.121 6.465 -2.253 802 HG11 VAL 96 1HG1 VAL 96 -2.833 5.500 -0.311 803 HG12 VAL 96 2HG1 VAL 96 -4.361 4.681 -0.676 804 HG13 VAL 96 3HG1 VAL 96 -2.826 3.952 -1.171 805 HG21 VAL 96 1HG2 VAL 96 -1.785 6.941 -1.994 806 HG22 VAL 96 2HG2 VAL 96 -1.344 5.409 -2.785 807 HG23 VAL 96 3HG2 VAL 96 -2.137 6.703 -3.712 808 H ARG 97 H ARG 97 -6.422 5.361 -3.067 809 HA ARG 97 HA ARG 97 -7.146 3.104 -1.453 810 HB2 ARG 97 1HB ARG 97 -8.919 4.900 -3.143 811 HB3 ARG 97 2HB ARG 97 -9.506 3.753 -1.945 812 HG2 ARG 97 1HG ARG 97 -8.695 5.027 -0.138 813 HG3 ARG 97 2HG ARG 97 -7.555 5.911 -1.157 814 HD2 ARG 97 1HD ARG 97 -9.754 6.688 -2.400 815 HD3 ARG 97 2HD ARG 97 -10.509 6.315 -0.844 816 HE ARG 97 HE ARG 97 -8.276 7.860 -0.230 817 HH11 ARG 97 1HH1 ARG 97 -11.120 8.368 -2.273 818 HH12 ARG 97 2HH1 ARG 97 -11.096 10.093 -2.015 819 HH21 ARG 97 1HH2 ARG 97 -8.316 10.084 0.026 820 HH22 ARG 97 2HH2 ARG 97 -9.539 11.039 -0.765 821 H GLU 98 H GLU 98 -7.316 3.676 -5.002 822 HA GLU 98 HA GLU 98 -8.635 1.135 -5.453 823 HB2 GLU 98 1HB GLU 98 -8.723 3.044 -7.026 824 HB3 GLU 98 2HB GLU 98 -7.023 2.778 -7.418 825 HG2 GLU 98 1HG GLU 98 -8.496 1.800 -9.136 826 HG3 GLU 98 2HG GLU 98 -7.551 0.547 -8.327 827 H ALA 99 H ALA 99 -5.188 2.071 -5.184 828 HA ALA 99 HA ALA 99 -4.061 -0.420 -6.125 829 HB1 ALA 99 1HB ALA 99 -2.101 0.201 -4.831 830 HB2 ALA 99 2HB ALA 99 -2.726 1.625 -5.699 831 HB3 ALA 99 3HB ALA 99 -3.027 1.435 -3.957 832 H LEU 100 H LEU 100 -4.982 0.796 -2.872 833 HA LEU 100 HA LEU 100 -4.543 -1.639 -1.485 834 HB2 LEU 100 1HB LEU 100 -4.911 0.668 -0.526 835 HB3 LEU 100 2HB LEU 100 -6.629 0.475 -0.864 836 HG LEU 100 HG LEU 100 -6.683 -1.484 0.685 837 HD11 LEU 100 1HD1 LEU 100 -3.791 -0.663 1.220 838 HD12 LEU 100 2HD1 LEU 100 -4.365 -2.232 0.615 839 HD13 LEU 100 3HD1 LEU 100 -4.742 -1.738 2.276 840 HD21 LEU 100 1HD2 LEU 100 -6.520 -0.132 2.738 841 HD22 LEU 100 2HD2 LEU 100 -7.288 0.786 1.427 842 HD23 LEU 100 3HD2 LEU 100 -5.588 1.105 1.857 843 H ARG 101 H ARG 101 -7.322 -0.448 -3.335 844 HA ARG 101 HA ARG 101 -9.127 -2.565 -2.598 845 HB2 ARG 101 1HB ARG 101 -9.518 -0.275 -3.774 846 HB3 ARG 101 2HB ARG 101 -9.197 -1.174 -5.255 847 HG2 ARG 101 1HG ARG 101 -11.037 -2.739 -4.572 848 HG3 ARG 101 2HG ARG 101 -11.378 -1.627 -3.223 849 HD2 ARG 101 1HD ARG 101 -11.496 0.224 -4.897 850 HD3 ARG 101 2HD ARG 101 -11.378 -0.998 -6.173 851 HE ARG 101 HE ARG 101 -13.508 -1.676 -4.409 852 HH11 ARG 101 1HH1 ARG 101 -12.666 0.696 -6.901 853 HH12 ARG 101 2HH1 ARG 101 -14.340 0.973 -7.334 854 HH21 ARG 101 1HH2 ARG 101 -15.616 -1.282 -5.017 855 HH22 ARG 101 2HH2 ARG 101 -15.986 -0.145 -6.286 856 H LYS 102 H LYS 102 -6.612 -2.281 -5.150 857 HA LYS 102 HA LYS 102 -7.413 -4.700 -6.524 858 HB2 LYS 102 1HB LYS 102 -5.755 -3.023 -7.424 859 HB3 LYS 102 2HB LYS 102 -4.589 -3.607 -6.238 860 HG2 LYS 102 1HG LYS 102 -5.824 -5.684 -8.026 861 HG3 LYS 102 2HG LYS 102 -4.718 -4.530 -8.788 862 HD2 LYS 102 1HD LYS 102 -2.991 -5.111 -7.074 863 HD3 LYS 102 2HD LYS 102 -4.059 -6.369 -6.443 864 HE2 LYS 102 1HE LYS 102 -3.977 -7.533 -8.614 865 HE3 LYS 102 2HE LYS 102 -2.983 -6.227 -9.296 866 HZ1 LYS 102 1HZ LYS 102 -1.294 -6.794 -7.565 867 HZ2 LYS 102 2HZ LYS 102 -1.539 -8.022 -8.633 868 HZ3 LYS 102 3HZ LYS 102 -2.202 -8.097 -7.120 869 H ALA 103 H ALA 103 -5.275 -3.955 -3.732 870 HA ALA 103 HA ALA 103 -4.557 -6.706 -3.286 871 HB1 ALA 103 1HB ALA 103 -4.777 -4.444 -1.250 872 HB2 ALA 103 2HB ALA 103 -3.884 -5.964 -1.050 873 HB3 ALA 103 3HB ALA 103 -3.364 -4.788 -2.263 874 H GLU 104 H GLU 104 -7.334 -4.747 -2.168 875 HA GLU 104 HA GLU 104 -8.480 -6.630 -0.358 876 HB2 GLU 104 1HB GLU 104 -9.134 -4.244 -0.586 877 HB3 GLU 104 2HB GLU 104 -9.801 -4.591 -2.173 878 HG2 GLU 104 1HG GLU 104 -11.440 -6.143 -1.099 879 HG3 GLU 104 2HG GLU 104 -10.850 -5.571 0.474 880 H LYS 105 H LYS 105 -9.064 -6.140 -3.875 881 HA LYS 105 HA LYS 105 -10.987 -8.297 -4.068 882 HB2 LYS 105 1HB LYS 105 -9.293 -6.830 -6.113 883 HB3 LYS 105 2HB LYS 105 -10.481 -8.069 -6.549 884 HG2 LYS 105 1HG LYS 105 -12.299 -6.775 -5.625 885 HG3 LYS 105 2HG LYS 105 -11.190 -5.577 -4.947 886 HD2 LYS 105 1HD LYS 105 -11.389 -6.101 -7.934 887 HD3 LYS 105 2HD LYS 105 -12.413 -4.926 -7.085 888 HE2 LYS 105 1HE LYS 105 -10.323 -3.829 -6.213 889 HE3 LYS 105 2HE LYS 105 -9.378 -4.885 -7.268 890 HZ1 LYS 105 1HZ LYS 105 -11.478 -3.066 -8.269 891 HZ2 LYS 105 2HZ LYS 105 -10.338 -3.859 -9.157 892 HZ3 LYS 105 3HZ LYS 105 -9.899 -2.614 -8.155 893 H GLU 106 H GLU 106 -7.467 -8.091 -4.372 894 HA GLU 106 HA GLU 106 -7.078 -10.729 -5.437 895 HB2 GLU 106 1HB GLU 106 -5.421 -8.866 -5.387 896 HB3 GLU 106 2HB GLU 106 -5.270 -9.061 -3.644 897 HG2 GLU 106 1HG GLU 106 -4.316 -11.236 -3.907 898 HG3 GLU 106 2HG GLU 106 -4.634 -11.215 -5.655 899 H LEU 107 H LEU 107 -7.279 -9.377 -2.123 900 HA LEU 107 HA LEU 107 -6.870 -11.855 -0.744 901 HB2 LEU 107 1HB LEU 107 -6.759 -9.684 0.388 902 HB3 LEU 107 2HB LEU 107 -8.457 -9.392 0.043 903 HG LEU 107 HG LEU 107 -9.112 -11.258 1.508 904 HD11 LEU 107 1HD1 LEU 107 -6.130 -11.487 2.030 905 HD12 LEU 107 2HD1 LEU 107 -7.216 -12.738 1.397 906 HD13 LEU 107 3HD1 LEU 107 -7.377 -12.199 3.076 907 HD21 LEU 107 1HD2 LEU 107 -8.959 -8.957 2.367 908 HD22 LEU 107 2HD2 LEU 107 -7.271 -9.243 2.845 909 HD23 LEU 107 3HD2 LEU 107 -8.583 -10.154 3.620 910 H GLU 108 H GLU 108 -9.810 -10.312 -2.104 911 HA GLU 108 HA GLU 108 -11.698 -12.125 -0.996 912 HB2 GLU 108 1HB GLU 108 -12.224 -9.997 -2.196 913 HB3 GLU 108 2HB GLU 108 -11.772 -10.773 -3.714 914 HG2 GLU 108 1HG GLU 108 -13.591 -12.393 -3.459 915 HG3 GLU 108 2HG GLU 108 -14.030 -11.664 -1.905 916 H SER 109 H SER 109 -9.926 -12.250 -4.149 917 HA SER 109 HA SER 109 -10.951 -14.785 -4.953 918 HB2 SER 109 1HB SER 109 -8.595 -14.857 -6.166 919 HB3 SER 109 2HB SER 109 -9.864 -13.726 -6.678 920 HG SER 109 HG SER 109 -7.838 -13.038 -4.792 921 H HIS 110 H HIS 110 -8.233 -13.923 -2.825 922 HA HIS 110 HA HIS 110 -7.244 -16.666 -2.687 923 HB2 HIS 110 1HB HIS 110 -6.757 -14.204 -0.971 924 HB3 HIS 110 2HB HIS 110 -5.927 -15.738 -0.775 925 HD1 HIS 110 HD1 HIS 110 -5.839 -15.936 -4.176 926 HD2 HIS 110 HD2 HIS 110 -4.166 -13.174 -1.516 927 HE1 HIS 110 HE1 HIS 110 -3.884 -14.851 -5.353 928 H SER 111 H SER 111 -10.006 -15.226 -1.444 929 HA SER 111 HA SER 111 -10.079 -17.149 0.856 930 HB2 SER 111 1HB SER 111 -11.500 -15.456 1.999 931 HB3 SER 111 2HB SER 111 -9.864 -14.843 1.664 932 HG SER 111 HG SER 111 -10.630 -13.674 -0.034 933 H SER 112 H SER 112 -11.203 -16.721 -2.163 934 HA SER 112 HA SER 112 -14.057 -16.812 -1.833 935 HB2 SER 112 1HB SER 112 -12.258 -17.667 -4.120 936 HB3 SER 112 2HB SER 112 -14.028 -17.544 -4.216 937 HG SER 112 HG SER 112 -12.546 -15.338 -3.262 938 H TRP 113 H TRP 113 -12.055 -19.102 -0.722 939 HA TRP 113 HA TRP 113 -12.265 -21.257 -0.070 940 HB2 TRP 113 1HB TRP 113 -15.218 -21.026 -0.692 941 HB3 TRP 113 2HB TRP 113 -14.429 -22.115 0.461 942 HD1 TRP 113 HD1 TRP 113 -15.918 -18.694 0.215 943 HE1 TRP 113 HE1 TRP 113 -15.722 -17.427 2.407 944 HE3 TRP 113 HE3 TRP 113 -12.635 -21.847 2.552 945 HZ2 TRP 113 HZ2 TRP 113 -14.357 -17.754 4.896 946 HZ3 TRP 113 HZ3 TRP 113 -11.917 -21.313 4.892 947 HH2 TRP 113 HH2 TRP 113 -12.787 -19.281 6.047 948 H TYR 114 H TYR 114 -14.285 -23.160 -0.947 949 HA TYR 114 HA TYR 114 -14.498 -24.943 -2.296 950 HB2 TYR 114 1HB TYR 114 -13.490 -23.142 -4.516 951 HB3 TYR 114 2HB TYR 114 -14.138 -24.766 -4.733 952 HD1 TYR 114 HD1 TYR 114 -14.968 -21.249 -4.121 953 HD2 TYR 114 HD2 TYR 114 -16.552 -25.247 -4.253 954 HE1 TYR 114 HE1 TYR 114 -17.286 -20.330 -4.193 955 HE2 TYR 114 HE2 TYR 114 -18.869 -24.320 -4.336 956 HH TYR 114 HH TYR 114 -20.164 -22.443 -4.368 957 H ALA 115 H ALA 115 -13.423 -26.737 -3.174 958 HA ALA 115 HA ALA 115 -10.549 -26.746 -3.579 959 HB1 ALA 115 1HB ALA 115 -10.130 -28.381 -1.719 960 HB2 ALA 115 2HB ALA 115 -10.572 -26.776 -1.087 961 HB3 ALA 115 3HB ALA 115 -11.776 -28.092 -1.107 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 18.346 30.240 -2.163 2 H2 GLY 1 2H GLY 1 16.994 31.090 -2.581 3 H3 GLY 1 3H GLY 1 17.210 29.560 -3.151 4 HA2 GLY 1 1HA GLY 1 17.031 28.638 -0.955 5 HA3 GLY 1 2HA GLY 1 16.824 30.286 -0.326 6 H SER 2 H SER 2 14.905 28.147 0.023 7 HA SER 2 HA SER 2 12.706 29.063 -1.784 8 HB2 SER 2 1HB SER 2 13.230 26.387 -0.470 9 HB3 SER 2 2HB SER 2 11.740 26.809 -1.339 10 HG SER 2 HG SER 2 12.783 26.850 -3.196 11 HA PRO 3 HA PRO 3 11.323 30.156 2.466 12 HB2 PRO 3 1HB PRO 3 9.986 32.450 1.859 13 HB3 PRO 3 2HB PRO 3 11.768 32.413 2.055 14 HG2 PRO 3 1HG PRO 3 10.152 32.245 -0.483 15 HG3 PRO 3 2HG PRO 3 11.507 33.352 -0.083 16 HD2 PRO 3 1HD PRO 3 11.915 31.092 -1.494 17 HD3 PRO 3 2HD PRO 3 13.105 31.641 -0.263 18 H GLU 4 H GLU 4 9.759 29.512 -0.576 19 HA GLU 4 HA GLU 4 7.045 29.722 0.215 20 HB2 GLU 4 1HB GLU 4 6.580 28.158 -1.619 21 HB3 GLU 4 2HB GLU 4 7.619 29.484 -2.109 22 HG2 GLU 4 1HG GLU 4 8.852 26.819 -1.354 23 HG3 GLU 4 2HG GLU 4 8.085 27.026 -2.928 24 H PHE 5 H PHE 5 9.433 27.149 0.879 25 HA PHE 5 HA PHE 5 7.453 25.241 1.740 26 HB2 PHE 5 1HB PHE 5 10.382 25.568 2.479 27 HB3 PHE 5 2HB PHE 5 9.368 24.213 2.992 28 HD1 PHE 5 HD1 PHE 5 7.963 23.131 0.904 29 HD2 PHE 5 HD2 PHE 5 11.757 25.134 0.656 30 HE1 PHE 5 HE1 PHE 5 8.435 21.945 -1.230 31 HE2 PHE 5 HE2 PHE 5 12.246 23.951 -1.487 32 HZ PHE 5 HZ PHE 5 10.578 22.358 -2.436 33 H ASN 6 H ASN 6 9.038 27.993 3.301 34 HA ASN 6 HA ASN 6 8.034 27.269 5.953 35 HB2 ASN 6 1HB ASN 6 9.155 29.885 4.863 36 HB3 ASN 6 2HB ASN 6 8.722 29.598 6.552 37 HD21 ASN 6 1HD2 ASN 6 12.389 28.985 5.840 38 HD22 ASN 6 2HD2 ASN 6 11.312 30.278 5.369 39 H ARG 7 H ARG 7 7.078 29.343 3.224 40 HA ARG 7 HA ARG 7 4.882 30.677 4.486 41 HB2 ARG 7 1HB ARG 7 5.927 31.241 2.265 42 HB3 ARG 7 2HB ARG 7 5.160 29.804 1.584 43 HG2 ARG 7 1HG ARG 7 2.933 30.752 2.146 44 HG3 ARG 7 2HG ARG 7 3.740 32.230 2.714 45 HD2 ARG 7 1HD ARG 7 4.733 32.538 0.476 46 HD3 ARG 7 2HD ARG 7 3.943 31.048 -0.079 47 HE ARG 7 HE ARG 7 1.988 32.829 1.002 48 HH11 ARG 7 1HH1 ARG 7 4.003 32.452 -1.870 49 HH12 ARG 7 2HH1 ARG 7 2.905 33.359 -2.874 50 HH21 ARG 7 1HH2 ARG 7 0.628 33.964 -0.343 51 HH22 ARG 7 2HH2 ARG 7 1.031 34.202 -2.020 52 H TYR 8 H TYR 8 5.159 27.531 2.874 53 HA TYR 8 HA TYR 8 2.273 27.008 3.376 54 HB2 TYR 8 1HB TYR 8 4.288 25.444 1.745 55 HB3 TYR 8 2HB TYR 8 2.542 25.199 1.776 56 HD1 TYR 8 HD1 TYR 8 1.664 28.146 1.595 57 HD2 TYR 8 HD2 TYR 8 4.670 25.934 -0.546 58 HE1 TYR 8 HE1 TYR 8 1.448 29.706 -0.327 59 HE2 TYR 8 HE2 TYR 8 4.440 27.499 -2.468 60 HH TYR 8 HH TYR 8 3.350 29.301 -3.322 61 H SER 9 H SER 9 4.729 26.860 5.332 62 HA SER 9 HA SER 9 5.364 24.181 5.851 63 HB2 SER 9 1HB SER 9 5.905 24.978 8.163 64 HB3 SER 9 2HB SER 9 6.595 25.980 6.870 65 HG SER 9 HG SER 9 5.339 27.596 7.407 66 H LYS 10 H LYS 10 2.537 25.996 7.050 67 HA LYS 10 HA LYS 10 1.799 24.033 8.977 68 HB2 LYS 10 1HB LYS 10 -0.264 25.134 9.197 69 HB3 LYS 10 2HB LYS 10 0.936 26.382 8.896 70 HG2 LYS 10 1HG LYS 10 -1.082 25.339 6.847 71 HG3 LYS 10 2HG LYS 10 -1.242 26.818 7.788 72 HD2 LYS 10 1HD LYS 10 0.870 27.682 6.692 73 HD3 LYS 10 2HD LYS 10 0.825 26.259 5.630 74 HE2 LYS 10 1HE LYS 10 -1.487 26.919 4.921 75 HE3 LYS 10 2HE LYS 10 -1.314 28.404 5.881 76 HZ1 LYS 10 1HZ LYS 10 0.211 27.593 3.482 77 HZ2 LYS 10 2HZ LYS 10 0.724 28.830 4.461 78 HZ3 LYS 10 3HZ LYS 10 -0.729 28.925 3.669 79 H GLU 11 H GLU 11 0.934 24.343 5.523 80 HA GLU 11 HA GLU 11 -0.830 22.040 5.653 81 HB2 GLU 11 1HB GLU 11 0.322 23.701 3.399 82 HB3 GLU 11 2HB GLU 11 -0.627 22.237 3.101 83 HG2 GLU 11 1HG GLU 11 -1.577 24.677 4.634 84 HG3 GLU 11 2HG GLU 11 -2.038 24.242 2.980 85 H HIS 12 H HIS 12 2.555 22.685 4.642 86 HA HIS 12 HA HIS 12 3.033 20.066 3.617 87 HB2 HIS 12 1HB HIS 12 4.814 22.160 4.879 88 HB3 HIS 12 2HB HIS 12 5.440 20.556 4.482 89 HD1 HIS 12 HD1 HIS 12 4.760 19.852 1.771 90 HD2 HIS 12 HD2 HIS 12 5.245 23.857 2.837 91 HE1 HIS 12 HE1 HIS 12 5.259 21.114 -0.348 92 H MET 13 H MET 13 3.221 21.361 6.965 93 HA MET 13 HA MET 13 4.265 18.925 8.064 94 HB2 MET 13 1HB MET 13 4.322 21.129 9.201 95 HB3 MET 13 2HB MET 13 2.569 21.061 9.404 96 HG2 MET 13 1HG MET 13 2.812 19.021 10.780 97 HG3 MET 13 2HG MET 13 4.571 19.105 10.587 98 HE1 MET 13 1HE MET 13 5.469 22.079 10.957 99 HE2 MET 13 2HE MET 13 5.623 22.167 12.726 100 HE3 MET 13 3HE MET 13 6.153 20.706 11.861 101 H LYS 14 H LYS 14 0.910 20.218 7.829 102 HA LYS 14 HA LYS 14 -0.361 18.025 9.127 103 HB2 LYS 14 1HB LYS 14 -1.391 20.232 8.542 104 HB3 LYS 14 2HB LYS 14 -1.374 19.761 6.844 105 HG2 LYS 14 1HG LYS 14 -2.904 17.847 7.404 106 HG3 LYS 14 2HG LYS 14 -2.963 18.448 9.074 107 HD2 LYS 14 1HD LYS 14 -4.898 19.352 8.042 108 HD3 LYS 14 2HD LYS 14 -3.732 20.690 8.071 109 HE2 LYS 14 1HE LYS 14 -3.092 20.062 5.693 110 HE3 LYS 14 2HE LYS 14 -4.432 18.902 5.702 111 HZ1 LYS 14 1HZ LYS 14 -5.054 21.005 4.715 112 HZ2 LYS 14 2HZ LYS 14 -4.644 21.838 6.066 113 HZ3 LYS 14 3HZ LYS 14 -5.928 20.786 6.106 114 H LYS 15 H LYS 15 0.256 18.628 5.654 115 HA LYS 15 HA LYS 15 -0.880 16.175 4.750 116 HB2 LYS 15 1HB LYS 15 1.145 18.088 3.560 117 HB3 LYS 15 2HB LYS 15 0.690 16.609 2.734 118 HG2 LYS 15 1HG LYS 15 -1.323 18.732 3.586 119 HG3 LYS 15 2HG LYS 15 -0.569 18.688 1.986 120 HD2 LYS 15 1HD LYS 15 -2.144 16.324 3.093 121 HD3 LYS 15 2HD LYS 15 -2.919 17.638 2.200 122 HE2 LYS 15 1HE LYS 15 -1.970 17.028 0.183 123 HE3 LYS 15 2HE LYS 15 -0.525 16.336 0.949 124 HZ1 LYS 15 1HZ LYS 15 -1.969 14.505 1.750 125 HZ2 LYS 15 2HZ LYS 15 -1.817 14.567 0.115 126 HZ3 LYS 15 3HZ LYS 15 -3.211 15.102 0.806 127 H MET 16 H MET 16 2.639 16.998 5.335 128 HA MET 16 HA MET 16 3.410 14.349 4.683 129 HB2 MET 16 1HB MET 16 5.521 14.782 5.571 130 HB3 MET 16 2HB MET 16 4.957 16.331 4.949 131 HG2 MET 16 1HG MET 16 4.395 16.993 7.279 132 HG3 MET 16 2HG MET 16 5.057 15.453 7.849 133 HE1 MET 16 1HE MET 16 7.915 17.828 8.989 134 HE2 MET 16 2HE MET 16 6.158 18.096 9.084 135 HE3 MET 16 3HE MET 16 6.834 16.487 9.438 136 H MET 17 H MET 17 2.204 15.675 7.777 137 HA MET 17 HA MET 17 2.935 13.429 9.355 138 HB2 MET 17 1HB MET 17 2.033 15.640 10.187 139 HB3 MET 17 2HB MET 17 0.429 15.118 9.674 140 HG2 MET 17 1HG MET 17 0.662 14.723 12.040 141 HG3 MET 17 2HG MET 17 0.616 13.161 11.207 142 HE1 MET 17 1HE MET 17 2.679 15.668 13.370 143 HE2 MET 17 2HE MET 17 4.346 15.062 13.235 144 HE3 MET 17 3HE MET 17 3.577 15.861 11.845 145 H LYS 18 H LYS 18 -0.129 14.070 7.497 146 HA LYS 18 HA LYS 18 -0.994 11.353 8.232 147 HB2 LYS 18 1HB LYS 18 -2.236 13.648 6.754 148 HB3 LYS 18 2HB LYS 18 -2.890 12.023 6.518 149 HG2 LYS 18 1HG LYS 18 -2.576 13.349 9.238 150 HG3 LYS 18 2HG LYS 18 -4.080 13.311 8.296 151 HD2 LYS 18 1HD LYS 18 -4.018 10.809 8.333 152 HD3 LYS 18 2HD LYS 18 -2.559 10.877 9.330 153 HE2 LYS 18 1HE LYS 18 -3.828 12.132 11.063 154 HE3 LYS 18 2HE LYS 18 -5.308 11.880 10.102 155 HZ1 LYS 18 1HZ LYS 18 -5.016 10.140 11.782 156 HZ2 LYS 18 2HZ LYS 18 -3.535 9.736 11.162 157 HZ3 LYS 18 3HZ LYS 18 -4.890 9.478 10.272 158 H ASP 19 H ASP 19 0.416 12.851 5.387 159 HA ASP 19 HA ASP 19 -0.308 10.693 3.616 160 HB2 ASP 19 1HB ASP 19 1.920 12.754 3.403 161 HB3 ASP 19 2HB ASP 19 1.362 11.704 2.094 162 H LEU 20 H LEU 20 2.530 11.379 5.735 163 HA LEU 20 HA LEU 20 3.832 8.958 4.678 164 HB2 LEU 20 1HB LEU 20 4.661 10.795 6.930 165 HB3 LEU 20 2HB LEU 20 5.580 9.402 6.356 166 HG LEU 20 HG LEU 20 4.890 11.869 4.712 167 HD11 LEU 20 1HD1 LEU 20 6.599 12.272 6.415 168 HD12 LEU 20 2HD1 LEU 20 7.336 12.250 4.799 169 HD13 LEU 20 3HD1 LEU 20 7.511 10.843 5.870 170 HD21 LEU 20 1HD2 LEU 20 6.382 9.313 3.967 171 HD22 LEU 20 2HD2 LEU 20 6.528 10.822 3.045 172 HD23 LEU 20 3HD2 LEU 20 4.956 10.011 3.159 173 H GLU 21 H GLU 21 1.699 9.795 7.319 174 HA GLU 21 HA GLU 21 2.049 7.354 8.830 175 HB2 GLU 21 1HB GLU 21 0.664 9.244 9.659 176 HB3 GLU 21 2HB GLU 21 -0.420 9.059 8.285 177 HG2 GLU 21 1HG GLU 21 -0.974 6.750 9.126 178 HG3 GLU 21 2HG GLU 21 -0.075 7.152 10.602 179 H GLY 22 H GLY 22 0.259 8.394 5.930 180 HA2 GLY 22 1HA GLY 22 -0.970 5.871 5.395 181 HA3 GLY 22 2HA GLY 22 -0.710 7.184 4.235 182 H LEU 23 H LEU 23 2.200 7.253 4.420 183 HA LEU 23 HA LEU 23 2.791 5.155 2.559 184 HB2 LEU 23 1HB LEU 23 3.944 7.468 3.087 185 HB3 LEU 23 2HB LEU 23 4.972 6.494 4.135 186 HG LEU 23 HG LEU 23 4.528 5.919 1.179 187 HD11 LEU 23 1HD1 LEU 23 5.486 8.152 1.462 188 HD12 LEU 23 2HD1 LEU 23 6.670 7.027 0.775 189 HD13 LEU 23 3HD1 LEU 23 6.778 7.479 2.490 190 HD21 LEU 23 1HD2 LEU 23 5.423 3.977 2.305 191 HD22 LEU 23 2HD2 LEU 23 6.630 4.958 3.164 192 HD23 LEU 23 3HD2 LEU 23 6.743 4.733 1.403 193 H HIS 24 H HIS 24 3.373 5.515 6.101 194 HA HIS 24 HA HIS 24 4.742 2.979 6.339 195 HB2 HIS 24 1HB HIS 24 4.843 4.799 8.032 196 HB3 HIS 24 2HB HIS 24 3.151 4.487 8.439 197 HD1 HIS 24 HD1 HIS 24 6.069 1.955 7.973 198 HD2 HIS 24 HD2 HIS 24 3.254 3.227 10.806 199 HE1 HIS 24 HE1 HIS 24 6.322 0.478 9.996 200 H ARG 25 H ARG 25 1.302 3.986 6.488 201 HA ARG 25 HA ARG 25 0.240 1.403 7.160 202 HB2 ARG 25 1HB ARG 25 -1.091 3.507 7.157 203 HB3 ARG 25 2HB ARG 25 -0.934 3.579 5.413 204 HG2 ARG 25 1HG ARG 25 -2.094 1.209 5.462 205 HG3 ARG 25 2HG ARG 25 -2.621 1.721 7.071 206 HD2 ARG 25 1HD ARG 25 -4.312 2.288 5.404 207 HD3 ARG 25 2HD ARG 25 -3.587 3.773 6.046 208 HE ARG 25 HE ARG 25 -2.737 2.550 3.428 209 HH11 ARG 25 1HH1 ARG 25 -3.713 5.428 5.258 210 HH12 ARG 25 2HH1 ARG 25 -3.404 6.484 3.905 211 HH21 ARG 25 1HH2 ARG 25 -2.362 3.934 1.806 212 HH22 ARG 25 2HH2 ARG 25 -2.633 5.661 1.988 213 H ALA 26 H ALA 26 1.462 2.770 4.087 214 HA ALA 26 HA ALA 26 0.462 0.558 2.505 215 HB1 ALA 26 1HB ALA 26 1.835 1.443 0.728 216 HB2 ALA 26 2HB ALA 26 0.999 2.779 1.550 217 HB3 ALA 26 3HB ALA 26 2.724 2.476 1.868 218 H GLU 27 H GLU 27 3.442 1.166 4.360 219 HA GLU 27 HA GLU 27 4.905 -1.133 3.374 220 HB2 GLU 27 1HB GLU 27 5.762 0.871 4.660 221 HB3 GLU 27 2HB GLU 27 5.000 0.207 6.099 222 HG2 GLU 27 1HG GLU 27 6.478 -1.696 6.070 223 HG3 GLU 27 2HG GLU 27 7.164 -1.172 4.516 224 H GLN 28 H GLN 28 2.773 -0.440 6.102 225 HA GLN 28 HA GLN 28 2.579 -3.047 7.195 226 HB2 GLN 28 1HB GLN 28 1.708 -0.859 8.195 227 HB3 GLN 28 2HB GLN 28 0.354 -0.991 7.073 228 HG2 GLN 28 1HG GLN 28 -0.067 -3.302 8.086 229 HG3 GLN 28 2HG GLN 28 1.048 -2.819 9.368 230 HE21 GLN 28 1HE2 GLN 28 -2.764 -1.784 9.571 231 HE22 GLN 28 2HE2 GLN 28 -2.104 -3.055 8.551 232 H SER 29 H SER 29 1.001 -1.499 4.340 233 HA SER 29 HA SER 29 -0.822 -3.704 4.054 234 HB2 SER 29 1HB SER 29 -1.555 -2.791 2.019 235 HB3 SER 29 2HB SER 29 -1.273 -1.435 3.122 236 HG SER 29 HG SER 29 -0.443 -0.952 1.103 237 H LEU 30 H LEU 30 2.516 -3.162 2.819 238 HA LEU 30 HA LEU 30 2.583 -5.467 0.993 239 HB2 LEU 30 1HB LEU 30 4.668 -4.323 2.936 240 HB3 LEU 30 2HB LEU 30 4.920 -5.800 2.081 241 HG LEU 30 HG LEU 30 4.853 -4.416 -0.058 242 HD11 LEU 30 1HD1 LEU 30 5.496 -2.138 0.064 243 HD12 LEU 30 2HD1 LEU 30 5.693 -2.206 1.829 244 HD13 LEU 30 3HD1 LEU 30 4.079 -2.280 1.113 245 HD21 LEU 30 1HD2 LEU 30 7.046 -4.186 2.068 246 HD22 LEU 30 2HD2 LEU 30 7.292 -3.950 0.322 247 HD23 LEU 30 3HD2 LEU 30 6.812 -5.543 0.942 248 H HIS 31 H HIS 31 3.316 -4.975 4.511 249 HA HIS 31 HA HIS 31 3.684 -7.802 4.823 250 HB2 HIS 31 1HB HIS 31 3.448 -5.623 6.865 251 HB3 HIS 31 2HB HIS 31 3.870 -7.306 7.225 252 HD1 HIS 31 HD1 HIS 31 5.639 -7.505 4.411 253 HD2 HIS 31 HD2 HIS 31 6.047 -4.789 7.569 254 HE1 HIS 31 HE1 HIS 31 8.011 -6.636 4.348 255 H ASP 32 H ASP 32 0.822 -5.828 5.343 256 HA ASP 32 HA ASP 32 -0.716 -7.909 6.641 257 HB2 ASP 32 1HB ASP 32 -1.365 -5.375 5.113 258 HB3 ASP 32 2HB ASP 32 -2.640 -6.540 5.454 259 H LEU 33 H LEU 33 0.009 -6.964 3.258 260 HA LEU 33 HA LEU 33 -1.918 -8.721 2.097 261 HB2 LEU 33 1HB LEU 33 0.413 -7.175 1.095 262 HB3 LEU 33 2HB LEU 33 0.221 -8.710 0.306 263 HG LEU 33 HG LEU 33 -0.887 -6.977 -0.964 264 HD11 LEU 33 1HD1 LEU 33 -1.843 -9.338 -0.849 265 HD12 LEU 33 2HD1 LEU 33 -2.973 -8.078 -1.382 266 HD13 LEU 33 3HD1 LEU 33 -3.065 -8.709 0.277 267 HD21 LEU 33 1HD2 LEU 33 -2.912 -5.850 -0.189 268 HD22 LEU 33 2HD2 LEU 33 -1.493 -5.383 0.747 269 HD23 LEU 33 3HD2 LEU 33 -2.671 -6.518 1.441 270 H GLN 34 H GLN 34 1.623 -9.230 2.834 271 HA GLN 34 HA GLN 34 1.324 -12.000 2.027 272 HB2 GLN 34 1HB GLN 34 3.385 -12.355 3.614 273 HB3 GLN 34 2HB GLN 34 3.545 -11.676 2.016 274 HG2 GLN 34 1HG GLN 34 3.135 -9.727 4.211 275 HG3 GLN 34 2HG GLN 34 4.619 -10.654 4.295 276 HE21 GLN 34 1HE2 GLN 34 4.547 -8.827 0.673 277 HE22 GLN 34 2HE2 GLN 34 3.431 -10.117 1.071 278 H GLU 35 H GLU 35 0.890 -10.422 5.232 279 HA GLU 35 HA GLU 35 0.774 -12.894 6.670 280 HB2 GLU 35 1HB GLU 35 0.980 -10.600 7.677 281 HB3 GLU 35 2HB GLU 35 -0.732 -10.337 7.328 282 HG2 GLU 35 1HG GLU 35 -0.337 -12.849 8.755 283 HG3 GLU 35 2HG GLU 35 0.423 -11.510 9.626 284 H ARG 36 H ARG 36 -1.859 -10.924 5.171 285 HA ARG 36 HA ARG 36 -3.889 -12.790 6.030 286 HB2 ARG 36 1HB ARG 36 -3.823 -10.284 4.659 287 HB3 ARG 36 2HB ARG 36 -4.709 -11.418 3.642 288 HG2 ARG 36 1HG ARG 36 -6.321 -10.367 5.058 289 HG3 ARG 36 2HG ARG 36 -6.089 -12.011 5.682 290 HD2 ARG 36 1HD ARG 36 -5.987 -10.818 7.649 291 HD3 ARG 36 2HD ARG 36 -4.279 -10.849 7.208 292 HE ARG 36 HE ARG 36 -5.948 -8.533 6.408 293 HH11 ARG 36 1HH1 ARG 36 -3.251 -9.753 8.378 294 HH12 ARG 36 2HH1 ARG 36 -2.717 -8.122 8.759 295 HH21 ARG 36 1HH2 ARG 36 -5.232 -6.535 7.028 296 HH22 ARG 36 2HH2 ARG 36 -3.813 -6.370 8.036 297 H LEU 37 H LEU 37 -1.876 -12.512 3.108 298 HA LEU 37 HA LEU 37 -3.210 -14.548 1.597 299 HB2 LEU 37 1HB LEU 37 -1.564 -13.124 0.557 300 HB3 LEU 37 2HB LEU 37 -0.356 -13.571 1.747 301 HG LEU 37 HG LEU 37 -0.280 -15.870 0.814 302 HD11 LEU 37 1HD1 LEU 37 -2.496 -15.968 -0.261 303 HD12 LEU 37 2HD1 LEU 37 -1.208 -16.267 -1.437 304 HD13 LEU 37 3HD1 LEU 37 -2.011 -14.686 -1.392 305 HD21 LEU 37 1HD2 LEU 37 1.230 -13.920 0.230 306 HD22 LEU 37 2HD2 LEU 37 0.268 -13.724 -1.246 307 HD23 LEU 37 3HD2 LEU 37 1.156 -15.230 -0.949 308 H HIS 38 H HIS 38 -0.433 -14.703 3.908 309 HA HIS 38 HA HIS 38 -0.065 -17.515 3.624 310 HB2 HIS 38 1HB HIS 38 1.434 -15.741 4.780 311 HB3 HIS 38 2HB HIS 38 0.435 -16.019 6.209 312 HD1 HIS 38 HD1 HIS 38 0.269 -19.273 5.405 313 HD2 HIS 38 HD2 HIS 38 3.627 -16.887 6.081 314 HE1 HIS 38 HE1 HIS 38 2.166 -20.827 6.018 315 H LYS 39 H LYS 39 -2.047 -15.600 5.924 316 HA LYS 39 HA LYS 39 -3.035 -17.808 7.439 317 HB2 LYS 39 1HB LYS 39 -3.227 -15.378 8.010 318 HB3 LYS 39 2HB LYS 39 -4.413 -15.190 6.718 319 HG2 LYS 39 1HG LYS 39 -5.914 -16.767 7.879 320 HG3 LYS 39 2HG LYS 39 -4.730 -16.905 9.195 321 HD2 LYS 39 1HD LYS 39 -4.873 -14.438 9.535 322 HD3 LYS 39 2HD LYS 39 -6.122 -14.355 8.279 323 HE2 LYS 39 1HE LYS 39 -6.338 -15.989 10.837 324 HE3 LYS 39 2HE LYS 39 -7.032 -14.372 10.607 325 HZ1 LYS 39 1HZ LYS 39 -7.760 -16.829 9.109 326 HZ2 LYS 39 2HZ LYS 39 -8.320 -15.329 8.738 327 HZ3 LYS 39 3HZ LYS 39 -8.701 -16.014 10.189 328 H ALA 40 H ALA 40 -4.383 -16.158 4.556 329 HA ALA 40 HA ALA 40 -6.688 -17.823 4.344 330 HB1 ALA 40 1HB ALA 40 -5.219 -16.262 2.185 331 HB2 ALA 40 2HB ALA 40 -6.882 -16.891 2.088 332 HB3 ALA 40 3HB ALA 40 -6.484 -15.616 3.260 333 H GLN 41 H GLN 41 -3.305 -18.285 3.207 334 HA GLN 41 HA GLN 41 -4.097 -20.540 1.549 335 HB2 GLN 41 1HB GLN 41 -1.876 -19.465 1.335 336 HB3 GLN 41 2HB GLN 41 -1.464 -19.968 2.975 337 HG2 GLN 41 1HG GLN 41 -1.619 -22.335 2.304 338 HG3 GLN 41 2HG GLN 41 -2.046 -21.840 0.658 339 HE21 GLN 41 1HE2 GLN 41 1.817 -21.588 1.979 340 HE22 GLN 41 2HE2 GLN 41 0.507 -21.837 3.120 341 H GLU 42 H GLU 42 -2.617 -20.339 4.865 342 HA GLU 42 HA GLU 42 -2.716 -23.100 5.331 343 HB2 GLU 42 1HB GLU 42 -2.949 -20.889 7.400 344 HB3 GLU 42 2HB GLU 42 -2.564 -22.581 7.733 345 HG2 GLU 42 1HG GLU 42 -0.891 -20.580 6.216 346 HG3 GLU 42 2HG GLU 42 -0.515 -21.337 7.760 347 H GLU 43 H GLU 43 -5.322 -20.727 5.909 348 HA GLU 43 HA GLU 43 -6.918 -22.996 6.954 349 HB2 GLU 43 1HB GLU 43 -8.414 -21.449 7.857 350 HB3 GLU 43 2HB GLU 43 -6.806 -20.772 8.120 351 HG2 GLU 43 1HG GLU 43 -7.286 -19.448 5.920 352 HG3 GLU 43 2HG GLU 43 -8.962 -19.885 6.231 353 H HIS 44 H HIS 44 -7.065 -20.650 4.188 354 HA HIS 44 HA HIS 44 -9.506 -22.075 3.306 355 HB2 HIS 44 1HB HIS 44 -8.418 -19.388 2.493 356 HB3 HIS 44 2HB HIS 44 -9.785 -20.174 1.713 357 HD1 HIS 44 HD1 HIS 44 -9.180 -17.729 4.236 358 HD2 HIS 44 HD2 HIS 44 -11.805 -20.940 3.843 359 HE1 HIS 44 HE1 HIS 44 -11.089 -17.313 5.833 360 H ARG 45 H ARG 45 -6.234 -21.861 2.454 361 HA ARG 45 HA ARG 45 -4.981 -22.823 0.834 362 HB2 ARG 45 1HB ARG 45 -7.439 -24.257 -0.176 363 HB3 ARG 45 2HB ARG 45 -5.749 -24.688 -0.444 364 HG2 ARG 45 1HG ARG 45 -5.475 -25.138 1.961 365 HG3 ARG 45 2HG ARG 45 -7.183 -24.716 2.226 366 HD2 ARG 45 1HD ARG 45 -7.819 -26.468 0.589 367 HD3 ARG 45 2HD ARG 45 -6.114 -26.960 0.507 368 HE ARG 45 HE ARG 45 -6.896 -26.898 3.225 369 HH11 ARG 45 1HH1 ARG 45 -7.614 -28.796 0.326 370 HH12 ARG 45 2HH1 ARG 45 -8.003 -30.223 1.246 371 HH21 ARG 45 1HH2 ARG 45 -7.417 -28.745 4.328 372 HH22 ARG 45 2HH2 ARG 45 -7.902 -30.190 3.481 373 H THR 46 H THR 46 -7.603 -20.927 -0.060 374 HA THR 46 HA THR 46 -7.967 -19.449 -1.714 375 HB THR 46 HB THR 46 -6.196 -18.444 -2.877 376 HG1 THR 46 HG1 THR 46 -4.965 -20.993 -2.723 377 HG21 THR 46 1HG2 THR 46 -4.584 -19.727 -0.660 378 HG22 THR 46 2HG2 THR 46 -5.888 -18.577 -0.288 379 HG23 THR 46 3HG2 THR 46 -4.508 -18.067 -1.281 380 H VAL 47 H VAL 47 -8.594 -19.148 -3.957 381 HA VAL 47 HA VAL 47 -9.213 -21.718 -5.211 382 HB VAL 47 HB VAL 47 -10.262 -20.421 -7.011 383 HG11 VAL 47 1HG1 VAL 47 -11.984 -19.276 -5.677 384 HG12 VAL 47 2HG1 VAL 47 -11.535 -20.825 -4.942 385 HG13 VAL 47 3HG1 VAL 47 -10.918 -19.307 -4.257 386 HG21 VAL 47 1HG2 VAL 47 -9.118 -17.967 -5.606 387 HG22 VAL 47 2HG2 VAL 47 -8.708 -18.554 -7.229 388 HG23 VAL 47 3HG2 VAL 47 -10.333 -17.929 -6.899 389 H GLU 48 H GLU 48 -6.589 -19.610 -5.115 390 HA GLU 48 HA GLU 48 -5.459 -20.337 -7.713 391 HB2 GLU 48 1HB GLU 48 -4.342 -18.883 -5.277 392 HB3 GLU 48 2HB GLU 48 -3.457 -19.135 -6.778 393 HG2 GLU 48 1HG GLU 48 -4.222 -16.953 -6.970 394 HG3 GLU 48 2HG GLU 48 -5.347 -17.885 -7.963 395 H VAL 49 H VAL 49 -6.137 -22.316 -5.318 396 HA VAL 49 HA VAL 49 -4.184 -23.496 -3.985 397 HB VAL 49 HB VAL 49 -5.104 -25.778 -5.297 398 HG11 VAL 49 1HG1 VAL 49 -6.652 -25.993 -3.420 399 HG12 VAL 49 2HG1 VAL 49 -5.074 -25.379 -2.879 400 HG13 VAL 49 3HG1 VAL 49 -6.450 -24.268 -3.036 401 HG21 VAL 49 1HG2 VAL 49 -6.557 -24.345 -6.779 402 HG22 VAL 49 2HG2 VAL 49 -7.468 -25.488 -5.772 403 HG23 VAL 49 3HG2 VAL 49 -7.410 -23.775 -5.325 404 H GLU 50 H GLU 50 -4.281 -24.092 -7.537 405 HA GLU 50 HA GLU 50 -2.188 -26.036 -7.512 406 HB2 GLU 50 1HB GLU 50 -4.002 -25.288 -9.290 407 HB3 GLU 50 2HB GLU 50 -2.696 -24.275 -9.896 408 HG2 GLU 50 1HG GLU 50 -2.208 -27.222 -9.413 409 HG3 GLU 50 2HG GLU 50 -3.127 -26.718 -10.837 410 H LYS 51 H LYS 51 -2.114 -22.543 -7.454 411 HA LYS 51 HA LYS 51 0.771 -22.549 -7.038 412 HB2 LYS 51 1HB LYS 51 -0.168 -22.240 -9.684 413 HB3 LYS 51 2HB LYS 51 0.295 -20.623 -9.181 414 HG2 LYS 51 1HG LYS 51 2.522 -21.218 -8.782 415 HG3 LYS 51 2HG LYS 51 2.147 -22.936 -8.640 416 HD2 LYS 51 1HD LYS 51 2.039 -21.331 -11.227 417 HD3 LYS 51 2HD LYS 51 3.368 -22.390 -10.728 418 HE2 LYS 51 1HE LYS 51 0.516 -23.194 -11.416 419 HE3 LYS 51 2HE LYS 51 1.988 -23.610 -12.296 420 HZ1 LYS 51 1HZ LYS 51 1.307 -24.547 -9.561 421 HZ2 LYS 51 2HZ LYS 51 2.643 -24.997 -10.427 422 HZ3 LYS 51 3HZ LYS 51 1.128 -25.434 -10.931 423 H VAL 52 H VAL 52 -0.638 -22.000 -5.121 424 HA VAL 52 HA VAL 52 -2.293 -19.870 -4.773 425 HB VAL 52 HB VAL 52 -0.114 -20.760 -2.829 426 HG11 VAL 52 1HG1 VAL 52 -1.793 -19.954 -1.095 427 HG12 VAL 52 2HG1 VAL 52 -1.011 -18.672 -2.031 428 HG13 VAL 52 3HG1 VAL 52 -2.671 -19.163 -2.423 429 HG21 VAL 52 1HG2 VAL 52 -1.933 -22.183 -1.869 430 HG22 VAL 52 2HG2 VAL 52 -2.975 -21.722 -3.232 431 HG23 VAL 52 3HG2 VAL 52 -1.492 -22.657 -3.518 432 H HIS 53 H HIS 53 1.306 -19.545 -4.400 433 HA HIS 53 HA HIS 53 0.916 -16.747 -5.139 434 HB2 HIS 53 1HB HIS 53 1.915 -15.798 -3.138 435 HB3 HIS 53 2HB HIS 53 0.457 -16.712 -2.766 436 HD1 HIS 53 HD1 HIS 53 3.713 -16.165 -1.453 437 HD2 HIS 53 HD2 HIS 53 1.297 -19.537 -1.907 438 HE1 HIS 53 HE1 HIS 53 4.605 -17.930 0.122 439 H LEU 54 H LEU 54 3.617 -18.412 -3.510 440 HA LEU 54 HA LEU 54 5.841 -18.434 -3.944 441 HB2 LEU 54 1HB LEU 54 5.065 -18.354 -6.875 442 HB3 LEU 54 2HB LEU 54 6.586 -18.926 -6.203 443 HG LEU 54 HG LEU 54 3.882 -20.251 -5.797 444 HD11 LEU 54 1HD1 LEU 54 4.761 -21.968 -7.313 445 HD12 LEU 54 2HD1 LEU 54 6.263 -21.036 -7.524 446 HD13 LEU 54 3HD1 LEU 54 4.713 -20.384 -8.112 447 HD21 LEU 54 1HD2 LEU 54 6.688 -21.140 -4.989 448 HD22 LEU 54 2HD2 LEU 54 5.225 -22.150 -4.908 449 HD23 LEU 54 3HD2 LEU 54 5.355 -20.706 -3.890 450 H GLU 55 H GLU 55 7.523 -17.332 -5.753 451 HA GLU 55 HA GLU 55 7.894 -14.747 -4.734 452 HB2 GLU 55 1HB GLU 55 9.609 -16.213 -5.898 453 HB3 GLU 55 2HB GLU 55 8.884 -15.741 -7.436 454 HG2 GLU 55 1HG GLU 55 9.486 -13.377 -5.843 455 HG3 GLU 55 2HG GLU 55 10.916 -14.406 -5.972 456 H LYS 56 H LYS 56 6.279 -15.782 -7.765 457 HA LYS 56 HA LYS 56 6.025 -13.186 -8.844 458 HB2 LYS 56 1HB LYS 56 4.285 -15.648 -9.160 459 HB3 LYS 56 2HB LYS 56 3.973 -14.125 -10.006 460 HG2 LYS 56 1HG LYS 56 6.316 -14.238 -10.913 461 HG3 LYS 56 2HG LYS 56 6.414 -15.894 -10.274 462 HD2 LYS 56 1HD LYS 56 4.440 -16.522 -11.616 463 HD3 LYS 56 2HD LYS 56 4.303 -14.849 -12.200 464 HE2 LYS 56 1HE LYS 56 6.594 -15.046 -13.184 465 HE3 LYS 56 2HE LYS 56 6.608 -16.763 -12.717 466 HZ1 LYS 56 1HZ LYS 56 4.639 -17.078 -14.104 467 HZ2 LYS 56 2HZ LYS 56 5.877 -16.463 -15.007 468 HZ3 LYS 56 3HZ LYS 56 4.636 -15.485 -14.532 469 H LYS 57 H LYS 57 3.487 -14.944 -6.869 470 HA LYS 57 HA LYS 57 1.913 -12.513 -6.969 471 HB2 LYS 57 1HB LYS 57 1.093 -14.941 -6.608 472 HB3 LYS 57 2HB LYS 57 1.474 -14.642 -4.909 473 HG2 LYS 57 1HG LYS 57 -0.133 -12.537 -6.240 474 HG3 LYS 57 2HG LYS 57 -0.933 -14.107 -6.082 475 HD2 LYS 57 1HD LYS 57 -0.752 -14.081 -3.695 476 HD3 LYS 57 2HD LYS 57 0.376 -12.706 -3.724 477 HE2 LYS 57 1HE LYS 57 -1.362 -11.256 -4.651 478 HE3 LYS 57 2HE LYS 57 -2.500 -12.611 -4.697 479 HZ1 LYS 57 1HZ LYS 57 -2.622 -12.627 -2.372 480 HZ2 LYS 57 2HZ LYS 57 -2.695 -11.027 -2.785 481 HZ3 LYS 57 3HZ LYS 57 -1.292 -11.657 -2.172 482 H LEU 58 H LEU 58 4.294 -13.846 -4.626 483 HA LEU 58 HA LEU 58 3.644 -11.956 -2.552 484 HB2 LEU 58 1HB LEU 58 6.270 -13.248 -3.359 485 HB3 LEU 58 2HB LEU 58 6.128 -12.174 -1.970 486 HG LEU 58 HG LEU 58 4.526 -14.734 -2.255 487 HD11 LEU 58 1HD1 LEU 58 6.925 -15.250 -2.245 488 HD12 LEU 58 2HD1 LEU 58 6.177 -15.730 -0.707 489 HD13 LEU 58 3HD1 LEU 58 7.151 -14.244 -0.793 490 HD21 LEU 58 1HD2 LEU 58 5.112 -12.921 0.117 491 HD22 LEU 58 2HD2 LEU 58 4.288 -14.494 0.215 492 HD23 LEU 58 3HD2 LEU 58 3.542 -13.157 -0.677 493 H ARG 59 H ARG 59 5.822 -11.789 -5.379 494 HA ARG 59 HA ARG 59 6.766 -9.137 -4.876 495 HB2 ARG 59 1HB ARG 59 7.726 -10.909 -6.367 496 HB3 ARG 59 2HB ARG 59 6.434 -10.592 -7.521 497 HG2 ARG 59 1HG ARG 59 7.297 -8.382 -7.939 498 HG3 ARG 59 2HG ARG 59 8.499 -8.579 -6.627 499 HD2 ARG 59 1HD ARG 59 9.322 -10.635 -7.778 500 HD3 ARG 59 2HD ARG 59 8.245 -10.277 -9.134 501 HE ARG 59 HE ARG 59 9.762 -7.988 -8.838 502 HH11 ARG 59 1HH1 ARG 59 10.537 -11.414 -9.299 503 HH12 ARG 59 2HH1 ARG 59 12.011 -11.057 -10.160 504 HH21 ARG 59 1HH2 ARG 59 11.657 -7.611 -9.955 505 HH22 ARG 59 2HH2 ARG 59 12.634 -8.938 -10.521 506 H ASP 60 H ASP 60 3.929 -10.387 -6.667 507 HA ASP 60 HA ASP 60 3.293 -7.782 -7.741 508 HB2 ASP 60 1HB ASP 60 1.834 -10.408 -7.637 509 HB3 ASP 60 2HB ASP 60 1.073 -8.941 -8.269 510 H GLU 61 H GLU 61 2.286 -9.449 -4.753 511 HA GLU 61 HA GLU 61 0.189 -7.451 -4.265 512 HB2 GLU 61 1HB GLU 61 -0.118 -8.532 -2.179 513 HB3 GLU 61 2HB GLU 61 0.132 -9.780 -3.384 514 HG2 GLU 61 1HG GLU 61 2.486 -9.941 -2.629 515 HG3 GLU 61 2HG GLU 61 2.129 -8.802 -1.334 516 H ILE 62 H ILE 62 3.567 -8.054 -3.202 517 HA ILE 62 HA ILE 62 3.877 -5.644 -1.752 518 HB ILE 62 HB ILE 62 5.866 -7.329 -3.335 519 HG12 ILE 62 1HG1 ILE 62 5.496 -6.945 -0.332 520 HG13 ILE 62 2HG1 ILE 62 4.719 -8.237 -1.233 521 HG21 ILE 62 1HG2 ILE 62 6.271 -4.875 -1.623 522 HG22 ILE 62 2HG2 ILE 62 7.584 -6.015 -1.980 523 HG23 ILE 62 3HG2 ILE 62 6.794 -5.131 -3.298 524 HD11 ILE 62 1HD1 ILE 62 7.002 -9.084 -1.910 525 HD12 ILE 62 2HD1 ILE 62 7.716 -7.871 -0.816 526 HD13 ILE 62 3HD1 ILE 62 6.678 -9.154 -0.163 527 H ASN 63 H ASN 63 3.918 -6.310 -5.304 528 HA ASN 63 HA ASN 63 4.785 -3.645 -5.998 529 HB2 ASN 63 1HB ASN 63 3.260 -5.749 -7.545 530 HB3 ASN 63 2HB ASN 63 3.537 -4.142 -8.199 531 HD21 ASN 63 1HD2 ASN 63 6.245 -6.628 -9.148 532 HD22 ASN 63 2HD2 ASN 63 4.514 -6.823 -9.072 533 H LEU 64 H LEU 64 1.594 -5.056 -5.271 534 HA LEU 64 HA LEU 64 0.014 -2.782 -6.077 535 HB2 LEU 64 1HB LEU 64 -0.956 -4.973 -5.572 536 HB3 LEU 64 2HB LEU 64 -0.348 -4.916 -3.958 537 HG LEU 64 HG LEU 64 -2.673 -3.295 -4.953 538 HD11 LEU 64 1HD1 LEU 64 -2.974 -5.780 -4.800 539 HD12 LEU 64 2HD1 LEU 64 -3.940 -4.910 -3.602 540 HD13 LEU 64 3HD1 LEU 64 -2.443 -5.724 -3.109 541 HD21 LEU 64 1HD2 LEU 64 -1.475 -3.566 -2.156 542 HD22 LEU 64 2HD2 LEU 64 -3.120 -2.979 -2.475 543 HD23 LEU 64 3HD2 LEU 64 -1.732 -2.067 -3.077 544 H ALA 65 H ALA 65 1.465 -3.825 -2.957 545 HA ALA 65 HA ALA 65 0.669 -1.445 -1.566 546 HB1 ALA 65 1HB ALA 65 1.276 -3.566 -0.505 547 HB2 ALA 65 2HB ALA 65 2.966 -3.326 -1.010 548 HB3 ALA 65 3HB ALA 65 2.199 -2.195 0.132 549 H LYS 66 H LYS 66 3.571 -2.266 -3.433 550 HA LYS 66 HA LYS 66 5.117 0.054 -2.761 551 HB2 LYS 66 1HB LYS 66 6.102 -1.934 -3.798 552 HB3 LYS 66 2HB LYS 66 5.083 -1.728 -5.219 553 HG2 LYS 66 1HG LYS 66 7.317 -1.040 -5.745 554 HG3 LYS 66 2HG LYS 66 6.245 0.365 -5.773 555 HD2 LYS 66 1HD LYS 66 7.046 1.021 -3.520 556 HD3 LYS 66 2HD LYS 66 8.096 -0.411 -3.478 557 HE2 LYS 66 1HE LYS 66 9.384 1.567 -4.125 558 HE3 LYS 66 2HE LYS 66 9.293 0.421 -5.480 559 HZ1 LYS 66 1HZ LYS 66 7.567 2.811 -5.164 560 HZ2 LYS 66 2HZ LYS 66 7.523 1.763 -6.430 561 HZ3 LYS 66 3HZ LYS 66 8.852 2.702 -6.191 562 H GLN 67 H GLN 67 2.604 -0.573 -5.232 563 HA GLN 67 HA GLN 67 3.035 1.942 -6.572 564 HB2 GLN 67 1HB GLN 67 1.776 0.009 -7.560 565 HB3 GLN 67 2HB GLN 67 0.466 0.320 -6.414 566 HG2 GLN 67 1HG GLN 67 -0.055 1.302 -8.584 567 HG3 GLN 67 2HG GLN 67 0.161 2.573 -7.373 568 HE21 GLN 67 1HE2 GLN 67 2.741 4.169 -9.080 569 HE22 GLN 67 2HE2 GLN 67 1.643 4.150 -7.722 570 H GLU 68 H GLU 68 0.693 0.836 -4.015 571 HA GLU 68 HA GLU 68 -0.417 3.357 -3.424 572 HB2 GLU 68 1HB GLU 68 -0.898 1.033 -2.436 573 HB3 GLU 68 2HB GLU 68 0.466 1.319 -1.361 574 HG2 GLU 68 1HG GLU 68 -0.719 3.415 -0.602 575 HG3 GLU 68 2HG GLU 68 -2.129 2.838 -1.496 576 H ALA 69 H ALA 69 2.569 1.941 -1.924 577 HA ALA 69 HA ALA 69 3.187 4.175 -0.320 578 HB1 ALA 69 1HB ALA 69 4.196 1.939 -0.056 579 HB2 ALA 69 2HB ALA 69 5.091 2.153 -1.576 580 HB3 ALA 69 3HB ALA 69 5.448 3.193 -0.178 581 H GLN 70 H GLN 70 4.260 3.523 -3.684 582 HA GLN 70 HA GLN 70 6.123 5.700 -3.774 583 HB2 GLN 70 1HB GLN 70 5.979 3.818 -5.428 584 HB3 GLN 70 2HB GLN 70 4.508 4.549 -6.079 585 HG2 GLN 70 1HG GLN 70 5.768 6.578 -6.656 586 HG3 GLN 70 2HG GLN 70 7.239 5.870 -5.983 587 HE21 GLN 70 1HE2 GLN 70 6.403 5.271 -9.784 588 HE22 GLN 70 2HE2 GLN 70 5.773 6.574 -8.780 589 H ARG 71 H ARG 71 2.632 5.438 -4.522 590 HA ARG 71 HA ARG 71 2.470 8.155 -5.487 591 HB2 ARG 71 1HB ARG 71 0.429 6.183 -4.468 592 HB3 ARG 71 2HB ARG 71 0.030 7.829 -4.953 593 HG2 ARG 71 1HG ARG 71 0.989 7.399 -7.178 594 HG3 ARG 71 2HG ARG 71 1.194 5.697 -6.723 595 HD2 ARG 71 1HD ARG 71 -1.487 7.025 -6.358 596 HD3 ARG 71 2HD ARG 71 -0.980 6.538 -7.978 597 HE ARG 71 HE ARG 71 -1.115 4.285 -7.385 598 HH11 ARG 71 1HH1 ARG 71 -1.835 6.246 -4.487 599 HH12 ARG 71 2HH1 ARG 71 -2.573 4.888 -3.694 600 HH21 ARG 71 1HH2 ARG 71 -2.043 2.646 -6.253 601 HH22 ARG 71 2HH2 ARG 71 -2.677 2.913 -4.656 602 H LEU 72 H LEU 72 2.273 6.667 -2.234 603 HA LEU 72 HA LEU 72 1.339 9.104 -0.993 604 HB2 LEU 72 1HB LEU 72 2.634 6.595 0.039 605 HB3 LEU 72 2HB LEU 72 2.220 7.957 1.101 606 HG LEU 72 HG LEU 72 0.111 6.971 -0.795 607 HD11 LEU 72 1HD1 LEU 72 0.793 5.553 1.762 608 HD12 LEU 72 2HD1 LEU 72 1.026 4.914 0.136 609 HD13 LEU 72 3HD1 LEU 72 -0.604 5.246 0.726 610 HD21 LEU 72 1HD2 LEU 72 -1.373 7.594 1.036 611 HD22 LEU 72 2HD2 LEU 72 -0.274 8.922 0.663 612 HD23 LEU 72 3HD2 LEU 72 0.025 7.915 2.096 613 H LYS 73 H LYS 73 4.517 7.787 -1.879 614 HA LYS 73 HA LYS 73 6.035 9.884 -0.556 615 HB2 LYS 73 1HB LYS 73 7.118 7.835 -1.300 616 HB3 LYS 73 2HB LYS 73 6.648 8.126 -2.962 617 HG2 LYS 73 1HG LYS 73 8.345 10.213 -1.662 618 HG3 LYS 73 2HG LYS 73 9.094 8.653 -2.055 619 HD2 LYS 73 1HD LYS 73 8.241 8.879 -4.410 620 HD3 LYS 73 2HD LYS 73 7.661 10.503 -4.002 621 HE2 LYS 73 1HE LYS 73 9.985 11.142 -3.381 622 HE3 LYS 73 2HE LYS 73 10.539 9.546 -3.940 623 HZ1 LYS 73 1HZ LYS 73 10.742 11.234 -5.669 624 HZ2 LYS 73 2HZ LYS 73 9.140 11.592 -5.580 625 HZ3 LYS 73 3HZ LYS 73 9.623 10.109 -6.135 626 H GLU 74 H GLU 74 4.624 9.504 -3.836 627 HA GLU 74 HA GLU 74 5.572 12.032 -4.834 628 HB2 GLU 74 1HB GLU 74 3.244 10.245 -5.584 629 HB3 GLU 74 2HB GLU 74 3.657 11.706 -6.492 630 HG2 GLU 74 1HG GLU 74 5.750 10.818 -7.199 631 HG3 GLU 74 2HG GLU 74 5.716 9.534 -5.991 632 H LEU 75 H LEU 75 2.705 11.064 -2.984 633 HA LEU 75 HA LEU 75 1.290 13.543 -3.116 634 HB2 LEU 75 1HB LEU 75 0.452 11.314 -2.298 635 HB3 LEU 75 2HB LEU 75 1.426 11.502 -0.865 636 HG LEU 75 HG LEU 75 0.101 13.456 -0.210 637 HD11 LEU 75 1HD1 LEU 75 -0.656 14.374 -2.209 638 HD12 LEU 75 2HD1 LEU 75 -2.121 13.708 -1.455 639 HD13 LEU 75 3HD1 LEU 75 -1.327 12.825 -2.766 640 HD21 LEU 75 1HD2 LEU 75 -1.919 12.212 0.409 641 HD22 LEU 75 2HD2 LEU 75 -0.488 11.184 0.565 642 HD23 LEU 75 3HD2 LEU 75 -1.566 10.995 -0.829 643 H ARG 76 H ARG 76 3.663 12.202 -0.829 644 HA ARG 76 HA ARG 76 3.739 14.386 0.987 645 HB2 ARG 76 1HB ARG 76 4.740 12.369 1.679 646 HB3 ARG 76 2HB ARG 76 5.649 12.187 0.191 647 HG2 ARG 76 1HG ARG 76 7.203 12.686 1.928 648 HG3 ARG 76 2HG ARG 76 7.108 14.102 0.874 649 HD2 ARG 76 1HD ARG 76 5.487 15.129 2.468 650 HD3 ARG 76 2HD ARG 76 5.686 13.725 3.522 651 HE ARG 76 HE ARG 76 7.783 14.493 4.173 652 HH11 ARG 76 1HH1 ARG 76 6.622 16.532 1.509 653 HH12 ARG 76 2HH1 ARG 76 7.849 17.742 1.808 654 HH21 ARG 76 1HH2 ARG 76 9.295 16.080 4.470 655 HH22 ARG 76 2HH2 ARG 76 9.339 17.477 3.431 656 H GLU 77 H GLU 77 5.250 13.948 -2.197 657 HA GLU 77 HA GLU 77 6.988 16.268 -1.854 658 HB2 GLU 77 1HB GLU 77 6.194 14.610 -4.252 659 HB3 GLU 77 2HB GLU 77 7.295 15.990 -4.353 660 HG2 GLU 77 1HG GLU 77 8.826 14.932 -2.768 661 HG3 GLU 77 2HG GLU 77 7.728 13.563 -2.585 662 H GLY 78 H GLY 78 3.621 16.089 -2.304 663 HA2 GLY 78 1HA GLY 78 3.324 18.296 -4.152 664 HA3 GLY 78 2HA GLY 78 2.077 17.611 -3.105 665 H THR 79 H THR 79 2.198 20.367 -3.615 666 HA THR 79 HA THR 79 2.905 21.316 -0.889 667 HB THR 79 HB THR 79 4.812 21.969 -2.209 668 HG1 THR 79 HG1 THR 79 4.327 23.531 -0.779 669 HG21 THR 79 1HG2 THR 79 3.769 21.954 -4.473 670 HG22 THR 79 2HG2 THR 79 4.707 23.424 -4.143 671 HG23 THR 79 3HG2 THR 79 2.937 23.476 -4.067 672 H GLU 80 H GLU 80 1.326 22.019 0.112 673 HA GLU 80 HA GLU 80 -0.522 23.050 0.806 674 HB2 GLU 80 1HB GLU 80 0.908 24.962 0.195 675 HB3 GLU 80 2HB GLU 80 0.078 25.077 -1.354 676 HG2 GLU 80 1HG GLU 80 -1.583 26.289 -0.457 677 HG3 GLU 80 2HG GLU 80 -1.890 25.059 0.772 678 H ASN 81 H ASN 81 -0.932 22.966 -2.811 679 HA ASN 81 HA ASN 81 -3.770 22.289 -2.297 680 HB2 ASN 81 1HB ASN 81 -4.651 24.166 -3.546 681 HB3 ASN 81 2HB ASN 81 -3.650 24.778 -2.222 682 HD21 ASN 81 1HD2 ASN 81 -1.266 26.276 -4.307 683 HD22 ASN 81 2HD2 ASN 81 -1.657 25.746 -2.689 684 H GLU 82 H GLU 82 -5.006 21.995 -4.357 685 HA GLU 82 HA GLU 82 -3.423 20.245 -6.045 686 HB2 GLU 82 1HB GLU 82 -6.377 20.857 -5.871 687 HB3 GLU 82 2HB GLU 82 -5.673 19.669 -6.967 688 HG2 GLU 82 1HG GLU 82 -4.538 18.763 -4.765 689 HG3 GLU 82 2HG GLU 82 -5.908 19.579 -3.988 690 H ARG 83 H ARG 83 -3.572 23.475 -6.536 691 HA ARG 83 HA ARG 83 -4.543 23.471 -9.308 692 HB2 ARG 83 1HB ARG 83 -2.855 25.503 -7.800 693 HB3 ARG 83 2HB ARG 83 -3.545 25.756 -9.406 694 HG2 ARG 83 1HG ARG 83 -5.813 25.618 -8.528 695 HG3 ARG 83 2HG ARG 83 -5.206 25.174 -6.927 696 HD2 ARG 83 1HD ARG 83 -5.780 27.476 -6.821 697 HD3 ARG 83 2HD ARG 83 -4.009 27.382 -6.831 698 HE ARG 83 HE ARG 83 -4.898 27.688 -9.506 699 HH11 ARG 83 1HH1 ARG 83 -4.832 29.598 -6.541 700 HH12 ARG 83 2HH1 ARG 83 -4.794 31.112 -7.405 701 HH21 ARG 83 1HH2 ARG 83 -4.844 29.662 -10.544 702 HH22 ARG 83 2HH2 ARG 83 -4.798 31.142 -9.628 703 H SER 84 H SER 84 -2.787 24.536 -10.949 704 HA SER 84 HA SER 84 -1.073 23.932 -12.372 705 HB2 SER 84 1HB SER 84 0.483 23.737 -9.770 706 HB3 SER 84 2HB SER 84 1.140 24.063 -11.390 707 HG SER 84 HG SER 84 0.823 25.980 -10.167 708 H ARG 85 H ARG 85 -2.589 21.834 -12.194 709 HA ARG 85 HA ARG 85 -2.845 19.626 -12.350 710 HB2 ARG 85 1HB ARG 85 -1.344 18.348 -13.533 711 HB3 ARG 85 2HB ARG 85 -1.076 19.990 -14.095 712 HG2 ARG 85 1HG ARG 85 1.101 19.980 -13.453 713 HG3 ARG 85 2HG ARG 85 0.764 19.179 -11.911 714 HD2 ARG 85 1HD ARG 85 0.730 17.690 -14.551 715 HD3 ARG 85 2HD ARG 85 2.195 17.884 -13.566 716 HE ARG 85 HE ARG 85 0.072 16.888 -11.925 717 HH11 ARG 85 1HH1 ARG 85 2.258 15.767 -14.475 718 HH12 ARG 85 2HH1 ARG 85 2.213 14.118 -13.912 719 HH21 ARG 85 1HH2 ARG 85 0.086 14.757 -11.273 720 HH22 ARG 85 2HH2 ARG 85 1.007 13.561 -12.138 721 H GLN 86 H GLN 86 -1.719 20.676 -9.566 722 HA GLN 86 HA GLN 86 -0.689 18.128 -8.544 723 HB2 GLN 86 1HB GLN 86 -1.571 20.639 -7.109 724 HB3 GLN 86 2HB GLN 86 -0.891 19.217 -6.320 725 HG2 GLN 86 1HG GLN 86 1.166 19.496 -7.715 726 HG3 GLN 86 2HG GLN 86 0.496 21.023 -8.312 727 HE21 GLN 86 1HE2 GLN 86 1.119 22.813 -5.340 728 HE22 GLN 86 2HE2 GLN 86 0.232 22.768 -6.850 729 H LYS 87 H LYS 87 -3.606 18.669 -9.739 730 HA LYS 87 HA LYS 87 -5.454 17.786 -7.738 731 HB2 LYS 87 1HB LYS 87 -6.165 18.681 -9.934 732 HB3 LYS 87 2HB LYS 87 -5.411 17.306 -10.745 733 HG2 LYS 87 1HG LYS 87 -7.785 16.912 -10.710 734 HG3 LYS 87 2HG LYS 87 -7.043 15.773 -9.592 735 HD2 LYS 87 1HD LYS 87 -7.629 17.883 -7.909 736 HD3 LYS 87 2HD LYS 87 -8.941 17.987 -9.084 737 HE2 LYS 87 1HE LYS 87 -9.826 16.552 -7.456 738 HE3 LYS 87 2HE LYS 87 -9.218 15.412 -8.673 739 HZ1 LYS 87 1HZ LYS 87 -8.572 14.755 -6.439 740 HZ2 LYS 87 2HZ LYS 87 -7.814 16.205 -6.171 741 HZ3 LYS 87 3HZ LYS 87 -7.218 15.155 -7.296 742 H TYR 88 H TYR 88 -2.914 16.257 -9.463 743 HA TYR 88 HA TYR 88 -3.612 13.533 -9.293 744 HB2 TYR 88 1HB TYR 88 -1.704 14.458 -10.538 745 HB3 TYR 88 2HB TYR 88 -0.915 14.908 -9.022 746 HD1 TYR 88 HD1 TYR 88 -2.217 11.898 -10.894 747 HD2 TYR 88 HD2 TYR 88 0.550 13.384 -7.942 748 HE1 TYR 88 HE1 TYR 88 -1.107 9.663 -10.790 749 HE2 TYR 88 HE2 TYR 88 1.648 11.148 -7.857 750 HH TYR 88 HH TYR 88 1.750 9.044 -8.718 751 H ALA 89 H ALA 89 -2.791 15.801 -6.716 752 HA ALA 89 HA ALA 89 -1.605 13.911 -4.945 753 HB1 ALA 89 1HB ALA 89 -2.228 15.677 -3.208 754 HB2 ALA 89 2HB ALA 89 -1.302 16.291 -4.595 755 HB3 ALA 89 3HB ALA 89 -3.059 16.563 -4.498 756 H GLU 90 H GLU 90 -5.011 15.285 -4.739 757 HA GLU 90 HA GLU 90 -5.553 13.175 -2.773 758 HB2 GLU 90 1HB GLU 90 -7.452 15.158 -4.048 759 HB3 GLU 90 2HB GLU 90 -7.800 14.113 -2.664 760 HG2 GLU 90 1HG GLU 90 -5.724 16.363 -2.772 761 HG3 GLU 90 2HG GLU 90 -7.250 16.386 -1.884 762 H GLU 91 H GLU 91 -5.635 13.511 -6.178 763 HA GLU 91 HA GLU 91 -7.485 11.400 -6.824 764 HB2 GLU 91 1HB GLU 91 -5.178 12.738 -8.123 765 HB3 GLU 91 2HB GLU 91 -5.453 11.087 -8.641 766 HG2 GLU 91 1HG GLU 91 -7.541 13.278 -8.687 767 HG3 GLU 91 2HG GLU 91 -6.536 12.811 -10.068 768 H GLU 92 H GLU 92 -4.088 11.501 -5.596 769 HA GLU 92 HA GLU 92 -3.683 8.710 -6.112 770 HB2 GLU 92 1HB GLU 92 -1.646 8.969 -5.263 771 HB3 GLU 92 2HB GLU 92 -2.009 10.671 -5.417 772 HG2 GLU 92 1HG GLU 92 -1.029 10.443 -3.314 773 HG3 GLU 92 2HG GLU 92 -2.743 10.618 -2.971 774 H LEU 93 H LEU 93 -5.277 10.483 -3.507 775 HA LEU 93 HA LEU 93 -5.390 8.251 -1.696 776 HB2 LEU 93 1HB LEU 93 -5.820 10.652 -1.098 777 HB3 LEU 93 2HB LEU 93 -7.338 10.559 -1.982 778 HG LEU 93 HG LEU 93 -8.169 8.851 -0.406 779 HD11 LEU 93 1HD1 LEU 93 -6.103 7.805 0.345 780 HD12 LEU 93 2HD1 LEU 93 -6.920 8.516 1.749 781 HD13 LEU 93 3HD1 LEU 93 -5.520 9.342 1.023 782 HD21 LEU 93 1HD2 LEU 93 -7.114 11.416 0.860 783 HD22 LEU 93 2HD2 LEU 93 -8.431 10.409 1.507 784 HD23 LEU 93 3HD2 LEU 93 -8.628 11.237 -0.053 785 H GLU 94 H GLU 94 -7.416 9.397 -4.423 786 HA GLU 94 HA GLU 94 -9.453 7.377 -4.083 787 HB2 GLU 94 1HB GLU 94 -8.499 8.620 -6.682 788 HB3 GLU 94 2HB GLU 94 -10.004 7.746 -6.440 789 HG2 GLU 94 1HG GLU 94 -9.279 10.387 -5.106 790 HG3 GLU 94 2HG GLU 94 -10.285 10.219 -6.546 791 H GLN 95 H GLN 95 -6.291 7.458 -5.750 792 HA GLN 95 HA GLN 95 -6.580 4.779 -6.808 793 HB2 GLN 95 1HB GLN 95 -4.004 6.292 -6.305 794 HB3 GLN 95 2HB GLN 95 -4.231 4.888 -7.343 795 HG2 GLN 95 1HG GLN 95 -5.136 7.726 -7.812 796 HG3 GLN 95 2HG GLN 95 -4.075 6.748 -8.798 797 HE21 GLN 95 1HE2 GLN 95 -7.853 7.016 -9.830 798 HE22 GLN 95 2HE2 GLN 95 -6.941 8.189 -8.912 799 H VAL 96 H VAL 96 -5.596 6.021 -3.642 800 HA VAL 96 HA VAL 96 -4.347 3.542 -2.726 801 HB VAL 96 HB VAL 96 -5.669 5.861 -1.222 802 HG11 VAL 96 1HG1 VAL 96 -6.075 3.853 0.120 803 HG12 VAL 96 2HG1 VAL 96 -4.364 3.386 -0.016 804 HG13 VAL 96 3HG1 VAL 96 -4.833 4.850 0.880 805 HG21 VAL 96 1HG2 VAL 96 -3.431 6.371 -0.465 806 HG22 VAL 96 2HG2 VAL 96 -2.788 4.927 -1.269 807 HG23 VAL 96 3HG2 VAL 96 -3.439 6.270 -2.221 808 H ARG 97 H ARG 97 -7.637 4.961 -2.761 809 HA ARG 97 HA ARG 97 -8.853 2.783 -1.345 810 HB2 ARG 97 1HB ARG 97 -9.993 4.679 -3.420 811 HB3 ARG 97 2HB ARG 97 -10.965 3.530 -2.499 812 HG2 ARG 97 1HG ARG 97 -10.579 4.638 -0.461 813 HG3 ARG 97 2HG ARG 97 -9.163 5.494 -1.085 814 HD2 ARG 97 1HD ARG 97 -10.640 6.789 -2.601 815 HD3 ARG 97 2HD ARG 97 -12.048 6.020 -1.839 816 HE ARG 97 HE ARG 97 -10.551 7.029 0.267 817 HH11 ARG 97 1HH1 ARG 97 -12.001 8.502 -2.604 818 HH12 ARG 97 2HH1 ARG 97 -12.232 10.030 -1.800 819 HH21 ARG 97 1HH2 ARG 97 -10.879 9.015 1.209 820 HH22 ARG 97 2HH2 ARG 97 -11.604 10.314 0.303 821 H GLU 98 H GLU 98 -8.059 3.248 -4.817 822 HA GLU 98 HA GLU 98 -9.170 0.664 -5.536 823 HB2 GLU 98 1HB GLU 98 -7.259 2.544 -6.917 824 HB3 GLU 98 2HB GLU 98 -7.699 0.974 -7.598 825 HG2 GLU 98 1HG GLU 98 -9.637 3.221 -6.920 826 HG3 GLU 98 2HG GLU 98 -9.086 2.773 -8.542 827 H ALA 99 H ALA 99 -5.935 1.662 -4.377 828 HA ALA 99 HA ALA 99 -4.509 -0.777 -4.936 829 HB1 ALA 99 1HB ALA 99 -3.026 -0.113 -3.126 830 HB2 ALA 99 2HB ALA 99 -3.442 1.305 -4.108 831 HB3 ALA 99 3HB ALA 99 -4.207 1.063 -2.525 832 H LEU 100 H LEU 100 -6.404 0.369 -2.110 833 HA LEU 100 HA LEU 100 -6.259 -2.091 -0.645 834 HB2 LEU 100 1HB LEU 100 -8.272 0.178 -0.536 835 HB3 LEU 100 2HB LEU 100 -8.174 -1.128 0.642 836 HG LEU 100 HG LEU 100 -5.927 0.849 0.102 837 HD11 LEU 100 1HD1 LEU 100 -6.611 1.912 2.210 838 HD12 LEU 100 2HD1 LEU 100 -7.990 0.793 2.338 839 HD13 LEU 100 3HD1 LEU 100 -7.916 1.974 1.008 840 HD21 LEU 100 1HD2 LEU 100 -5.037 0.031 2.268 841 HD22 LEU 100 2HD2 LEU 100 -5.101 -1.250 1.048 842 HD23 LEU 100 3HD2 LEU 100 -6.334 -1.188 2.329 843 H ARG 101 H ARG 101 -8.525 -0.894 -3.112 844 HA ARG 101 HA ARG 101 -10.485 -2.974 -2.738 845 HB2 ARG 101 1HB ARG 101 -10.668 -0.759 -3.994 846 HB3 ARG 101 2HB ARG 101 -9.828 -1.550 -5.329 847 HG2 ARG 101 1HG ARG 101 -11.646 -3.190 -5.480 848 HG3 ARG 101 2HG ARG 101 -12.456 -2.396 -4.104 849 HD2 ARG 101 1HD ARG 101 -12.321 -0.246 -5.420 850 HD3 ARG 101 2HD ARG 101 -11.809 -1.214 -6.814 851 HE ARG 101 HE ARG 101 -14.191 -2.332 -5.767 852 HH11 ARG 101 1HH1 ARG 101 -13.139 0.629 -7.407 853 HH12 ARG 101 2HH1 ARG 101 -14.708 0.876 -8.143 854 HH21 ARG 101 1HH2 ARG 101 -16.158 -1.935 -6.724 855 HH22 ARG 101 2HH2 ARG 101 -16.388 -0.548 -7.754 856 H LYS 102 H LYS 102 -7.495 -2.728 -4.680 857 HA LYS 102 HA LYS 102 -7.908 -5.228 -6.078 858 HB2 LYS 102 1HB LYS 102 -6.259 -3.490 -6.774 859 HB3 LYS 102 2HB LYS 102 -5.304 -3.837 -5.332 860 HG2 LYS 102 1HG LYS 102 -4.869 -6.116 -6.122 861 HG3 LYS 102 2HG LYS 102 -5.898 -5.846 -7.541 862 HD2 LYS 102 1HD LYS 102 -4.401 -4.077 -8.334 863 HD3 LYS 102 2HD LYS 102 -3.389 -4.238 -6.894 864 HE2 LYS 102 1HE LYS 102 -3.856 -6.536 -8.830 865 HE3 LYS 102 2HE LYS 102 -2.542 -5.365 -9.035 866 HZ1 LYS 102 1HZ LYS 102 -1.712 -6.037 -6.835 867 HZ2 LYS 102 2HZ LYS 102 -1.752 -7.308 -7.880 868 HZ3 LYS 102 3HZ LYS 102 -2.902 -7.177 -6.709 869 H ALA 103 H ALA 103 -6.386 -4.289 -2.974 870 HA ALA 103 HA ALA 103 -5.480 -6.926 -2.301 871 HB1 ALA 103 1HB ALA 103 -6.333 -4.680 -0.420 872 HB2 ALA 103 2HB ALA 103 -5.284 -6.058 -0.029 873 HB3 ALA 103 3HB ALA 103 -4.731 -4.818 -1.179 874 H GLU 104 H GLU 104 -8.530 -5.192 -1.663 875 HA GLU 104 HA GLU 104 -9.828 -7.101 -0.021 876 HB2 GLU 104 1HB GLU 104 -10.618 -4.795 -0.443 877 HB3 GLU 104 2HB GLU 104 -10.886 -5.186 -2.132 878 HG2 GLU 104 1HG GLU 104 -12.640 -6.830 -1.423 879 HG3 GLU 104 2HG GLU 104 -12.455 -6.209 0.231 880 H LYS 105 H LYS 105 -9.859 -6.714 -3.599 881 HA LYS 105 HA LYS 105 -11.534 -8.969 -4.092 882 HB2 LYS 105 1HB LYS 105 -10.948 -7.192 -5.764 883 HB3 LYS 105 2HB LYS 105 -9.314 -7.870 -5.856 884 HG2 LYS 105 1HG LYS 105 -10.326 -10.052 -6.567 885 HG3 LYS 105 2HG LYS 105 -11.904 -9.251 -6.630 886 HD2 LYS 105 1HD LYS 105 -11.037 -7.700 -8.326 887 HD3 LYS 105 2HD LYS 105 -9.437 -8.477 -8.213 888 HE2 LYS 105 1HE LYS 105 -10.495 -10.655 -8.834 889 HE3 LYS 105 2HE LYS 105 -12.036 -9.806 -9.076 890 HZ1 LYS 105 1HZ LYS 105 -10.949 -8.476 -10.783 891 HZ2 LYS 105 2HZ LYS 105 -10.837 -10.082 -11.146 892 HZ3 LYS 105 3HZ LYS 105 -9.525 -9.277 -10.553 893 H GLU 106 H GLU 106 -7.968 -8.697 -3.840 894 HA GLU 106 HA GLU 106 -7.458 -11.408 -4.612 895 HB2 GLU 106 1HB GLU 106 -5.910 -9.390 -2.973 896 HB3 GLU 106 2HB GLU 106 -5.312 -11.034 -3.244 897 HG2 GLU 106 1HG GLU 106 -5.327 -10.695 -5.650 898 HG3 GLU 106 2HG GLU 106 -6.035 -9.088 -5.453 899 H LEU 107 H LEU 107 -7.999 -9.852 -1.426 900 HA LEU 107 HA LEU 107 -7.561 -12.207 0.109 901 HB2 LEU 107 1HB LEU 107 -7.682 -9.931 1.053 902 HB3 LEU 107 2HB LEU 107 -9.396 -9.849 0.650 903 HG LEU 107 HG LEU 107 -9.910 -11.617 2.257 904 HD11 LEU 107 1HD1 LEU 107 -6.907 -11.655 2.771 905 HD12 LEU 107 2HD1 LEU 107 -7.928 -13.001 2.212 906 HD13 LEU 107 3HD1 LEU 107 -8.116 -12.380 3.860 907 HD21 LEU 107 1HD2 LEU 107 -8.153 -9.418 3.419 908 HD22 LEU 107 2HD2 LEU 107 -9.381 -10.357 4.305 909 HD23 LEU 107 3HD2 LEU 107 -9.876 -9.273 2.991 910 H GLU 108 H GLU 108 -10.556 -10.908 -1.411 911 HA GLU 108 HA GLU 108 -12.308 -12.888 -0.347 912 HB2 GLU 108 1HB GLU 108 -12.324 -11.330 -2.949 913 HB3 GLU 108 2HB GLU 108 -13.611 -12.459 -2.526 914 HG2 GLU 108 1HG GLU 108 -12.808 -10.136 -0.748 915 HG3 GLU 108 2HG GLU 108 -14.041 -10.008 -2.012 916 H SER 109 H SER 109 -10.408 -12.879 -3.434 917 HA SER 109 HA SER 109 -11.271 -15.475 -4.265 918 HB2 SER 109 1HB SER 109 -8.978 -15.412 -5.510 919 HB3 SER 109 2HB SER 109 -10.235 -14.234 -5.935 920 HG SER 109 HG SER 109 -8.226 -13.664 -4.004 921 H HIS 110 H HIS 110 -8.671 -14.469 -2.049 922 HA HIS 110 HA HIS 110 -7.517 -17.138 -2.025 923 HB2 HIS 110 1HB HIS 110 -7.152 -14.760 -0.172 924 HB3 HIS 110 2HB HIS 110 -6.205 -16.248 -0.107 925 HD1 HIS 110 HD1 HIS 110 -6.043 -16.310 -3.472 926 HD2 HIS 110 HD2 HIS 110 -4.845 -13.321 -0.792 927 HE1 HIS 110 HE1 HIS 110 -4.278 -14.933 -4.629 928 H SER 111 H SER 111 -10.132 -15.517 -0.396 929 HA SER 111 HA SER 111 -10.212 -17.561 1.748 930 HB2 SER 111 1HB SER 111 -11.950 -16.221 2.725 931 HB3 SER 111 2HB SER 111 -10.620 -15.146 2.246 932 HG SER 111 HG SER 111 -11.928 -14.898 0.215 933 H SER 112 H SER 112 -11.458 -17.109 -1.396 934 HA SER 112 HA SER 112 -14.086 -18.170 -1.036 935 HB2 SER 112 1HB SER 112 -12.319 -17.922 -3.473 936 HB3 SER 112 2HB SER 112 -14.011 -18.450 -3.534 937 HG SER 112 HG SER 112 -13.139 -15.997 -2.373 938 H TRP 113 H TRP 113 -11.526 -19.981 -0.344 939 HA TRP 113 HA TRP 113 -10.947 -22.226 -0.543 940 HB2 TRP 113 1HB TRP 113 -12.322 -22.003 1.399 941 HB3 TRP 113 2HB TRP 113 -13.799 -22.131 0.444 942 HD1 TRP 113 HD1 TRP 113 -14.496 -24.627 -0.422 943 HE1 TRP 113 HE1 TRP 113 -13.995 -26.972 0.402 944 HE3 TRP 113 HE3 TRP 113 -10.485 -23.496 2.515 945 HZ2 TRP 113 HZ2 TRP 113 -12.125 -28.214 2.168 946 HZ3 TRP 113 HZ3 TRP 113 -9.354 -25.329 3.784 947 HH2 TRP 113 HH2 TRP 113 -10.186 -27.674 3.604 948 H TYR 114 H TYR 114 -10.477 -23.098 -2.517 949 HA TYR 114 HA TYR 114 -12.754 -24.515 -3.850 950 HB2 TYR 114 1HB TYR 114 -11.149 -22.982 -5.183 951 HB3 TYR 114 2HB TYR 114 -9.980 -24.301 -5.012 952 HD1 TYR 114 HD1 TYR 114 -13.133 -23.193 -6.574 953 HD2 TYR 114 HD2 TYR 114 -10.446 -26.523 -6.082 954 HE1 TYR 114 HE1 TYR 114 -14.264 -24.389 -8.453 955 HE2 TYR 114 HE2 TYR 114 -11.583 -27.706 -7.961 956 HH TYR 114 HH TYR 114 -13.249 -27.644 -9.513 957 H ALA 115 H ALA 115 -9.467 -24.858 -2.598 958 HA ALA 115 HA ALA 115 -8.313 -26.541 -1.647 959 HB1 ALA 115 1HB ALA 115 -11.058 -27.765 -1.174 960 HB2 ALA 115 2HB ALA 115 -9.562 -28.246 -0.365 961 HB3 ALA 115 3HB ALA 115 -10.218 -26.617 -0.107 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 8.438 38.558 -1.891 2 H2 GLY 1 2H GLY 1 8.798 36.965 -2.134 3 H3 GLY 1 3H GLY 1 9.720 37.870 -1.111 4 HA2 GLY 1 1HA GLY 1 7.877 38.154 0.398 5 HA3 GLY 1 2HA GLY 1 6.889 37.171 -0.701 6 H SER 2 H SER 2 6.764 36.000 1.589 7 HA SER 2 HA SER 2 9.070 34.418 2.317 8 HB2 SER 2 1HB SER 2 7.204 34.965 3.888 9 HB3 SER 2 2HB SER 2 6.112 33.965 2.909 10 HG SER 2 HG SER 2 8.305 33.183 4.511 11 HA PRO 3 HA PRO 3 8.635 31.430 -0.942 12 HB2 PRO 3 1HB PRO 3 9.646 29.408 1.043 13 HB3 PRO 3 2HB PRO 3 10.275 29.803 -0.587 14 HG2 PRO 3 1HG PRO 3 11.593 30.592 1.560 15 HG3 PRO 3 2HG PRO 3 11.366 31.721 0.184 16 HD2 PRO 3 1HD PRO 3 9.812 31.554 2.773 17 HD3 PRO 3 2HD PRO 3 10.536 32.991 1.966 18 H GLU 4 H GLU 4 7.315 29.630 -1.573 19 HA GLU 4 HA GLU 4 4.853 29.383 -0.188 20 HB2 GLU 4 1HB GLU 4 6.189 27.684 -2.313 21 HB3 GLU 4 2HB GLU 4 4.596 27.307 -1.657 22 HG2 GLU 4 1HG GLU 4 4.013 29.770 -2.270 23 HG3 GLU 4 2HG GLU 4 5.430 29.662 -3.331 24 H PHE 5 H PHE 5 7.802 27.408 -0.063 25 HA PHE 5 HA PHE 5 6.812 25.188 1.355 26 HB2 PHE 5 1HB PHE 5 9.091 25.330 0.443 27 HB3 PHE 5 2HB PHE 5 9.492 26.614 1.590 28 HD1 PHE 5 HD1 PHE 5 10.072 26.139 3.875 29 HD2 PHE 5 HD2 PHE 5 8.742 22.989 1.258 30 HE1 PHE 5 HE1 PHE 5 10.793 24.447 5.554 31 HE2 PHE 5 HE2 PHE 5 9.464 21.288 2.935 32 HZ PHE 5 HZ PHE 5 10.477 22.016 5.092 33 H ASN 6 H ASN 6 7.907 28.372 2.582 34 HA ASN 6 HA ASN 6 7.461 27.554 5.350 35 HB2 ASN 6 1HB ASN 6 8.005 30.281 4.113 36 HB3 ASN 6 2HB ASN 6 7.997 29.926 5.847 37 HD21 ASN 6 1HD2 ASN 6 11.205 28.534 5.883 38 HD22 ASN 6 2HD2 ASN 6 9.733 28.853 6.767 39 H ARG 7 H ARG 7 5.785 29.503 2.875 40 HA ARG 7 HA ARG 7 3.762 30.603 4.552 41 HB2 ARG 7 1HB ARG 7 4.141 31.388 2.280 42 HB3 ARG 7 2HB ARG 7 3.761 29.798 1.621 43 HG2 ARG 7 1HG ARG 7 1.898 31.243 1.197 44 HG3 ARG 7 2HG ARG 7 1.412 30.044 2.397 45 HD2 ARG 7 1HD ARG 7 1.753 31.701 4.198 46 HD3 ARG 7 2HD ARG 7 2.202 32.915 2.977 47 HE ARG 7 HE ARG 7 -0.295 31.828 2.229 48 HH11 ARG 7 1HH1 ARG 7 0.959 33.780 4.890 49 HH12 ARG 7 2HH1 ARG 7 -0.573 34.567 5.155 50 HH21 ARG 7 1HH2 ARG 7 -2.217 32.863 2.633 51 HH22 ARG 7 2HH2 ARG 7 -2.336 34.060 3.894 52 H TYR 8 H TYR 8 3.939 27.459 2.873 53 HA TYR 8 HA TYR 8 1.259 26.774 3.949 54 HB2 TYR 8 1HB TYR 8 3.076 25.199 2.101 55 HB3 TYR 8 2HB TYR 8 1.375 24.880 2.433 56 HD1 TYR 8 HD1 TYR 8 0.327 27.783 2.220 57 HD2 TYR 8 HD2 TYR 8 3.015 25.501 -0.253 58 HE1 TYR 8 HE1 TYR 8 -0.252 29.204 0.261 59 HE2 TYR 8 HE2 TYR 8 2.407 26.921 -2.202 60 HH TYR 8 HH TYR 8 1.351 28.843 -2.904 61 H SER 9 H SER 9 4.230 26.693 5.270 62 HA SER 9 HA SER 9 5.047 24.109 5.648 63 HB2 SER 9 1HB SER 9 5.989 24.891 7.843 64 HB3 SER 9 2HB SER 9 6.350 25.935 6.452 65 HG SER 9 HG SER 9 5.054 27.461 7.206 66 H LYS 10 H LYS 10 2.511 25.627 7.670 67 HA LYS 10 HA LYS 10 2.391 23.536 9.570 68 HB2 LYS 10 1HB LYS 10 -0.198 24.426 9.545 69 HB3 LYS 10 2HB LYS 10 1.130 25.137 10.450 70 HG2 LYS 10 1HG LYS 10 0.053 26.979 9.460 71 HG3 LYS 10 2HG LYS 10 1.479 26.754 8.450 72 HD2 LYS 10 1HD LYS 10 0.085 25.592 6.756 73 HD3 LYS 10 2HD LYS 10 -1.326 25.752 7.819 74 HE2 LYS 10 1HE LYS 10 -1.086 28.234 7.681 75 HE3 LYS 10 2HE LYS 10 0.235 28.003 6.509 76 HZ1 LYS 10 1HZ LYS 10 -1.865 28.328 5.367 77 HZ2 LYS 10 2HZ LYS 10 -2.561 27.066 6.167 78 HZ3 LYS 10 3HZ LYS 10 -1.343 26.791 5.091 79 H GLU 11 H GLU 11 0.252 23.935 6.688 80 HA GLU 11 HA GLU 11 -0.945 21.330 7.205 81 HB2 GLU 11 1HB GLU 11 -1.149 23.266 4.903 82 HB3 GLU 11 2HB GLU 11 -2.047 21.757 4.983 83 HG2 GLU 11 1HG GLU 11 -2.245 23.997 7.016 84 HG3 GLU 11 2HG GLU 11 -3.370 23.750 5.675 85 H HIS 12 H HIS 12 1.690 22.640 5.255 86 HA HIS 12 HA HIS 12 1.977 20.450 3.439 87 HB2 HIS 12 1HB HIS 12 3.167 22.619 3.244 88 HB3 HIS 12 2HB HIS 12 4.067 22.261 4.718 89 HD1 HIS 12 HD1 HIS 12 6.252 22.561 3.188 90 HD2 HIS 12 HD2 HIS 12 3.848 19.263 2.311 91 HE1 HIS 12 HE1 HIS 12 7.623 21.007 1.741 92 H MET 13 H MET 13 3.419 21.078 6.696 93 HA MET 13 HA MET 13 4.757 18.543 6.819 94 HB2 MET 13 1HB MET 13 5.260 20.546 8.239 95 HB3 MET 13 2HB MET 13 3.739 20.279 9.098 96 HG2 MET 13 1HG MET 13 4.568 18.046 9.819 97 HG3 MET 13 2HG MET 13 6.100 18.373 8.988 98 HE1 MET 13 1HE MET 13 3.629 20.436 11.429 99 HE2 MET 13 2HE MET 13 3.949 18.840 12.153 100 HE3 MET 13 3HE MET 13 4.595 20.309 12.919 101 H LYS 14 H LYS 14 1.528 19.653 7.959 102 HA LYS 14 HA LYS 14 0.874 17.204 9.292 103 HB2 LYS 14 1HB LYS 14 -0.294 19.459 9.455 104 HB3 LYS 14 2HB LYS 14 -1.081 19.072 7.921 105 HG2 LYS 14 1HG LYS 14 -2.060 17.027 8.990 106 HG3 LYS 14 2HG LYS 14 -1.284 17.494 10.515 107 HD2 LYS 14 1HD LYS 14 -3.480 18.298 10.733 108 HD3 LYS 14 2HD LYS 14 -2.544 19.731 10.263 109 HE2 LYS 14 1HE LYS 14 -3.226 19.276 7.865 110 HE3 LYS 14 2HE LYS 14 -4.300 18.001 8.475 111 HZ1 LYS 14 1HZ LYS 14 -4.414 20.885 9.154 112 HZ2 LYS 14 2HZ LYS 14 -5.419 19.727 9.793 113 HZ3 LYS 14 3HZ LYS 14 -5.461 20.083 8.176 114 H LYS 15 H LYS 15 0.392 18.278 5.918 115 HA LYS 15 HA LYS 15 -1.116 15.984 5.077 116 HB2 LYS 15 1HB LYS 15 -0.848 18.190 3.831 117 HB3 LYS 15 2HB LYS 15 0.791 17.682 3.417 118 HG2 LYS 15 1HG LYS 15 -0.650 15.526 2.580 119 HG3 LYS 15 2HG LYS 15 -1.813 16.833 2.318 120 HD2 LYS 15 1HD LYS 15 -0.022 18.099 1.083 121 HD3 LYS 15 2HD LYS 15 1.037 16.681 1.245 122 HE2 LYS 15 1HE LYS 15 -1.675 16.727 -0.127 123 HE3 LYS 15 2HE LYS 15 -0.105 16.761 -0.951 124 HZ1 LYS 15 1HZ LYS 15 -0.708 14.563 0.900 125 HZ2 LYS 15 2HZ LYS 15 0.311 14.588 -0.385 126 HZ3 LYS 15 3HZ LYS 15 -1.331 14.537 -0.635 127 H MET 16 H MET 16 2.373 16.828 4.863 128 HA MET 16 HA MET 16 3.260 14.430 3.688 129 HB2 MET 16 1HB MET 16 4.643 16.451 3.970 130 HB3 MET 16 2HB MET 16 4.652 16.215 5.721 131 HG2 MET 16 1HG MET 16 5.876 14.108 5.450 132 HG3 MET 16 2HG MET 16 5.859 14.322 3.690 133 HE1 MET 16 1HE MET 16 8.443 13.966 5.786 134 HE2 MET 16 2HE MET 16 8.622 13.939 4.016 135 HE3 MET 16 3HE MET 16 9.616 15.044 4.992 136 H MET 17 H MET 17 2.662 15.187 7.156 137 HA MET 17 HA MET 17 3.640 12.672 8.126 138 HB2 MET 17 1HB MET 17 3.191 14.613 9.586 139 HB3 MET 17 2HB MET 17 1.461 14.467 9.255 140 HG2 MET 17 1HG MET 17 1.441 12.235 10.297 141 HG3 MET 17 2HG MET 17 3.176 12.380 10.633 142 HE1 MET 17 1HE MET 17 0.823 11.737 12.785 143 HE2 MET 17 2HE MET 17 2.551 11.781 13.213 144 HE3 MET 17 3HE MET 17 1.375 12.719 14.163 145 H LYS 18 H LYS 18 0.334 13.733 7.149 146 HA LYS 18 HA LYS 18 -0.950 11.226 7.672 147 HB2 LYS 18 1HB LYS 18 -2.436 12.976 7.380 148 HB3 LYS 18 2HB LYS 18 -1.521 13.696 6.068 149 HG2 LYS 18 1HG LYS 18 -2.748 11.112 5.302 150 HG3 LYS 18 2HG LYS 18 -3.922 12.333 5.805 151 HD2 LYS 18 1HD LYS 18 -3.056 13.937 4.183 152 HD3 LYS 18 2HD LYS 18 -1.732 12.849 3.764 153 HE2 LYS 18 1HE LYS 18 -3.401 11.182 2.915 154 HE3 LYS 18 2HE LYS 18 -4.695 12.355 3.236 155 HZ1 LYS 18 1HZ LYS 18 -3.955 12.408 0.904 156 HZ2 LYS 18 2HZ LYS 18 -2.412 12.785 1.370 157 HZ3 LYS 18 3HZ LYS 18 -3.650 13.853 1.623 158 H ASP 19 H ASP 19 0.691 12.492 4.751 159 HA ASP 19 HA ASP 19 -0.008 10.274 3.078 160 HB2 ASP 19 1HB ASP 19 2.437 12.073 2.954 161 HB3 ASP 19 2HB ASP 19 1.845 11.041 1.645 162 H LEU 20 H LEU 20 2.872 10.919 5.166 163 HA LEU 20 HA LEU 20 4.120 8.435 4.307 164 HB2 LEU 20 1HB LEU 20 4.784 10.422 6.481 165 HB3 LEU 20 2HB LEU 20 5.695 8.931 6.233 166 HG LEU 20 HG LEU 20 5.384 11.173 4.210 167 HD11 LEU 20 1HD1 LEU 20 6.849 11.705 6.107 168 HD12 LEU 20 2HD1 LEU 20 7.794 11.489 4.621 169 HD13 LEU 20 3HD1 LEU 20 7.760 10.199 5.841 170 HD21 LEU 20 1HD2 LEU 20 7.207 9.815 2.985 171 HD22 LEU 20 2HD2 LEU 20 5.560 9.162 2.908 172 HD23 LEU 20 3HD2 LEU 20 6.752 8.454 4.029 173 H GLU 21 H GLU 21 1.980 9.302 6.967 174 HA GLU 21 HA GLU 21 2.469 6.892 8.491 175 HB2 GLU 21 1HB GLU 21 1.146 8.994 9.175 176 HB3 GLU 21 2HB GLU 21 -0.175 8.365 8.186 177 HG2 GLU 21 1HG GLU 21 -0.103 6.286 9.607 178 HG3 GLU 21 2HG GLU 21 1.067 7.115 10.646 179 H GLY 22 H GLY 22 0.541 7.857 5.683 180 HA2 GLY 22 1HA GLY 22 -0.809 5.345 5.316 181 HA3 GLY 22 2HA GLY 22 -0.567 6.606 4.093 182 H LEU 23 H LEU 23 2.323 6.673 4.150 183 HA LEU 23 HA LEU 23 2.899 4.478 2.401 184 HB2 LEU 23 1HB LEU 23 4.028 6.842 2.800 185 HB3 LEU 23 2HB LEU 23 5.104 5.916 3.845 186 HG LEU 23 HG LEU 23 4.559 5.203 0.940 187 HD11 LEU 23 1HD1 LEU 23 6.855 6.861 2.031 188 HD12 LEU 23 2HD1 LEU 23 5.473 7.489 1.097 189 HD13 LEU 23 3HD1 LEU 23 6.608 6.354 0.342 190 HD21 LEU 23 1HD2 LEU 23 6.833 4.094 1.166 191 HD22 LEU 23 2HD2 LEU 23 5.549 3.348 2.129 192 HD23 LEU 23 3HD2 LEU 23 6.744 4.405 2.913 193 H HIS 24 H HIS 24 3.576 5.066 5.872 194 HA HIS 24 HA HIS 24 4.990 2.612 6.302 195 HB2 HIS 24 1HB HIS 24 4.922 4.529 7.896 196 HB3 HIS 24 2HB HIS 24 3.236 4.140 8.256 197 HD1 HIS 24 HD1 HIS 24 6.214 1.702 7.963 198 HD2 HIS 24 HD2 HIS 24 3.411 3.099 10.745 199 HE1 HIS 24 HE1 HIS 24 6.498 0.330 10.072 200 H ARG 25 H ARG 25 1.489 3.474 6.364 201 HA ARG 25 HA ARG 25 0.633 0.808 7.058 202 HB2 ARG 25 1HB ARG 25 -0.694 3.176 5.801 203 HB3 ARG 25 2HB ARG 25 -1.475 1.598 5.700 204 HG2 ARG 25 1HG ARG 25 -1.372 1.385 8.151 205 HG3 ARG 25 2HG ARG 25 -0.661 3.010 8.257 206 HD2 ARG 25 1HD ARG 25 -3.319 2.413 6.912 207 HD3 ARG 25 2HD ARG 25 -3.180 2.864 8.619 208 HE ARG 25 HE ARG 25 -2.702 4.591 6.268 209 HH11 ARG 25 1HH1 ARG 25 -2.648 4.324 9.794 210 HH12 ARG 25 2HH1 ARG 25 -2.563 6.066 10.003 211 HH21 ARG 25 1HH2 ARG 25 -2.587 6.801 6.658 212 HH22 ARG 25 2HH2 ARG 25 -2.522 7.398 8.308 213 H ALA 26 H ALA 26 1.763 2.176 3.991 214 HA ALA 26 HA ALA 26 0.692 -0.004 2.405 215 HB1 ALA 26 1HB ALA 26 1.325 2.202 1.426 216 HB2 ALA 26 2HB ALA 26 3.036 1.831 1.752 217 HB3 ALA 26 3HB ALA 26 2.109 0.828 0.617 218 H GLU 27 H GLU 27 3.725 0.578 4.247 219 HA GLU 27 HA GLU 27 5.059 -1.831 3.329 220 HB2 GLU 27 1HB GLU 27 5.255 -0.414 6.010 221 HB3 GLU 27 2HB GLU 27 6.379 -1.635 5.416 222 HG2 GLU 27 1HG GLU 27 7.058 -0.155 3.584 223 HG3 GLU 27 2HG GLU 27 5.879 1.057 4.100 224 H GLN 28 H GLN 28 2.866 -1.019 5.993 225 HA GLN 28 HA GLN 28 2.685 -3.643 7.120 226 HB2 GLN 28 1HB GLN 28 0.705 -1.348 7.088 227 HB3 GLN 28 2HB GLN 28 0.502 -2.815 8.041 228 HG2 GLN 28 1HG GLN 28 2.438 -2.314 9.375 229 HG3 GLN 28 2HG GLN 28 2.903 -0.982 8.317 230 HE21 GLN 28 1HE2 GLN 28 1.435 0.908 10.931 231 HE22 GLN 28 2HE2 GLN 28 2.937 0.222 10.359 232 H SER 29 H SER 29 1.154 -2.129 4.269 233 HA SER 29 HA SER 29 -0.822 -4.213 4.034 234 HB2 SER 29 1HB SER 29 -1.472 -3.270 1.996 235 HB3 SER 29 2HB SER 29 -0.972 -1.893 2.993 236 HG SER 29 HG SER 29 1.096 -2.048 1.874 237 H LEU 30 H LEU 30 2.437 -3.778 2.458 238 HA LEU 30 HA LEU 30 2.222 -6.237 0.879 239 HB2 LEU 30 1HB LEU 30 4.776 -6.251 1.193 240 HB3 LEU 30 2HB LEU 30 4.005 -5.102 0.145 241 HG LEU 30 HG LEU 30 4.375 -3.721 2.528 242 HD11 LEU 30 1HD1 LEU 30 6.747 -4.024 3.022 243 HD12 LEU 30 2HD1 LEU 30 6.846 -5.317 1.803 244 HD13 LEU 30 3HD1 LEU 30 5.862 -5.535 3.266 245 HD21 LEU 30 1HD2 LEU 30 5.910 -3.674 -0.069 246 HD22 LEU 30 2HD2 LEU 30 6.187 -2.524 1.253 247 HD23 LEU 30 3HD2 LEU 30 4.611 -2.592 0.464 248 H HIS 31 H HIS 31 3.485 -5.492 4.238 249 HA HIS 31 HA HIS 31 4.059 -8.273 4.660 250 HB2 HIS 31 1HB HIS 31 3.714 -6.001 6.589 251 HB3 HIS 31 2HB HIS 31 4.106 -7.653 7.089 252 HD1 HIS 31 HD1 HIS 31 6.041 -8.145 4.468 253 HD2 HIS 31 HD2 HIS 31 6.254 -5.067 7.295 254 HE1 HIS 31 HE1 HIS 31 8.425 -7.307 4.483 255 H ASP 32 H ASP 32 1.060 -6.441 5.351 256 HA ASP 32 HA ASP 32 -0.252 -8.627 6.692 257 HB2 ASP 32 1HB ASP 32 -1.175 -6.307 6.662 258 HB3 ASP 32 2HB ASP 32 -1.452 -6.455 4.919 259 H LEU 33 H LEU 33 0.047 -7.614 3.252 260 HA LEU 33 HA LEU 33 -1.681 -9.565 2.192 261 HB2 LEU 33 1HB LEU 33 0.669 -8.010 1.116 262 HB3 LEU 33 2HB LEU 33 0.070 -9.364 0.177 263 HG LEU 33 HG LEU 33 -1.876 -7.299 1.177 264 HD11 LEU 33 1HD1 LEU 33 -0.218 -7.024 -1.363 265 HD12 LEU 33 2HD1 LEU 33 -0.124 -5.984 0.066 266 HD13 LEU 33 3HD1 LEU 33 -1.600 -6.014 -0.909 267 HD21 LEU 33 1HD2 LEU 33 -3.123 -7.980 -0.843 268 HD22 LEU 33 2HD2 LEU 33 -2.738 -9.386 0.167 269 HD23 LEU 33 3HD2 LEU 33 -1.796 -9.068 -1.308 270 H GLN 34 H GLN 34 1.928 -9.869 2.736 271 HA GLN 34 HA GLN 34 1.720 -12.650 1.938 272 HB2 GLN 34 1HB GLN 34 3.925 -12.946 3.216 273 HB3 GLN 34 2HB GLN 34 3.891 -12.061 1.723 274 HG2 GLN 34 1HG GLN 34 3.549 -10.366 4.103 275 HG3 GLN 34 2HG GLN 34 5.050 -11.274 4.107 276 HE21 GLN 34 1HE2 GLN 34 4.880 -9.143 0.665 277 HE22 GLN 34 2HE2 GLN 34 3.773 -10.462 0.976 278 H GLU 35 H GLU 35 1.693 -11.159 5.262 279 HA GLU 35 HA GLU 35 1.864 -13.770 6.469 280 HB2 GLU 35 1HB GLU 35 2.051 -12.667 8.376 281 HB3 GLU 35 2HB GLU 35 2.040 -11.206 7.415 282 HG2 GLU 35 1HG GLU 35 0.535 -10.763 9.154 283 HG3 GLU 35 2HG GLU 35 -0.519 -11.145 7.796 284 H ARG 36 H ARG 36 -0.886 -11.733 5.502 285 HA ARG 36 HA ARG 36 -2.874 -13.444 6.694 286 HB2 ARG 36 1HB ARG 36 -2.932 -10.991 5.987 287 HB3 ARG 36 2HB ARG 36 -3.230 -11.560 4.347 288 HG2 ARG 36 1HG ARG 36 -5.360 -12.451 5.007 289 HG3 ARG 36 2HG ARG 36 -4.982 -12.173 6.736 290 HD2 ARG 36 1HD ARG 36 -4.609 -9.769 6.215 291 HD3 ARG 36 2HD ARG 36 -5.146 -10.057 4.559 292 HE ARG 36 HE ARG 36 -7.226 -10.910 6.215 293 HH11 ARG 36 1HH1 ARG 36 -5.486 -7.879 5.639 294 HH12 ARG 36 2HH1 ARG 36 -6.899 -6.906 5.991 295 HH21 ARG 36 1HH2 ARG 36 -8.977 -9.591 6.667 296 HH22 ARG 36 2HH2 ARG 36 -8.827 -7.858 6.569 297 H LEU 37 H LEU 37 -1.372 -13.228 3.425 298 HA LEU 37 HA LEU 37 -3.073 -15.254 2.260 299 HB2 LEU 37 1HB LEU 37 -1.575 -13.769 0.937 300 HB3 LEU 37 2HB LEU 37 -0.176 -14.542 1.673 301 HG LEU 37 HG LEU 37 -1.040 -16.741 0.641 302 HD11 LEU 37 1HD1 LEU 37 -2.668 -14.716 -0.954 303 HD12 LEU 37 2HD1 LEU 37 -3.302 -16.038 0.054 304 HD13 LEU 37 3HD1 LEU 37 -2.406 -16.408 -1.430 305 HD21 LEU 37 1HD2 LEU 37 -0.027 -14.434 -1.043 306 HD22 LEU 37 2HD2 LEU 37 0.015 -16.149 -1.529 307 HD23 LEU 37 3HD2 LEU 37 0.942 -15.597 -0.120 308 H HIS 38 H HIS 38 0.136 -15.340 3.868 309 HA HIS 38 HA HIS 38 0.552 -18.138 3.605 310 HB2 HIS 38 1HB HIS 38 2.226 -16.391 4.367 311 HB3 HIS 38 2HB HIS 38 1.451 -16.426 5.954 312 HD1 HIS 38 HD1 HIS 38 1.679 -18.750 7.344 313 HD2 HIS 38 HD2 HIS 38 3.960 -18.487 3.832 314 HE1 HIS 38 HE1 HIS 38 3.422 -20.594 7.454 315 H LYS 39 H LYS 39 -1.066 -16.249 6.193 316 HA LYS 39 HA LYS 39 -1.673 -18.527 7.832 317 HB2 LYS 39 1HB LYS 39 -1.719 -16.147 8.538 318 HB3 LYS 39 2HB LYS 39 -3.143 -15.876 7.532 319 HG2 LYS 39 1HG LYS 39 -4.502 -17.272 8.879 320 HG3 LYS 39 2HG LYS 39 -3.097 -17.953 9.715 321 HD2 LYS 39 1HD LYS 39 -3.748 -15.009 9.853 322 HD3 LYS 39 2HD LYS 39 -4.477 -16.186 10.968 323 HE2 LYS 39 1HE LYS 39 -2.548 -16.496 12.132 324 HE3 LYS 39 2HE LYS 39 -1.539 -16.437 10.675 325 HZ1 LYS 39 1HZ LYS 39 -1.101 -14.537 12.048 326 HZ2 LYS 39 2HZ LYS 39 -2.688 -14.084 12.042 327 HZ3 LYS 39 3HZ LYS 39 -1.800 -14.030 10.648 328 H ALA 40 H ALA 40 -3.584 -16.812 5.309 329 HA ALA 40 HA ALA 40 -5.912 -18.409 5.599 330 HB1 ALA 40 1HB ALA 40 -6.490 -17.600 3.332 331 HB2 ALA 40 2HB ALA 40 -5.851 -16.274 4.334 332 HB3 ALA 40 3HB ALA 40 -4.818 -17.034 3.098 333 H GLN 41 H GLN 41 -2.863 -18.974 3.732 334 HA GLN 41 HA GLN 41 -4.082 -21.368 2.571 335 HB2 GLN 41 1HB GLN 41 -2.135 -19.910 1.672 336 HB3 GLN 41 2HB GLN 41 -1.108 -20.811 2.781 337 HG2 GLN 41 1HG GLN 41 -2.831 -22.049 0.606 338 HG3 GLN 41 2HG GLN 41 -1.117 -21.672 0.434 339 HE21 GLN 41 1HE2 GLN 41 -2.281 -25.103 2.155 340 HE22 GLN 41 2HE2 GLN 41 -3.402 -23.971 1.420 341 H GLU 42 H GLU 42 -1.408 -20.877 4.942 342 HA GLU 42 HA GLU 42 -1.024 -23.600 5.465 343 HB2 GLU 42 1HB GLU 42 0.490 -21.655 5.943 344 HB3 GLU 42 2HB GLU 42 -0.495 -21.292 7.362 345 HG2 GLU 42 1HG GLU 42 0.120 -23.412 8.380 346 HG3 GLU 42 2HG GLU 42 0.965 -23.909 6.900 347 H GLU 43 H GLU 43 -3.168 -21.315 7.192 348 HA GLU 43 HA GLU 43 -3.877 -23.515 9.033 349 HB2 GLU 43 1HB GLU 43 -4.912 -20.662 8.872 350 HB3 GLU 43 2HB GLU 43 -5.318 -21.842 10.119 351 HG2 GLU 43 1HG GLU 43 -2.937 -21.895 10.831 352 HG3 GLU 43 2HG GLU 43 -2.551 -20.684 9.596 353 H HIS 44 H HIS 44 -5.434 -21.482 6.448 354 HA HIS 44 HA HIS 44 -7.862 -23.079 7.009 355 HB2 HIS 44 1HB HIS 44 -8.072 -20.671 7.056 356 HB3 HIS 44 2HB HIS 44 -7.625 -20.579 5.355 357 HD1 HIS 44 HD1 HIS 44 -10.311 -22.405 7.406 358 HD2 HIS 44 HD2 HIS 44 -9.750 -20.553 3.719 359 HE1 HIS 44 HE1 HIS 44 -12.532 -22.489 6.195 360 H ARG 45 H ARG 45 -5.859 -22.424 4.177 361 HA ARG 45 HA ARG 45 -5.809 -24.555 2.661 362 HB2 ARG 45 1HB ARG 45 -8.200 -25.135 2.888 363 HB3 ARG 45 2HB ARG 45 -8.659 -23.589 2.179 364 HG2 ARG 45 1HG ARG 45 -7.436 -24.422 0.066 365 HG3 ARG 45 2HG ARG 45 -7.412 -26.006 0.868 366 HD2 ARG 45 1HD ARG 45 -9.930 -25.608 1.274 367 HD3 ARG 45 2HD ARG 45 -9.797 -24.306 0.076 368 HE ARG 45 HE ARG 45 -8.687 -26.667 -1.036 369 HH11 ARG 45 1HH1 ARG 45 -11.844 -25.415 -0.085 370 HH12 ARG 45 2HH1 ARG 45 -12.698 -26.457 -1.193 371 HH21 ARG 45 1HH2 ARG 45 -9.848 -27.968 -2.431 372 HH22 ARG 45 2HH2 ARG 45 -11.584 -27.864 -2.507 373 H THR 46 H THR 46 -7.649 -21.550 2.068 374 HA THR 46 HA THR 46 -7.476 -19.882 0.527 375 HB THR 46 HB THR 46 -4.592 -20.827 0.361 376 HG1 THR 46 HG1 THR 46 -5.320 -19.619 2.154 377 HG21 THR 46 1HG2 THR 46 -4.196 -18.639 -0.849 378 HG22 THR 46 2HG2 THR 46 -5.918 -18.665 -1.269 379 HG23 THR 46 3HG2 THR 46 -4.839 -19.978 -1.808 380 H VAL 47 H VAL 47 -8.152 -19.573 -1.559 381 HA VAL 47 HA VAL 47 -9.051 -21.858 -3.006 382 HB VAL 47 HB VAL 47 -8.589 -18.989 -3.971 383 HG11 VAL 47 1HG1 VAL 47 -8.801 -20.501 -5.897 384 HG12 VAL 47 2HG1 VAL 47 -10.274 -21.219 -5.198 385 HG13 VAL 47 3HG1 VAL 47 -10.268 -19.522 -5.730 386 HG21 VAL 47 1HG2 VAL 47 -10.989 -18.670 -3.535 387 HG22 VAL 47 2HG2 VAL 47 -11.128 -20.349 -2.958 388 HG23 VAL 47 3HG2 VAL 47 -10.168 -19.167 -2.048 389 H GLU 48 H GLU 48 -6.179 -19.796 -3.361 390 HA GLU 48 HA GLU 48 -5.161 -21.406 -5.585 391 HB2 GLU 48 1HB GLU 48 -3.965 -19.130 -3.979 392 HB3 GLU 48 2HB GLU 48 -3.142 -19.939 -5.314 393 HG2 GLU 48 1HG GLU 48 -4.895 -19.246 -6.858 394 HG3 GLU 48 2HG GLU 48 -5.739 -18.425 -5.531 395 H VAL 49 H VAL 49 -5.649 -23.049 -3.265 396 HA VAL 49 HA VAL 49 -3.332 -23.456 -1.673 397 HB VAL 49 HB VAL 49 -5.452 -24.597 -1.147 398 HG11 VAL 49 1HG1 VAL 49 -6.214 -25.030 -3.466 399 HG12 VAL 49 2HG1 VAL 49 -5.017 -26.337 -3.597 400 HG13 VAL 49 3HG1 VAL 49 -6.339 -26.454 -2.419 401 HG21 VAL 49 1HG2 VAL 49 -3.289 -25.602 -0.388 402 HG22 VAL 49 2HG2 VAL 49 -4.614 -26.771 -0.533 403 HG23 VAL 49 3HG2 VAL 49 -3.357 -26.700 -1.786 404 H GLU 50 H GLU 50 -1.386 -24.181 -2.098 405 HA GLU 50 HA GLU 50 0.506 -24.784 -3.193 406 HB2 GLU 50 1HB GLU 50 -1.302 -26.429 -4.987 407 HB3 GLU 50 2HB GLU 50 0.459 -26.498 -4.964 408 HG2 GLU 50 1HG GLU 50 0.426 -27.250 -2.629 409 HG3 GLU 50 2HG GLU 50 -1.340 -27.132 -2.601 410 H LYS 51 H LYS 51 -2.078 -23.900 -5.444 411 HA LYS 51 HA LYS 51 -0.440 -22.999 -7.609 412 HB2 LYS 51 1HB LYS 51 -3.241 -22.212 -6.758 413 HB3 LYS 51 2HB LYS 51 -2.543 -21.879 -8.340 414 HG2 LYS 51 1HG LYS 51 -2.528 -24.184 -8.950 415 HG3 LYS 51 2HG LYS 51 -2.830 -24.724 -7.291 416 HD2 LYS 51 1HD LYS 51 -4.821 -22.998 -8.784 417 HD3 LYS 51 2HD LYS 51 -4.821 -24.767 -8.932 418 HE2 LYS 51 1HE LYS 51 -5.213 -25.050 -6.558 419 HE3 LYS 51 2HE LYS 51 -4.966 -23.328 -6.260 420 HZ1 LYS 51 1HZ LYS 51 -6.952 -23.023 -7.808 421 HZ2 LYS 51 2HZ LYS 51 -7.239 -23.550 -6.276 422 HZ3 LYS 51 3HZ LYS 51 -7.284 -24.618 -7.531 423 H VAL 52 H VAL 52 -0.824 -21.621 -4.542 424 HA VAL 52 HA VAL 52 -0.964 -18.855 -5.041 425 HB VAL 52 HB VAL 52 0.797 -18.846 -2.968 426 HG11 VAL 52 1HG1 VAL 52 -1.086 -18.879 -1.409 427 HG12 VAL 52 2HG1 VAL 52 -1.562 -18.043 -2.906 428 HG13 VAL 52 3HG1 VAL 52 -2.103 -19.707 -2.607 429 HG21 VAL 52 1HG2 VAL 52 1.199 -21.343 -3.153 430 HG22 VAL 52 2HG2 VAL 52 0.642 -20.810 -1.557 431 HG23 VAL 52 3HG2 VAL 52 -0.495 -21.599 -2.664 432 H HIS 53 H HIS 53 1.775 -21.106 -5.293 433 HA HIS 53 HA HIS 53 3.999 -20.780 -5.857 434 HB2 HIS 53 1HB HIS 53 2.664 -18.826 -7.768 435 HB3 HIS 53 2HB HIS 53 4.378 -19.248 -7.831 436 HD1 HIS 53 HD1 HIS 53 0.942 -20.761 -8.440 437 HD2 HIS 53 HD2 HIS 53 4.982 -21.676 -8.963 438 HE1 HIS 53 HE1 HIS 53 1.057 -22.821 -9.911 439 H LEU 54 H LEU 54 4.270 -19.894 -3.651 440 HA LEU 54 HA LEU 54 3.765 -17.308 -2.878 441 HB2 LEU 54 1HB LEU 54 6.021 -19.112 -1.988 442 HB3 LEU 54 2HB LEU 54 5.560 -17.623 -1.164 443 HG LEU 54 HG LEU 54 3.722 -20.017 -1.549 444 HD11 LEU 54 1HD1 LEU 54 4.113 -20.440 0.842 445 HD12 LEU 54 2HD1 LEU 54 5.275 -19.091 0.899 446 HD13 LEU 54 3HD1 LEU 54 5.627 -20.536 -0.080 447 HD21 LEU 54 1HD2 LEU 54 2.340 -18.888 0.206 448 HD22 LEU 54 2HD2 LEU 54 2.435 -17.949 -1.294 449 HD23 LEU 54 3HD2 LEU 54 3.414 -17.472 0.111 450 H GLU 55 H GLU 55 6.795 -18.242 -4.604 451 HA GLU 55 HA GLU 55 8.079 -15.724 -4.152 452 HB2 GLU 55 1HB GLU 55 8.248 -17.624 -6.517 453 HB3 GLU 55 2HB GLU 55 9.383 -16.307 -6.196 454 HG2 GLU 55 1HG GLU 55 10.116 -17.374 -4.142 455 HG3 GLU 55 2HG GLU 55 8.883 -18.637 -4.314 456 H LYS 56 H LYS 56 6.014 -16.873 -6.835 457 HA LYS 56 HA LYS 56 5.986 -14.483 -8.399 458 HB2 LYS 56 1HB LYS 56 5.138 -16.596 -9.299 459 HB3 LYS 56 2HB LYS 56 3.975 -16.731 -7.998 460 HG2 LYS 56 1HG LYS 56 3.228 -14.335 -9.203 461 HG3 LYS 56 2HG LYS 56 3.729 -15.343 -10.560 462 HD2 LYS 56 1HD LYS 56 1.412 -15.813 -10.307 463 HD3 LYS 56 2HD LYS 56 2.213 -17.190 -9.533 464 HE2 LYS 56 1HE LYS 56 1.875 -16.073 -7.300 465 HE3 LYS 56 2HE LYS 56 1.011 -14.759 -8.115 466 HZ1 LYS 56 1HZ LYS 56 0.141 -17.607 -7.970 467 HZ2 LYS 56 2HZ LYS 56 -0.658 -16.438 -8.817 468 HZ3 LYS 56 3HZ LYS 56 -0.550 -16.347 -7.178 469 H LYS 57 H LYS 57 3.898 -15.691 -5.770 470 HA LYS 57 HA LYS 57 2.081 -13.497 -5.910 471 HB2 LYS 57 1HB LYS 57 2.227 -15.907 -4.566 472 HB3 LYS 57 2HB LYS 57 2.384 -14.733 -3.256 473 HG2 LYS 57 1HG LYS 57 0.161 -14.764 -5.332 474 HG3 LYS 57 2HG LYS 57 0.042 -15.397 -3.681 475 HD2 LYS 57 1HD LYS 57 0.746 -13.090 -2.889 476 HD3 LYS 57 2HD LYS 57 0.461 -12.519 -4.543 477 HE2 LYS 57 1HE LYS 57 -1.835 -13.299 -4.426 478 HE3 LYS 57 2HE LYS 57 -1.550 -13.925 -2.796 479 HZ1 LYS 57 1HZ LYS 57 -2.593 -11.845 -2.569 480 HZ2 LYS 57 2HZ LYS 57 -1.592 -11.091 -3.637 481 HZ3 LYS 57 3HZ LYS 57 -1.007 -11.577 -2.159 482 H LEU 58 H LEU 58 4.929 -14.047 -3.782 483 HA LEU 58 HA LEU 58 4.646 -11.655 -2.262 484 HB2 LEU 58 1HB LEU 58 7.066 -13.260 -3.157 485 HB3 LEU 58 2HB LEU 58 7.220 -11.840 -2.132 486 HG LEU 58 HG LEU 58 5.551 -14.231 -1.316 487 HD11 LEU 58 1HD1 LEU 58 7.514 -14.979 -0.014 488 HD12 LEU 58 2HD1 LEU 58 8.495 -13.688 -0.747 489 HD13 LEU 58 3HD1 LEU 58 7.843 -15.001 -1.758 490 HD21 LEU 58 1HD2 LEU 58 5.922 -13.347 0.929 491 HD22 LEU 58 2HD2 LEU 58 5.148 -12.139 -0.111 492 HD23 LEU 58 3HD2 LEU 58 6.884 -12.009 0.260 493 H ARG 59 H ARG 59 6.372 -12.366 -5.326 494 HA ARG 59 HA ARG 59 7.450 -9.775 -5.703 495 HB2 ARG 59 1HB ARG 59 7.939 -11.912 -6.950 496 HB3 ARG 59 2HB ARG 59 6.443 -11.707 -7.835 497 HG2 ARG 59 1HG ARG 59 8.653 -9.626 -7.881 498 HG3 ARG 59 2HG ARG 59 8.658 -11.035 -8.945 499 HD2 ARG 59 1HD ARG 59 6.622 -8.800 -8.877 500 HD3 ARG 59 2HD ARG 59 7.742 -9.190 -10.183 501 HE ARG 59 HE ARG 59 5.128 -10.362 -9.636 502 HH11 ARG 59 1HH1 ARG 59 8.229 -11.085 -11.207 503 HH12 ARG 59 2HH1 ARG 59 7.497 -12.262 -12.263 504 HH21 ARG 59 1HH2 ARG 59 4.301 -11.818 -10.966 505 HH22 ARG 59 2HH2 ARG 59 5.296 -12.687 -12.123 506 H ASP 60 H ASP 60 4.294 -11.112 -6.779 507 HA ASP 60 HA ASP 60 3.484 -8.717 -8.127 508 HB2 ASP 60 1HB ASP 60 1.927 -11.087 -7.032 509 HB3 ASP 60 2HB ASP 60 1.181 -9.777 -7.962 510 H GLU 61 H GLU 61 2.615 -9.944 -4.837 511 HA GLU 61 HA GLU 61 0.753 -7.764 -4.448 512 HB2 GLU 61 1HB GLU 61 0.325 -8.731 -2.346 513 HB3 GLU 61 2HB GLU 61 0.656 -10.063 -3.439 514 HG2 GLU 61 1HG GLU 61 3.044 -10.027 -2.508 515 HG3 GLU 61 2HG GLU 61 2.427 -8.956 -1.248 516 H ILE 62 H ILE 62 4.095 -8.366 -3.265 517 HA ILE 62 HA ILE 62 4.238 -5.924 -1.819 518 HB ILE 62 HB ILE 62 6.555 -7.455 -3.094 519 HG12 ILE 62 1HG1 ILE 62 5.371 -7.617 -0.289 520 HG13 ILE 62 2HG1 ILE 62 5.117 -8.828 -1.528 521 HG21 ILE 62 1HG2 ILE 62 7.936 -6.307 -1.447 522 HG22 ILE 62 2HG2 ILE 62 6.994 -5.064 -2.284 523 HG23 ILE 62 3HG2 ILE 62 6.497 -5.611 -0.667 524 HD11 ILE 62 1HD1 ILE 62 7.634 -9.179 -1.568 525 HD12 ILE 62 2HD1 ILE 62 7.702 -8.152 -0.109 526 HD13 ILE 62 3HD1 ILE 62 6.794 -9.670 -0.083 527 H ASN 63 H ASN 63 4.812 -6.716 -5.330 528 HA ASN 63 HA ASN 63 5.732 -4.020 -5.868 529 HB2 ASN 63 1HB ASN 63 4.727 -6.253 -7.569 530 HB3 ASN 63 2HB ASN 63 4.615 -4.621 -8.221 531 HD21 ASN 63 1HD2 ASN 63 7.955 -6.354 -8.876 532 HD22 ASN 63 2HD2 ASN 63 6.339 -7.020 -8.814 533 H LEU 64 H LEU 64 2.514 -5.437 -5.475 534 HA LEU 64 HA LEU 64 1.050 -3.226 -6.610 535 HB2 LEU 64 1HB LEU 64 0.317 -5.641 -5.872 536 HB3 LEU 64 2HB LEU 64 0.130 -4.930 -4.289 537 HG LEU 64 HG LEU 64 -1.486 -4.433 -6.763 538 HD11 LEU 64 1HD1 LEU 64 -1.983 -6.382 -5.321 539 HD12 LEU 64 2HD1 LEU 64 -3.288 -5.181 -5.237 540 HD13 LEU 64 3HD1 LEU 64 -2.118 -5.307 -3.912 541 HD21 LEU 64 1HD2 LEU 64 -1.612 -2.821 -4.194 542 HD22 LEU 64 2HD2 LEU 64 -2.818 -2.800 -5.494 543 HD23 LEU 64 3HD2 LEU 64 -1.182 -2.211 -5.812 544 H ALA 65 H ALA 65 2.017 -4.136 -3.262 545 HA ALA 65 HA ALA 65 1.020 -1.727 -2.061 546 HB1 ALA 65 1HB ALA 65 3.225 -3.602 -1.197 547 HB2 ALA 65 2HB ALA 65 2.434 -2.378 -0.173 548 HB3 ALA 65 3HB ALA 65 1.494 -3.748 -0.804 549 H LYS 66 H LYS 66 4.088 -2.554 -3.619 550 HA LYS 66 HA LYS 66 5.557 -0.201 -2.865 551 HB2 LYS 66 1HB LYS 66 6.532 -2.266 -3.840 552 HB3 LYS 66 2HB LYS 66 5.722 -1.910 -5.362 553 HG2 LYS 66 1HG LYS 66 7.057 0.182 -5.538 554 HG3 LYS 66 2HG LYS 66 7.960 -0.338 -4.090 555 HD2 LYS 66 1HD LYS 66 8.523 -2.457 -5.233 556 HD3 LYS 66 2HD LYS 66 7.622 -1.917 -6.662 557 HE2 LYS 66 1HE LYS 66 9.163 -0.001 -6.899 558 HE3 LYS 66 2HE LYS 66 10.099 -0.604 -5.505 559 HZ1 LYS 66 1HZ LYS 66 9.570 -2.138 -7.989 560 HZ2 LYS 66 2HZ LYS 66 10.485 -2.648 -6.718 561 HZ3 LYS 66 3HZ LYS 66 10.996 -1.379 -7.642 562 H GLN 67 H GLN 67 3.260 -0.915 -5.529 563 HA GLN 67 HA GLN 67 3.645 1.598 -6.880 564 HB2 GLN 67 1HB GLN 67 2.382 -0.305 -7.902 565 HB3 GLN 67 2HB GLN 67 1.119 -0.088 -6.689 566 HG2 GLN 67 1HG GLN 67 0.824 2.281 -7.532 567 HG3 GLN 67 2HG GLN 67 1.917 1.870 -8.860 568 HE21 GLN 67 1HE2 GLN 67 -1.767 0.021 -8.712 569 HE22 GLN 67 2HE2 GLN 67 -0.913 0.367 -7.228 570 H GLU 68 H GLU 68 1.247 0.463 -4.396 571 HA GLU 68 HA GLU 68 0.035 2.954 -3.930 572 HB2 GLU 68 1HB GLU 68 -0.505 0.651 -2.971 573 HB3 GLU 68 2HB GLU 68 0.728 0.961 -1.753 574 HG2 GLU 68 1HG GLU 68 -0.478 2.953 -1.025 575 HG3 GLU 68 2HG GLU 68 -1.700 2.673 -2.269 576 H ALA 69 H ALA 69 3.039 1.655 -2.418 577 HA ALA 69 HA ALA 69 3.515 3.851 -0.694 578 HB1 ALA 69 1HB ALA 69 4.702 1.705 -0.529 579 HB2 ALA 69 2HB ALA 69 5.519 2.022 -2.078 580 HB3 ALA 69 3HB ALA 69 5.854 3.051 -0.672 581 H GLN 70 H GLN 70 4.397 3.436 -4.155 582 HA GLN 70 HA GLN 70 6.022 5.799 -4.320 583 HB2 GLN 70 1HB GLN 70 5.877 3.999 -6.074 584 HB3 GLN 70 2HB GLN 70 4.267 4.597 -6.492 585 HG2 GLN 70 1HG GLN 70 5.267 6.821 -7.027 586 HG3 GLN 70 2HG GLN 70 6.871 6.142 -6.716 587 HE21 GLN 70 1HE2 GLN 70 5.485 5.952 -10.355 588 HE22 GLN 70 2HE2 GLN 70 5.110 7.154 -9.129 589 H ARG 71 H ARG 71 2.514 5.199 -4.713 590 HA ARG 71 HA ARG 71 1.828 7.869 -5.516 591 HB2 ARG 71 1HB ARG 71 0.145 5.988 -3.818 592 HB3 ARG 71 2HB ARG 71 -0.434 7.343 -4.768 593 HG2 ARG 71 1HG ARG 71 0.725 4.770 -5.841 594 HG3 ARG 71 2HG ARG 71 -0.972 5.224 -5.833 595 HD2 ARG 71 1HD ARG 71 -0.478 7.101 -7.307 596 HD3 ARG 71 2HD ARG 71 1.243 6.678 -7.295 597 HE ARG 71 HE ARG 71 -0.296 4.435 -8.140 598 HH11 ARG 71 1HH1 ARG 71 0.759 7.598 -9.320 599 HH12 ARG 71 2HH1 ARG 71 0.750 7.067 -10.986 600 HH21 ARG 71 1HH2 ARG 71 -0.301 3.843 -10.293 601 HH22 ARG 71 2HH2 ARG 71 0.134 4.997 -11.521 602 H LEU 72 H LEU 72 2.289 6.313 -2.324 603 HA LEU 72 HA LEU 72 1.406 8.639 -0.878 604 HB2 LEU 72 1HB LEU 72 2.823 6.117 -0.092 605 HB3 LEU 72 2HB LEU 72 2.392 7.388 1.075 606 HG LEU 72 HG LEU 72 0.275 6.436 -0.825 607 HD11 LEU 72 1HD1 LEU 72 -0.396 4.604 0.590 608 HD12 LEU 72 2HD1 LEU 72 1.001 4.876 1.633 609 HD13 LEU 72 3HD1 LEU 72 1.242 4.344 -0.029 610 HD21 LEU 72 1HD2 LEU 72 -0.143 8.294 0.757 611 HD22 LEU 72 2HD2 LEU 72 0.177 7.191 2.106 612 HD23 LEU 72 3HD2 LEU 72 -1.212 6.906 1.038 613 H LYS 73 H LYS 73 4.456 7.639 -2.270 614 HA LYS 73 HA LYS 73 6.029 9.638 -0.836 615 HB2 LYS 73 1HB LYS 73 7.195 7.777 -1.783 616 HB3 LYS 73 2HB LYS 73 6.458 8.007 -3.357 617 HG2 LYS 73 1HG LYS 73 8.204 10.221 -2.321 618 HG3 LYS 73 2HG LYS 73 8.970 8.719 -2.873 619 HD2 LYS 73 1HD LYS 73 7.684 8.923 -5.042 620 HD3 LYS 73 2HD LYS 73 7.132 10.513 -4.500 621 HE2 LYS 73 1HE LYS 73 9.515 11.224 -4.298 622 HE3 LYS 73 2HE LYS 73 9.978 9.680 -5.061 623 HZ1 LYS 73 1HZ LYS 73 8.264 11.820 -6.212 624 HZ2 LYS 73 2HZ LYS 73 8.456 10.338 -6.919 625 HZ3 LYS 73 3HZ LYS 73 9.748 11.353 -6.751 626 H GLU 74 H GLU 74 4.382 9.468 -4.047 627 HA GLU 74 HA GLU 74 5.226 12.133 -4.768 628 HB2 GLU 74 1HB GLU 74 3.026 10.345 -5.833 629 HB3 GLU 74 2HB GLU 74 3.431 11.936 -6.515 630 HG2 GLU 74 1HG GLU 74 5.816 11.148 -6.766 631 HG3 GLU 74 2HG GLU 74 5.299 9.537 -6.268 632 H LEU 75 H LEU 75 2.466 10.818 -3.006 633 HA LEU 75 HA LEU 75 1.026 13.281 -2.730 634 HB2 LEU 75 1HB LEU 75 1.250 10.710 -1.194 635 HB3 LEU 75 2HB LEU 75 0.434 12.059 -0.458 636 HG LEU 75 HG LEU 75 -0.424 11.034 -3.145 637 HD11 LEU 75 1HD1 LEU 75 -1.289 10.068 -0.399 638 HD12 LEU 75 2HD1 LEU 75 -0.483 9.118 -1.670 639 HD13 LEU 75 3HD1 LEU 75 -2.125 9.702 -1.924 640 HD21 LEU 75 1HD2 LEU 75 -2.555 12.031 -2.484 641 HD22 LEU 75 2HD2 LEU 75 -1.266 13.233 -2.408 642 HD23 LEU 75 3HD2 LEU 75 -1.877 12.490 -0.908 643 H ARG 76 H ARG 76 3.573 11.724 -0.670 644 HA ARG 76 HA ARG 76 3.430 13.794 1.311 645 HB2 ARG 76 1HB ARG 76 5.094 12.714 2.462 646 HB3 ARG 76 2HB ARG 76 4.364 11.403 1.555 647 HG2 ARG 76 1HG ARG 76 6.459 10.865 0.952 648 HG3 ARG 76 2HG ARG 76 6.385 12.250 -0.128 649 HD2 ARG 76 1HD ARG 76 7.095 13.551 2.082 650 HD3 ARG 76 2HD ARG 76 7.783 11.966 2.467 651 HE ARG 76 HE ARG 76 9.064 12.087 0.376 652 HH11 ARG 76 1HH1 ARG 76 7.685 15.162 1.471 653 HH12 ARG 76 2HH1 ARG 76 8.850 16.093 0.569 654 HH21 ARG 76 1HH2 ARG 76 10.458 13.354 -0.786 655 HH22 ARG 76 2HH2 ARG 76 10.365 15.088 -0.703 656 H GLU 77 H GLU 77 4.983 13.819 -1.773 657 HA GLU 77 HA GLU 77 6.648 16.093 -0.809 658 HB2 GLU 77 1HB GLU 77 7.856 16.000 -2.858 659 HB3 GLU 77 2HB GLU 77 7.768 14.403 -2.119 660 HG2 GLU 77 1HG GLU 77 5.876 13.902 -3.716 661 HG3 GLU 77 2HG GLU 77 6.315 15.389 -4.565 662 H GLY 78 H GLY 78 3.560 15.722 -1.550 663 HA2 GLY 78 1HA GLY 78 3.254 18.134 -3.219 664 HA3 GLY 78 2HA GLY 78 1.961 17.132 -2.525 665 H THR 79 H THR 79 1.557 19.796 -2.245 666 HA THR 79 HA THR 79 2.150 20.254 0.632 667 HB THR 79 HB THR 79 3.845 21.495 -0.769 668 HG1 THR 79 HG1 THR 79 3.542 22.413 1.145 669 HG21 THR 79 1HG2 THR 79 3.170 23.472 -2.017 670 HG22 THR 79 2HG2 THR 79 1.463 23.161 -1.664 671 HG23 THR 79 3HG2 THR 79 2.372 22.043 -2.702 672 H GLU 80 H GLU 80 0.808 22.472 1.213 673 HA GLU 80 HA GLU 80 -1.897 21.595 1.104 674 HB2 GLU 80 1HB GLU 80 -2.245 23.144 2.685 675 HB3 GLU 80 2HB GLU 80 -0.487 23.293 2.675 676 HG2 GLU 80 1HG GLU 80 -0.738 25.225 1.060 677 HG3 GLU 80 2HG GLU 80 -2.490 25.109 1.259 678 H ASN 81 H ASN 81 -0.135 23.757 -1.035 679 HA ASN 81 HA ASN 81 -2.641 24.729 -2.232 680 HB2 ASN 81 1HB ASN 81 -0.647 26.212 -2.026 681 HB3 ASN 81 2HB ASN 81 0.213 25.175 -3.173 682 HD21 ASN 81 1HD2 ASN 81 -1.657 28.168 -4.711 683 HD22 ASN 81 2HD2 ASN 81 -0.750 28.040 -3.222 684 H GLU 82 H GLU 82 -3.605 22.869 -3.003 685 HA GLU 82 HA GLU 82 -2.203 21.389 -5.118 686 HB2 GLU 82 1HB GLU 82 -3.881 20.309 -3.593 687 HB3 GLU 82 2HB GLU 82 -5.143 21.288 -4.356 688 HG2 GLU 82 1HG GLU 82 -4.657 20.268 -6.519 689 HG3 GLU 82 2HG GLU 82 -3.285 19.391 -5.827 690 H ARG 83 H ARG 83 -1.641 23.267 -6.340 691 HA ARG 83 HA ARG 83 -3.448 25.112 -7.513 692 HB2 ARG 83 1HB ARG 83 -0.746 24.055 -8.051 693 HB3 ARG 83 2HB ARG 83 -1.599 24.510 -9.528 694 HG2 ARG 83 1HG ARG 83 -1.923 26.774 -8.726 695 HG3 ARG 83 2HG ARG 83 -1.228 26.360 -7.152 696 HD2 ARG 83 1HD ARG 83 0.283 26.127 -9.766 697 HD3 ARG 83 2HD ARG 83 0.347 27.553 -8.719 698 HE ARG 83 HE ARG 83 1.528 24.883 -8.204 699 HH11 ARG 83 1HH1 ARG 83 0.893 28.118 -6.895 700 HH12 ARG 83 2HH1 ARG 83 2.106 27.945 -5.643 701 HH21 ARG 83 1HH2 ARG 83 3.027 24.759 -6.583 702 HH22 ARG 83 2HH2 ARG 83 3.304 26.114 -5.497 703 H SER 84 H SER 84 -4.695 25.053 -9.428 704 HA SER 84 HA SER 84 -6.102 22.699 -9.912 705 HB2 SER 84 1HB SER 84 -5.793 24.742 -12.087 706 HB3 SER 84 2HB SER 84 -7.263 23.946 -11.480 707 HG SER 84 HG SER 84 -7.246 25.272 -9.721 708 H ARG 85 H ARG 85 -3.084 23.691 -11.458 709 HA ARG 85 HA ARG 85 -3.412 21.590 -13.530 710 HB2 ARG 85 1HB ARG 85 -1.137 23.560 -13.080 711 HB3 ARG 85 2HB ARG 85 -1.306 22.446 -14.446 712 HG2 ARG 85 1HG ARG 85 -3.611 23.640 -14.806 713 HG3 ARG 85 2HG ARG 85 -2.893 24.932 -13.825 714 HD2 ARG 85 1HD ARG 85 -1.720 23.758 -16.379 715 HD3 ARG 85 2HD ARG 85 -2.577 25.304 -16.252 716 HE ARG 85 HE ARG 85 -0.397 25.293 -14.417 717 HH11 ARG 85 1HH1 ARG 85 -0.951 25.450 -17.900 718 HH12 ARG 85 2HH1 ARG 85 0.525 26.330 -18.189 719 HH21 ARG 85 1HH2 ARG 85 1.488 26.396 -14.869 720 HH22 ARG 85 2HH2 ARG 85 1.879 26.846 -16.505 721 H GLN 86 H GLN 86 -2.744 21.427 -10.413 722 HA GLN 86 HA GLN 86 -0.759 19.220 -10.764 723 HB2 GLN 86 1HB GLN 86 -0.861 21.297 -8.535 724 HB3 GLN 86 2HB GLN 86 0.146 19.844 -8.522 725 HG2 GLN 86 1HG GLN 86 1.307 20.651 -10.559 726 HG3 GLN 86 2HG GLN 86 0.361 22.147 -10.480 727 HE21 GLN 86 1HE2 GLN 86 3.343 21.447 -7.738 728 HE22 GLN 86 2HE2 GLN 86 2.604 20.116 -8.593 729 H LYS 87 H LYS 87 -3.774 19.423 -10.638 730 HA LYS 87 HA LYS 87 -4.665 18.594 -8.046 731 HB2 LYS 87 1HB LYS 87 -5.862 19.275 -10.452 732 HB3 LYS 87 2HB LYS 87 -6.208 17.548 -10.332 733 HG2 LYS 87 1HG LYS 87 -6.868 19.622 -8.183 734 HG3 LYS 87 2HG LYS 87 -8.022 18.993 -9.375 735 HD2 LYS 87 1HD LYS 87 -7.697 16.701 -8.470 736 HD3 LYS 87 2HD LYS 87 -6.554 17.349 -7.293 737 HE2 LYS 87 1HE LYS 87 -8.550 18.903 -6.614 738 HE3 LYS 87 2HE LYS 87 -9.514 17.573 -7.325 739 HZ1 LYS 87 1HZ LYS 87 -9.045 17.083 -5.014 740 HZ2 LYS 87 2HZ LYS 87 -7.428 17.363 -5.208 741 HZ3 LYS 87 3HZ LYS 87 -8.134 16.049 -5.925 742 H TYR 88 H TYR 88 -2.761 16.955 -10.311 743 HA TYR 88 HA TYR 88 -3.693 14.310 -9.975 744 HB2 TYR 88 1HB TYR 88 -2.038 13.836 -11.372 745 HB3 TYR 88 2HB TYR 88 -1.696 15.564 -11.416 746 HD1 TYR 88 HD1 TYR 88 -0.509 12.272 -10.388 747 HD2 TYR 88 HD2 TYR 88 0.138 16.500 -9.872 748 HE1 TYR 88 HE1 TYR 88 1.776 11.818 -9.500 749 HE2 TYR 88 HE2 TYR 88 2.425 16.025 -8.971 750 HH TYR 88 HH TYR 88 3.726 12.692 -8.753 751 H ALA 89 H ALA 89 -2.139 16.423 -7.641 752 HA ALA 89 HA ALA 89 -0.649 14.409 -6.278 753 HB1 ALA 89 1HB ALA 89 -1.908 16.975 -5.200 754 HB2 ALA 89 2HB ALA 89 -0.659 16.005 -4.379 755 HB3 ALA 89 3HB ALA 89 -0.285 16.814 -5.918 756 H GLU 90 H GLU 90 -3.962 15.727 -5.334 757 HA GLU 90 HA GLU 90 -4.157 13.503 -3.424 758 HB2 GLU 90 1HB GLU 90 -6.164 15.591 -4.276 759 HB3 GLU 90 2HB GLU 90 -6.530 14.291 -3.137 760 HG2 GLU 90 1HG GLU 90 -4.369 16.413 -2.765 761 HG3 GLU 90 2HG GLU 90 -5.937 16.377 -1.950 762 H GLU 91 H GLU 91 -4.748 13.955 -6.781 763 HA GLU 91 HA GLU 91 -6.608 11.794 -7.153 764 HB2 GLU 91 1HB GLU 91 -5.788 13.491 -8.897 765 HB3 GLU 91 2HB GLU 91 -4.324 12.516 -8.988 766 HG2 GLU 91 1HG GLU 91 -5.877 10.546 -9.495 767 HG3 GLU 91 2HG GLU 91 -7.107 11.781 -9.814 768 H GLU 92 H GLU 92 -3.074 11.986 -6.427 769 HA GLU 92 HA GLU 92 -2.630 9.200 -7.006 770 HB2 GLU 92 1HB GLU 92 -1.103 11.083 -5.208 771 HB3 GLU 92 2HB GLU 92 -0.637 9.418 -5.488 772 HG2 GLU 92 1HG GLU 92 -0.922 11.448 -7.709 773 HG3 GLU 92 2HG GLU 92 0.589 11.123 -6.867 774 H LEU 93 H LEU 93 -4.165 10.870 -4.341 775 HA LEU 93 HA LEU 93 -3.983 8.599 -2.511 776 HB2 LEU 93 1HB LEU 93 -4.417 11.014 -1.813 777 HB3 LEU 93 2HB LEU 93 -6.032 10.834 -2.487 778 HG LEU 93 HG LEU 93 -6.428 8.940 -0.877 779 HD11 LEU 93 1HD1 LEU 93 -4.132 8.301 -0.343 780 HD12 LEU 93 2HD1 LEU 93 -4.948 8.841 1.133 781 HD13 LEU 93 3HD1 LEU 93 -3.796 9.920 0.309 782 HD21 LEU 93 1HD2 LEU 93 -6.765 10.450 1.059 783 HD22 LEU 93 2HD2 LEU 93 -7.294 11.176 -0.471 784 HD23 LEU 93 3HD2 LEU 93 -5.756 11.678 0.253 785 H GLU 94 H GLU 94 -6.196 9.760 -5.054 786 HA GLU 94 HA GLU 94 -8.214 7.737 -4.547 787 HB2 GLU 94 1HB GLU 94 -8.481 9.841 -5.978 788 HB3 GLU 94 2HB GLU 94 -7.549 9.007 -7.222 789 HG2 GLU 94 1HG GLU 94 -9.733 8.615 -7.895 790 HG3 GLU 94 2HG GLU 94 -9.346 7.131 -7.018 791 H GLN 95 H GLN 95 -5.175 7.918 -6.410 792 HA GLN 95 HA GLN 95 -5.388 5.292 -7.581 793 HB2 GLN 95 1HB GLN 95 -3.280 7.334 -7.201 794 HB3 GLN 95 2HB GLN 95 -2.706 5.679 -7.291 795 HG2 GLN 95 1HG GLN 95 -2.578 6.526 -9.484 796 HG3 GLN 95 2HG GLN 95 -3.969 5.439 -9.461 797 HE21 GLN 95 1HE2 GLN 95 -4.403 9.406 -10.334 798 HE22 GLN 95 2HE2 GLN 95 -2.880 8.774 -9.720 799 H VAL 96 H VAL 96 -4.223 6.449 -4.393 800 HA VAL 96 HA VAL 96 -3.113 3.921 -3.512 801 HB VAL 96 HB VAL 96 -4.272 6.313 -1.995 802 HG11 VAL 96 1HG1 VAL 96 -4.756 4.470 -0.528 803 HG12 VAL 96 2HG1 VAL 96 -3.158 3.751 -0.801 804 HG13 VAL 96 3HG1 VAL 96 -3.307 5.273 0.098 805 HG21 VAL 96 1HG2 VAL 96 -1.453 5.227 -2.113 806 HG22 VAL 96 2HG2 VAL 96 -2.072 6.562 -3.102 807 HG23 VAL 96 3HG2 VAL 96 -2.000 6.737 -1.347 808 H ARG 97 H ARG 97 -6.342 5.430 -3.324 809 HA ARG 97 HA ARG 97 -7.627 3.372 -1.833 810 HB2 ARG 97 1HB ARG 97 -8.670 5.530 -2.235 811 HB3 ARG 97 2HB ARG 97 -8.606 5.281 -3.967 812 HG2 ARG 97 1HG ARG 97 -10.199 3.350 -3.688 813 HG3 ARG 97 2HG ARG 97 -10.436 3.914 -2.012 814 HD2 ARG 97 1HD ARG 97 -11.062 6.125 -2.843 815 HD3 ARG 97 2HD ARG 97 -10.693 5.628 -4.501 816 HE ARG 97 HE ARG 97 -12.668 3.895 -3.396 817 HH11 ARG 97 1HH1 ARG 97 -12.284 7.176 -4.675 818 HH12 ARG 97 2HH1 ARG 97 -13.952 7.263 -5.181 819 HH21 ARG 97 1HH2 ARG 97 -14.781 4.088 -4.071 820 HH22 ARG 97 2HH2 ARG 97 -15.337 5.548 -4.844 821 H GLU 98 H GLU 98 -7.096 3.720 -5.381 822 HA GLU 98 HA GLU 98 -8.470 1.229 -5.939 823 HB2 GLU 98 1HB GLU 98 -6.595 2.956 -7.562 824 HB3 GLU 98 2HB GLU 98 -7.316 1.464 -8.182 825 HG2 GLU 98 1HG GLU 98 -8.858 3.894 -7.185 826 HG3 GLU 98 2HG GLU 98 -8.606 3.449 -8.880 827 H ALA 99 H ALA 99 -5.092 2.024 -5.147 828 HA ALA 99 HA ALA 99 -3.966 -0.528 -5.891 829 HB1 ALA 99 1HB ALA 99 -3.120 1.348 -3.661 830 HB2 ALA 99 2HB ALA 99 -2.144 0.069 -4.408 831 HB3 ALA 99 3HB ALA 99 -2.625 1.496 -5.362 832 H LEU 100 H LEU 100 -5.271 0.794 -2.808 833 HA LEU 100 HA LEU 100 -5.045 -1.624 -1.320 834 HB2 LEU 100 1HB LEU 100 -5.428 0.669 -0.404 835 HB3 LEU 100 2HB LEU 100 -7.074 0.620 -1.032 836 HG LEU 100 HG LEU 100 -7.578 -1.295 0.475 837 HD11 LEU 100 1HD1 LEU 100 -5.974 -1.738 2.364 838 HD12 LEU 100 2HD1 LEU 100 -4.750 -0.774 1.500 839 HD13 LEU 100 3HD1 LEU 100 -5.375 -2.281 0.788 840 HD21 LEU 100 1HD2 LEU 100 -7.627 0.049 2.538 841 HD22 LEU 100 2HD2 LEU 100 -8.066 1.030 1.124 842 HD23 LEU 100 3HD2 LEU 100 -6.441 1.179 1.839 843 H ARG 101 H ARG 101 -7.654 -0.317 -3.370 844 HA ARG 101 HA ARG 101 -9.604 -2.343 -2.841 845 HB2 ARG 101 1HB ARG 101 -9.944 -0.154 -4.027 846 HB3 ARG 101 2HB ARG 101 -9.091 -0.824 -5.417 847 HG2 ARG 101 1HG ARG 101 -10.854 -2.587 -5.569 848 HG3 ARG 101 2HG ARG 101 -11.742 -1.722 -4.288 849 HD2 ARG 101 1HD ARG 101 -11.658 0.333 -5.673 850 HD3 ARG 101 2HD ARG 101 -10.814 -0.573 -6.938 851 HE ARG 101 HE ARG 101 -13.283 -1.857 -6.275 852 HH11 ARG 101 1HH1 ARG 101 -12.000 0.933 -8.040 853 HH12 ARG 101 2HH1 ARG 101 -13.386 0.996 -9.108 854 HH21 ARG 101 1HH2 ARG 101 -15.009 -1.704 -7.672 855 HH22 ARG 101 2HH2 ARG 101 -15.044 -0.480 -8.913 856 H LYS 102 H LYS 102 -6.838 -2.230 -5.128 857 HA LYS 102 HA LYS 102 -7.591 -4.702 -6.439 858 HB2 LYS 102 1HB LYS 102 -6.012 -3.059 -7.425 859 HB3 LYS 102 2HB LYS 102 -4.843 -3.443 -6.159 860 HG2 LYS 102 1HG LYS 102 -4.701 -5.761 -6.946 861 HG3 LYS 102 2HG LYS 102 -5.920 -5.432 -8.190 862 HD2 LYS 102 1HD LYS 102 -4.458 -3.853 -9.293 863 HD3 LYS 102 2HD LYS 102 -3.267 -3.967 -7.988 864 HE2 LYS 102 1HE LYS 102 -4.104 -6.315 -9.740 865 HE3 LYS 102 2HE LYS 102 -2.689 -5.295 -10.054 866 HZ1 LYS 102 1HZ LYS 102 -1.839 -5.976 -7.849 867 HZ2 LYS 102 2HZ LYS 102 -2.016 -7.256 -8.867 868 HZ3 LYS 102 3HZ LYS 102 -3.104 -7.014 -7.658 869 H ALA 103 H ALA 103 -5.580 -3.898 -3.576 870 HA ALA 103 HA ALA 103 -4.671 -6.594 -3.145 871 HB1 ALA 103 1HB ALA 103 -5.141 -4.361 -1.109 872 HB2 ALA 103 2HB ALA 103 -4.158 -5.818 -0.858 873 HB3 ALA 103 3HB ALA 103 -3.651 -4.599 -2.049 874 H GLU 104 H GLU 104 -7.514 -4.754 -2.003 875 HA GLU 104 HA GLU 104 -8.681 -6.756 -0.349 876 HB2 GLU 104 1HB GLU 104 -9.409 -4.385 -0.459 877 HB3 GLU 104 2HB GLU 104 -9.960 -4.632 -2.110 878 HG2 GLU 104 1HG GLU 104 -11.615 -6.315 -1.250 879 HG3 GLU 104 2HG GLU 104 -11.145 -5.841 0.393 880 H LYS 105 H LYS 105 -9.089 -6.051 -3.841 881 HA LYS 105 HA LYS 105 -10.962 -8.143 -4.341 882 HB2 LYS 105 1HB LYS 105 -10.536 -6.234 -5.871 883 HB3 LYS 105 2HB LYS 105 -8.920 -6.855 -6.185 884 HG2 LYS 105 1HG LYS 105 -10.098 -7.497 -8.073 885 HG3 LYS 105 2HG LYS 105 -10.078 -8.974 -7.120 886 HD2 LYS 105 1HD LYS 105 -12.422 -7.024 -7.049 887 HD3 LYS 105 2HD LYS 105 -12.283 -8.270 -8.293 888 HE2 LYS 105 1HE LYS 105 -12.552 -8.721 -5.297 889 HE3 LYS 105 2HE LYS 105 -13.762 -9.049 -6.533 890 HZ1 LYS 105 1HZ LYS 105 -12.189 -10.716 -7.448 891 HZ2 LYS 105 2HZ LYS 105 -12.727 -11.076 -5.928 892 HZ3 LYS 105 3HZ LYS 105 -11.202 -10.477 -6.142 893 H GLU 106 H GLU 106 -7.401 -8.081 -4.354 894 HA GLU 106 HA GLU 106 -7.087 -10.732 -5.415 895 HB2 GLU 106 1HB GLU 106 -5.401 -8.684 -4.142 896 HB3 GLU 106 2HB GLU 106 -4.932 -10.328 -3.710 897 HG2 GLU 106 1HG GLU 106 -4.781 -10.928 -6.087 898 HG3 GLU 106 2HG GLU 106 -5.282 -9.288 -6.534 899 H LEU 107 H LEU 107 -7.124 -9.473 -2.019 900 HA LEU 107 HA LEU 107 -6.805 -12.001 -0.781 901 HB2 LEU 107 1HB LEU 107 -6.662 -9.802 0.356 902 HB3 LEU 107 2HB LEU 107 -8.401 -9.601 0.165 903 HG LEU 107 HG LEU 107 -8.763 -11.606 1.613 904 HD11 LEU 107 1HD1 LEU 107 -5.748 -11.402 2.050 905 HD12 LEU 107 2HD1 LEU 107 -6.626 -12.772 1.325 906 HD13 LEU 107 3HD1 LEU 107 -6.866 -12.376 3.034 907 HD21 LEU 107 1HD2 LEU 107 -7.103 -9.371 2.836 908 HD22 LEU 107 2HD2 LEU 107 -8.253 -10.431 3.688 909 HD23 LEU 107 3HD2 LEU 107 -8.843 -9.291 2.463 910 H GLU 108 H GLU 108 -9.767 -10.307 -1.803 911 HA GLU 108 HA GLU 108 -11.650 -12.180 -0.808 912 HB2 GLU 108 1HB GLU 108 -12.186 -9.935 -1.718 913 HB3 GLU 108 2HB GLU 108 -11.756 -10.482 -3.335 914 HG2 GLU 108 1HG GLU 108 -13.767 -12.190 -2.068 915 HG3 GLU 108 2HG GLU 108 -14.278 -10.502 -2.195 916 H SER 109 H SER 109 -9.909 -12.050 -3.959 917 HA SER 109 HA SER 109 -11.168 -14.409 -4.991 918 HB2 SER 109 1HB SER 109 -9.526 -14.336 -6.740 919 HB3 SER 109 2HB SER 109 -10.035 -12.679 -6.370 920 HG SER 109 HG SER 109 -8.028 -12.852 -4.864 921 H HIS 110 H HIS 110 -8.363 -13.976 -2.869 922 HA HIS 110 HA HIS 110 -7.402 -16.711 -3.265 923 HB2 HIS 110 1HB HIS 110 -6.908 -14.901 -0.868 924 HB3 HIS 110 2HB HIS 110 -5.943 -16.285 -1.378 925 HD1 HIS 110 HD1 HIS 110 -5.553 -15.473 -4.448 926 HD2 HIS 110 HD2 HIS 110 -5.080 -12.954 -1.146 927 HE1 HIS 110 HE1 HIS 110 -4.098 -13.562 -5.179 928 H SER 111 H SER 111 -10.001 -15.222 -1.528 929 HA SER 111 HA SER 111 -10.069 -17.494 0.422 930 HB2 SER 111 1HB SER 111 -11.456 -15.897 1.767 931 HB3 SER 111 2HB SER 111 -9.795 -15.338 1.446 932 HG SER 111 HG SER 111 -10.516 -13.912 -0.024 933 H SER 112 H SER 112 -12.111 -15.947 -2.045 934 HA SER 112 HA SER 112 -14.567 -16.483 -0.804 935 HB2 SER 112 1HB SER 112 -13.925 -16.136 -3.740 936 HB3 SER 112 2HB SER 112 -15.556 -16.081 -3.036 937 HG SER 112 HG SER 112 -13.362 -14.354 -2.495 938 H TRP 113 H TRP 113 -13.189 -18.646 -3.420 939 HA TRP 113 HA TRP 113 -15.299 -20.554 -2.566 940 HB2 TRP 113 1HB TRP 113 -15.028 -19.341 -5.319 941 HB3 TRP 113 2HB TRP 113 -15.857 -20.875 -5.036 942 HD1 TRP 113 HD1 TRP 113 -16.500 -17.221 -5.014 943 HE1 TRP 113 HE1 TRP 113 -18.790 -16.655 -4.070 944 HE3 TRP 113 HE3 TRP 113 -17.567 -21.791 -2.989 945 HZ2 TRP 113 HZ2 TRP 113 -20.848 -18.012 -2.626 946 HZ3 TRP 113 HZ3 TRP 113 -19.757 -22.106 -1.816 947 HH2 TRP 113 HH2 TRP 113 -21.379 -20.217 -1.645 948 H TYR 114 H TYR 114 -14.609 -22.448 -2.290 949 HA TYR 114 HA TYR 114 -13.532 -24.441 -2.544 950 HB2 TYR 114 1HB TYR 114 -13.775 -23.859 -5.506 951 HB3 TYR 114 2HB TYR 114 -13.792 -25.438 -4.703 952 HD1 TYR 114 HD1 TYR 114 -15.748 -25.610 -2.778 953 HD2 TYR 114 HD2 TYR 114 -15.826 -23.020 -6.219 954 HE1 TYR 114 HE1 TYR 114 -18.235 -25.457 -2.616 955 HE2 TYR 114 HE2 TYR 114 -18.314 -22.891 -6.055 956 HH TYR 114 HH TYR 114 -20.150 -24.565 -3.500 957 H ALA 115 H ALA 115 -12.024 -25.030 -5.178 958 HA ALA 115 HA ALA 115 -9.622 -23.477 -5.248 959 HB1 ALA 115 1HB ALA 115 -9.095 -24.726 -3.151 960 HB2 ALA 115 2HB ALA 115 -9.483 -26.255 -3.991 961 HB3 ALA 115 3HB ALA 115 -8.100 -25.282 -4.513 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 7.064 40.017 2.848 2 H2 GLY 1 2H GLY 1 7.858 40.436 4.231 3 H3 GLY 1 3H GLY 1 6.597 41.356 3.692 4 HA2 GLY 1 1HA GLY 1 5.899 40.027 5.553 5 HA3 GLY 1 2HA GLY 1 5.050 39.566 4.063 6 H SER 2 H SER 2 4.823 37.545 5.635 7 HA SER 2 HA SER 2 7.150 35.853 5.876 8 HB2 SER 2 1HB SER 2 5.130 35.642 7.320 9 HB3 SER 2 2HB SER 2 4.184 35.143 5.902 10 HG SER 2 HG SER 2 4.916 33.345 7.075 11 HA PRO 3 HA PRO 3 6.917 34.602 1.617 12 HB2 PRO 3 1HB PRO 3 8.730 32.589 1.511 13 HB3 PRO 3 2HB PRO 3 9.242 34.283 1.805 14 HG2 PRO 3 1HG PRO 3 8.735 32.089 3.790 15 HG3 PRO 3 2HG PRO 3 10.179 33.136 3.621 16 HD2 PRO 3 1HD PRO 3 8.203 33.676 5.410 17 HD3 PRO 3 2HD PRO 3 9.085 34.988 4.552 18 H GLU 4 H GLU 4 6.365 32.662 0.270 19 HA GLU 4 HA GLU 4 4.099 31.327 1.277 20 HB2 GLU 4 1HB GLU 4 5.931 30.709 -1.056 21 HB3 GLU 4 2HB GLU 4 4.447 29.804 -0.729 22 HG2 GLU 4 1HG GLU 4 4.624 32.779 -1.276 23 HG3 GLU 4 2HG GLU 4 4.073 31.536 -2.415 24 H PHE 5 H PHE 5 7.494 30.275 1.196 25 HA PHE 5 HA PHE 5 7.109 27.557 1.776 26 HB2 PHE 5 1HB PHE 5 9.322 29.374 2.786 27 HB3 PHE 5 2HB PHE 5 9.382 27.609 2.696 28 HD1 PHE 5 HD1 PHE 5 9.940 30.710 0.926 29 HD2 PHE 5 HD2 PHE 5 9.218 26.501 0.392 30 HE1 PHE 5 HE1 PHE 5 10.800 30.864 -1.407 31 HE2 PHE 5 HE2 PHE 5 10.078 26.644 -1.940 32 HZ PHE 5 HZ PHE 5 10.871 28.828 -2.847 33 H ASN 6 H ASN 6 7.168 30.353 3.981 34 HA ASN 6 HA ASN 6 6.842 28.600 6.316 35 HB2 ASN 6 1HB ASN 6 6.816 31.623 5.983 36 HB3 ASN 6 2HB ASN 6 6.582 30.793 7.528 37 HD21 ASN 6 1HD2 ASN 6 9.975 30.605 8.139 38 HD22 ASN 6 2HD2 ASN 6 8.336 30.697 8.734 39 H ARG 7 H ARG 7 4.886 30.729 4.233 40 HA ARG 7 HA ARG 7 2.537 30.864 5.800 41 HB2 ARG 7 1HB ARG 7 2.951 32.148 3.697 42 HB3 ARG 7 2HB ARG 7 2.804 30.648 2.781 43 HG2 ARG 7 1HG ARG 7 0.435 30.444 3.691 44 HG3 ARG 7 2HG ARG 7 0.605 32.122 4.248 45 HD2 ARG 7 1HD ARG 7 1.045 32.855 1.959 46 HD3 ARG 7 2HD ARG 7 1.104 31.178 1.409 47 HE ARG 7 HE ARG 7 -1.219 30.995 1.536 48 HH11 ARG 7 1HH1 ARG 7 -0.203 34.235 2.491 49 HH12 ARG 7 2HH1 ARG 7 -1.818 34.880 2.363 50 HH21 ARG 7 1HH2 ARG 7 -3.242 31.887 1.376 51 HH22 ARG 7 2HH2 ARG 7 -3.504 33.573 1.727 52 H TYR 8 H TYR 8 3.484 28.359 3.378 53 HA TYR 8 HA TYR 8 1.040 26.878 4.174 54 HB2 TYR 8 1HB TYR 8 1.505 25.440 2.269 55 HB3 TYR 8 2HB TYR 8 1.321 27.123 1.824 56 HD1 TYR 8 HD1 TYR 8 2.605 27.684 -0.017 57 HD2 TYR 8 HD2 TYR 8 4.295 24.966 2.871 58 HE1 TYR 8 HE1 TYR 8 4.699 27.533 -1.358 59 HE2 TYR 8 HE2 TYR 8 6.384 24.855 1.533 60 HH TYR 8 HH TYR 8 6.779 26.611 -1.538 61 H SER 9 H SER 9 4.009 27.044 5.501 62 HA SER 9 HA SER 9 5.075 24.464 5.429 63 HB2 SER 9 1HB SER 9 6.137 24.998 7.585 64 HB3 SER 9 2HB SER 9 6.228 26.363 6.458 65 HG SER 9 HG SER 9 4.750 27.460 7.612 66 H LYS 10 H LYS 10 2.469 25.628 7.573 67 HA LYS 10 HA LYS 10 2.493 23.318 9.229 68 HB2 LYS 10 1HB LYS 10 0.556 24.127 10.238 69 HB3 LYS 10 2HB LYS 10 1.468 25.552 9.767 70 HG2 LYS 10 1HG LYS 10 -0.994 24.468 8.333 71 HG3 LYS 10 2HG LYS 10 -0.978 25.810 9.470 72 HD2 LYS 10 1HD LYS 10 0.532 27.073 7.888 73 HD3 LYS 10 2HD LYS 10 0.324 25.749 6.722 74 HE2 LYS 10 1HE LYS 10 -2.234 26.132 7.091 75 HE3 LYS 10 2HE LYS 10 -1.741 27.698 7.758 76 HZ1 LYS 10 1HZ LYS 10 -2.182 27.976 5.451 77 HZ2 LYS 10 2HZ LYS 10 -1.262 26.688 5.001 78 HZ3 LYS 10 3HZ LYS 10 -0.538 28.052 5.603 79 H GLU 11 H GLU 11 0.677 23.937 6.212 80 HA GLU 11 HA GLU 11 -0.742 21.382 6.523 81 HB2 GLU 11 1HB GLU 11 -0.666 23.379 4.257 82 HB3 GLU 11 2HB GLU 11 -1.693 21.941 4.311 83 HG2 GLU 11 1HG GLU 11 -1.809 24.336 6.139 84 HG3 GLU 11 2HG GLU 11 -2.982 23.899 4.897 85 H HIS 12 H HIS 12 2.083 22.708 4.888 86 HA HIS 12 HA HIS 12 2.527 20.554 3.050 87 HB2 HIS 12 1HB HIS 12 3.816 22.651 2.966 88 HB3 HIS 12 2HB HIS 12 4.471 22.336 4.573 89 HD1 HIS 12 HD1 HIS 12 6.868 22.539 3.331 90 HD2 HIS 12 HD2 HIS 12 4.555 19.207 2.360 91 HE1 HIS 12 HE1 HIS 12 8.410 20.866 2.231 92 H MET 13 H MET 13 3.658 21.167 6.414 93 HA MET 13 HA MET 13 4.911 18.639 6.741 94 HB2 MET 13 1HB MET 13 5.157 20.620 8.262 95 HB3 MET 13 2HB MET 13 3.515 20.327 8.849 96 HG2 MET 13 1HG MET 13 4.246 18.059 9.619 97 HG3 MET 13 2HG MET 13 5.897 18.466 9.119 98 HE1 MET 13 1HE MET 13 3.176 18.670 11.826 99 HE2 MET 13 2HE MET 13 3.575 20.131 12.758 100 HE3 MET 13 3HE MET 13 2.900 20.281 11.119 101 H LYS 14 H LYS 14 1.535 19.705 7.381 102 HA LYS 14 HA LYS 14 0.695 17.278 8.596 103 HB2 LYS 14 1HB LYS 14 -0.521 19.467 8.577 104 HB3 LYS 14 2HB LYS 14 -0.966 19.164 6.895 105 HG2 LYS 14 1HG LYS 14 -2.085 17.021 7.691 106 HG3 LYS 14 2HG LYS 14 -1.833 17.600 9.348 107 HD2 LYS 14 1HD LYS 14 -3.315 19.119 7.165 108 HD3 LYS 14 2HD LYS 14 -4.103 18.129 8.406 109 HE2 LYS 14 1HE LYS 14 -3.246 19.592 10.179 110 HE3 LYS 14 2HE LYS 14 -2.332 20.542 8.985 111 HZ1 LYS 14 1HZ LYS 14 -5.275 20.296 9.022 112 HZ2 LYS 14 2HZ LYS 14 -4.378 21.174 7.939 113 HZ3 LYS 14 3HZ LYS 14 -4.409 21.612 9.525 114 H LYS 15 H LYS 15 0.414 18.259 5.108 115 HA LYS 15 HA LYS 15 -0.864 15.761 4.425 116 HB2 LYS 15 1HB LYS 15 -0.941 17.936 3.097 117 HB3 LYS 15 2HB LYS 15 0.685 17.543 2.510 118 HG2 LYS 15 1HG LYS 15 -0.170 15.438 1.554 119 HG3 LYS 15 2HG LYS 15 -1.779 15.783 2.210 120 HD2 LYS 15 1HD LYS 15 -1.709 17.934 0.807 121 HD3 LYS 15 2HD LYS 15 -0.320 17.211 -0.031 122 HE2 LYS 15 1HE LYS 15 -3.101 15.970 0.238 123 HE3 LYS 15 2HE LYS 15 -2.505 16.802 -1.191 124 HZ1 LYS 15 1HZ LYS 15 -2.387 14.414 -1.410 125 HZ2 LYS 15 2HZ LYS 15 -1.361 14.286 -0.108 126 HZ3 LYS 15 3HZ LYS 15 -0.871 15.066 -1.479 127 H MET 16 H MET 16 2.512 16.935 4.219 128 HA MET 16 HA MET 16 3.583 14.630 2.969 129 HB2 MET 16 1HB MET 16 4.832 16.729 3.247 130 HB3 MET 16 2HB MET 16 4.848 16.503 5.002 131 HG2 MET 16 1HG MET 16 6.218 14.500 4.766 132 HG3 MET 16 2HG MET 16 6.124 14.625 3.008 133 HE1 MET 16 1HE MET 16 6.795 17.407 5.859 134 HE2 MET 16 2HE MET 16 7.700 15.940 6.306 135 HE3 MET 16 3HE MET 16 8.571 17.406 5.798 136 H MET 17 H MET 17 3.043 15.366 6.454 137 HA MET 17 HA MET 17 4.236 12.926 7.372 138 HB2 MET 17 1HB MET 17 3.772 14.907 8.793 139 HB3 MET 17 2HB MET 17 2.038 14.604 8.645 140 HG2 MET 17 1HG MET 17 2.312 12.442 9.788 141 HG3 MET 17 2HG MET 17 4.057 12.730 9.924 142 HE1 MET 17 1HE MET 17 5.195 14.339 11.614 143 HE2 MET 17 2HE MET 17 4.478 15.739 10.780 144 HE3 MET 17 3HE MET 17 4.348 15.595 12.547 145 H LYS 18 H LYS 18 0.825 13.826 6.640 146 HA LYS 18 HA LYS 18 -0.300 11.315 7.373 147 HB2 LYS 18 1HB LYS 18 -1.537 13.461 6.928 148 HB3 LYS 18 2HB LYS 18 -1.230 13.248 5.208 149 HG2 LYS 18 1HG LYS 18 -2.424 10.819 6.044 150 HG3 LYS 18 2HG LYS 18 -3.312 12.093 6.892 151 HD2 LYS 18 1HD LYS 18 -4.474 11.794 4.838 152 HD3 LYS 18 2HD LYS 18 -3.513 13.269 4.604 153 HE2 LYS 18 1HE LYS 18 -1.759 11.891 3.482 154 HE3 LYS 18 2HE LYS 18 -2.780 10.464 3.662 155 HZ1 LYS 18 1HZ LYS 18 -4.371 11.469 2.174 156 HZ2 LYS 18 2HZ LYS 18 -2.877 11.474 1.460 157 HZ3 LYS 18 3HZ LYS 18 -3.496 12.867 2.085 158 H ASP 19 H ASP 19 0.903 12.465 4.159 159 HA ASP 19 HA ASP 19 0.121 9.941 2.937 160 HB2 ASP 19 1HB ASP 19 1.657 12.355 2.013 161 HB3 ASP 19 2HB ASP 19 1.616 10.876 1.038 162 H LEU 20 H LEU 20 3.161 11.149 4.407 163 HA LEU 20 HA LEU 20 4.621 8.863 3.352 164 HB2 LEU 20 1HB LEU 20 5.650 11.066 4.014 165 HB3 LEU 20 2HB LEU 20 5.407 10.605 5.699 166 HG LEU 20 HG LEU 20 6.905 8.681 5.413 167 HD11 LEU 20 1HD1 LEU 20 7.080 9.590 2.502 168 HD12 LEU 20 2HD1 LEU 20 6.544 8.027 3.109 169 HD13 LEU 20 3HD1 LEU 20 8.245 8.480 3.257 170 HD21 LEU 20 1HD2 LEU 20 8.096 11.258 4.322 171 HD22 LEU 20 2HD2 LEU 20 8.996 9.919 5.071 172 HD23 LEU 20 3HD2 LEU 20 7.847 10.864 6.039 173 H GLU 21 H GLU 21 2.768 9.562 6.302 174 HA GLU 21 HA GLU 21 3.523 7.169 7.728 175 HB2 GLU 21 1HB GLU 21 2.230 9.072 8.725 176 HB3 GLU 21 2HB GLU 21 0.857 8.645 7.694 177 HG2 GLU 21 1HG GLU 21 0.721 6.439 8.800 178 HG3 GLU 21 2HG GLU 21 2.089 6.882 9.835 179 H GLY 22 H GLY 22 1.178 8.031 5.200 180 HA2 GLY 22 1HA GLY 22 -0.081 5.493 4.959 181 HA3 GLY 22 2HA GLY 22 0.057 6.716 3.681 182 H LEU 23 H LEU 23 2.926 6.813 3.484 183 HA LEU 23 HA LEU 23 3.402 4.545 1.794 184 HB2 LEU 23 1HB LEU 23 4.509 6.943 2.011 185 HB3 LEU 23 2HB LEU 23 5.664 6.081 3.022 186 HG LEU 23 HG LEU 23 4.995 5.290 0.170 187 HD11 LEU 23 1HD1 LEU 23 5.924 7.601 0.334 188 HD12 LEU 23 2HD1 LEU 23 6.964 6.465 -0.544 189 HD13 LEU 23 3HD1 LEU 23 7.368 6.923 1.125 190 HD21 LEU 23 1HD2 LEU 23 7.287 4.201 0.319 191 HD22 LEU 23 2HD2 LEU 23 6.046 3.456 1.336 192 HD23 LEU 23 3HD2 LEU 23 7.261 4.529 2.067 193 H HIS 24 H HIS 24 4.353 5.286 5.186 194 HA HIS 24 HA HIS 24 5.878 2.858 5.522 195 HB2 HIS 24 1HB HIS 24 6.031 4.741 7.107 196 HB3 HIS 24 2HB HIS 24 4.350 4.478 7.595 197 HD1 HIS 24 HD1 HIS 24 7.295 1.992 7.190 198 HD2 HIS 24 HD2 HIS 24 4.456 3.255 10.034 199 HE1 HIS 24 HE1 HIS 24 7.606 0.543 9.267 200 H ARG 25 H ARG 25 2.429 3.673 5.761 201 HA ARG 25 HA ARG 25 1.647 1.048 6.723 202 HB2 ARG 25 1HB ARG 25 0.237 3.429 5.574 203 HB3 ARG 25 2HB ARG 25 -0.571 1.876 5.522 204 HG2 ARG 25 1HG ARG 25 0.241 1.884 8.114 205 HG3 ARG 25 2HG ARG 25 0.063 3.628 7.850 206 HD2 ARG 25 1HD ARG 25 -2.037 2.622 8.711 207 HD3 ARG 25 2HD ARG 25 -2.264 3.269 7.073 208 HE ARG 25 HE ARG 25 -2.590 1.123 6.254 209 HH11 ARG 25 1HH1 ARG 25 -1.406 0.837 9.566 210 HH12 ARG 25 2HH1 ARG 25 -1.634 -0.887 9.588 211 HH21 ARG 25 1HH2 ARG 25 -2.854 -1.071 6.365 212 HH22 ARG 25 2HH2 ARG 25 -2.423 -1.961 7.796 213 H ALA 26 H ALA 26 2.544 2.305 3.565 214 HA ALA 26 HA ALA 26 1.308 0.106 2.118 215 HB1 ALA 26 1HB ALA 26 3.575 1.929 1.215 216 HB2 ALA 26 2HB ALA 26 2.534 0.912 0.196 217 HB3 ALA 26 3HB ALA 26 1.840 2.303 1.052 218 H GLU 27 H GLU 27 4.451 0.721 3.735 219 HA GLU 27 HA GLU 27 5.713 -1.707 2.758 220 HB2 GLU 27 1HB GLU 27 6.105 -0.252 5.397 221 HB3 GLU 27 2HB GLU 27 7.173 -1.495 4.748 222 HG2 GLU 27 1HG GLU 27 7.756 -0.048 2.861 223 HG3 GLU 27 2HG GLU 27 6.620 1.184 3.430 224 H GLN 28 H GLN 28 3.780 -0.777 5.581 225 HA GLN 28 HA GLN 28 3.600 -3.378 6.718 226 HB2 GLN 28 1HB GLN 28 2.847 -1.094 7.745 227 HB3 GLN 28 2HB GLN 28 1.317 -1.421 6.905 228 HG2 GLN 28 1HG GLN 28 1.371 -3.722 8.023 229 HG3 GLN 28 2HG GLN 28 2.688 -3.113 9.021 230 HE21 GLN 28 1HE2 GLN 28 -0.946 -2.680 10.317 231 HE22 GLN 28 2HE2 GLN 28 -0.365 -3.887 9.181 232 H SER 29 H SER 29 1.903 -1.823 3.972 233 HA SER 29 HA SER 29 -0.093 -3.882 3.862 234 HB2 SER 29 1HB SER 29 -0.857 -2.980 1.883 235 HB3 SER 29 2HB SER 29 -0.195 -1.573 2.731 236 HG SER 29 HG SER 29 1.756 -1.940 1.460 237 H LEU 30 H LEU 30 3.235 -3.660 2.539 238 HA LEU 30 HA LEU 30 3.136 -5.993 0.797 239 HB2 LEU 30 1HB LEU 30 5.403 -5.570 2.759 240 HB3 LEU 30 2HB LEU 30 5.475 -6.227 1.157 241 HG LEU 30 HG LEU 30 5.047 -3.293 1.669 242 HD11 LEU 30 1HD1 LEU 30 7.509 -3.035 1.536 243 HD12 LEU 30 2HD1 LEU 30 7.681 -4.808 1.485 244 HD13 LEU 30 3HD1 LEU 30 7.022 -4.015 2.934 245 HD21 LEU 30 1HD2 LEU 30 5.723 -2.868 -0.471 246 HD22 LEU 30 2HD2 LEU 30 4.841 -4.388 -0.680 247 HD23 LEU 30 3HD2 LEU 30 6.607 -4.402 -0.620 248 H HIS 31 H HIS 31 3.873 -5.458 4.306 249 HA HIS 31 HA HIS 31 3.903 -8.287 4.771 250 HB2 HIS 31 1HB HIS 31 3.858 -6.007 6.713 251 HB3 HIS 31 2HB HIS 31 4.136 -7.705 7.132 252 HD1 HIS 31 HD1 HIS 31 5.938 -8.238 4.430 253 HD2 HIS 31 HD2 HIS 31 6.475 -5.268 7.328 254 HE1 HIS 31 HE1 HIS 31 8.363 -7.531 4.336 255 H ASP 32 H ASP 32 1.252 -5.996 5.214 256 HA ASP 32 HA ASP 32 -0.456 -7.777 6.707 257 HB2 ASP 32 1HB ASP 32 -1.057 -5.418 4.859 258 HB3 ASP 32 2HB ASP 32 -2.308 -6.303 5.733 259 H LEU 33 H LEU 33 0.263 -7.181 3.257 260 HA LEU 33 HA LEU 33 -1.873 -8.835 2.261 261 HB2 LEU 33 1HB LEU 33 0.659 -7.721 1.108 262 HB3 LEU 33 2HB LEU 33 -0.083 -9.074 0.299 263 HG LEU 33 HG LEU 33 -1.863 -7.879 -0.480 264 HD11 LEU 33 1HD1 LEU 33 -2.613 -5.627 0.388 265 HD12 LEU 33 2HD1 LEU 33 -1.502 -5.827 1.745 266 HD13 LEU 33 3HD1 LEU 33 -2.849 -6.956 1.534 267 HD21 LEU 33 1HD2 LEU 33 -1.002 -5.812 -1.439 268 HD22 LEU 33 2HD2 LEU 33 0.286 -7.032 -1.398 269 HD23 LEU 33 3HD2 LEU 33 0.264 -5.725 -0.198 270 H GLN 34 H GLN 34 1.678 -9.559 2.882 271 HA GLN 34 HA GLN 34 1.129 -12.321 2.198 272 HB2 GLN 34 1HB GLN 34 3.195 -12.831 3.698 273 HB3 GLN 34 2HB GLN 34 3.363 -12.169 2.097 274 HG2 GLN 34 1HG GLN 34 3.186 -10.163 4.255 275 HG3 GLN 34 2HG GLN 34 4.558 -11.247 4.386 276 HE21 GLN 34 1HE2 GLN 34 4.690 -9.520 0.719 277 HE22 GLN 34 2HE2 GLN 34 3.412 -10.628 1.153 278 H GLU 35 H GLU 35 0.850 -10.602 5.347 279 HA GLU 35 HA GLU 35 0.551 -13.056 6.833 280 HB2 GLU 35 1HB GLU 35 1.037 -10.824 7.854 281 HB3 GLU 35 2HB GLU 35 -0.629 -10.335 7.498 282 HG2 GLU 35 1HG GLU 35 -1.444 -12.235 8.881 283 HG3 GLU 35 2HG GLU 35 0.229 -12.649 9.276 284 H ARG 36 H ARG 36 -1.868 -10.821 5.333 285 HA ARG 36 HA ARG 36 -4.116 -12.419 6.186 286 HB2 ARG 36 1HB ARG 36 -4.332 -10.059 5.413 287 HB3 ARG 36 2HB ARG 36 -3.926 -10.581 3.769 288 HG2 ARG 36 1HG ARG 36 -5.926 -11.973 3.664 289 HG3 ARG 36 2HG ARG 36 -6.313 -11.623 5.355 290 HD2 ARG 36 1HD ARG 36 -6.794 -9.313 4.834 291 HD3 ARG 36 2HD ARG 36 -6.167 -9.510 3.188 292 HE ARG 36 HE ARG 36 -8.280 -11.389 3.717 293 HH11 ARG 36 1HH1 ARG 36 -7.776 -7.995 2.858 294 HH12 ARG 36 2HH1 ARG 36 -9.322 -7.884 2.058 295 HH21 ARG 36 1HH2 ARG 36 -10.229 -11.151 2.697 296 HH22 ARG 36 2HH2 ARG 36 -10.675 -9.630 1.970 297 H LEU 37 H LEU 37 -1.945 -12.518 3.360 298 HA LEU 37 HA LEU 37 -3.414 -14.500 1.907 299 HB2 LEU 37 1HB LEU 37 -1.582 -13.250 0.902 300 HB3 LEU 37 2HB LEU 37 -0.456 -13.878 2.092 301 HG LEU 37 HG LEU 37 -0.706 -16.137 1.180 302 HD11 LEU 37 1HD1 LEU 37 -2.998 -15.860 0.237 303 HD12 LEU 37 2HD1 LEU 37 -1.833 -16.533 -0.902 304 HD13 LEU 37 3HD1 LEU 37 -2.299 -14.827 -1.032 305 HD21 LEU 37 1HD2 LEU 37 0.120 -13.926 -0.717 306 HD22 LEU 37 2HD2 LEU 37 0.494 -15.648 -0.972 307 HD23 LEU 37 3HD2 LEU 37 1.136 -14.792 0.449 308 H HIS 38 H HIS 38 -0.827 -14.760 4.397 309 HA HIS 38 HA HIS 38 -0.626 -17.592 4.341 310 HB2 HIS 38 1HB HIS 38 0.872 -15.961 5.597 311 HB3 HIS 38 2HB HIS 38 -0.384 -15.877 6.837 312 HD1 HIS 38 HD1 HIS 38 -0.934 -18.316 8.081 313 HD2 HIS 38 HD2 HIS 38 2.567 -18.047 5.807 314 HE1 HIS 38 HE1 HIS 38 0.532 -20.246 8.751 315 H LYS 39 H LYS 39 -2.718 -15.426 6.321 316 HA LYS 39 HA LYS 39 -4.097 -17.584 7.628 317 HB2 LYS 39 1HB LYS 39 -4.930 -14.734 7.006 318 HB3 LYS 39 2HB LYS 39 -5.860 -15.831 8.040 319 HG2 LYS 39 1HG LYS 39 -4.041 -15.976 9.630 320 HG3 LYS 39 2HG LYS 39 -2.975 -15.052 8.559 321 HD2 LYS 39 1HD LYS 39 -4.496 -13.114 8.723 322 HD3 LYS 39 2HD LYS 39 -5.503 -14.020 9.876 323 HE2 LYS 39 1HE LYS 39 -3.625 -14.188 11.432 324 HE3 LYS 39 2HE LYS 39 -2.544 -13.434 10.244 325 HZ1 LYS 39 1HZ LYS 39 -4.717 -12.159 11.757 326 HZ2 LYS 39 2HZ LYS 39 -4.143 -11.491 10.360 327 HZ3 LYS 39 3HZ LYS 39 -3.126 -11.705 11.627 328 H ALA 40 H ALA 40 -4.749 -15.873 4.558 329 HA ALA 40 HA ALA 40 -7.308 -17.046 4.099 330 HB1 ALA 40 1HB ALA 40 -6.957 -16.389 1.756 331 HB2 ALA 40 2HB ALA 40 -6.449 -15.080 2.842 332 HB3 ALA 40 3HB ALA 40 -5.230 -16.119 2.065 333 H GLN 41 H GLN 41 -3.960 -18.153 3.335 334 HA GLN 41 HA GLN 41 -4.941 -20.547 2.003 335 HB2 GLN 41 1HB GLN 41 -2.321 -19.961 3.434 336 HB3 GLN 41 2HB GLN 41 -2.644 -21.439 2.524 337 HG2 GLN 41 1HG GLN 41 -2.845 -20.195 0.468 338 HG3 GLN 41 2HG GLN 41 -2.721 -18.659 1.336 339 HE21 GLN 41 1HE2 GLN 41 0.742 -18.630 1.477 340 HE22 GLN 41 2HE2 GLN 41 -0.776 -17.835 1.821 341 H GLU 42 H GLU 42 -3.561 -19.933 5.244 342 HA GLU 42 HA GLU 42 -3.708 -22.465 6.308 343 HB2 GLU 42 1HB GLU 42 -2.620 -20.383 7.153 344 HB3 GLU 42 2HB GLU 42 -4.178 -19.877 7.808 345 HG2 GLU 42 1HG GLU 42 -4.169 -21.689 9.374 346 HG3 GLU 42 2HG GLU 42 -2.790 -22.454 8.557 347 H GLU 43 H GLU 43 -6.337 -20.044 6.377 348 HA GLU 43 HA GLU 43 -8.048 -22.015 7.781 349 HB2 GLU 43 1HB GLU 43 -7.843 -19.490 8.306 350 HB3 GLU 43 2HB GLU 43 -8.780 -19.231 6.840 351 HG2 GLU 43 1HG GLU 43 -10.440 -19.200 8.426 352 HG3 GLU 43 2HG GLU 43 -10.481 -20.904 7.953 353 H HIS 44 H HIS 44 -7.965 -20.193 4.646 354 HA HIS 44 HA HIS 44 -10.520 -21.548 3.975 355 HB2 HIS 44 1HB HIS 44 -9.231 -19.201 2.589 356 HB3 HIS 44 2HB HIS 44 -10.863 -19.802 2.371 357 HD1 HIS 44 HD1 HIS 44 -12.234 -19.848 4.920 358 HD2 HIS 44 HD2 HIS 44 -9.168 -17.111 4.258 359 HE1 HIS 44 HE1 HIS 44 -12.537 -17.981 6.599 360 H ARG 45 H ARG 45 -7.313 -21.073 2.577 361 HA ARG 45 HA ARG 45 -6.251 -22.130 0.828 362 HB2 ARG 45 1HB ARG 45 -6.944 -23.814 2.794 363 HB3 ARG 45 2HB ARG 45 -7.671 -24.675 1.453 364 HG2 ARG 45 1HG ARG 45 -5.506 -24.754 0.298 365 HG3 ARG 45 2HG ARG 45 -4.773 -23.782 1.593 366 HD2 ARG 45 1HD ARG 45 -6.029 -26.530 1.918 367 HD3 ARG 45 2HD ARG 45 -4.291 -26.189 1.900 368 HE ARG 45 HE ARG 45 -6.211 -25.664 4.075 369 HH11 ARG 45 1HH1 ARG 45 -2.931 -25.050 2.907 370 HH12 ARG 45 2HH1 ARG 45 -2.360 -24.610 4.493 371 HH21 ARG 45 1HH2 ARG 45 -5.411 -25.068 6.047 372 HH22 ARG 45 2HH2 ARG 45 -3.733 -24.655 6.236 373 H THR 46 H THR 46 -8.093 -20.784 -0.532 374 HA THR 46 HA THR 46 -10.008 -22.331 -1.943 375 HB THR 46 HB THR 46 -10.042 -20.459 -3.583 376 HG1 THR 46 HG1 THR 46 -8.666 -18.653 -3.019 377 HG21 THR 46 1HG2 THR 46 -9.921 -19.542 -0.697 378 HG22 THR 46 2HG2 THR 46 -11.306 -20.361 -1.462 379 HG23 THR 46 3HG2 THR 46 -10.790 -18.770 -2.038 380 H VAL 47 H VAL 47 -10.084 -22.624 -4.304 381 HA VAL 47 HA VAL 47 -8.092 -24.462 -5.133 382 HB VAL 47 HB VAL 47 -9.241 -24.400 -7.342 383 HG11 VAL 47 1HG1 VAL 47 -11.215 -24.352 -5.019 384 HG12 VAL 47 2HG1 VAL 47 -11.417 -25.177 -6.580 385 HG13 VAL 47 3HG1 VAL 47 -10.167 -25.724 -5.445 386 HG21 VAL 47 1HG2 VAL 47 -11.177 -22.911 -7.714 387 HG22 VAL 47 2HG2 VAL 47 -10.906 -22.118 -6.149 388 HG23 VAL 47 3HG2 VAL 47 -9.710 -21.951 -7.455 389 H GLU 48 H GLU 48 -7.875 -21.092 -5.097 390 HA GLU 48 HA GLU 48 -6.320 -20.727 -7.509 391 HB2 GLU 48 1HB GLU 48 -6.500 -19.083 -4.956 392 HB3 GLU 48 2HB GLU 48 -5.695 -18.577 -6.447 393 HG2 GLU 48 1HG GLU 48 -7.931 -18.916 -7.605 394 HG3 GLU 48 2HG GLU 48 -8.639 -19.001 -5.978 395 H VAL 49 H VAL 49 -5.659 -22.471 -4.754 396 HA VAL 49 HA VAL 49 -3.207 -21.717 -3.790 397 HB VAL 49 HB VAL 49 -4.629 -23.582 -2.963 398 HG11 VAL 49 1HG1 VAL 49 -3.317 -25.261 -5.141 399 HG12 VAL 49 2HG1 VAL 49 -4.432 -25.827 -3.878 400 HG13 VAL 49 3HG1 VAL 49 -5.017 -24.727 -5.139 401 HG21 VAL 49 1HG2 VAL 49 -1.714 -24.357 -3.370 402 HG22 VAL 49 2HG2 VAL 49 -2.328 -23.248 -2.122 403 HG23 VAL 49 3HG2 VAL 49 -2.809 -24.959 -2.103 404 H GLU 50 H GLU 50 -3.690 -23.203 -6.953 405 HA GLU 50 HA GLU 50 -1.014 -23.973 -7.510 406 HB2 GLU 50 1HB GLU 50 -1.760 -23.433 -9.927 407 HB3 GLU 50 2HB GLU 50 -2.633 -24.691 -9.040 408 HG2 GLU 50 1HG GLU 50 -4.511 -23.279 -8.658 409 HG3 GLU 50 2HG GLU 50 -3.613 -21.826 -9.109 410 H LYS 51 H LYS 51 -2.429 -20.764 -7.351 411 HA LYS 51 HA LYS 51 0.208 -19.607 -8.168 412 HB2 LYS 51 1HB LYS 51 -0.878 -17.931 -9.532 413 HB3 LYS 51 2HB LYS 51 -1.380 -19.530 -10.090 414 HG2 LYS 51 1HG LYS 51 -3.313 -18.792 -8.173 415 HG3 LYS 51 2HG LYS 51 -3.003 -17.314 -9.088 416 HD2 LYS 51 1HD LYS 51 -3.603 -18.365 -11.149 417 HD3 LYS 51 2HD LYS 51 -3.542 -19.978 -10.413 418 HE2 LYS 51 1HE LYS 51 -5.421 -19.295 -8.893 419 HE3 LYS 51 2HE LYS 51 -5.570 -17.789 -9.821 420 HZ1 LYS 51 1HZ LYS 51 -7.086 -19.574 -10.561 421 HZ2 LYS 51 2HZ LYS 51 -5.791 -20.518 -10.983 422 HZ3 LYS 51 3HZ LYS 51 -6.072 -19.093 -11.769 423 H VAL 52 H VAL 52 -1.867 -19.955 -5.701 424 HA VAL 52 HA VAL 52 -2.453 -17.259 -4.948 425 HB VAL 52 HB VAL 52 -3.439 -19.612 -4.148 426 HG11 VAL 52 1HG1 VAL 52 -2.781 -20.279 -1.919 427 HG12 VAL 52 2HG1 VAL 52 -1.342 -20.307 -2.960 428 HG13 VAL 52 3HG1 VAL 52 -1.596 -18.962 -1.816 429 HG21 VAL 52 1HG2 VAL 52 -4.488 -18.473 -2.229 430 HG22 VAL 52 2HG2 VAL 52 -3.346 -17.127 -2.449 431 HG23 VAL 52 3HG2 VAL 52 -4.510 -17.523 -3.726 432 H HIS 53 H HIS 53 0.517 -18.939 -4.856 433 HA HIS 53 HA HIS 53 1.607 -16.829 -3.109 434 HB2 HIS 53 1HB HIS 53 2.778 -18.546 -1.678 435 HB3 HIS 53 2HB HIS 53 1.033 -18.446 -1.493 436 HD1 HIS 53 HD1 HIS 53 0.890 -20.899 -0.565 437 HD2 HIS 53 HD2 HIS 53 2.336 -20.572 -4.466 438 HE1 HIS 53 HE1 HIS 53 0.906 -23.225 -1.556 439 H LEU 54 H LEU 54 3.921 -18.990 -2.934 440 HA LEU 54 HA LEU 54 5.991 -19.214 -3.826 441 HB2 LEU 54 1HB LEU 54 4.730 -18.680 -6.535 442 HB3 LEU 54 2HB LEU 54 6.317 -19.358 -6.238 443 HG LEU 54 HG LEU 54 3.693 -20.713 -5.601 444 HD11 LEU 54 1HD1 LEU 54 4.125 -20.491 -8.003 445 HD12 LEU 54 2HD1 LEU 54 4.268 -22.178 -7.477 446 HD13 LEU 54 3HD1 LEU 54 5.737 -21.222 -7.787 447 HD21 LEU 54 1HD2 LEU 54 5.428 -21.460 -4.044 448 HD22 LEU 54 2HD2 LEU 54 6.554 -21.733 -5.396 449 HD23 LEU 54 3HD2 LEU 54 5.089 -22.731 -5.229 450 H GLU 55 H GLU 55 7.714 -18.108 -5.149 451 HA GLU 55 HA GLU 55 8.028 -15.436 -4.281 452 HB2 GLU 55 1HB GLU 55 9.272 -16.872 -6.653 453 HB3 GLU 55 2HB GLU 55 9.878 -15.372 -5.943 454 HG2 GLU 55 1HG GLU 55 10.398 -16.517 -3.862 455 HG3 GLU 55 2HG GLU 55 9.678 -18.020 -4.476 456 H LYS 56 H LYS 56 6.549 -16.830 -7.167 457 HA LYS 56 HA LYS 56 6.536 -14.520 -8.810 458 HB2 LYS 56 1HB LYS 56 5.930 -16.855 -9.508 459 HB3 LYS 56 2HB LYS 56 4.421 -16.699 -8.602 460 HG2 LYS 56 1HG LYS 56 4.011 -14.595 -10.114 461 HG3 LYS 56 2HG LYS 56 5.244 -15.314 -11.161 462 HD2 LYS 56 1HD LYS 56 2.688 -16.688 -10.217 463 HD3 LYS 56 2HD LYS 56 2.908 -15.929 -11.802 464 HE2 LYS 56 1HE LYS 56 4.750 -17.532 -12.302 465 HE3 LYS 56 2HE LYS 56 4.476 -18.316 -10.730 466 HZ1 LYS 56 1HZ LYS 56 2.466 -18.118 -12.904 467 HZ2 LYS 56 2HZ LYS 56 2.230 -18.855 -11.447 468 HZ3 LYS 56 3HZ LYS 56 3.322 -19.475 -12.517 469 H LYS 57 H LYS 57 3.762 -15.708 -6.709 470 HA LYS 57 HA LYS 57 2.509 -13.131 -7.297 471 HB2 LYS 57 1HB LYS 57 0.683 -14.307 -7.103 472 HB3 LYS 57 2HB LYS 57 1.591 -15.690 -6.540 473 HG2 LYS 57 1HG LYS 57 0.086 -15.461 -4.894 474 HG3 LYS 57 2HG LYS 57 1.407 -14.541 -4.192 475 HD2 LYS 57 1HD LYS 57 0.279 -12.446 -4.959 476 HD3 LYS 57 2HD LYS 57 -1.031 -13.425 -5.653 477 HE2 LYS 57 1HE LYS 57 -1.532 -14.354 -3.459 478 HE3 LYS 57 2HE LYS 57 -0.175 -13.470 -2.747 479 HZ1 LYS 57 1HZ LYS 57 -2.697 -12.587 -2.834 480 HZ2 LYS 57 2HZ LYS 57 -2.050 -11.785 -4.121 481 HZ3 LYS 57 3HZ LYS 57 -1.365 -11.627 -2.614 482 H LEU 58 H LEU 58 4.462 -14.496 -4.680 483 HA LEU 58 HA LEU 58 3.807 -12.514 -2.721 484 HB2 LEU 58 1HB LEU 58 5.300 -14.493 -2.343 485 HB3 LEU 58 2HB LEU 58 6.522 -13.733 -3.357 486 HG LEU 58 HG LEU 58 6.599 -11.826 -1.694 487 HD11 LEU 58 1HD1 LEU 58 4.951 -13.780 -0.036 488 HD12 LEU 58 2HD1 LEU 58 4.435 -12.171 -0.590 489 HD13 LEU 58 3HD1 LEU 58 5.753 -12.320 0.586 490 HD21 LEU 58 1HD2 LEU 58 7.980 -13.102 -0.096 491 HD22 LEU 58 2HD2 LEU 58 8.288 -13.614 -1.768 492 HD23 LEU 58 3HD2 LEU 58 7.282 -14.623 -0.700 493 H ARG 59 H ARG 59 6.246 -12.563 -5.351 494 HA ARG 59 HA ARG 59 7.229 -9.914 -5.029 495 HB2 ARG 59 1HB ARG 59 8.318 -11.581 -6.469 496 HB3 ARG 59 2HB ARG 59 6.881 -11.674 -7.475 497 HG2 ARG 59 1HG ARG 59 7.326 -9.151 -7.966 498 HG3 ARG 59 2HG ARG 59 8.955 -9.505 -7.364 499 HD2 ARG 59 1HD ARG 59 8.980 -9.835 -9.747 500 HD3 ARG 59 2HD ARG 59 9.008 -11.447 -9.000 501 HE ARG 59 HE ARG 59 6.289 -10.590 -9.548 502 HH11 ARG 59 1HH1 ARG 59 9.132 -11.919 -11.185 503 HH12 ARG 59 2HH1 ARG 59 8.170 -12.631 -12.450 504 HH21 ARG 59 1HH2 ARG 59 5.145 -11.526 -11.139 505 HH22 ARG 59 2HH2 ARG 59 5.939 -12.419 -12.425 506 H ASP 60 H ASP 60 4.485 -11.200 -6.967 507 HA ASP 60 HA ASP 60 3.959 -8.656 -8.159 508 HB2 ASP 60 1HB ASP 60 2.221 -11.106 -7.827 509 HB3 ASP 60 2HB ASP 60 1.757 -9.682 -8.768 510 H GLU 61 H GLU 61 2.554 -10.143 -5.165 511 HA GLU 61 HA GLU 61 0.656 -7.972 -4.905 512 HB2 GLU 61 1HB GLU 61 0.095 -8.836 -2.772 513 HB3 GLU 61 2HB GLU 61 0.383 -10.216 -3.827 514 HG2 GLU 61 1HG GLU 61 2.622 -10.502 -2.797 515 HG3 GLU 61 2HG GLU 61 2.294 -9.144 -1.720 516 H ILE 62 H ILE 62 3.943 -8.559 -3.452 517 HA ILE 62 HA ILE 62 3.782 -6.039 -2.088 518 HB ILE 62 HB ILE 62 6.057 -6.267 -1.501 519 HG12 ILE 62 1HG1 ILE 62 6.345 -8.506 -3.495 520 HG13 ILE 62 2HG1 ILE 62 6.975 -6.881 -3.700 521 HG21 ILE 62 1HG2 ILE 62 5.958 -8.298 -0.266 522 HG22 ILE 62 2HG2 ILE 62 4.278 -7.775 -0.480 523 HG23 ILE 62 3HG2 ILE 62 4.932 -9.083 -1.486 524 HD11 ILE 62 1HD1 ILE 62 8.264 -7.216 -1.541 525 HD12 ILE 62 2HD1 ILE 62 7.774 -8.924 -1.610 526 HD13 ILE 62 3HD1 ILE 62 8.779 -8.242 -2.910 527 H ASN 63 H ASN 63 4.462 -6.847 -5.416 528 HA ASN 63 HA ASN 63 5.814 -4.297 -5.935 529 HB2 ASN 63 1HB ASN 63 4.634 -6.443 -7.702 530 HB3 ASN 63 2HB ASN 63 5.082 -4.866 -8.361 531 HD21 ASN 63 1HD2 ASN 63 7.997 -6.924 -8.930 532 HD22 ASN 63 2HD2 ASN 63 6.352 -6.782 -9.499 533 H LEU 64 H LEU 64 2.497 -5.553 -5.921 534 HA LEU 64 HA LEU 64 1.310 -3.185 -7.083 535 HB2 LEU 64 1HB LEU 64 0.161 -5.358 -6.889 536 HB3 LEU 64 2HB LEU 64 0.215 -5.257 -5.147 537 HG LEU 64 HG LEU 64 -1.984 -4.852 -6.271 538 HD11 LEU 64 1HD1 LEU 64 -2.738 -3.315 -4.639 539 HD12 LEU 64 2HD1 LEU 64 -1.132 -2.596 -4.450 540 HD13 LEU 64 3HD1 LEU 64 -1.436 -4.259 -3.898 541 HD21 LEU 64 1HD2 LEU 64 -1.179 -3.335 -8.073 542 HD22 LEU 64 2HD2 LEU 64 -0.878 -2.085 -6.840 543 HD23 LEU 64 3HD2 LEU 64 -2.530 -2.665 -7.132 544 H ALA 65 H ALA 65 2.048 -4.285 -3.729 545 HA ALA 65 HA ALA 65 1.135 -1.877 -2.473 546 HB1 ALA 65 1HB ALA 65 1.506 -3.739 -1.103 547 HB2 ALA 65 2HB ALA 65 3.147 -3.981 -1.727 548 HB3 ALA 65 3HB ALA 65 2.795 -2.594 -0.671 549 H LYS 66 H LYS 66 4.275 -2.663 -4.037 550 HA LYS 66 HA LYS 66 5.578 -0.212 -3.203 551 HB2 LYS 66 1HB LYS 66 6.057 -2.114 -5.496 552 HB3 LYS 66 2HB LYS 66 7.018 -0.651 -5.277 553 HG2 LYS 66 1HG LYS 66 7.951 -1.414 -3.244 554 HG3 LYS 66 2HG LYS 66 6.724 -2.673 -3.064 555 HD2 LYS 66 1HD LYS 66 7.674 -3.518 -5.367 556 HD3 LYS 66 2HD LYS 66 9.114 -2.610 -4.881 557 HE2 LYS 66 1HE LYS 66 9.318 -3.921 -2.858 558 HE3 LYS 66 2HE LYS 66 7.719 -4.659 -3.124 559 HZ1 LYS 66 1HZ LYS 66 10.101 -5.037 -4.838 560 HZ2 LYS 66 2HZ LYS 66 8.599 -5.635 -5.178 561 HZ3 LYS 66 3HZ LYS 66 9.420 -6.165 -3.844 562 H GLN 67 H GLN 67 3.330 -1.016 -5.831 563 HA GLN 67 HA GLN 67 3.780 1.426 -7.297 564 HB2 GLN 67 1HB GLN 67 2.516 -0.643 -8.128 565 HB3 GLN 67 2HB GLN 67 1.166 -0.122 -7.118 566 HG2 GLN 67 1HG GLN 67 0.745 0.623 -9.353 567 HG3 GLN 67 2HG GLN 67 1.123 2.046 -8.372 568 HE21 GLN 67 1HE2 GLN 67 3.325 3.021 -10.898 569 HE22 GLN 67 2HE2 GLN 67 1.909 3.379 -9.948 570 H GLU 68 H GLU 68 1.297 0.389 -4.848 571 HA GLU 68 HA GLU 68 0.164 2.894 -4.312 572 HB2 GLU 68 1HB GLU 68 -0.360 0.588 -3.337 573 HB3 GLU 68 2HB GLU 68 0.947 0.866 -2.195 574 HG2 GLU 68 1HG GLU 68 -0.212 2.905 -1.416 575 HG3 GLU 68 2HG GLU 68 -1.547 2.509 -2.502 576 H ALA 69 H ALA 69 3.213 1.542 -2.908 577 HA ALA 69 HA ALA 69 3.759 3.734 -1.200 578 HB1 ALA 69 1HB ALA 69 6.065 2.906 -1.184 579 HB2 ALA 69 2HB ALA 69 4.920 1.550 -1.108 580 HB3 ALA 69 3HB ALA 69 5.753 1.937 -2.632 581 H GLN 70 H GLN 70 4.678 3.322 -4.673 582 HA GLN 70 HA GLN 70 6.286 5.704 -4.790 583 HB2 GLN 70 1HB GLN 70 6.309 3.978 -6.548 584 HB3 GLN 70 2HB GLN 70 4.643 4.371 -6.980 585 HG2 GLN 70 1HG GLN 70 6.666 6.603 -7.035 586 HG3 GLN 70 2HG GLN 70 6.749 5.379 -8.308 587 HE21 GLN 70 1HE2 GLN 70 4.201 8.350 -8.813 588 HE22 GLN 70 2HE2 GLN 70 5.618 8.389 -7.798 589 H ARG 71 H ARG 71 2.794 5.084 -5.248 590 HA ARG 71 HA ARG 71 2.132 7.750 -6.059 591 HB2 ARG 71 1HB ARG 71 0.464 5.804 -4.441 592 HB3 ARG 71 2HB ARG 71 -0.129 7.223 -5.279 593 HG2 ARG 71 1HG ARG 71 0.865 6.032 -7.409 594 HG3 ARG 71 2HG ARG 71 0.757 4.591 -6.389 595 HD2 ARG 71 1HD ARG 71 -1.624 5.284 -5.871 596 HD3 ARG 71 2HD ARG 71 -1.476 6.467 -7.169 597 HE ARG 71 HE ARG 71 -1.771 3.567 -7.402 598 HH11 ARG 71 1HH1 ARG 71 -0.827 6.507 -9.167 599 HH12 ARG 71 2HH1 ARG 71 -1.293 5.806 -10.696 600 HH21 ARG 71 1HH2 ARG 71 -2.255 2.759 -9.401 601 HH22 ARG 71 2HH2 ARG 71 -2.037 3.735 -10.829 602 H LEU 72 H LEU 72 2.586 6.240 -2.811 603 HA LEU 72 HA LEU 72 1.603 8.596 -1.467 604 HB2 LEU 72 1HB LEU 72 3.014 6.099 -0.574 605 HB3 LEU 72 2HB LEU 72 2.589 7.406 0.549 606 HG LEU 72 HG LEU 72 0.483 6.373 -1.324 607 HD11 LEU 72 1HD1 LEU 72 1.248 4.965 1.216 608 HD12 LEU 72 2HD1 LEU 72 1.425 4.333 -0.422 609 HD13 LEU 72 3HD1 LEU 72 -0.188 4.636 0.242 610 HD21 LEU 72 1HD2 LEU 72 -0.005 8.318 0.105 611 HD22 LEU 72 2HD2 LEU 72 0.383 7.356 1.546 612 HD23 LEU 72 3HD2 LEU 72 -1.017 6.927 0.539 613 H LYS 73 H LYS 73 4.724 7.524 -2.683 614 HA LYS 73 HA LYS 73 6.264 9.591 -1.331 615 HB2 LYS 73 1HB LYS 73 7.496 7.811 -2.410 616 HB3 LYS 73 2HB LYS 73 6.631 8.056 -3.914 617 HG2 LYS 73 1HG LYS 73 7.775 10.470 -3.805 618 HG3 LYS 73 2HG LYS 73 8.949 9.601 -2.813 619 HD2 LYS 73 1HD LYS 73 9.569 8.192 -4.583 620 HD3 LYS 73 2HD LYS 73 8.037 8.425 -5.445 621 HE2 LYS 73 1HE LYS 73 10.162 10.581 -5.115 622 HE3 LYS 73 2HE LYS 73 9.986 9.545 -6.544 623 HZ1 LYS 73 1HZ LYS 73 7.637 10.490 -6.695 624 HZ2 LYS 73 2HZ LYS 73 8.860 11.545 -7.027 625 HZ3 LYS 73 3HZ LYS 73 8.103 11.619 -5.578 626 H GLU 74 H GLU 74 4.559 9.342 -4.485 627 HA GLU 74 HA GLU 74 5.223 11.943 -5.403 628 HB2 GLU 74 1HB GLU 74 4.062 9.903 -6.570 629 HB3 GLU 74 2HB GLU 74 2.569 10.613 -5.971 630 HG2 GLU 74 1HG GLU 74 2.778 11.427 -8.153 631 HG3 GLU 74 2HG GLU 74 3.291 12.773 -7.125 632 H LEU 75 H LEU 75 2.470 10.776 -3.465 633 HA LEU 75 HA LEU 75 1.124 13.296 -3.284 634 HB2 LEU 75 1HB LEU 75 1.121 10.775 -1.618 635 HB3 LEU 75 2HB LEU 75 0.107 12.155 -1.234 636 HG LEU 75 HG LEU 75 -0.065 10.954 -3.976 637 HD11 LEU 75 1HD1 LEU 75 -0.271 9.035 -2.486 638 HD12 LEU 75 2HD1 LEU 75 -1.855 9.460 -3.136 639 HD13 LEU 75 3HD1 LEU 75 -1.432 9.908 -1.466 640 HD21 LEU 75 1HD2 LEU 75 -1.208 13.077 -3.470 641 HD22 LEU 75 2HD2 LEU 75 -2.053 12.299 -2.105 642 HD23 LEU 75 3HD2 LEU 75 -2.365 11.776 -3.770 643 H ARG 76 H ARG 76 3.523 11.718 -1.076 644 HA ARG 76 HA ARG 76 3.214 13.828 0.891 645 HB2 ARG 76 1HB ARG 76 4.950 12.821 2.124 646 HB3 ARG 76 2HB ARG 76 4.035 11.504 1.406 647 HG2 ARG 76 1HG ARG 76 5.928 10.651 0.619 648 HG3 ARG 76 2HG ARG 76 6.147 12.073 -0.402 649 HD2 ARG 76 1HD ARG 76 7.012 11.997 2.490 650 HD3 ARG 76 2HD ARG 76 8.065 11.490 1.163 651 HE ARG 76 HE ARG 76 6.978 14.245 1.578 652 HH11 ARG 76 1HH1 ARG 76 9.414 12.158 0.080 653 HH12 ARG 76 2HH1 ARG 76 10.336 13.514 -0.501 654 HH21 ARG 76 1HH2 ARG 76 8.199 15.893 0.837 655 HH22 ARG 76 2HH2 ARG 76 9.661 15.600 -0.071 656 H GLU 77 H GLU 77 4.878 13.675 -2.100 657 HA GLU 77 HA GLU 77 6.776 15.793 -1.349 658 HB2 GLU 77 1HB GLU 77 6.094 14.364 -3.914 659 HB3 GLU 77 2HB GLU 77 7.130 15.805 -3.903 660 HG2 GLU 77 1HG GLU 77 8.699 14.748 -2.390 661 HG3 GLU 77 2HG GLU 77 7.646 13.346 -2.200 662 H GLY 78 H GLY 78 3.463 15.640 -1.909 663 HA2 GLY 78 1HA GLY 78 3.196 18.236 -3.216 664 HA3 GLY 78 2HA GLY 78 1.907 17.288 -2.436 665 H THR 79 H THR 79 2.595 20.200 -2.187 666 HA THR 79 HA THR 79 3.064 20.236 0.760 667 HB THR 79 HB THR 79 5.065 21.192 0.067 668 HG1 THR 79 HG1 THR 79 4.779 23.476 0.260 669 HG21 THR 79 1HG2 THR 79 4.819 21.159 -2.331 670 HG22 THR 79 2HG2 THR 79 5.247 22.813 -1.858 671 HG23 THR 79 3HG2 THR 79 3.566 22.427 -2.278 672 H GLU 80 H GLU 80 1.198 20.607 1.633 673 HA GLU 80 HA GLU 80 -0.726 21.610 2.296 674 HB2 GLU 80 1HB GLU 80 0.378 23.753 2.115 675 HB3 GLU 80 2HB GLU 80 0.003 23.869 0.402 676 HG2 GLU 80 1HG GLU 80 -2.321 24.149 0.816 677 HG3 GLU 80 2HG GLU 80 -2.137 23.717 2.519 678 H ASN 81 H ASN 81 -0.410 22.129 -1.231 679 HA ASN 81 HA ASN 81 -2.333 20.051 -1.804 680 HB2 ASN 81 1HB ASN 81 -4.039 21.356 -2.873 681 HB3 ASN 81 2HB ASN 81 -3.882 22.016 -1.247 682 HD21 ASN 81 1HD2 ASN 81 -2.659 25.136 -2.325 683 HD22 ASN 81 2HD2 ASN 81 -2.734 24.016 -0.988 684 H GLU 82 H GLU 82 -2.222 19.849 -4.295 685 HA GLU 82 HA GLU 82 0.561 20.580 -4.956 686 HB2 GLU 82 1HB GLU 82 -1.265 18.833 -6.587 687 HB3 GLU 82 2HB GLU 82 0.500 18.889 -6.573 688 HG2 GLU 82 1HG GLU 82 0.156 17.020 -5.297 689 HG3 GLU 82 2HG GLU 82 0.205 18.249 -4.036 690 H ARG 83 H ARG 83 -2.316 22.083 -5.402 691 HA ARG 83 HA ARG 83 -3.055 23.730 -6.814 692 HB2 ARG 83 1HB ARG 83 -0.056 24.143 -7.167 693 HB3 ARG 83 2HB ARG 83 -1.307 25.337 -7.563 694 HG2 ARG 83 1HG ARG 83 -1.962 25.509 -5.233 695 HG3 ARG 83 2HG ARG 83 -0.912 24.161 -4.787 696 HD2 ARG 83 1HD ARG 83 1.077 25.498 -5.408 697 HD3 ARG 83 2HD ARG 83 0.012 26.872 -5.771 698 HE ARG 83 HE ARG 83 -0.304 27.235 -3.492 699 HH11 ARG 83 1HH1 ARG 83 1.325 24.127 -3.873 700 HH12 ARG 83 2HH1 ARG 83 1.591 23.950 -2.157 701 HH21 ARG 83 1HH2 ARG 83 0.084 26.927 -1.300 702 HH22 ARG 83 2HH2 ARG 83 0.928 25.505 -0.757 703 H SER 84 H SER 84 -0.484 23.908 -9.080 704 HA SER 84 HA SER 84 -2.181 23.398 -11.281 705 HB2 SER 84 1HB SER 84 0.044 23.200 -12.529 706 HB3 SER 84 2HB SER 84 -0.233 24.703 -11.621 707 HG SER 84 HG SER 84 1.867 23.684 -11.296 708 H ARG 85 H ARG 85 -0.288 21.154 -9.312 709 HA ARG 85 HA ARG 85 -0.741 18.991 -11.317 710 HB2 ARG 85 1HB ARG 85 0.712 18.928 -8.652 711 HB3 ARG 85 2HB ARG 85 0.637 17.608 -9.810 712 HG2 ARG 85 1HG ARG 85 1.910 19.001 -11.434 713 HG3 ARG 85 2HG ARG 85 2.024 20.271 -10.193 714 HD2 ARG 85 1HD ARG 85 4.018 19.166 -9.787 715 HD3 ARG 85 2HD ARG 85 2.948 18.283 -8.688 716 HE ARG 85 HE ARG 85 3.320 17.179 -11.411 717 HH11 ARG 85 1HH1 ARG 85 4.148 16.873 -7.974 718 HH12 ARG 85 2HH1 ARG 85 4.805 15.271 -8.204 719 HH21 ARG 85 1HH2 ARG 85 4.233 15.150 -11.582 720 HH22 ARG 85 2HH2 ARG 85 4.838 14.321 -10.162 721 H GLN 86 H GLN 86 -2.782 20.349 -9.108 722 HA GLN 86 HA GLN 86 -3.324 18.297 -7.254 723 HB2 GLN 86 1HB GLN 86 -4.306 20.662 -7.384 724 HB3 GLN 86 2HB GLN 86 -5.491 20.000 -8.509 725 HG2 GLN 86 1HG GLN 86 -6.528 19.988 -6.370 726 HG3 GLN 86 2HG GLN 86 -6.083 18.304 -6.683 727 HE21 GLN 86 1HE2 GLN 86 -4.653 18.265 -3.483 728 HE22 GLN 86 2HE2 GLN 86 -5.880 17.651 -4.553 729 H LYS 87 H LYS 87 -4.753 18.690 -10.516 730 HA LYS 87 HA LYS 87 -6.541 16.452 -10.270 731 HB2 LYS 87 1HB LYS 87 -6.778 18.326 -11.899 732 HB3 LYS 87 2HB LYS 87 -5.388 17.704 -12.796 733 HG2 LYS 87 1HG LYS 87 -6.569 15.688 -13.394 734 HG3 LYS 87 2HG LYS 87 -7.904 16.060 -12.297 735 HD2 LYS 87 1HD LYS 87 -7.195 17.860 -14.627 736 HD3 LYS 87 2HD LYS 87 -8.246 16.441 -14.808 737 HE2 LYS 87 1HE LYS 87 -9.700 17.346 -12.969 738 HE3 LYS 87 2HE LYS 87 -8.729 18.836 -12.998 739 HZ1 LYS 87 1HZ LYS 87 -9.351 19.106 -15.327 740 HZ2 LYS 87 2HZ LYS 87 -10.702 19.027 -14.382 741 HZ3 LYS 87 3HZ LYS 87 -10.252 17.724 -15.287 742 H TYR 88 H TYR 88 -3.142 16.549 -10.693 743 HA TYR 88 HA TYR 88 -3.094 13.835 -11.912 744 HB2 TYR 88 1HB TYR 88 -1.518 15.194 -12.992 745 HB3 TYR 88 2HB TYR 88 -1.098 16.058 -11.510 746 HD1 TYR 88 HD1 TYR 88 -0.539 12.904 -13.417 747 HD2 TYR 88 HD2 TYR 88 0.553 15.200 -9.945 748 HE1 TYR 88 HE1 TYR 88 1.437 11.415 -13.034 749 HE2 TYR 88 HE2 TYR 88 2.483 13.687 -9.554 750 HH TYR 88 HH TYR 88 3.711 11.943 -10.302 751 H ALA 89 H ALA 89 -2.079 15.644 -8.964 752 HA ALA 89 HA ALA 89 -0.869 13.189 -7.950 753 HB1 ALA 89 1HB ALA 89 0.396 15.107 -7.606 754 HB2 ALA 89 2HB ALA 89 -0.991 16.012 -6.964 755 HB3 ALA 89 3HB ALA 89 -0.275 14.688 -6.014 756 H GLU 90 H GLU 90 -3.716 15.219 -6.846 757 HA GLU 90 HA GLU 90 -4.106 13.370 -4.634 758 HB2 GLU 90 1HB GLU 90 -5.066 15.816 -5.103 759 HB3 GLU 90 2HB GLU 90 -6.426 14.881 -5.729 760 HG2 GLU 90 1HG GLU 90 -6.988 15.234 -3.473 761 HG3 GLU 90 2HG GLU 90 -6.334 13.592 -3.474 762 H GLU 91 H GLU 91 -4.723 13.292 -8.015 763 HA GLU 91 HA GLU 91 -6.780 11.276 -8.107 764 HB2 GLU 91 1HB GLU 91 -6.156 12.593 -10.063 765 HB3 GLU 91 2HB GLU 91 -4.509 12.005 -9.975 766 HG2 GLU 91 1HG GLU 91 -5.546 10.877 -11.770 767 HG3 GLU 91 2HG GLU 91 -5.308 9.710 -10.467 768 H GLU 92 H GLU 92 -3.234 11.262 -7.599 769 HA GLU 92 HA GLU 92 -2.903 8.418 -7.803 770 HB2 GLU 92 1HB GLU 92 -1.340 10.385 -6.092 771 HB3 GLU 92 2HB GLU 92 -0.854 8.755 -6.472 772 HG2 GLU 92 1HG GLU 92 -1.227 10.920 -8.544 773 HG3 GLU 92 2HG GLU 92 0.316 10.516 -7.793 774 H LEU 93 H LEU 93 -4.154 10.557 -5.262 775 HA LEU 93 HA LEU 93 -3.950 8.607 -3.135 776 HB2 LEU 93 1HB LEU 93 -4.312 11.131 -2.923 777 HB3 LEU 93 2HB LEU 93 -5.973 10.853 -3.370 778 HG LEU 93 HG LEU 93 -5.680 11.290 -1.002 779 HD11 LEU 93 1HD1 LEU 93 -6.592 8.420 -1.324 780 HD12 LEU 93 2HD1 LEU 93 -7.559 9.826 -1.826 781 HD13 LEU 93 3HD1 LEU 93 -7.117 9.612 -0.119 782 HD21 LEU 93 1HD2 LEU 93 -4.126 8.686 -0.902 783 HD22 LEU 93 2HD2 LEU 93 -4.660 9.628 0.499 784 HD23 LEU 93 3HD2 LEU 93 -3.478 10.317 -0.634 785 H GLU 94 H GLU 94 -6.503 9.591 -5.469 786 HA GLU 94 HA GLU 94 -8.428 7.702 -4.506 787 HB2 GLU 94 1HB GLU 94 -8.834 9.643 -6.084 788 HB3 GLU 94 2HB GLU 94 -8.151 8.648 -7.373 789 HG2 GLU 94 1HG GLU 94 -10.591 8.528 -7.411 790 HG3 GLU 94 2HG GLU 94 -9.913 6.950 -6.988 791 H GLN 95 H GLN 95 -5.686 7.461 -6.751 792 HA GLN 95 HA GLN 95 -6.366 4.697 -7.373 793 HB2 GLN 95 1HB GLN 95 -3.997 6.406 -8.102 794 HB3 GLN 95 2HB GLN 95 -4.213 4.719 -8.602 795 HG2 GLN 95 1HG GLN 95 -6.380 5.300 -9.657 796 HG3 GLN 95 2HG GLN 95 -6.142 6.991 -9.213 797 HE21 GLN 95 1HE2 GLN 95 -4.891 7.438 -12.422 798 HE22 GLN 95 2HE2 GLN 95 -6.185 7.761 -11.282 799 H VAL 96 H VAL 96 -4.711 6.064 -4.603 800 HA VAL 96 HA VAL 96 -3.409 3.438 -4.137 801 HB VAL 96 HB VAL 96 -2.885 4.081 -1.856 802 HG11 VAL 96 1HG1 VAL 96 -2.166 6.325 -3.730 803 HG12 VAL 96 2HG1 VAL 96 -1.317 5.858 -2.250 804 HG13 VAL 96 3HG1 VAL 96 -1.360 4.746 -3.624 805 HG21 VAL 96 1HG2 VAL 96 -4.905 5.490 -1.402 806 HG22 VAL 96 2HG2 VAL 96 -3.364 6.127 -0.808 807 HG23 VAL 96 3HG2 VAL 96 -4.082 6.796 -2.272 808 H ARG 97 H ARG 97 -6.446 5.150 -3.590 809 HA ARG 97 HA ARG 97 -7.494 3.161 -1.750 810 HB2 ARG 97 1HB ARG 97 -9.026 4.849 -3.764 811 HB3 ARG 97 2HB ARG 97 -9.733 3.927 -2.448 812 HG2 ARG 97 1HG ARG 97 -8.702 5.371 -0.798 813 HG3 ARG 97 2HG ARG 97 -7.769 6.200 -2.051 814 HD2 ARG 97 1HD ARG 97 -9.602 7.623 -1.558 815 HD3 ARG 97 2HD ARG 97 -9.947 6.868 -3.124 816 HE ARG 97 HE ARG 97 -11.067 5.331 -0.975 817 HH11 ARG 97 1HH1 ARG 97 -11.683 8.221 -2.930 818 HH12 ARG 97 2HH1 ARG 97 -13.387 8.197 -2.555 819 HH21 ARG 97 1HH2 ARG 97 -13.250 5.354 -0.605 820 HH22 ARG 97 2HH2 ARG 97 -14.260 6.583 -1.313 821 H GLU 98 H GLU 98 -7.218 3.472 -5.293 822 HA GLU 98 HA GLU 98 -8.601 1.019 -5.890 823 HB2 GLU 98 1HB GLU 98 -8.055 2.770 -7.592 824 HB3 GLU 98 2HB GLU 98 -6.351 2.324 -7.454 825 HG2 GLU 98 1HG GLU 98 -6.981 -0.023 -8.131 826 HG3 GLU 98 2HG GLU 98 -8.618 0.570 -8.453 827 H ALA 99 H ALA 99 -5.106 1.753 -5.325 828 HA ALA 99 HA ALA 99 -4.035 -0.827 -5.769 829 HB1 ALA 99 1HB ALA 99 -3.200 1.153 -3.637 830 HB2 ALA 99 2HB ALA 99 -2.229 -0.166 -4.318 831 HB3 ALA 99 3HB ALA 99 -2.707 1.206 -5.347 832 H LEU 100 H LEU 100 -5.255 0.612 -2.697 833 HA LEU 100 HA LEU 100 -4.967 -1.734 -1.132 834 HB2 LEU 100 1HB LEU 100 -5.347 0.515 -0.204 835 HB3 LEU 100 2HB LEU 100 -6.964 0.544 -0.902 836 HG LEU 100 HG LEU 100 -7.631 -1.343 0.567 837 HD11 LEU 100 1HD1 LEU 100 -6.181 -1.899 2.520 838 HD12 LEU 100 2HD1 LEU 100 -4.859 -0.961 1.775 839 HD13 LEU 100 3HD1 LEU 100 -5.486 -2.424 0.978 840 HD21 LEU 100 1HD2 LEU 100 -6.458 1.056 2.021 841 HD22 LEU 100 2HD2 LEU 100 -7.749 -0.018 2.619 842 HD23 LEU 100 3HD2 LEU 100 -8.036 1.002 1.196 843 H ARG 101 H ARG 101 -7.884 -0.499 -2.882 844 HA ARG 101 HA ARG 101 -9.544 -2.658 -2.031 845 HB2 ARG 101 1HB ARG 101 -10.346 -0.503 -2.998 846 HB3 ARG 101 2HB ARG 101 -9.751 -1.011 -4.582 847 HG2 ARG 101 1HG ARG 101 -12.123 -1.400 -4.526 848 HG3 ARG 101 2HG ARG 101 -11.317 -2.972 -4.478 849 HD2 ARG 101 1HD ARG 101 -11.555 -2.600 -1.831 850 HD3 ARG 101 2HD ARG 101 -12.902 -1.576 -2.346 851 HE ARG 101 HE ARG 101 -13.690 -3.617 -3.645 852 HH11 ARG 101 1HH1 ARG 101 -11.791 -4.025 -0.668 853 HH12 ARG 101 2HH1 ARG 101 -12.416 -5.660 -0.440 854 HH21 ARG 101 1HH2 ARG 101 -14.405 -5.681 -3.215 855 HH22 ARG 101 2HH2 ARG 101 -13.812 -6.560 -1.822 856 H LYS 102 H LYS 102 -7.325 -2.370 -4.805 857 HA LYS 102 HA LYS 102 -8.186 -4.766 -6.143 858 HB2 LYS 102 1HB LYS 102 -6.696 -3.025 -7.132 859 HB3 LYS 102 2HB LYS 102 -5.414 -3.493 -6.023 860 HG2 LYS 102 1HG LYS 102 -6.603 -5.484 -7.990 861 HG3 LYS 102 2HG LYS 102 -5.323 -4.353 -8.457 862 HD2 LYS 102 1HD LYS 102 -4.090 -5.297 -6.323 863 HD3 LYS 102 2HD LYS 102 -5.182 -6.673 -6.539 864 HE2 LYS 102 1HE LYS 102 -4.381 -6.956 -8.854 865 HE3 LYS 102 2HE LYS 102 -3.287 -5.568 -8.643 866 HZ1 LYS 102 1HZ LYS 102 -2.086 -7.597 -8.257 867 HZ2 LYS 102 2HZ LYS 102 -3.192 -8.144 -7.166 868 HZ3 LYS 102 3HZ LYS 102 -2.245 -6.839 -6.800 869 H ALA 103 H ALA 103 -5.643 -4.137 -3.666 870 HA ALA 103 HA ALA 103 -4.819 -6.874 -3.530 871 HB1 ALA 103 1HB ALA 103 -3.736 -6.220 -1.440 872 HB2 ALA 103 2HB ALA 103 -3.488 -4.965 -2.672 873 HB3 ALA 103 3HB ALA 103 -4.687 -4.717 -1.382 874 H GLU 104 H GLU 104 -7.206 -4.987 -1.629 875 HA GLU 104 HA GLU 104 -7.895 -7.030 0.219 876 HB2 GLU 104 1HB GLU 104 -9.499 -4.795 -1.039 877 HB3 GLU 104 2HB GLU 104 -10.170 -5.860 0.197 878 HG2 GLU 104 1HG GLU 104 -8.535 -5.109 1.815 879 HG3 GLU 104 2HG GLU 104 -7.751 -4.091 0.599 880 H LYS 105 H LYS 105 -9.260 -6.268 -3.014 881 HA LYS 105 HA LYS 105 -11.250 -8.338 -2.920 882 HB2 LYS 105 1HB LYS 105 -11.242 -6.366 -4.468 883 HB3 LYS 105 2HB LYS 105 -9.910 -7.123 -5.359 884 HG2 LYS 105 1HG LYS 105 -11.384 -9.092 -5.795 885 HG3 LYS 105 2HG LYS 105 -12.717 -8.229 -5.004 886 HD2 LYS 105 1HD LYS 105 -12.532 -6.433 -6.682 887 HD3 LYS 105 2HD LYS 105 -11.180 -7.299 -7.450 888 HE2 LYS 105 1HE LYS 105 -12.677 -9.258 -7.812 889 HE3 LYS 105 2HE LYS 105 -14.030 -8.322 -7.141 890 HZ1 LYS 105 1HZ LYS 105 -13.720 -6.723 -8.935 891 HZ2 LYS 105 2HZ LYS 105 -13.988 -8.229 -9.554 892 HZ3 LYS 105 3HZ LYS 105 -12.465 -7.597 -9.553 893 H GLU 106 H GLU 106 -7.880 -8.282 -4.106 894 HA GLU 106 HA GLU 106 -7.973 -10.881 -5.320 895 HB2 GLU 106 1HB GLU 106 -6.228 -9.143 -5.681 896 HB3 GLU 106 2HB GLU 106 -5.634 -9.408 -4.041 897 HG2 GLU 106 1HG GLU 106 -4.971 -11.652 -4.586 898 HG3 GLU 106 2HG GLU 106 -5.717 -11.534 -6.189 899 H LEU 107 H LEU 107 -7.117 -9.713 -2.043 900 HA LEU 107 HA LEU 107 -6.568 -12.377 -1.063 901 HB2 LEU 107 1HB LEU 107 -7.091 -9.729 0.293 902 HB3 LEU 107 2HB LEU 107 -6.728 -11.214 1.187 903 HG LEU 107 HG LEU 107 -4.892 -10.273 -1.022 904 HD11 LEU 107 1HD1 LEU 107 -5.191 -8.382 0.558 905 HD12 LEU 107 2HD1 LEU 107 -3.551 -9.051 0.533 906 HD13 LEU 107 3HD1 LEU 107 -4.632 -9.442 1.875 907 HD21 LEU 107 1HD2 LEU 107 -4.417 -11.884 1.517 908 HD22 LEU 107 2HD2 LEU 107 -3.206 -11.510 0.271 909 HD23 LEU 107 3HD2 LEU 107 -4.588 -12.554 -0.117 910 H GLU 108 H GLU 108 -9.535 -10.527 -1.488 911 HA GLU 108 HA GLU 108 -11.170 -12.138 0.269 912 HB2 GLU 108 1HB GLU 108 -11.745 -10.407 -2.121 913 HB3 GLU 108 2HB GLU 108 -13.004 -11.437 -1.453 914 HG2 GLU 108 1HG GLU 108 -13.110 -10.255 0.544 915 HG3 GLU 108 2HG GLU 108 -11.477 -9.607 0.368 916 H SER 109 H SER 109 -10.314 -12.329 -3.238 917 HA SER 109 HA SER 109 -11.726 -14.769 -3.727 918 HB2 SER 109 1HB SER 109 -9.646 -14.922 -5.474 919 HB3 SER 109 2HB SER 109 -11.119 -13.970 -5.741 920 HG SER 109 HG SER 109 -8.698 -13.010 -4.581 921 H HIS 110 H HIS 110 -8.518 -14.118 -2.327 922 HA HIS 110 HA HIS 110 -7.692 -16.911 -2.447 923 HB2 HIS 110 1HB HIS 110 -6.777 -14.643 -0.637 924 HB3 HIS 110 2HB HIS 110 -5.988 -16.214 -0.776 925 HD1 HIS 110 HD1 HIS 110 -6.758 -15.687 -4.185 926 HD2 HIS 110 HD2 HIS 110 -4.113 -13.850 -1.516 927 HE1 HIS 110 HE1 HIS 110 -4.959 -14.566 -5.560 928 H SER 111 H SER 111 -9.821 -15.077 -0.407 929 HA SER 111 HA SER 111 -9.725 -17.152 1.743 930 HB2 SER 111 1HB SER 111 -10.835 -15.389 3.119 931 HB3 SER 111 2HB SER 111 -9.219 -14.930 2.539 932 HG SER 111 HG SER 111 -10.124 -13.663 0.981 933 H SER 112 H SER 112 -11.390 -16.705 -0.975 934 HA SER 112 HA SER 112 -14.129 -16.661 -0.123 935 HB2 SER 112 1HB SER 112 -12.842 -17.586 -2.704 936 HB3 SER 112 2HB SER 112 -14.591 -17.375 -2.457 937 HG SER 112 HG SER 112 -12.853 -15.261 -1.782 938 H TRP 113 H TRP 113 -12.221 -18.897 0.871 939 HA TRP 113 HA TRP 113 -12.254 -21.007 1.551 940 HB2 TRP 113 1HB TRP 113 -14.259 -21.896 2.506 941 HB3 TRP 113 2HB TRP 113 -14.070 -20.184 2.865 942 HD1 TRP 113 HD1 TRP 113 -16.265 -22.558 0.779 943 HE1 TRP 113 HE1 TRP 113 -18.463 -21.434 0.186 944 HE3 TRP 113 HE3 TRP 113 -15.173 -17.896 2.576 945 HZ2 TRP 113 HZ2 TRP 113 -19.621 -18.834 0.441 946 HZ3 TRP 113 HZ3 TRP 113 -16.898 -16.091 2.357 947 HH2 TRP 113 HH2 TRP 113 -19.104 -16.572 1.295 948 H TYR 114 H TYR 114 -12.555 -23.199 1.413 949 HA TYR 114 HA TYR 114 -13.809 -24.475 -0.848 950 HB2 TYR 114 1HB TYR 114 -11.976 -23.470 -2.113 951 HB3 TYR 114 2HB TYR 114 -10.804 -24.035 -0.919 952 HD1 TYR 114 HD1 TYR 114 -9.566 -25.933 -1.471 953 HD2 TYR 114 HD2 TYR 114 -13.524 -25.494 -3.104 954 HE1 TYR 114 HE1 TYR 114 -9.278 -28.052 -2.752 955 HE2 TYR 114 HE2 TYR 114 -13.226 -27.619 -4.381 956 HH TYR 114 HH TYR 114 -10.228 -29.547 -4.182 957 H ALA 115 H ALA 115 -11.166 -24.476 1.550 958 HA ALA 115 HA ALA 115 -11.129 -27.324 1.959 959 HB1 ALA 115 1HB ALA 115 -9.235 -25.850 2.592 960 HB2 ALA 115 2HB ALA 115 -10.270 -25.019 3.781 961 HB3 ALA 115 3HB ALA 115 -9.850 -26.732 4.011 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 10.758 37.979 3.951 2 H2 GLY 1 2H GLY 1 11.289 39.446 3.412 3 H3 GLY 1 3H GLY 1 11.613 38.079 2.546 4 HA2 GLY 1 1HA GLY 1 8.945 39.234 3.004 5 HA3 GLY 1 2HA GLY 1 9.865 39.320 1.488 6 H SER 2 H SER 2 7.758 38.275 0.715 7 HA SER 2 HA SER 2 6.495 36.431 0.155 8 HB2 SER 2 1HB SER 2 7.879 34.709 -1.009 9 HB3 SER 2 2HB SER 2 8.248 36.384 -1.468 10 HG SER 2 HG SER 2 9.694 34.860 0.447 11 HA PRO 3 HA PRO 3 7.121 33.866 3.989 12 HB2 PRO 3 1HB PRO 3 4.628 34.120 5.063 13 HB3 PRO 3 2HB PRO 3 5.900 35.360 5.312 14 HG2 PRO 3 1HG PRO 3 3.695 35.316 3.262 15 HG3 PRO 3 2HG PRO 3 4.115 36.608 4.432 16 HD2 PRO 3 1HD PRO 3 5.001 36.702 1.896 17 HD3 PRO 3 2HD PRO 3 6.070 37.191 3.258 18 H GLU 4 H GLU 4 5.294 33.829 1.156 19 HA GLU 4 HA GLU 4 3.580 31.604 1.458 20 HB2 GLU 4 1HB GLU 4 5.127 32.791 -0.851 21 HB3 GLU 4 2HB GLU 4 4.155 31.331 -1.071 22 HG2 GLU 4 1HG GLU 4 2.942 33.392 -1.712 23 HG3 GLU 4 2HG GLU 4 2.143 32.482 -0.420 24 H PHE 5 H PHE 5 7.121 31.755 0.932 25 HA PHE 5 HA PHE 5 7.356 28.965 0.278 26 HB2 PHE 5 1HB PHE 5 9.346 30.879 1.549 27 HB3 PHE 5 2HB PHE 5 9.735 29.254 0.966 28 HD1 PHE 5 HD1 PHE 5 9.675 32.681 0.089 29 HD2 PHE 5 HD2 PHE 5 9.032 28.755 -1.549 30 HE1 PHE 5 HE1 PHE 5 10.049 33.581 -2.205 31 HE2 PHE 5 HE2 PHE 5 9.401 29.644 -3.844 32 HZ PHE 5 HZ PHE 5 9.908 32.063 -4.178 33 H ASN 6 H ASN 6 7.239 30.744 3.363 34 HA ASN 6 HA ASN 6 7.844 28.382 4.953 35 HB2 ASN 6 1HB ASN 6 6.432 30.967 5.737 36 HB3 ASN 6 2HB ASN 6 7.082 29.760 6.852 37 HD21 ASN 6 1HD2 ASN 6 10.382 30.901 6.625 38 HD22 ASN 6 2HD2 ASN 6 9.291 29.672 7.218 39 H ARG 7 H ARG 7 4.968 30.042 3.708 40 HA ARG 7 HA ARG 7 3.015 28.544 5.153 41 HB2 ARG 7 1HB ARG 7 2.812 30.670 3.621 42 HB3 ARG 7 2HB ARG 7 2.586 29.488 2.323 43 HG2 ARG 7 1HG ARG 7 0.831 28.515 4.111 44 HG3 ARG 7 2HG ARG 7 0.806 30.221 4.590 45 HD2 ARG 7 1HD ARG 7 0.341 29.119 1.805 46 HD3 ARG 7 2HD ARG 7 -0.913 29.661 2.926 47 HE ARG 7 HE ARG 7 0.964 31.781 2.456 48 HH11 ARG 7 1HH1 ARG 7 -1.698 30.049 0.912 49 HH12 ARG 7 2HH1 ARG 7 -2.120 31.420 -0.094 50 HH21 ARG 7 1HH2 ARG 7 0.406 33.486 1.114 51 HH22 ARG 7 2HH2 ARG 7 -0.963 33.328 0.036 52 H TYR 8 H TYR 8 4.769 27.886 2.100 53 HA TYR 8 HA TYR 8 3.151 25.465 1.667 54 HB2 TYR 8 1HB TYR 8 5.567 26.661 0.264 55 HB3 TYR 8 2HB TYR 8 4.866 25.101 -0.181 56 HD1 TYR 8 HD1 TYR 8 2.115 25.250 -0.426 57 HD2 TYR 8 HD2 TYR 8 4.907 28.449 -1.125 58 HE1 TYR 8 HE1 TYR 8 0.463 26.378 -1.907 59 HE2 TYR 8 HE2 TYR 8 3.234 29.573 -2.600 60 HH TYR 8 HH TYR 8 0.031 28.135 -3.258 61 H SER 9 H SER 9 6.191 26.280 3.340 62 HA SER 9 HA SER 9 7.089 23.499 3.229 63 HB2 SER 9 1HB SER 9 8.749 24.131 4.881 64 HB3 SER 9 2HB SER 9 8.700 25.343 3.586 65 HG SER 9 HG SER 9 8.759 26.165 5.787 66 H LYS 10 H LYS 10 5.183 25.571 5.374 67 HA LYS 10 HA LYS 10 4.816 23.821 7.574 68 HB2 LYS 10 1HB LYS 10 3.955 26.039 7.764 69 HB3 LYS 10 2HB LYS 10 3.131 25.934 6.224 70 HG2 LYS 10 1HG LYS 10 1.683 24.046 7.568 71 HG3 LYS 10 2HG LYS 10 2.212 25.016 8.940 72 HD2 LYS 10 1HD LYS 10 0.005 25.759 8.152 73 HD3 LYS 10 2HD LYS 10 1.196 27.040 7.866 74 HE2 LYS 10 1HE LYS 10 0.967 26.928 5.609 75 HE3 LYS 10 2HE LYS 10 0.915 25.172 5.599 76 HZ1 LYS 10 1HZ LYS 10 -1.375 25.175 5.929 77 HZ2 LYS 10 2HZ LYS 10 -1.107 26.332 4.777 78 HZ3 LYS 10 3HZ LYS 10 -1.433 26.782 6.334 79 H GLU 11 H GLU 11 2.827 24.142 4.582 80 HA GLU 11 HA GLU 11 1.211 21.902 5.438 81 HB2 GLU 11 1HB GLU 11 0.643 23.964 3.918 82 HB3 GLU 11 2HB GLU 11 1.184 22.901 2.620 83 HG2 GLU 11 1HG GLU 11 -1.264 22.783 2.965 84 HG3 GLU 11 2HG GLU 11 -0.485 21.224 3.273 85 H HIS 12 H HIS 12 4.011 22.260 3.274 86 HA HIS 12 HA HIS 12 3.809 19.670 2.068 87 HB2 HIS 12 1HB HIS 12 5.407 21.263 1.211 88 HB3 HIS 12 2HB HIS 12 6.188 21.411 2.788 89 HD1 HIS 12 HD1 HIS 12 5.514 18.489 0.347 90 HD2 HIS 12 HD2 HIS 12 8.434 19.994 2.931 91 HE1 HIS 12 HE1 HIS 12 7.523 16.961 0.181 92 H MET 13 H MET 13 5.389 20.805 5.117 93 HA MET 13 HA MET 13 6.375 18.224 5.834 94 HB2 MET 13 1HB MET 13 7.059 20.408 6.846 95 HB3 MET 13 2HB MET 13 5.493 20.487 7.660 96 HG2 MET 13 1HG MET 13 6.036 18.392 8.866 97 HG3 MET 13 2HG MET 13 7.611 18.352 8.059 98 HE1 MET 13 1HE MET 13 5.409 19.887 10.886 99 HE2 MET 13 2HE MET 13 6.292 21.359 11.350 100 HE3 MET 13 3HE MET 13 5.434 21.293 9.794 101 H LYS 14 H LYS 14 3.275 19.873 6.583 102 HA LYS 14 HA LYS 14 2.240 17.818 8.298 103 HB2 LYS 14 1HB LYS 14 0.914 19.876 6.514 104 HB3 LYS 14 2HB LYS 14 -0.010 18.750 7.512 105 HG2 LYS 14 1HG LYS 14 0.853 19.686 9.546 106 HG3 LYS 14 2HG LYS 14 2.076 20.623 8.669 107 HD2 LYS 14 1HD LYS 14 0.308 22.144 9.269 108 HD3 LYS 14 2HD LYS 14 0.237 21.873 7.522 109 HE2 LYS 14 1HE LYS 14 -1.539 20.069 8.027 110 HE3 LYS 14 2HE LYS 14 -1.613 20.762 9.663 111 HZ1 LYS 14 1HZ LYS 14 -3.250 21.740 8.162 112 HZ2 LYS 14 2HZ LYS 14 -2.070 22.213 7.109 113 HZ3 LYS 14 3HZ LYS 14 -2.162 22.894 8.615 114 H LYS 15 H LYS 15 1.896 18.343 4.754 115 HA LYS 15 HA LYS 15 0.216 16.038 4.402 116 HB2 LYS 15 1HB LYS 15 0.429 17.946 2.795 117 HB3 LYS 15 2HB LYS 15 2.046 17.369 2.359 118 HG2 LYS 15 1HG LYS 15 1.216 15.435 1.351 119 HG3 LYS 15 2HG LYS 15 -0.322 15.537 2.226 120 HD2 LYS 15 1HD LYS 15 -0.992 17.476 0.899 121 HD3 LYS 15 2HD LYS 15 0.555 17.433 0.029 122 HE2 LYS 15 1HE LYS 15 -1.259 16.372 -1.281 123 HE3 LYS 15 2HE LYS 15 0.017 15.223 -0.883 124 HZ1 LYS 15 1HZ LYS 15 -1.342 14.236 0.772 125 HZ2 LYS 15 2HZ LYS 15 -2.251 14.355 -0.607 126 HZ3 LYS 15 3HZ LYS 15 -2.511 15.408 0.620 127 H MET 16 H MET 16 3.750 16.571 4.081 128 HA MET 16 HA MET 16 4.385 13.962 3.236 129 HB2 MET 16 1HB MET 16 5.995 15.804 3.194 130 HB3 MET 16 2HB MET 16 6.001 15.861 4.961 131 HG2 MET 16 1HG MET 16 6.988 13.632 5.074 132 HG3 MET 16 2HG MET 16 6.880 13.468 3.319 133 HE1 MET 16 1HE MET 16 8.102 16.620 5.546 134 HE2 MET 16 2HE MET 16 8.695 15.146 6.352 135 HE3 MET 16 3HE MET 16 9.842 16.256 5.567 136 H MET 17 H MET 17 4.068 15.208 6.646 137 HA MET 17 HA MET 17 4.869 12.625 7.662 138 HB2 MET 17 1HB MET 17 4.205 13.345 9.827 139 HB3 MET 17 2HB MET 17 5.014 14.685 9.015 140 HG2 MET 17 1HG MET 17 2.845 15.743 8.587 141 HG3 MET 17 2HG MET 17 2.015 14.380 9.347 142 HE1 MET 17 1HE MET 17 4.479 17.617 11.548 143 HE2 MET 17 2HE MET 17 5.269 16.524 10.390 144 HE3 MET 17 3HE MET 17 4.015 17.656 9.831 145 H LYS 18 H LYS 18 1.681 13.978 6.749 146 HA LYS 18 HA LYS 18 0.263 11.731 7.919 147 HB2 LYS 18 1HB LYS 18 -0.405 14.120 6.309 148 HB3 LYS 18 2HB LYS 18 -1.421 12.716 5.968 149 HG2 LYS 18 1HG LYS 18 -0.931 13.788 8.764 150 HG3 LYS 18 2HG LYS 18 -2.314 14.254 7.753 151 HD2 LYS 18 1HD LYS 18 -3.074 11.918 7.648 152 HD3 LYS 18 2HD LYS 18 -1.657 11.386 8.566 153 HE2 LYS 18 1HE LYS 18 -2.383 12.782 10.482 154 HE3 LYS 18 2HE LYS 18 -3.863 13.201 9.584 155 HZ1 LYS 18 1HZ LYS 18 -4.450 10.875 9.552 156 HZ2 LYS 18 2HZ LYS 18 -4.130 11.287 11.118 157 HZ3 LYS 18 3HZ LYS 18 -3.025 10.422 10.242 158 H ASP 19 H ASP 19 1.419 12.497 4.618 159 HA ASP 19 HA ASP 19 0.253 10.036 3.608 160 HB2 ASP 19 1HB ASP 19 2.099 12.112 2.456 161 HB3 ASP 19 2HB ASP 19 1.738 10.607 1.596 162 H LEU 20 H LEU 20 3.156 10.755 5.400 163 HA LEU 20 HA LEU 20 4.394 8.235 4.531 164 HB2 LEU 20 1HB LEU 20 5.112 10.326 6.551 165 HB3 LEU 20 2HB LEU 20 5.759 8.696 6.743 166 HG LEU 20 HG LEU 20 6.128 10.461 4.309 167 HD11 LEU 20 1HD1 LEU 20 8.093 9.550 6.431 168 HD12 LEU 20 2HD1 LEU 20 7.418 11.188 6.259 169 HD13 LEU 20 3HD1 LEU 20 8.475 10.527 4.995 170 HD21 LEU 20 1HD2 LEU 20 7.029 7.598 4.879 171 HD22 LEU 20 2HD2 LEU 20 7.821 8.623 3.663 172 HD23 LEU 20 3HD2 LEU 20 6.111 8.199 3.472 173 H GLU 21 H GLU 21 2.126 9.303 6.962 174 HA GLU 21 HA GLU 21 2.226 6.910 8.587 175 HB2 GLU 21 1HB GLU 21 1.041 9.146 9.073 176 HB3 GLU 21 2HB GLU 21 -0.198 8.626 7.937 177 HG2 GLU 21 1HG GLU 21 -0.701 6.691 9.359 178 HG3 GLU 21 2HG GLU 21 0.537 7.234 10.512 179 H GLY 22 H GLY 22 0.580 8.024 5.628 180 HA2 GLY 22 1HA GLY 22 -0.831 5.586 5.082 181 HA3 GLY 22 2HA GLY 22 -0.438 6.863 3.919 182 H LEU 23 H LEU 23 2.514 6.636 4.377 183 HA LEU 23 HA LEU 23 2.938 4.521 2.456 184 HB2 LEU 23 1HB LEU 23 4.311 6.732 3.035 185 HB3 LEU 23 2HB LEU 23 5.265 5.601 4.002 186 HG LEU 23 HG LEU 23 4.581 5.101 1.080 187 HD11 LEU 23 1HD1 LEU 23 6.685 6.050 0.397 188 HD12 LEU 23 2HD1 LEU 23 7.101 6.462 2.079 189 HD13 LEU 23 3HD1 LEU 23 5.742 7.278 1.262 190 HD21 LEU 23 1HD2 LEU 23 5.420 3.121 2.153 191 HD22 LEU 23 2HD2 LEU 23 6.711 4.022 2.979 192 HD23 LEU 23 3HD2 LEU 23 6.770 3.781 1.220 193 H HIS 24 H HIS 24 3.203 4.892 5.991 194 HA HIS 24 HA HIS 24 4.270 2.203 6.361 195 HB2 HIS 24 1HB HIS 24 2.981 4.193 8.229 196 HB3 HIS 24 2HB HIS 24 3.348 2.536 8.723 197 HD1 HIS 24 HD1 HIS 24 5.997 1.754 8.298 198 HD2 HIS 24 HD2 HIS 24 5.148 5.877 8.541 199 HE1 HIS 24 HE1 HIS 24 8.189 2.944 8.786 200 H ARG 25 H ARG 25 1.020 3.594 5.871 201 HA ARG 25 HA ARG 25 -0.276 1.090 6.555 202 HB2 ARG 25 1HB ARG 25 -1.561 3.224 6.317 203 HB3 ARG 25 2HB ARG 25 -1.282 3.154 4.567 204 HG2 ARG 25 1HG ARG 25 -2.406 0.959 4.470 205 HG3 ARG 25 2HG ARG 25 -2.697 1.027 6.213 206 HD2 ARG 25 1HD ARG 25 -4.171 2.927 5.927 207 HD3 ARG 25 2HD ARG 25 -3.778 3.006 4.189 208 HE ARG 25 HE ARG 25 -4.648 0.378 4.760 209 HH11 ARG 25 1HH1 ARG 25 -6.072 3.600 4.671 210 HH12 ARG 25 2HH1 ARG 25 -7.652 2.990 4.258 211 HH21 ARG 25 1HH2 ARG 25 -6.678 -0.331 4.219 212 HH22 ARG 25 2HH2 ARG 25 -7.988 0.792 4.004 213 H ALA 26 H ALA 26 1.324 2.355 3.574 214 HA ALA 26 HA ALA 26 0.542 0.134 1.939 215 HB1 ALA 26 1HB ALA 26 1.543 2.276 1.089 216 HB2 ALA 26 2HB ALA 26 3.118 1.751 1.733 217 HB3 ALA 26 3HB ALA 26 2.325 0.813 0.450 218 H GLU 27 H GLU 27 3.156 0.602 4.284 219 HA GLU 27 HA GLU 27 4.583 -1.838 3.772 220 HB2 GLU 27 1HB GLU 27 5.222 0.247 5.116 221 HB3 GLU 27 2HB GLU 27 4.237 -0.396 6.418 222 HG2 GLU 27 1HG GLU 27 5.704 -2.283 6.674 223 HG3 GLU 27 2HG GLU 27 6.634 -1.789 5.239 224 H GLN 28 H GLN 28 1.994 -0.916 6.058 225 HA GLN 28 HA GLN 28 1.563 -3.510 7.156 226 HB2 GLN 28 1HB GLN 28 -0.276 -1.125 6.817 227 HB3 GLN 28 2HB GLN 28 -0.755 -2.604 7.649 228 HG2 GLN 28 1HG GLN 28 1.013 -2.307 9.290 229 HG3 GLN 28 2HG GLN 28 1.586 -0.860 8.457 230 HE21 GLN 28 1HE2 GLN 28 -1.272 -0.553 11.201 231 HE22 GLN 28 2HE2 GLN 28 -0.275 -1.968 10.959 232 H SER 29 H SER 29 0.376 -1.993 4.116 233 HA SER 29 HA SER 29 -1.587 -4.051 3.699 234 HB2 SER 29 1HB SER 29 -1.818 -3.210 1.456 235 HB3 SER 29 2HB SER 29 -1.686 -1.841 2.572 236 HG SER 29 HG SER 29 -0.382 -1.415 0.839 237 H LEU 30 H LEU 30 1.847 -3.706 2.670 238 HA LEU 30 HA LEU 30 1.912 -6.139 1.089 239 HB2 LEU 30 1HB LEU 30 4.080 -5.699 0.861 240 HB3 LEU 30 2HB LEU 30 3.607 -4.150 1.475 241 HG LEU 30 HG LEU 30 4.505 -5.093 3.762 242 HD11 LEU 30 1HD1 LEU 30 4.972 -7.350 2.867 243 HD12 LEU 30 2HD1 LEU 30 6.378 -6.536 3.563 244 HD13 LEU 30 3HD1 LEU 30 6.195 -6.625 1.804 245 HD21 LEU 30 1HD2 LEU 30 5.320 -3.141 2.399 246 HD22 LEU 30 2HD2 LEU 30 6.411 -4.258 1.560 247 HD23 LEU 30 3HD2 LEU 30 6.581 -3.991 3.309 248 H HIS 31 H HIS 31 2.524 -5.456 4.615 249 HA HIS 31 HA HIS 31 3.019 -8.247 5.132 250 HB2 HIS 31 1HB HIS 31 2.375 -5.966 6.983 251 HB3 HIS 31 2HB HIS 31 2.736 -7.614 7.523 252 HD1 HIS 31 HD1 HIS 31 5.123 -8.397 5.754 253 HD2 HIS 31 HD2 HIS 31 4.672 -4.615 7.478 254 HE1 HIS 31 HE1 HIS 31 7.429 -7.384 5.940 255 H ASP 32 H ASP 32 0.010 -6.322 5.311 256 HA ASP 32 HA ASP 32 -1.569 -8.438 6.474 257 HB2 ASP 32 1HB ASP 32 -2.096 -5.884 5.017 258 HB3 ASP 32 2HB ASP 32 -3.324 -7.131 4.818 259 H LEU 33 H LEU 33 -0.585 -7.545 3.157 260 HA LEU 33 HA LEU 33 -2.275 -9.411 1.844 261 HB2 LEU 33 1HB LEU 33 0.245 -7.949 1.117 262 HB3 LEU 33 2HB LEU 33 -0.241 -9.311 0.122 263 HG LEU 33 HG LEU 33 -2.257 -7.177 0.762 264 HD11 LEU 33 1HD1 LEU 33 -0.446 -5.841 -0.063 265 HD12 LEU 33 2HD1 LEU 33 -1.575 -6.053 -1.409 266 HD13 LEU 33 3HD1 LEU 33 -0.078 -6.995 -1.350 267 HD21 LEU 33 1HD2 LEU 33 -1.853 -8.954 -1.687 268 HD22 LEU 33 2HD2 LEU 33 -3.235 -7.891 -1.361 269 HD23 LEU 33 3HD2 LEU 33 -2.952 -9.309 -0.342 270 H GLN 34 H GLN 34 1.203 -9.811 2.927 271 HA GLN 34 HA GLN 34 1.056 -12.599 2.143 272 HB2 GLN 34 1HB GLN 34 3.040 -12.936 3.702 273 HB3 GLN 34 2HB GLN 34 3.245 -11.940 2.289 274 HG2 GLN 34 1HG GLN 34 2.475 -10.220 4.422 275 HG3 GLN 34 2HG GLN 34 3.673 -11.318 5.074 276 HE21 GLN 34 1HE2 GLN 34 5.087 -9.316 1.796 277 HE22 GLN 34 2HE2 GLN 34 3.657 -10.321 1.669 278 H GLU 35 H GLU 35 0.505 -11.053 5.385 279 HA GLU 35 HA GLU 35 0.346 -13.636 6.662 280 HB2 GLU 35 1HB GLU 35 -0.638 -10.907 7.523 281 HB3 GLU 35 2HB GLU 35 -0.819 -12.377 8.497 282 HG2 GLU 35 1HG GLU 35 1.690 -12.703 8.297 283 HG3 GLU 35 2HG GLU 35 1.777 -11.074 7.614 284 H ARG 36 H ARG 36 -2.184 -11.508 5.226 285 HA ARG 36 HA ARG 36 -4.250 -13.359 6.147 286 HB2 ARG 36 1HB ARG 36 -4.394 -11.161 4.073 287 HB3 ARG 36 2HB ARG 36 -5.769 -12.088 4.685 288 HG2 ARG 36 1HG ARG 36 -5.181 -11.253 7.012 289 HG3 ARG 36 2HG ARG 36 -3.991 -10.185 6.249 290 HD2 ARG 36 1HD ARG 36 -6.040 -9.502 4.746 291 HD3 ARG 36 2HD ARG 36 -6.984 -10.105 6.115 292 HE ARG 36 HE ARG 36 -4.908 -8.345 7.046 293 HH11 ARG 36 1HH1 ARG 36 -7.999 -8.180 5.324 294 HH12 ARG 36 2HH1 ARG 36 -8.291 -6.538 5.830 295 HH21 ARG 36 1HH2 ARG 36 -5.327 -6.274 7.619 296 HH22 ARG 36 2HH2 ARG 36 -6.813 -5.484 7.135 297 H LEU 37 H LEU 37 -2.201 -13.084 3.224 298 HA LEU 37 HA LEU 37 -3.674 -15.069 1.713 299 HB2 LEU 37 1HB LEU 37 -1.920 -13.683 0.709 300 HB3 LEU 37 2HB LEU 37 -0.714 -14.374 1.767 301 HG LEU 37 HG LEU 37 -0.728 -15.051 -0.671 302 HD11 LEU 37 1HD1 LEU 37 0.608 -16.193 1.071 303 HD12 LEU 37 2HD1 LEU 37 0.110 -17.260 -0.257 304 HD13 LEU 37 3HD1 LEU 37 -0.726 -17.345 1.304 305 HD21 LEU 37 1HD2 LEU 37 -2.136 -16.854 -1.409 306 HD22 LEU 37 2HD2 LEU 37 -3.169 -15.533 -0.839 307 HD23 LEU 37 3HD2 LEU 37 -2.921 -16.967 0.179 308 H HIS 38 H HIS 38 -0.993 -15.212 4.095 309 HA HIS 38 HA HIS 38 -0.666 -18.034 4.098 310 HB2 HIS 38 1HB HIS 38 0.829 -16.386 5.229 311 HB3 HIS 38 2HB HIS 38 -0.413 -16.112 6.449 312 HD1 HIS 38 HD1 HIS 38 -0.959 -18.171 8.126 313 HD2 HIS 38 HD2 HIS 38 2.396 -18.636 5.640 314 HE1 HIS 38 HE1 HIS 38 0.432 -20.056 9.104 315 H LYS 39 H LYS 39 -2.910 -15.953 5.991 316 HA LYS 39 HA LYS 39 -4.078 -18.150 7.427 317 HB2 LYS 39 1HB LYS 39 -4.214 -15.591 7.871 318 HB3 LYS 39 2HB LYS 39 -5.541 -15.600 6.704 319 HG2 LYS 39 1HG LYS 39 -6.652 -15.814 8.739 320 HG3 LYS 39 2HG LYS 39 -6.530 -17.497 8.199 321 HD2 LYS 39 1HD LYS 39 -4.159 -17.178 9.595 322 HD3 LYS 39 2HD LYS 39 -5.256 -16.125 10.502 323 HE2 LYS 39 1HE LYS 39 -5.408 -18.265 11.531 324 HE3 LYS 39 2HE LYS 39 -6.888 -18.099 10.559 325 HZ1 LYS 39 1HZ LYS 39 -4.440 -19.589 9.796 326 HZ2 LYS 39 2HZ LYS 39 -5.750 -19.372 8.815 327 HZ3 LYS 39 3HZ LYS 39 -5.918 -20.246 10.199 328 H ALA 40 H ALA 40 -4.918 -16.555 4.341 329 HA ALA 40 HA ALA 40 -7.353 -17.965 3.908 330 HB1 ALA 40 1HB ALA 40 -5.402 -16.860 1.835 331 HB2 ALA 40 2HB ALA 40 -7.112 -17.268 1.567 332 HB3 ALA 40 3HB ALA 40 -6.680 -15.922 2.644 333 H GLN 41 H GLN 41 -3.909 -18.776 3.053 334 HA GLN 41 HA GLN 41 -4.630 -21.248 1.812 335 HB2 GLN 41 1HB GLN 41 -2.187 -20.474 3.432 336 HB3 GLN 41 2HB GLN 41 -2.369 -22.024 2.610 337 HG2 GLN 41 1HG GLN 41 -2.617 -20.826 0.462 338 HG3 GLN 41 2HG GLN 41 -2.299 -19.301 1.305 339 HE21 GLN 41 1HE2 GLN 41 0.714 -21.704 0.198 340 HE22 GLN 41 2HE2 GLN 41 -0.953 -21.974 -0.253 341 H GLU 42 H GLU 42 -3.618 -20.599 5.225 342 HA GLU 42 HA GLU 42 -3.850 -23.186 6.196 343 HB2 GLU 42 1HB GLU 42 -4.404 -20.525 7.496 344 HB3 GLU 42 2HB GLU 42 -4.470 -22.035 8.408 345 HG2 GLU 42 1HG GLU 42 -2.151 -22.497 7.928 346 HG3 GLU 42 2HG GLU 42 -2.048 -21.085 6.869 347 H GLU 43 H GLU 43 -6.570 -20.832 5.971 348 HA GLU 43 HA GLU 43 -8.333 -22.926 7.101 349 HB2 GLU 43 1HB GLU 43 -8.995 -20.150 6.055 350 HB3 GLU 43 2HB GLU 43 -10.076 -21.208 6.964 351 HG2 GLU 43 1HG GLU 43 -7.529 -19.899 7.987 352 HG3 GLU 43 2HG GLU 43 -9.185 -19.425 8.375 353 H HIS 44 H HIS 44 -7.956 -21.117 4.004 354 HA HIS 44 HA HIS 44 -10.218 -22.711 2.922 355 HB2 HIS 44 1HB HIS 44 -8.909 -20.335 1.595 356 HB3 HIS 44 2HB HIS 44 -10.497 -21.032 1.286 357 HD1 HIS 44 HD1 HIS 44 -12.052 -20.956 3.741 358 HD2 HIS 44 HD2 HIS 44 -9.117 -18.091 3.021 359 HE1 HIS 44 HE1 HIS 44 -12.576 -18.975 5.226 360 H ARG 45 H ARG 45 -6.874 -22.003 2.342 361 HA ARG 45 HA ARG 45 -5.252 -23.064 1.140 362 HB2 ARG 45 1HB ARG 45 -7.292 -24.943 -0.053 363 HB3 ARG 45 2HB ARG 45 -5.538 -25.100 -0.102 364 HG2 ARG 45 1HG ARG 45 -5.387 -25.637 2.195 365 HG3 ARG 45 2HG ARG 45 -6.981 -24.963 2.549 366 HD2 ARG 45 1HD ARG 45 -7.863 -26.801 0.941 367 HD3 ARG 45 2HD ARG 45 -6.307 -27.591 1.298 368 HE ARG 45 HE ARG 45 -7.475 -26.683 3.728 369 HH11 ARG 45 1HH1 ARG 45 -8.090 -29.155 1.294 370 HH12 ARG 45 2HH1 ARG 45 -8.934 -30.181 2.411 371 HH21 ARG 45 1HH2 ARG 45 -8.572 -28.026 5.093 372 HH22 ARG 45 2HH2 ARG 45 -9.200 -29.552 4.531 373 H THR 46 H THR 46 -7.876 -21.466 0.011 374 HA THR 46 HA THR 46 -8.193 -19.933 -1.593 375 HB THR 46 HB THR 46 -6.386 -18.792 -2.628 376 HG1 THR 46 HG1 THR 46 -5.059 -21.282 -2.370 377 HG21 THR 46 1HG2 THR 46 -6.377 -18.802 -0.077 378 HG22 THR 46 2HG2 THR 46 -4.849 -18.366 -0.870 379 HG23 THR 46 3HG2 THR 46 -5.054 -19.989 -0.183 380 H VAL 47 H VAL 47 -8.349 -19.398 -3.894 381 HA VAL 47 HA VAL 47 -9.106 -21.720 -5.422 382 HB VAL 47 HB VAL 47 -10.113 -19.387 -5.660 383 HG11 VAL 47 1HG1 VAL 47 -8.031 -18.080 -5.743 384 HG12 VAL 47 2HG1 VAL 47 -7.629 -18.817 -7.312 385 HG13 VAL 47 3HG1 VAL 47 -9.059 -17.777 -7.150 386 HG21 VAL 47 1HG2 VAL 47 -9.139 -20.684 -8.231 387 HG22 VAL 47 2HG2 VAL 47 -10.550 -21.197 -7.276 388 HG23 VAL 47 3HG2 VAL 47 -10.540 -19.601 -8.055 389 H GLU 48 H GLU 48 -6.183 -19.957 -4.902 390 HA GLU 48 HA GLU 48 -4.819 -21.202 -7.188 391 HB2 GLU 48 1HB GLU 48 -3.776 -19.416 -4.954 392 HB3 GLU 48 2HB GLU 48 -2.888 -19.934 -6.376 393 HG2 GLU 48 1HG GLU 48 -3.474 -17.915 -7.136 394 HG3 GLU 48 2HG GLU 48 -4.902 -18.807 -7.671 395 H VAL 49 H VAL 49 -5.934 -23.048 -5.255 396 HA VAL 49 HA VAL 49 -4.419 -23.994 -3.199 397 HB VAL 49 HB VAL 49 -4.931 -26.379 -4.564 398 HG11 VAL 49 1HG1 VAL 49 -5.566 -25.885 -2.268 399 HG12 VAL 49 2HG1 VAL 49 -6.814 -24.747 -2.827 400 HG13 VAL 49 3HG1 VAL 49 -6.969 -26.485 -3.177 401 HG21 VAL 49 1HG2 VAL 49 -7.157 -24.419 -5.332 402 HG22 VAL 49 2HG2 VAL 49 -5.943 -25.066 -6.470 403 HG23 VAL 49 3HG2 VAL 49 -7.090 -26.157 -5.675 404 H GLU 50 H GLU 50 -3.698 -24.866 -6.592 405 HA GLU 50 HA GLU 50 -1.040 -25.917 -5.699 406 HB2 GLU 50 1HB GLU 50 -1.065 -27.204 -7.765 407 HB3 GLU 50 2HB GLU 50 -2.587 -27.471 -6.898 408 HG2 GLU 50 1HG GLU 50 -3.663 -25.743 -8.374 409 HG3 GLU 50 2HG GLU 50 -2.154 -25.655 -9.291 410 H LYS 51 H LYS 51 -2.289 -23.085 -6.587 411 HA LYS 51 HA LYS 51 -0.174 -22.452 -8.620 412 HB2 LYS 51 1HB LYS 51 -2.974 -21.288 -8.471 413 HB3 LYS 51 2HB LYS 51 -1.773 -20.990 -9.734 414 HG2 LYS 51 1HG LYS 51 -1.878 -23.371 -10.379 415 HG3 LYS 51 2HG LYS 51 -3.049 -23.651 -9.088 416 HD2 LYS 51 1HD LYS 51 -4.628 -22.110 -10.167 417 HD3 LYS 51 2HD LYS 51 -3.501 -21.980 -11.545 418 HE2 LYS 51 1HE LYS 51 -3.586 -24.427 -11.863 419 HE3 LYS 51 2HE LYS 51 -4.603 -24.603 -10.429 420 HZ1 LYS 51 1HZ LYS 51 -5.397 -23.233 -12.917 421 HZ2 LYS 51 2HZ LYS 51 -6.335 -23.386 -11.567 422 HZ3 LYS 51 3HZ LYS 51 -5.894 -24.727 -12.421 423 H VAL 52 H VAL 52 -0.724 -21.907 -5.496 424 HA VAL 52 HA VAL 52 -0.925 -19.096 -5.222 425 HB VAL 52 HB VAL 52 0.681 -19.723 -3.093 426 HG11 VAL 52 1HG1 VAL 52 -2.306 -20.380 -3.199 427 HG12 VAL 52 2HG1 VAL 52 -1.367 -19.947 -1.751 428 HG13 VAL 52 3HG1 VAL 52 -1.638 -18.743 -3.025 429 HG21 VAL 52 1HG2 VAL 52 0.928 -22.109 -3.934 430 HG22 VAL 52 2HG2 VAL 52 0.279 -21.968 -2.295 431 HG23 VAL 52 3HG2 VAL 52 -0.818 -22.329 -3.637 432 H HIS 53 H HIS 53 1.929 -21.152 -5.796 433 HA HIS 53 HA HIS 53 4.157 -20.595 -6.182 434 HB2 HIS 53 1HB HIS 53 2.751 -18.349 -7.682 435 HB3 HIS 53 2HB HIS 53 4.475 -18.721 -7.816 436 HD1 HIS 53 HD1 HIS 53 1.103 -19.960 -8.925 437 HD2 HIS 53 HD2 HIS 53 5.125 -21.033 -9.222 438 HE1 HIS 53 HE1 HIS 53 1.270 -21.748 -10.717 439 H LEU 54 H LEU 54 3.746 -19.966 -3.673 440 HA LEU 54 HA LEU 54 3.443 -17.595 -2.545 441 HB2 LEU 54 1HB LEU 54 5.080 -19.922 -1.951 442 HB3 LEU 54 2HB LEU 54 5.781 -18.465 -1.267 443 HG LEU 54 HG LEU 54 4.388 -19.671 0.336 444 HD11 LEU 54 1HD1 LEU 54 3.074 -17.792 1.159 445 HD12 LEU 54 2HD1 LEU 54 3.153 -16.995 -0.427 446 HD13 LEU 54 3HD1 LEU 54 4.633 -17.218 0.535 447 HD21 LEU 54 1HD2 LEU 54 1.986 -19.798 0.130 448 HD22 LEU 54 2HD2 LEU 54 2.737 -20.605 -1.260 449 HD23 LEU 54 3HD2 LEU 54 2.025 -18.981 -1.443 450 H GLU 55 H GLU 55 6.740 -18.313 -3.877 451 HA GLU 55 HA GLU 55 7.822 -15.828 -3.011 452 HB2 GLU 55 1HB GLU 55 9.114 -17.830 -3.823 453 HB3 GLU 55 2HB GLU 55 8.601 -17.434 -5.469 454 HG2 GLU 55 1HG GLU 55 9.690 -15.182 -5.175 455 HG3 GLU 55 2HG GLU 55 10.334 -15.757 -3.631 456 H LYS 56 H LYS 56 6.298 -16.753 -6.122 457 HA LYS 56 HA LYS 56 6.681 -14.180 -7.371 458 HB2 LYS 56 1HB LYS 56 6.206 -16.279 -8.633 459 HB3 LYS 56 2HB LYS 56 4.595 -16.329 -7.908 460 HG2 LYS 56 1HG LYS 56 4.067 -14.150 -8.973 461 HG3 LYS 56 2HG LYS 56 5.646 -14.184 -9.779 462 HD2 LYS 56 1HD LYS 56 5.024 -16.295 -10.896 463 HD3 LYS 56 2HD LYS 56 3.449 -16.272 -10.075 464 HE2 LYS 56 1HE LYS 56 4.457 -14.108 -11.971 465 HE3 LYS 56 2HE LYS 56 3.356 -15.423 -12.429 466 HZ1 LYS 56 1HZ LYS 56 1.782 -14.559 -10.769 467 HZ2 LYS 56 2HZ LYS 56 2.124 -13.427 -11.918 468 HZ3 LYS 56 3HZ LYS 56 2.796 -13.303 -10.419 469 H LYS 57 H LYS 57 4.004 -15.687 -5.511 470 HA LYS 57 HA LYS 57 2.166 -13.539 -5.893 471 HB2 LYS 57 1HB LYS 57 2.277 -15.957 -4.407 472 HB3 LYS 57 2HB LYS 57 1.902 -14.688 -3.247 473 HG2 LYS 57 1HG LYS 57 0.380 -15.162 -5.852 474 HG3 LYS 57 2HG LYS 57 -0.117 -15.801 -4.282 475 HD2 LYS 57 1HD LYS 57 0.164 -12.820 -4.898 476 HD3 LYS 57 2HD LYS 57 -1.356 -13.729 -4.967 477 HE2 LYS 57 1HE LYS 57 -1.035 -14.372 -2.582 478 HE3 LYS 57 2HE LYS 57 0.400 -13.334 -2.527 479 HZ1 LYS 57 1HZ LYS 57 -1.148 -11.917 -1.762 480 HZ2 LYS 57 2HZ LYS 57 -2.407 -12.582 -2.617 481 HZ3 LYS 57 3HZ LYS 57 -1.337 -11.577 -3.368 482 H LEU 58 H LEU 58 4.645 -14.098 -3.351 483 HA LEU 58 HA LEU 58 4.052 -11.699 -1.908 484 HB2 LEU 58 1HB LEU 58 6.249 -13.673 -2.010 485 HB3 LEU 58 2HB LEU 58 6.759 -12.044 -1.579 486 HG LEU 58 HG LEU 58 5.135 -12.003 0.277 487 HD11 LEU 58 1HD1 LEU 58 3.423 -13.547 -0.494 488 HD12 LEU 58 2HD1 LEU 58 4.100 -14.149 1.025 489 HD13 LEU 58 3HD1 LEU 58 4.592 -14.890 -0.516 490 HD21 LEU 58 1HD2 LEU 58 7.008 -14.401 0.288 491 HD22 LEU 58 2HD2 LEU 58 6.359 -13.569 1.722 492 HD23 LEU 58 3HD2 LEU 58 7.464 -12.714 0.629 493 H ARG 59 H ARG 59 6.348 -12.381 -4.611 494 HA ARG 59 HA ARG 59 7.461 -9.756 -4.648 495 HB2 ARG 59 1HB ARG 59 7.066 -11.846 -6.799 496 HB3 ARG 59 2HB ARG 59 7.806 -10.282 -7.158 497 HG2 ARG 59 1HG ARG 59 9.638 -10.693 -5.688 498 HG3 ARG 59 2HG ARG 59 8.846 -12.112 -4.982 499 HD2 ARG 59 1HD ARG 59 8.959 -13.269 -7.146 500 HD3 ARG 59 2HD ARG 59 9.770 -11.859 -7.863 501 HE ARG 59 HE ARG 59 11.302 -12.542 -5.642 502 HH11 ARG 59 1HH1 ARG 59 10.344 -14.222 -8.592 503 HH12 ARG 59 2HH1 ARG 59 11.753 -15.248 -8.567 504 HH21 ARG 59 1HH2 ARG 59 13.102 -13.848 -5.722 505 HH22 ARG 59 2HH2 ARG 59 13.280 -15.030 -6.986 506 H ASP 60 H ASP 60 4.526 -11.042 -6.233 507 HA ASP 60 HA ASP 60 3.999 -8.594 -7.670 508 HB2 ASP 60 1HB ASP 60 2.274 -10.989 -6.961 509 HB3 ASP 60 2HB ASP 60 1.716 -9.645 -7.970 510 H GLU 61 H GLU 61 2.704 -9.923 -4.569 511 HA GLU 61 HA GLU 61 0.727 -7.831 -4.334 512 HB2 GLU 61 1HB GLU 61 0.195 -8.815 -2.268 513 HB3 GLU 61 2HB GLU 61 0.739 -10.149 -3.266 514 HG2 GLU 61 1HG GLU 61 3.004 -9.874 -2.155 515 HG3 GLU 61 2HG GLU 61 2.235 -8.765 -1.024 516 H ILE 62 H ILE 62 4.000 -8.291 -2.944 517 HA ILE 62 HA ILE 62 4.004 -5.798 -1.551 518 HB ILE 62 HB ILE 62 6.414 -7.371 -2.589 519 HG12 ILE 62 1HG1 ILE 62 5.105 -7.486 0.161 520 HG13 ILE 62 2HG1 ILE 62 4.786 -8.664 -1.081 521 HG21 ILE 62 1HG2 ILE 62 7.611 -6.204 -0.734 522 HG22 ILE 62 2HG2 ILE 62 6.904 -5.023 -1.849 523 HG23 ILE 62 3HG2 ILE 62 6.105 -5.359 -0.306 524 HD11 ILE 62 1HD1 ILE 62 7.431 -8.189 0.329 525 HD12 ILE 62 2HD1 ILE 62 6.409 -9.640 0.366 526 HD13 ILE 62 3HD1 ILE 62 7.268 -9.207 -1.126 527 H ASN 63 H ASN 63 4.576 -6.735 -4.964 528 HA ASN 63 HA ASN 63 5.737 -4.177 -5.654 529 HB2 ASN 63 1HB ASN 63 5.784 -6.256 -7.116 530 HB3 ASN 63 2HB ASN 63 4.110 -5.883 -7.539 531 HD21 ASN 63 1HD2 ASN 63 5.140 -3.732 -10.042 532 HD22 ASN 63 2HD2 ASN 63 3.990 -4.898 -9.433 533 H LEU 64 H LEU 64 2.404 -5.392 -5.359 534 HA LEU 64 HA LEU 64 1.153 -3.006 -6.413 535 HB2 LEU 64 1HB LEU 64 -0.085 -5.113 -6.106 536 HB3 LEU 64 2HB LEU 64 0.197 -5.040 -4.376 537 HG LEU 64 HG LEU 64 -1.148 -2.955 -4.243 538 HD11 LEU 64 1HD1 LEU 64 -2.711 -2.486 -6.141 539 HD12 LEU 64 2HD1 LEU 64 -1.765 -3.602 -7.155 540 HD13 LEU 64 3HD1 LEU 64 -1.019 -2.119 -6.521 541 HD21 LEU 64 1HD2 LEU 64 -2.405 -5.477 -5.353 542 HD22 LEU 64 2HD2 LEU 64 -3.286 -4.177 -4.511 543 HD23 LEU 64 3HD2 LEU 64 -2.041 -5.105 -3.658 544 H ALA 65 H ALA 65 2.229 -4.076 -3.140 545 HA ALA 65 HA ALA 65 1.383 -1.673 -1.820 546 HB1 ALA 65 1HB ALA 65 2.941 -2.298 -0.069 547 HB2 ALA 65 2HB ALA 65 2.058 -3.728 -0.643 548 HB3 ALA 65 3HB ALA 65 3.745 -3.457 -1.149 549 H LYS 66 H LYS 66 4.351 -2.431 -3.683 550 HA LYS 66 HA LYS 66 5.737 0.026 -3.041 551 HB2 LYS 66 1HB LYS 66 5.907 -1.798 -5.455 552 HB3 LYS 66 2HB LYS 66 6.938 -0.390 -5.237 553 HG2 LYS 66 1HG LYS 66 8.009 -1.345 -3.323 554 HG3 LYS 66 2HG LYS 66 6.813 -2.644 -3.236 555 HD2 LYS 66 1HD LYS 66 7.552 -3.245 -5.630 556 HD3 LYS 66 2HD LYS 66 8.967 -2.233 -5.313 557 HE2 LYS 66 1HE LYS 66 9.609 -3.639 -3.444 558 HE3 LYS 66 2HE LYS 66 8.068 -4.524 -3.532 559 HZ1 LYS 66 1HZ LYS 66 8.696 -5.323 -5.713 560 HZ2 LYS 66 2HZ LYS 66 9.839 -5.756 -4.605 561 HZ3 LYS 66 3HZ LYS 66 10.131 -4.513 -5.651 562 H GLN 67 H GLN 67 3.319 -0.864 -5.513 563 HA GLN 67 HA GLN 67 3.483 1.590 -6.991 564 HB2 GLN 67 1HB GLN 67 2.239 -0.429 -7.783 565 HB3 GLN 67 2HB GLN 67 1.060 -0.188 -6.496 566 HG2 GLN 67 1HG GLN 67 0.493 2.033 -7.458 567 HG3 GLN 67 2HG GLN 67 1.580 1.683 -8.812 568 HE21 GLN 67 1HE2 GLN 67 -2.188 0.385 -8.889 569 HE22 GLN 67 2HE2 GLN 67 -1.575 1.581 -7.774 570 H GLU 68 H GLU 68 1.260 0.521 -4.330 571 HA GLU 68 HA GLU 68 0.059 2.991 -3.791 572 HB2 GLU 68 1HB GLU 68 -0.339 0.685 -2.737 573 HB3 GLU 68 2HB GLU 68 1.022 1.039 -1.675 574 HG2 GLU 68 1HG GLU 68 -0.218 3.130 -0.979 575 HG3 GLU 68 2HG GLU 68 -1.616 2.485 -1.845 576 H ALA 69 H ALA 69 3.172 1.750 -2.419 577 HA ALA 69 HA ALA 69 3.688 4.026 -0.814 578 HB1 ALA 69 1HB ALA 69 5.596 2.047 -2.093 579 HB2 ALA 69 2HB ALA 69 6.036 3.209 -0.825 580 HB3 ALA 69 3HB ALA 69 4.840 1.936 -0.482 581 H GLN 70 H GLN 70 4.482 3.497 -4.274 582 HA GLN 70 HA GLN 70 6.157 5.824 -4.525 583 HB2 GLN 70 1HB GLN 70 5.970 4.018 -6.251 584 HB3 GLN 70 2HB GLN 70 4.334 4.585 -6.619 585 HG2 GLN 70 1HG GLN 70 5.262 6.805 -7.242 586 HG3 GLN 70 2HG GLN 70 6.893 6.194 -6.938 587 HE21 GLN 70 1HE2 GLN 70 5.330 5.784 -10.528 588 HE22 GLN 70 2HE2 GLN 70 4.827 6.951 -9.311 589 H ARG 71 H ARG 71 2.647 5.243 -4.763 590 HA ARG 71 HA ARG 71 2.011 7.921 -5.586 591 HB2 ARG 71 1HB ARG 71 0.248 6.126 -3.922 592 HB3 ARG 71 2HB ARG 71 -0.247 7.410 -5.021 593 HG2 ARG 71 1HG ARG 71 1.228 5.576 -6.597 594 HG3 ARG 71 2HG ARG 71 0.226 4.592 -5.516 595 HD2 ARG 71 1HD ARG 71 -1.255 4.879 -7.200 596 HD3 ARG 71 2HD ARG 71 -1.627 6.332 -6.255 597 HE ARG 71 HE ARG 71 -0.436 7.678 -7.825 598 HH11 ARG 71 1HH1 ARG 71 -0.476 4.299 -8.873 599 HH12 ARG 71 2HH1 ARG 71 -0.028 4.724 -10.500 600 HH21 ARG 71 1HH2 ARG 71 0.115 8.128 -9.846 601 HH22 ARG 71 2HH2 ARG 71 0.327 6.867 -11.044 602 H LEU 72 H LEU 72 2.565 6.387 -2.343 603 HA LEU 72 HA LEU 72 1.743 8.720 -0.921 604 HB2 LEU 72 1HB LEU 72 3.309 6.297 -0.243 605 HB3 LEU 72 2HB LEU 72 3.344 7.689 0.823 606 HG LEU 72 HG LEU 72 1.731 6.523 1.813 607 HD11 LEU 72 1HD1 LEU 72 -0.491 7.294 1.466 608 HD12 LEU 72 2HD1 LEU 72 -0.108 7.781 -0.192 609 HD13 LEU 72 3HD1 LEU 72 0.632 8.633 1.177 610 HD21 LEU 72 1HD2 LEU 72 0.187 4.971 0.919 611 HD22 LEU 72 2HD2 LEU 72 1.787 4.646 0.235 612 HD23 LEU 72 3HD2 LEU 72 0.565 5.494 -0.734 613 H LYS 73 H LYS 73 4.850 7.657 -2.382 614 HA LYS 73 HA LYS 73 6.409 9.852 -1.355 615 HB2 LYS 73 1HB LYS 73 6.563 8.537 -4.078 616 HB3 LYS 73 2HB LYS 73 7.670 9.756 -3.502 617 HG2 LYS 73 1HG LYS 73 8.597 8.283 -1.878 618 HG3 LYS 73 2HG LYS 73 7.314 7.079 -2.151 619 HD2 LYS 73 1HD LYS 73 9.330 6.388 -3.376 620 HD3 LYS 73 2HD LYS 73 8.051 6.837 -4.513 621 HE2 LYS 73 1HE LYS 73 9.157 9.165 -4.653 622 HE3 LYS 73 2HE LYS 73 10.532 8.454 -3.793 623 HZ1 LYS 73 1HZ LYS 73 9.426 7.527 -6.384 624 HZ2 LYS 73 2HZ LYS 73 10.719 6.850 -5.612 625 HZ3 LYS 73 3HZ LYS 73 10.813 8.394 -6.191 626 H GLU 74 H GLU 74 4.503 9.545 -4.394 627 HA GLU 74 HA GLU 74 5.107 12.198 -5.252 628 HB2 GLU 74 1HB GLU 74 2.853 10.304 -5.965 629 HB3 GLU 74 2HB GLU 74 3.113 11.864 -6.766 630 HG2 GLU 74 1HG GLU 74 5.420 11.147 -7.377 631 HG3 GLU 74 2HG GLU 74 5.123 9.572 -6.636 632 H LEU 75 H LEU 75 2.538 10.960 -3.136 633 HA LEU 75 HA LEU 75 1.074 13.448 -2.978 634 HB2 LEU 75 1HB LEU 75 1.319 10.986 -1.252 635 HB3 LEU 75 2HB LEU 75 0.411 12.383 -0.705 636 HG LEU 75 HG LEU 75 -0.214 11.164 -3.352 637 HD11 LEU 75 1HD1 LEU 75 -1.880 9.740 -2.256 638 HD12 LEU 75 2HD1 LEU 75 -1.257 10.233 -0.665 639 HD13 LEU 75 3HD1 LEU 75 -0.235 9.309 -1.792 640 HD21 LEU 75 1HD2 LEU 75 -2.409 12.099 -2.926 641 HD22 LEU 75 2HD2 LEU 75 -1.201 13.361 -2.669 642 HD23 LEU 75 3HD2 LEU 75 -1.945 12.538 -1.271 643 H ARG 76 H ARG 76 3.712 12.010 -1.007 644 HA ARG 76 HA ARG 76 3.741 14.013 1.042 645 HB2 ARG 76 1HB ARG 76 5.946 12.328 -0.174 646 HB3 ARG 76 2HB ARG 76 6.206 13.385 1.208 647 HG2 ARG 76 1HG ARG 76 5.043 12.026 2.647 648 HG3 ARG 76 2HG ARG 76 4.056 11.312 1.358 649 HD2 ARG 76 1HD ARG 76 5.755 9.749 2.165 650 HD3 ARG 76 2HD ARG 76 5.982 10.167 0.470 651 HE ARG 76 HE ARG 76 7.491 11.909 2.201 652 HH11 ARG 76 1HH1 ARG 76 7.605 8.736 0.672 653 HH12 ARG 76 2HH1 ARG 76 9.348 8.688 0.688 654 HH21 ARG 76 1HH2 ARG 76 9.700 11.787 2.193 655 HH22 ARG 76 2HH2 ARG 76 10.513 10.386 1.550 656 H GLU 77 H GLU 77 5.120 13.876 -2.182 657 HA GLU 77 HA GLU 77 6.786 16.236 -1.820 658 HB2 GLU 77 1HB GLU 77 5.937 14.581 -4.214 659 HB3 GLU 77 2HB GLU 77 7.044 15.960 -4.336 660 HG2 GLU 77 1HG GLU 77 8.720 14.882 -3.013 661 HG3 GLU 77 2HG GLU 77 7.593 13.664 -2.417 662 H GLY 78 H GLY 78 3.552 16.008 -1.747 663 HA2 GLY 78 1HA GLY 78 2.939 18.334 -3.450 664 HA3 GLY 78 2HA GLY 78 1.799 17.368 -2.504 665 H THR 79 H THR 79 1.245 19.863 -2.226 666 HA THR 79 HA THR 79 1.952 20.552 0.506 667 HB THR 79 HB THR 79 3.964 21.431 -0.724 668 HG1 THR 79 HG1 THR 79 3.916 22.956 0.704 669 HG21 THR 79 1HG2 THR 79 2.898 21.952 -2.898 670 HG22 THR 79 2HG2 THR 79 3.758 23.349 -2.222 671 HG23 THR 79 3HG2 THR 79 1.989 23.274 -2.129 672 H GLU 80 H GLU 80 1.064 23.142 0.571 673 HA GLU 80 HA GLU 80 -1.759 22.952 0.423 674 HB2 GLU 80 1HB GLU 80 -0.310 24.614 1.732 675 HB3 GLU 80 2HB GLU 80 -0.105 25.501 0.233 676 HG2 GLU 80 1HG GLU 80 -2.541 25.871 0.119 677 HG3 GLU 80 2HG GLU 80 -2.742 24.976 1.635 678 H ASN 81 H ASN 81 -3.265 23.736 -1.072 679 HA ASN 81 HA ASN 81 -4.172 24.269 -3.069 680 HB2 ASN 81 1HB ASN 81 -3.442 26.176 -3.921 681 HB3 ASN 81 2HB ASN 81 -2.034 26.062 -2.868 682 HD21 ASN 81 1HD2 ASN 81 -1.415 26.302 -6.705 683 HD22 ASN 81 2HD2 ASN 81 -2.764 26.911 -5.784 684 H GLU 82 H GLU 82 -2.162 21.921 -2.580 685 HA GLU 82 HA GLU 82 -1.438 20.077 -3.592 686 HB2 GLU 82 1HB GLU 82 -2.967 18.808 -4.782 687 HB3 GLU 82 2HB GLU 82 -3.876 19.742 -3.619 688 HG2 GLU 82 1HG GLU 82 -4.826 21.132 -5.323 689 HG3 GLU 82 2HG GLU 82 -3.701 20.535 -6.546 690 H ARG 83 H ARG 83 -0.212 22.385 -4.597 691 HA ARG 83 HA ARG 83 1.382 22.909 -6.154 692 HB2 ARG 83 1HB ARG 83 0.945 20.131 -7.317 693 HB3 ARG 83 2HB ARG 83 2.278 21.218 -7.689 694 HG2 ARG 83 1HG ARG 83 3.094 21.077 -5.395 695 HG3 ARG 83 2HG ARG 83 1.716 20.063 -4.931 696 HD2 ARG 83 1HD ARG 83 3.707 19.271 -7.092 697 HD3 ARG 83 2HD ARG 83 3.901 18.847 -5.384 698 HE ARG 83 HE ARG 83 1.352 18.066 -6.653 699 HH11 ARG 83 1HH1 ARG 83 4.556 17.005 -5.571 700 HH12 ARG 83 2HH1 ARG 83 4.078 15.320 -5.566 701 HH21 ARG 83 1HH2 ARG 83 0.870 15.867 -6.640 702 HH22 ARG 83 2HH2 ARG 83 2.077 14.707 -6.136 703 H SER 84 H SER 84 0.138 24.522 -6.916 704 HA SER 84 HA SER 84 -0.987 25.769 -8.479 705 HB2 SER 84 1HB SER 84 0.258 23.792 -10.414 706 HB3 SER 84 2HB SER 84 -0.315 25.432 -10.795 707 HG SER 84 HG SER 84 1.989 25.232 -10.367 708 H ARG 85 H ARG 85 -2.522 23.612 -7.299 709 HA ARG 85 HA ARG 85 -4.492 22.512 -7.514 710 HB2 ARG 85 1HB ARG 85 -4.972 24.510 -9.752 711 HB3 ARG 85 2HB ARG 85 -6.195 23.440 -9.064 712 HG2 ARG 85 1HG ARG 85 -5.839 24.478 -6.846 713 HG3 ARG 85 2HG ARG 85 -4.731 25.647 -7.606 714 HD2 ARG 85 1HD ARG 85 -6.515 26.399 -9.102 715 HD3 ARG 85 2HD ARG 85 -7.613 25.168 -8.449 716 HE ARG 85 HE ARG 85 -6.708 26.768 -6.298 717 HH11 ARG 85 1HH1 ARG 85 -8.776 27.087 -9.137 718 HH12 ARG 85 2HH1 ARG 85 -9.758 28.326 -8.402 719 HH21 ARG 85 1HH2 ARG 85 -8.017 28.343 -5.414 720 HH22 ARG 85 2HH2 ARG 85 -9.332 29.022 -6.333 721 H GLN 86 H GLN 86 -2.197 21.379 -8.967 722 HA GLN 86 HA GLN 86 -3.501 20.226 -11.352 723 HB2 GLN 86 1HB GLN 86 -0.874 19.540 -9.973 724 HB3 GLN 86 2HB GLN 86 -1.466 18.810 -11.474 725 HG2 GLN 86 1HG GLN 86 -0.758 21.735 -11.051 726 HG3 GLN 86 2HG GLN 86 0.168 20.557 -11.984 727 HE21 GLN 86 1HE2 GLN 86 -2.727 22.686 -13.718 728 HE22 GLN 86 2HE2 GLN 86 -2.082 23.025 -12.127 729 H LYS 87 H LYS 87 -5.266 19.180 -10.740 730 HA LYS 87 HA LYS 87 -5.843 17.953 -8.323 731 HB2 LYS 87 1HB LYS 87 -7.363 18.542 -10.277 732 HB3 LYS 87 2HB LYS 87 -6.933 16.978 -10.977 733 HG2 LYS 87 1HG LYS 87 -7.843 16.919 -8.139 734 HG3 LYS 87 2HG LYS 87 -9.068 17.414 -9.317 735 HD2 LYS 87 1HD LYS 87 -9.103 15.346 -10.373 736 HD3 LYS 87 2HD LYS 87 -7.430 14.967 -9.928 737 HE2 LYS 87 1HE LYS 87 -8.124 14.692 -7.560 738 HE3 LYS 87 2HE LYS 87 -9.812 14.994 -8.032 739 HZ1 LYS 87 1HZ LYS 87 -8.126 12.784 -9.068 740 HZ2 LYS 87 2HZ LYS 87 -9.709 13.037 -9.440 741 HZ3 LYS 87 3HZ LYS 87 -9.283 12.619 -7.900 742 H TYR 88 H TYR 88 -3.821 16.653 -10.799 743 HA TYR 88 HA TYR 88 -3.984 13.893 -10.362 744 HB2 TYR 88 1HB TYR 88 -2.595 14.860 -12.108 745 HB3 TYR 88 2HB TYR 88 -1.586 15.679 -10.910 746 HD1 TYR 88 HD1 TYR 88 0.263 14.552 -9.850 747 HD2 TYR 88 HD2 TYR 88 -2.527 12.292 -12.231 748 HE1 TYR 88 HE1 TYR 88 1.779 12.567 -9.752 749 HE2 TYR 88 HE2 TYR 88 -0.988 10.324 -12.138 750 HH TYR 88 HH TYR 88 2.078 10.369 -10.284 751 H ALA 89 H ALA 89 -2.590 16.437 -8.257 752 HA ALA 89 HA ALA 89 -0.990 14.645 -6.711 753 HB1 ALA 89 1HB ALA 89 -2.355 17.245 -5.937 754 HB2 ALA 89 2HB ALA 89 -1.065 16.450 -5.005 755 HB3 ALA 89 3HB ALA 89 -0.739 17.091 -6.639 756 H GLU 90 H GLU 90 -4.334 15.958 -5.873 757 HA GLU 90 HA GLU 90 -4.444 14.001 -3.698 758 HB2 GLU 90 1HB GLU 90 -6.577 15.775 -4.911 759 HB3 GLU 90 2HB GLU 90 -6.840 14.698 -3.532 760 HG2 GLU 90 1HG GLU 90 -4.892 17.038 -3.641 761 HG3 GLU 90 2HG GLU 90 -6.408 16.971 -2.735 762 H GLU 91 H GLU 91 -5.038 13.899 -7.094 763 HA GLU 91 HA GLU 91 -6.791 11.612 -7.083 764 HB2 GLU 91 1HB GLU 91 -6.200 13.072 -9.079 765 HB3 GLU 91 2HB GLU 91 -4.658 12.218 -9.138 766 HG2 GLU 91 1HG GLU 91 -5.835 10.097 -9.447 767 HG3 GLU 91 2HG GLU 91 -7.388 10.946 -9.366 768 H GLU 92 H GLU 92 -3.283 12.064 -6.517 769 HA GLU 92 HA GLU 92 -2.600 9.305 -6.927 770 HB2 GLU 92 1HB GLU 92 -1.396 11.416 -5.124 771 HB3 GLU 92 2HB GLU 92 -0.755 9.789 -5.237 772 HG2 GLU 92 1HG GLU 92 -1.003 11.682 -7.574 773 HG3 GLU 92 2HG GLU 92 0.461 11.444 -6.613 774 H LEU 93 H LEU 93 -4.095 11.081 -4.245 775 HA LEU 93 HA LEU 93 -3.901 8.894 -2.359 776 HB2 LEU 93 1HB LEU 93 -4.276 11.329 -1.792 777 HB3 LEU 93 2HB LEU 93 -5.912 11.165 -2.412 778 HG LEU 93 HG LEU 93 -6.390 9.465 -0.663 779 HD11 LEU 93 1HD1 LEU 93 -4.818 9.289 1.273 780 HD12 LEU 93 2HD1 LEU 93 -3.603 10.203 0.349 781 HD13 LEU 93 3HD1 LEU 93 -4.141 8.601 -0.212 782 HD21 LEU 93 1HD2 LEU 93 -6.479 11.093 1.189 783 HD22 LEU 93 2HD2 LEU 93 -6.936 11.845 -0.354 784 HD23 LEU 93 3HD2 LEU 93 -5.322 12.139 0.331 785 H GLU 94 H GLU 94 -6.296 9.954 -4.776 786 HA GLU 94 HA GLU 94 -8.301 8.006 -4.064 787 HB2 GLU 94 1HB GLU 94 -8.504 10.054 -5.622 788 HB3 GLU 94 2HB GLU 94 -7.758 9.043 -6.862 789 HG2 GLU 94 1HG GLU 94 -10.035 8.820 -7.286 790 HG3 GLU 94 2HG GLU 94 -9.663 7.360 -6.358 791 H GLN 95 H GLN 95 -5.392 7.936 -6.134 792 HA GLN 95 HA GLN 95 -5.960 5.239 -7.090 793 HB2 GLN 95 1HB GLN 95 -3.512 7.007 -7.266 794 HB3 GLN 95 2HB GLN 95 -3.626 5.392 -7.987 795 HG2 GLN 95 1HG GLN 95 -5.601 6.154 -9.314 796 HG3 GLN 95 2HG GLN 95 -5.393 7.781 -8.663 797 HE21 GLN 95 1HE2 GLN 95 -3.327 8.629 -11.325 798 HE22 GLN 95 2HE2 GLN 95 -4.657 9.039 -10.280 799 H VAL 96 H VAL 96 -4.304 6.579 -4.259 800 HA VAL 96 HA VAL 96 -2.966 4.110 -3.464 801 HB VAL 96 HB VAL 96 -3.973 6.562 -1.925 802 HG11 VAL 96 1HG1 VAL 96 -2.753 4.049 -0.727 803 HG12 VAL 96 2HG1 VAL 96 -2.785 5.616 0.105 804 HG13 VAL 96 3HG1 VAL 96 -4.303 4.811 -0.319 805 HG21 VAL 96 1HG2 VAL 96 -1.647 6.988 -1.518 806 HG22 VAL 96 2HG2 VAL 96 -1.190 5.445 -2.275 807 HG23 VAL 96 3HG2 VAL 96 -1.899 6.749 -3.249 808 H ARG 97 H ARG 97 -6.133 5.627 -2.902 809 HA ARG 97 HA ARG 97 -7.251 3.634 -1.216 810 HB2 ARG 97 1HB ARG 97 -8.199 5.899 -1.701 811 HB3 ARG 97 2HB ARG 97 -8.592 5.355 -3.320 812 HG2 ARG 97 1HG ARG 97 -10.092 3.619 -2.319 813 HG3 ARG 97 2HG ARG 97 -9.843 4.438 -0.752 814 HD2 ARG 97 1HD ARG 97 -10.548 6.578 -1.812 815 HD3 ARG 97 2HD ARG 97 -10.832 5.713 -3.330 816 HE ARG 97 HE ARG 97 -12.344 4.498 -1.242 817 HH11 ARG 97 1HH1 ARG 97 -12.312 7.409 -3.268 818 HH12 ARG 97 2HH1 ARG 97 -14.040 7.632 -3.107 819 HH21 ARG 97 1HH2 ARG 97 -14.538 4.853 -1.106 820 HH22 ARG 97 2HH2 ARG 97 -15.273 6.204 -1.928 821 H GLU 98 H GLU 98 -7.100 3.864 -4.812 822 HA GLU 98 HA GLU 98 -8.554 1.369 -5.071 823 HB2 GLU 98 1HB GLU 98 -8.456 3.216 -6.780 824 HB3 GLU 98 2HB GLU 98 -6.835 2.650 -7.198 825 HG2 GLU 98 1HG GLU 98 -8.545 1.725 -8.728 826 HG3 GLU 98 2HG GLU 98 -7.750 0.440 -7.812 827 H ALA 99 H ALA 99 -5.073 2.175 -4.852 828 HA ALA 99 HA ALA 99 -4.029 -0.386 -5.636 829 HB1 ALA 99 1HB ALA 99 -2.630 1.634 -5.244 830 HB2 ALA 99 2HB ALA 99 -2.968 1.506 -3.503 831 HB3 ALA 99 3HB ALA 99 -2.067 0.215 -4.327 832 H LEU 100 H LEU 100 -5.070 0.965 -2.486 833 HA LEU 100 HA LEU 100 -4.723 -1.435 -0.968 834 HB2 LEU 100 1HB LEU 100 -6.512 0.988 -0.655 835 HB3 LEU 100 2HB LEU 100 -6.483 -0.313 0.535 836 HG LEU 100 HG LEU 100 -3.944 1.117 -0.274 837 HD11 LEU 100 1HD1 LEU 100 -5.948 1.946 1.843 838 HD12 LEU 100 2HD1 LEU 100 -5.484 2.856 0.391 839 HD13 LEU 100 3HD1 LEU 100 -4.294 2.594 1.681 840 HD21 LEU 100 1HD2 LEU 100 -3.677 -0.963 0.983 841 HD22 LEU 100 2HD2 LEU 100 -4.823 -0.400 2.222 842 HD23 LEU 100 3HD2 LEU 100 -3.249 0.413 2.007 843 H ARG 101 H ARG 101 -7.557 -0.115 -2.732 844 HA ARG 101 HA ARG 101 -9.369 -2.170 -1.934 845 HB2 ARG 101 1HB ARG 101 -10.044 -0.054 -2.988 846 HB3 ARG 101 2HB ARG 101 -9.285 -0.550 -4.506 847 HG2 ARG 101 1HG ARG 101 -10.871 -2.198 -4.919 848 HG3 ARG 101 2HG ARG 101 -11.392 -2.247 -3.223 849 HD2 ARG 101 1HD ARG 101 -12.352 -0.003 -3.433 850 HD3 ARG 101 2HD ARG 101 -11.810 0.081 -5.121 851 HE ARG 101 HE ARG 101 -13.581 -1.231 -5.750 852 HH11 ARG 101 1HH1 ARG 101 -13.224 -1.617 -2.247 853 HH12 ARG 101 2HH1 ARG 101 -14.705 -2.523 -2.105 854 HH21 ARG 101 1HH2 ARG 101 -15.458 -2.392 -5.478 855 HH22 ARG 101 2HH2 ARG 101 -15.931 -2.970 -3.903 856 H LYS 102 H LYS 102 -7.006 -2.021 -4.618 857 HA LYS 102 HA LYS 102 -7.918 -4.476 -5.813 858 HB2 LYS 102 1HB LYS 102 -6.427 -2.701 -6.858 859 HB3 LYS 102 2HB LYS 102 -5.089 -3.373 -5.922 860 HG2 LYS 102 1HG LYS 102 -6.702 -5.284 -7.584 861 HG3 LYS 102 2HG LYS 102 -5.675 -4.126 -8.451 862 HD2 LYS 102 1HD LYS 102 -3.723 -4.872 -7.169 863 HD3 LYS 102 2HD LYS 102 -4.721 -6.044 -6.293 864 HE2 LYS 102 1HE LYS 102 -5.218 -7.212 -8.386 865 HE3 LYS 102 2HE LYS 102 -4.276 -6.008 -9.297 866 HZ1 LYS 102 1HZ LYS 102 -2.323 -6.692 -8.001 867 HZ2 LYS 102 2HZ LYS 102 -2.950 -7.970 -8.833 868 HZ3 LYS 102 3HZ LYS 102 -3.210 -7.840 -7.211 869 H ALA 103 H ALA 103 -5.560 -3.709 -3.218 870 HA ALA 103 HA ALA 103 -4.612 -6.411 -2.930 871 HB1 ALA 103 1HB ALA 103 -3.854 -5.667 -0.692 872 HB2 ALA 103 2HB ALA 103 -3.476 -4.428 -1.909 873 HB3 ALA 103 3HB ALA 103 -4.855 -4.210 -0.813 874 H GLU 104 H GLU 104 -7.241 -4.562 -1.362 875 HA GLU 104 HA GLU 104 -8.160 -6.585 0.405 876 HB2 GLU 104 1HB GLU 104 -9.584 -4.327 -1.035 877 HB3 GLU 104 2HB GLU 104 -10.396 -5.350 0.153 878 HG2 GLU 104 1HG GLU 104 -8.956 -4.586 1.926 879 HG3 GLU 104 2HG GLU 104 -7.890 -3.758 0.791 880 H LYS 105 H LYS 105 -9.008 -5.911 -3.023 881 HA LYS 105 HA LYS 105 -10.923 -8.084 -3.088 882 HB2 LYS 105 1HB LYS 105 -10.819 -6.021 -4.613 883 HB3 LYS 105 2HB LYS 105 -9.594 -6.923 -5.532 884 HG2 LYS 105 1HG LYS 105 -11.196 -8.791 -5.778 885 HG3 LYS 105 2HG LYS 105 -12.394 -7.870 -4.864 886 HD2 LYS 105 1HD LYS 105 -12.417 -6.161 -6.613 887 HD3 LYS 105 2HD LYS 105 -11.220 -7.111 -7.537 888 HE2 LYS 105 1HE LYS 105 -12.774 -9.052 -7.508 889 HE3 LYS 105 2HE LYS 105 -13.969 -8.075 -6.636 890 HZ1 LYS 105 1HZ LYS 105 -14.033 -6.588 -8.546 891 HZ2 LYS 105 2HZ LYS 105 -14.432 -8.127 -8.987 892 HZ3 LYS 105 3HZ LYS 105 -12.941 -7.523 -9.356 893 H GLU 106 H GLU 106 -7.442 -7.874 -3.723 894 HA GLU 106 HA GLU 106 -7.273 -10.415 -5.082 895 HB2 GLU 106 1HB GLU 106 -5.504 -8.643 -5.047 896 HB3 GLU 106 2HB GLU 106 -5.188 -9.017 -3.352 897 HG2 GLU 106 1HG GLU 106 -4.416 -11.214 -3.910 898 HG3 GLU 106 2HG GLU 106 -4.955 -11.037 -5.590 899 H LEU 107 H LEU 107 -7.021 -9.329 -1.666 900 HA LEU 107 HA LEU 107 -6.672 -11.983 -0.611 901 HB2 LEU 107 1HB LEU 107 -7.740 -9.418 0.592 902 HB3 LEU 107 2HB LEU 107 -7.485 -10.897 1.530 903 HG LEU 107 HG LEU 107 -5.282 -9.552 -0.078 904 HD11 LEU 107 1HD1 LEU 107 -6.057 -9.193 2.818 905 HD12 LEU 107 2HD1 LEU 107 -5.994 -7.954 1.551 906 HD13 LEU 107 3HD1 LEU 107 -4.493 -8.695 2.141 907 HD21 LEU 107 1HD2 LEU 107 -3.844 -10.885 1.561 908 HD22 LEU 107 2HD2 LEU 107 -4.730 -11.838 0.364 909 HD23 LEU 107 3HD2 LEU 107 -5.328 -11.741 2.032 910 H GLU 108 H GLU 108 -9.575 -10.050 -1.358 911 HA GLU 108 HA GLU 108 -11.530 -11.816 -0.273 912 HB2 GLU 108 1HB GLU 108 -12.026 -9.551 -1.185 913 HB3 GLU 108 2HB GLU 108 -11.618 -10.118 -2.796 914 HG2 GLU 108 1HG GLU 108 -13.519 -11.753 -2.644 915 HG3 GLU 108 2HG GLU 108 -14.000 -10.942 -1.143 916 H SER 109 H SER 109 -9.937 -11.730 -3.508 917 HA SER 109 HA SER 109 -11.317 -14.027 -4.500 918 HB2 SER 109 1HB SER 109 -9.735 -14.026 -6.303 919 HB3 SER 109 2HB SER 109 -10.162 -12.351 -5.915 920 HG SER 109 HG SER 109 -8.084 -12.676 -4.475 921 H HIS 110 H HIS 110 -8.407 -13.759 -2.463 922 HA HIS 110 HA HIS 110 -7.677 -16.562 -2.900 923 HB2 HIS 110 1HB HIS 110 -6.949 -14.594 -0.685 924 HB3 HIS 110 2HB HIS 110 -6.282 -16.220 -0.842 925 HD1 HIS 110 HD1 HIS 110 -5.603 -16.286 -3.897 926 HD2 HIS 110 HD2 HIS 110 -4.819 -13.076 -1.328 927 HE1 HIS 110 HE1 HIS 110 -3.710 -14.962 -4.911 928 H SER 111 H SER 111 -9.983 -14.827 -0.911 929 HA SER 111 HA SER 111 -10.334 -17.195 0.865 930 HB2 SER 111 1HB SER 111 -11.726 -15.744 2.217 931 HB3 SER 111 2HB SER 111 -10.187 -14.932 1.865 932 HG SER 111 HG SER 111 -11.617 -14.117 -0.063 933 H SER 112 H SER 112 -11.666 -15.938 -2.018 934 HA SER 112 HA SER 112 -14.445 -16.558 -1.529 935 HB2 SER 112 1HB SER 112 -12.883 -16.109 -4.093 936 HB3 SER 112 2HB SER 112 -14.648 -16.269 -4.005 937 HG SER 112 HG SER 112 -13.117 -14.320 -2.593 938 H TRP 113 H TRP 113 -11.928 -18.761 -1.924 939 HA TRP 113 HA TRP 113 -13.857 -20.833 -2.789 940 HB2 TRP 113 1HB TRP 113 -12.637 -19.851 -4.811 941 HB3 TRP 113 2HB TRP 113 -11.157 -20.519 -4.116 942 HD1 TRP 113 HD1 TRP 113 -14.415 -21.582 -5.808 943 HE1 TRP 113 HE1 TRP 113 -14.260 -23.991 -6.611 944 HE3 TRP 113 HE3 TRP 113 -9.975 -22.775 -3.582 945 HZ2 TRP 113 HZ2 TRP 113 -12.412 -26.155 -6.374 946 HZ3 TRP 113 HZ3 TRP 113 -9.040 -25.058 -3.920 947 HH2 TRP 113 HH2 TRP 113 -10.256 -26.733 -5.312 948 H TYR 114 H TYR 114 -13.265 -22.924 -2.089 949 HA TYR 114 HA TYR 114 -10.785 -23.168 -0.525 950 HB2 TYR 114 1HB TYR 114 -12.017 -24.031 1.433 951 HB3 TYR 114 2HB TYR 114 -12.430 -22.346 1.097 952 HD1 TYR 114 HD1 TYR 114 -13.664 -25.853 0.977 953 HD2 TYR 114 HD2 TYR 114 -14.685 -21.710 0.380 954 HE1 TYR 114 HE1 TYR 114 -16.080 -26.457 0.871 955 HE2 TYR 114 HE2 TYR 114 -17.103 -22.331 0.271 956 HH TYR 114 HH TYR 114 -18.209 -25.714 0.585 957 H ALA 115 H ALA 115 -10.517 -25.446 0.286 958 HA ALA 115 HA ALA 115 -11.943 -27.510 -1.295 959 HB1 ALA 115 1HB ALA 115 -9.732 -28.516 -1.957 960 HB2 ALA 115 2HB ALA 115 -10.036 -26.949 -2.736 961 HB3 ALA 115 3HB ALA 115 -8.919 -27.049 -1.357 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 9.869 38.822 1.492 2 H2 GLY 1 2H GLY 1 8.419 39.539 1.163 3 H3 GLY 1 3H GLY 1 8.783 38.069 0.508 4 HA2 GLY 1 1HA GLY 1 8.390 38.627 3.369 5 HA3 GLY 1 2HA GLY 1 7.234 37.799 2.305 6 H SER 2 H SER 2 7.533 36.082 4.089 7 HA SER 2 HA SER 2 10.002 34.655 4.249 8 HB2 SER 2 1HB SER 2 7.169 33.607 4.637 9 HB3 SER 2 2HB SER 2 8.662 32.916 5.306 10 HG SER 2 HG SER 2 7.714 34.164 6.883 11 HA PRO 3 HA PRO 3 9.884 32.438 0.409 12 HB2 PRO 3 1HB PRO 3 10.689 29.976 1.945 13 HB3 PRO 3 2HB PRO 3 11.477 30.726 0.521 14 HG2 PRO 3 1HG PRO 3 12.585 30.949 2.909 15 HG3 PRO 3 2HG PRO 3 12.499 32.377 1.824 16 HD2 PRO 3 1HD PRO 3 10.702 31.654 4.146 17 HD3 PRO 3 2HD PRO 3 11.505 33.220 3.768 18 H GLU 4 H GLU 4 8.629 30.824 -0.728 19 HA GLU 4 HA GLU 4 6.043 30.342 0.321 20 HB2 GLU 4 1HB GLU 4 7.521 28.904 -1.910 21 HB3 GLU 4 2HB GLU 4 5.777 28.834 -1.622 22 HG2 GLU 4 1HG GLU 4 7.392 31.304 -2.353 23 HG3 GLU 4 2HG GLU 4 6.296 30.413 -3.421 24 H PHE 5 H PHE 5 8.999 28.418 0.448 25 HA PHE 5 HA PHE 5 7.842 25.953 1.272 26 HB2 PHE 5 1HB PHE 5 10.532 27.145 2.042 27 HB3 PHE 5 2HB PHE 5 10.076 25.440 2.140 28 HD1 PHE 5 HD1 PHE 5 11.542 27.993 0.092 29 HD2 PHE 5 HD2 PHE 5 9.390 24.268 -0.081 30 HE1 PHE 5 HE1 PHE 5 12.315 27.661 -2.252 31 HE2 PHE 5 HE2 PHE 5 10.159 23.926 -2.423 32 HZ PHE 5 HZ PHE 5 11.622 25.626 -3.517 33 H ASN 6 H ASN 6 8.589 28.933 3.046 34 HA ASN 6 HA ASN 6 8.020 27.652 5.642 35 HB2 ASN 6 1HB ASN 6 9.717 29.398 5.591 36 HB3 ASN 6 2HB ASN 6 8.587 30.525 4.827 37 HD21 ASN 6 1HD2 ASN 6 8.180 29.691 8.818 38 HD22 ASN 6 2HD2 ASN 6 8.962 28.537 7.767 39 H ARG 7 H ARG 7 6.512 29.819 3.268 40 HA ARG 7 HA ARG 7 4.220 30.622 4.728 41 HB2 ARG 7 1HB ARG 7 5.017 31.453 2.483 42 HB3 ARG 7 2HB ARG 7 4.449 29.944 1.772 43 HG2 ARG 7 1HG ARG 7 2.131 30.514 2.504 44 HG3 ARG 7 2HG ARG 7 2.749 32.098 3.037 45 HD2 ARG 7 1HD ARG 7 3.641 32.465 0.732 46 HD3 ARG 7 2HD ARG 7 2.920 30.925 0.238 47 HE ARG 7 HE ARG 7 0.909 32.580 1.392 48 HH11 ARG 7 1HH1 ARG 7 2.851 32.325 -1.559 49 HH12 ARG 7 2HH1 ARG 7 1.662 33.194 -2.504 50 HH21 ARG 7 1HH2 ARG 7 -0.561 33.644 0.102 51 HH22 ARG 7 2HH2 ARG 7 -0.227 33.913 -1.586 52 H TYR 8 H TYR 8 4.838 27.689 2.811 53 HA TYR 8 HA TYR 8 2.150 26.660 3.571 54 HB2 TYR 8 1HB TYR 8 4.146 25.722 1.485 55 HB3 TYR 8 2HB TYR 8 2.534 25.051 1.750 56 HD1 TYR 8 HD1 TYR 8 0.714 27.262 1.956 57 HD2 TYR 8 HD2 TYR 8 4.227 26.977 -0.507 58 HE1 TYR 8 HE1 TYR 8 -0.273 28.887 0.371 59 HE2 TYR 8 HE2 TYR 8 3.231 28.638 -2.089 60 HH TYR 8 HH TYR 8 -0.067 29.940 -1.613 61 H SER 9 H SER 9 4.992 26.619 5.059 62 HA SER 9 HA SER 9 5.844 23.942 5.188 63 HB2 SER 9 1HB SER 9 6.822 24.545 7.389 64 HB3 SER 9 2HB SER 9 7.156 25.757 6.144 65 HG SER 9 HG SER 9 5.753 27.145 7.064 66 H LYS 10 H LYS 10 3.312 25.540 7.131 67 HA LYS 10 HA LYS 10 3.078 23.441 9.009 68 HB2 LYS 10 1HB LYS 10 1.184 24.499 9.841 69 HB3 LYS 10 2HB LYS 10 2.185 25.802 9.217 70 HG2 LYS 10 1HG LYS 10 -0.302 24.665 7.850 71 HG3 LYS 10 2HG LYS 10 -0.248 26.136 8.813 72 HD2 LYS 10 1HD LYS 10 1.308 27.167 7.162 73 HD3 LYS 10 2HD LYS 10 1.206 25.695 6.173 74 HE2 LYS 10 1HE LYS 10 -1.276 25.997 6.050 75 HE3 LYS 10 2HE LYS 10 -1.090 27.548 6.896 76 HZ1 LYS 10 1HZ LYS 10 0.431 28.185 5.019 77 HZ2 LYS 10 2HZ LYS 10 -1.148 27.956 4.568 78 HZ3 LYS 10 3HZ LYS 10 -0.033 26.799 4.237 79 H GLU 11 H GLU 11 1.331 23.872 5.910 80 HA GLU 11 HA GLU 11 -0.245 21.491 6.511 81 HB2 GLU 11 1HB GLU 11 -0.786 23.739 5.120 82 HB3 GLU 11 2HB GLU 11 -0.307 22.664 3.802 83 HG2 GLU 11 1HG GLU 11 -2.669 22.474 4.029 84 HG3 GLU 11 2HG GLU 11 -1.970 20.984 4.679 85 H HIS 12 H HIS 12 2.542 22.408 4.460 86 HA HIS 12 HA HIS 12 2.626 19.934 3.005 87 HB2 HIS 12 1HB HIS 12 4.054 21.765 2.310 88 HB3 HIS 12 2HB HIS 12 4.831 21.825 3.897 89 HD1 HIS 12 HD1 HIS 12 4.610 19.431 0.869 90 HD2 HIS 12 HD2 HIS 12 7.011 20.262 4.191 91 HE1 HIS 12 HE1 HIS 12 6.659 17.983 0.680 92 H MET 13 H MET 13 4.004 20.934 6.196 93 HA MET 13 HA MET 13 5.237 18.393 6.689 94 HB2 MET 13 1HB MET 13 5.720 20.497 7.952 95 HB3 MET 13 2HB MET 13 4.120 20.381 8.697 96 HG2 MET 13 1HG MET 13 4.784 18.174 9.665 97 HG3 MET 13 2HG MET 13 6.405 18.406 8.988 98 HE1 MET 13 1HE MET 13 3.915 19.151 11.825 99 HE2 MET 13 2HE MET 13 4.513 20.654 12.567 100 HE3 MET 13 3HE MET 13 3.733 20.702 10.969 101 H LYS 14 H LYS 14 2.004 19.714 7.517 102 HA LYS 14 HA LYS 14 1.102 17.492 9.039 103 HB2 LYS 14 1HB LYS 14 -0.012 19.729 8.826 104 HB3 LYS 14 2HB LYS 14 -0.516 19.289 7.193 105 HG2 LYS 14 1HG LYS 14 -1.736 17.307 8.233 106 HG3 LYS 14 2HG LYS 14 -1.424 18.059 9.809 107 HD2 LYS 14 1HD LYS 14 -2.879 19.376 7.475 108 HD3 LYS 14 2HD LYS 14 -3.673 18.619 8.866 109 HE2 LYS 14 1HE LYS 14 -2.563 20.257 10.381 110 HE3 LYS 14 2HE LYS 14 -1.803 21.028 8.968 111 HZ1 LYS 14 1HZ LYS 14 -4.721 20.816 9.407 112 HZ2 LYS 14 2HZ LYS 14 -3.987 21.525 8.105 113 HZ3 LYS 14 3HZ LYS 14 -3.811 22.181 9.607 114 H LYS 15 H LYS 15 0.808 18.156 5.509 115 HA LYS 15 HA LYS 15 -0.571 15.678 5.010 116 HB2 LYS 15 1HB LYS 15 -0.050 17.928 3.500 117 HB3 LYS 15 2HB LYS 15 1.039 16.729 2.780 118 HG2 LYS 15 1HG LYS 15 -1.028 15.173 2.816 119 HG3 LYS 15 2HG LYS 15 -1.968 16.654 3.043 120 HD2 LYS 15 1HD LYS 15 -0.974 17.575 0.952 121 HD3 LYS 15 2HD LYS 15 -0.072 16.059 0.732 122 HE2 LYS 15 1HE LYS 15 -3.103 16.359 0.806 123 HE3 LYS 15 2HE LYS 15 -2.119 16.057 -0.635 124 HZ1 LYS 15 1HZ LYS 15 -1.551 13.908 0.210 125 HZ2 LYS 15 2HZ LYS 15 -3.201 14.061 0.332 126 HZ3 LYS 15 3HZ LYS 15 -2.242 14.194 1.669 127 H MET 16 H MET 16 2.891 16.649 4.772 128 HA MET 16 HA MET 16 3.854 14.204 3.746 129 HB2 MET 16 1HB MET 16 5.332 16.085 3.932 130 HB3 MET 16 2HB MET 16 5.069 16.207 5.673 131 HG2 MET 16 1HG MET 16 6.308 14.186 6.093 132 HG3 MET 16 2HG MET 16 6.415 13.834 4.368 133 HE1 MET 16 1HE MET 16 7.704 15.949 7.357 134 HE2 MET 16 2HE MET 16 8.801 17.126 6.597 135 HE3 MET 16 3HE MET 16 7.044 17.286 6.384 136 H MET 17 H MET 17 3.219 15.133 7.177 137 HA MET 17 HA MET 17 4.151 12.654 8.252 138 HB2 MET 17 1HB MET 17 2.105 14.670 9.222 139 HB3 MET 17 2HB MET 17 2.515 13.219 10.144 140 HG2 MET 17 1HG MET 17 4.843 13.914 10.291 141 HG3 MET 17 2HG MET 17 4.509 15.343 9.297 142 HE1 MET 17 1HE MET 17 5.851 15.248 12.340 143 HE2 MET 17 2HE MET 17 5.735 16.706 11.326 144 HE3 MET 17 3HE MET 17 5.115 16.730 12.993 145 H LYS 18 H LYS 18 0.799 13.666 7.325 146 HA LYS 18 HA LYS 18 -0.264 11.095 8.038 147 HB2 LYS 18 1HB LYS 18 -1.373 13.500 7.587 148 HB3 LYS 18 2HB LYS 18 -1.665 12.776 5.999 149 HG2 LYS 18 1HG LYS 18 -3.609 12.320 7.302 150 HG3 LYS 18 2HG LYS 18 -2.699 10.799 7.235 151 HD2 LYS 18 1HD LYS 18 -1.615 11.856 9.486 152 HD3 LYS 18 2HD LYS 18 -3.204 12.629 9.555 153 HE2 LYS 18 1HE LYS 18 -4.318 10.490 9.564 154 HE3 LYS 18 2HE LYS 18 -2.810 9.644 9.141 155 HZ1 LYS 18 1HZ LYS 18 -3.250 11.104 11.678 156 HZ2 LYS 18 2HZ LYS 18 -1.876 10.285 11.246 157 HZ3 LYS 18 3HZ LYS 18 -3.278 9.461 11.497 158 H ASP 19 H ASP 19 0.909 12.387 4.946 159 HA ASP 19 HA ASP 19 -0.085 10.161 3.401 160 HB2 ASP 19 1HB ASP 19 2.077 12.219 2.838 161 HB3 ASP 19 2HB ASP 19 1.521 11.012 1.668 162 H LEU 20 H LEU 20 2.941 10.790 5.246 163 HA LEU 20 HA LEU 20 4.089 8.326 4.142 164 HB2 LEU 20 1HB LEU 20 5.005 10.090 6.416 165 HB3 LEU 20 2HB LEU 20 5.833 8.613 5.903 166 HG LEU 20 HG LEU 20 5.378 11.081 4.214 167 HD11 LEU 20 1HD1 LEU 20 7.098 11.330 5.949 168 HD12 LEU 20 2HD1 LEU 20 7.812 11.321 4.323 169 HD13 LEU 20 3HD1 LEU 20 7.919 9.868 5.345 170 HD21 LEU 20 1HD2 LEU 20 5.300 9.243 2.655 171 HD22 LEU 20 2HD2 LEU 20 6.662 8.428 3.468 172 HD23 LEU 20 3HD2 LEU 20 6.930 9.929 2.557 173 H GLU 21 H GLU 21 2.049 9.160 6.890 174 HA GLU 21 HA GLU 21 2.341 6.585 8.204 175 HB2 GLU 21 1HB GLU 21 0.018 8.538 8.017 176 HB3 GLU 21 2HB GLU 21 -0.105 7.003 8.863 177 HG2 GLU 21 1HG GLU 21 1.637 7.681 10.423 178 HG3 GLU 21 2HG GLU 21 1.849 9.208 9.553 179 H GLY 22 H GLY 22 0.427 7.941 5.507 180 HA2 GLY 22 1HA GLY 22 -1.026 5.560 4.897 181 HA3 GLY 22 2HA GLY 22 -0.693 6.900 3.786 182 H LEU 23 H LEU 23 2.172 6.755 3.808 183 HA LEU 23 HA LEU 23 2.601 4.714 1.859 184 HB2 LEU 23 1HB LEU 23 3.909 6.919 2.480 185 HB3 LEU 23 2HB LEU 23 4.883 5.829 3.465 186 HG LEU 23 HG LEU 23 4.360 5.439 0.492 187 HD11 LEU 23 1HD1 LEU 23 6.571 6.383 0.101 188 HD12 LEU 23 2HD1 LEU 23 6.752 6.733 1.835 189 HD13 LEU 23 3HD1 LEU 23 5.503 7.566 0.873 190 HD21 LEU 23 1HD2 LEU 23 6.512 4.087 0.661 191 HD22 LEU 23 2HD2 LEU 23 5.114 3.374 1.476 192 HD23 LEU 23 3HD2 LEU 23 6.366 4.203 2.429 193 H HIS 24 H HIS 24 3.239 4.873 5.402 194 HA HIS 24 HA HIS 24 4.349 2.185 5.448 195 HB2 HIS 24 1HB HIS 24 3.267 3.987 7.618 196 HB3 HIS 24 2HB HIS 24 3.838 2.340 7.922 197 HD1 HIS 24 HD1 HIS 24 6.431 1.830 6.989 198 HD2 HIS 24 HD2 HIS 24 5.317 5.830 7.718 199 HE1 HIS 24 HE1 HIS 24 8.576 3.180 7.213 200 H ARG 25 H ARG 25 1.048 3.472 5.480 201 HA ARG 25 HA ARG 25 -0.079 0.889 6.247 202 HB2 ARG 25 1HB ARG 25 -1.288 3.309 4.895 203 HB3 ARG 25 2HB ARG 25 -2.169 1.810 5.170 204 HG2 ARG 25 1HG ARG 25 -1.772 2.012 7.597 205 HG3 ARG 25 2HG ARG 25 -0.932 3.545 7.327 206 HD2 ARG 25 1HD ARG 25 -3.203 4.023 7.989 207 HD3 ARG 25 2HD ARG 25 -3.021 4.457 6.281 208 HE ARG 25 HE ARG 25 -4.487 2.110 7.387 209 HH11 ARG 25 1HH1 ARG 25 -3.716 4.074 4.547 210 HH12 ARG 25 2HH1 ARG 25 -4.945 3.313 3.579 211 HH21 ARG 25 1HH2 ARG 25 -6.017 1.182 6.085 212 HH22 ARG 25 2HH2 ARG 25 -6.223 1.702 4.435 213 H ALA 26 H ALA 26 1.171 2.294 3.244 214 HA ALA 26 HA ALA 26 -0.043 0.237 1.568 215 HB1 ALA 26 1HB ALA 26 2.451 1.918 1.029 216 HB2 ALA 26 2HB ALA 26 1.492 1.016 -0.163 217 HB3 ALA 26 3HB ALA 26 0.787 2.427 0.657 218 H GLU 27 H GLU 27 2.957 0.690 3.411 219 HA GLU 27 HA GLU 27 4.306 -1.715 2.633 220 HB2 GLU 27 1HB GLU 27 5.133 0.357 3.879 221 HB3 GLU 27 2HB GLU 27 4.402 -0.324 5.323 222 HG2 GLU 27 1HG GLU 27 5.910 -2.186 5.291 223 HG3 GLU 27 2HG GLU 27 6.549 -1.684 3.708 224 H GLN 28 H GLN 28 2.023 -0.902 5.263 225 HA GLN 28 HA GLN 28 1.796 -3.542 6.335 226 HB2 GLN 28 1HB GLN 28 -0.163 -1.228 6.234 227 HB3 GLN 28 2HB GLN 28 -0.541 -2.770 6.989 228 HG2 GLN 28 1HG GLN 28 1.342 -2.495 8.532 229 HG3 GLN 28 2HG GLN 28 1.697 -0.917 7.815 230 HE21 GLN 28 1HE2 GLN 28 -1.531 -1.418 10.281 231 HE22 GLN 28 2HE2 GLN 28 -0.741 -2.798 9.552 232 H SER 29 H SER 29 0.037 -1.872 3.612 233 HA SER 29 HA SER 29 -1.772 -4.018 3.286 234 HB2 SER 29 1HB SER 29 -2.348 -3.150 1.164 235 HB3 SER 29 2HB SER 29 -1.988 -1.766 2.209 236 HG SER 29 HG SER 29 0.234 -1.986 1.194 237 H LEU 30 H LEU 30 1.528 -3.648 1.842 238 HA LEU 30 HA LEU 30 1.286 -6.139 0.324 239 HB2 LEU 30 1HB LEU 30 3.836 -6.076 0.478 240 HB3 LEU 30 2HB LEU 30 2.975 -4.956 -0.530 241 HG LEU 30 HG LEU 30 3.464 -3.525 1.788 242 HD11 LEU 30 1HD1 LEU 30 5.903 -5.145 1.009 243 HD12 LEU 30 2HD1 LEU 30 5.001 -5.275 2.532 244 HD13 LEU 30 3HD1 LEU 30 5.874 -3.785 2.159 245 HD21 LEU 30 1HD2 LEU 30 3.594 -2.436 -0.298 246 HD22 LEU 30 2HD2 LEU 30 4.837 -3.546 -0.899 247 HD23 LEU 30 3HD2 LEU 30 5.225 -2.367 0.375 248 H HIS 31 H HIS 31 2.703 -5.371 3.654 249 HA HIS 31 HA HIS 31 3.272 -8.214 3.896 250 HB2 HIS 31 1HB HIS 31 3.370 -5.980 5.896 251 HB3 HIS 31 2HB HIS 31 3.744 -7.666 6.291 252 HD1 HIS 31 HD1 HIS 31 5.199 -8.232 3.420 253 HD2 HIS 31 HD2 HIS 31 6.029 -5.164 6.142 254 HE1 HIS 31 HE1 HIS 31 7.593 -7.517 3.033 255 H ASP 32 H ASP 32 0.432 -6.346 4.722 256 HA ASP 32 HA ASP 32 -0.791 -8.405 6.365 257 HB2 ASP 32 1HB ASP 32 -2.007 -6.163 4.677 258 HB3 ASP 32 2HB ASP 32 -2.944 -7.242 5.720 259 H LEU 33 H LEU 33 -0.550 -7.583 2.888 260 HA LEU 33 HA LEU 33 -2.398 -9.570 1.960 261 HB2 LEU 33 1HB LEU 33 -0.129 -8.019 0.753 262 HB3 LEU 33 2HB LEU 33 -0.604 -9.491 -0.063 263 HG LEU 33 HG LEU 33 -2.664 -7.399 0.639 264 HD11 LEU 33 1HD1 LEU 33 -2.229 -6.685 -1.865 265 HD12 LEU 33 2HD1 LEU 33 -0.613 -7.349 -1.572 266 HD13 LEU 33 3HD1 LEU 33 -1.217 -6.028 -0.567 267 HD21 LEU 33 1HD2 LEU 33 -3.451 -9.616 -0.108 268 HD22 LEU 33 2HD2 LEU 33 -2.474 -9.471 -1.587 269 HD23 LEU 33 3HD2 LEU 33 -3.835 -8.363 -1.304 270 H GLN 34 H GLN 34 1.129 -9.640 2.698 271 HA GLN 34 HA GLN 34 1.462 -12.407 1.998 272 HB2 GLN 34 1HB GLN 34 2.940 -10.511 3.816 273 HB3 GLN 34 2HB GLN 34 3.255 -12.240 3.949 274 HG2 GLN 34 1HG GLN 34 4.864 -11.660 2.464 275 HG3 GLN 34 2HG GLN 34 3.554 -12.104 1.365 276 HE21 GLN 34 1HE2 GLN 34 3.228 -8.952 -0.031 277 HE22 GLN 34 2HE2 GLN 34 2.661 -10.605 0.031 278 H GLU 35 H GLU 35 0.627 -10.878 5.159 279 HA GLU 35 HA GLU 35 0.626 -13.328 6.624 280 HB2 GLU 35 1HB GLU 35 0.631 -10.972 7.540 281 HB3 GLU 35 2HB GLU 35 -1.090 -10.875 7.160 282 HG2 GLU 35 1HG GLU 35 -0.491 -13.286 8.676 283 HG3 GLU 35 2HG GLU 35 0.123 -11.853 9.509 284 H ARG 36 H ARG 36 -1.998 -11.589 4.937 285 HA ARG 36 HA ARG 36 -4.049 -13.446 5.723 286 HB2 ARG 36 1HB ARG 36 -3.844 -11.479 3.423 287 HB3 ARG 36 2HB ARG 36 -5.298 -12.415 3.789 288 HG2 ARG 36 1HG ARG 36 -5.638 -11.315 5.868 289 HG3 ARG 36 2HG ARG 36 -4.005 -10.633 5.863 290 HD2 ARG 36 1HD ARG 36 -5.511 -8.864 5.298 291 HD3 ARG 36 2HD ARG 36 -4.616 -9.297 3.829 292 HE ARG 36 HE ARG 36 -7.027 -10.794 3.883 293 HH11 ARG 36 1HH1 ARG 36 -6.015 -7.441 3.474 294 HH12 ARG 36 2HH1 ARG 36 -7.428 -7.025 2.540 295 HH21 ARG 36 1HH2 ARG 36 -8.799 -10.200 2.663 296 HH22 ARG 36 2HH2 ARG 36 -8.976 -8.567 2.088 297 H LEU 37 H LEU 37 -1.792 -13.332 2.948 298 HA LEU 37 HA LEU 37 -2.992 -15.527 1.508 299 HB2 LEU 37 1HB LEU 37 -1.264 -13.885 0.680 300 HB3 LEU 37 2HB LEU 37 -0.077 -14.681 1.681 301 HG LEU 37 HG LEU 37 -1.415 -15.828 -0.780 302 HD11 LEU 37 1HD1 LEU 37 1.427 -14.910 -0.191 303 HD12 LEU 37 2HD1 LEU 37 0.219 -13.974 -1.095 304 HD13 LEU 37 3HD1 LEU 37 0.818 -15.515 -1.746 305 HD21 LEU 37 1HD2 LEU 37 0.382 -17.592 -0.651 306 HD22 LEU 37 2HD2 LEU 37 -0.873 -17.745 0.583 307 HD23 LEU 37 3HD2 LEU 37 0.712 -17.064 1.016 308 H HIS 38 H HIS 38 -0.403 -15.250 3.972 309 HA HIS 38 HA HIS 38 0.310 -17.980 4.031 310 HB2 HIS 38 1HB HIS 38 1.317 -15.861 5.253 311 HB3 HIS 38 2HB HIS 38 0.287 -16.395 6.583 312 HD1 HIS 38 HD1 HIS 38 3.490 -17.112 4.854 313 HD2 HIS 38 HD2 HIS 38 0.964 -19.040 7.557 314 HE1 HIS 38 HE1 HIS 38 4.806 -19.026 5.852 315 H LYS 39 H LYS 39 -2.164 -16.226 5.992 316 HA LYS 39 HA LYS 39 -3.069 -18.613 7.350 317 HB2 LYS 39 1HB LYS 39 -4.387 -15.957 6.715 318 HB3 LYS 39 2HB LYS 39 -5.198 -17.230 7.637 319 HG2 LYS 39 1HG LYS 39 -3.540 -17.127 9.375 320 HG3 LYS 39 2HG LYS 39 -2.559 -15.982 8.431 321 HD2 LYS 39 1HD LYS 39 -4.386 -14.357 8.477 322 HD3 LYS 39 2HD LYS 39 -5.386 -15.489 9.418 323 HE2 LYS 39 1HE LYS 39 -3.918 -15.363 11.296 324 HE3 LYS 39 2HE LYS 39 -2.660 -14.541 10.338 325 HZ1 LYS 39 1HZ LYS 39 -3.909 -12.984 11.700 326 HZ2 LYS 39 2HZ LYS 39 -5.317 -13.390 10.933 327 HZ3 LYS 39 3HZ LYS 39 -4.087 -12.654 10.099 328 H ALA 40 H ALA 40 -4.136 -16.960 4.361 329 HA ALA 40 HA ALA 40 -6.421 -18.544 3.878 330 HB1 ALA 40 1HB ALA 40 -4.530 -17.243 1.894 331 HB2 ALA 40 2HB ALA 40 -6.147 -17.869 1.514 332 HB3 ALA 40 3HB ALA 40 -5.968 -16.500 2.629 333 H GLN 41 H GLN 41 -2.922 -19.194 3.112 334 HA GLN 41 HA GLN 41 -3.728 -21.816 2.054 335 HB2 GLN 41 1HB GLN 41 -1.596 -20.698 1.435 336 HB3 GLN 41 2HB GLN 41 -1.060 -20.802 3.108 337 HG2 GLN 41 1HG GLN 41 -1.185 -23.297 2.946 338 HG3 GLN 41 2HG GLN 41 -1.597 -23.126 1.231 339 HE21 GLN 41 1HE2 GLN 41 2.203 -22.171 2.508 340 HE22 GLN 41 2HE2 GLN 41 0.850 -22.009 3.602 341 H GLU 42 H GLU 42 -2.008 -20.793 5.097 342 HA GLU 42 HA GLU 42 -1.675 -23.348 6.099 343 HB2 GLU 42 1HB GLU 42 -0.616 -21.241 6.904 344 HB3 GLU 42 2HB GLU 42 -2.109 -20.865 7.778 345 HG2 GLU 42 1HG GLU 42 -1.844 -22.934 9.107 346 HG3 GLU 42 2HG GLU 42 -0.366 -23.319 8.209 347 H GLU 43 H GLU 43 -4.390 -21.175 7.070 348 HA GLU 43 HA GLU 43 -5.581 -23.573 8.361 349 HB2 GLU 43 1HB GLU 43 -7.215 -22.048 9.339 350 HB3 GLU 43 2HB GLU 43 -5.555 -21.619 9.759 351 HG2 GLU 43 1HG GLU 43 -5.583 -19.778 8.155 352 HG3 GLU 43 2HG GLU 43 -7.222 -20.212 7.642 353 H HIS 44 H HIS 44 -6.059 -21.379 5.602 354 HA HIS 44 HA HIS 44 -8.774 -22.514 5.321 355 HB2 HIS 44 1HB HIS 44 -7.820 -19.966 5.055 356 HB3 HIS 44 2HB HIS 44 -8.061 -20.474 3.380 357 HD1 HIS 44 HD1 HIS 44 -9.896 -19.170 6.261 358 HD2 HIS 44 HD2 HIS 44 -10.770 -21.548 2.952 359 HE1 HIS 44 HE1 HIS 44 -12.413 -19.151 5.981 360 H ARG 45 H ARG 45 -5.776 -23.035 3.823 361 HA ARG 45 HA ARG 45 -5.120 -23.778 1.785 362 HB2 ARG 45 1HB ARG 45 -5.832 -26.008 1.217 363 HB3 ARG 45 2HB ARG 45 -5.501 -25.806 2.919 364 HG2 ARG 45 1HG ARG 45 -8.273 -25.468 2.755 365 HG3 ARG 45 2HG ARG 45 -7.924 -26.728 1.578 366 HD2 ARG 45 1HD ARG 45 -8.353 -27.774 3.704 367 HD3 ARG 45 2HD ARG 45 -6.622 -27.931 3.371 368 HE ARG 45 HE ARG 45 -7.891 -26.055 5.328 369 HH11 ARG 45 1HH1 ARG 45 -4.932 -27.649 4.194 370 HH12 ARG 45 2HH1 ARG 45 -4.019 -27.076 5.565 371 HH21 ARG 45 1HH2 ARG 45 -6.662 -25.413 7.013 372 HH22 ARG 45 2HH2 ARG 45 -4.965 -25.837 7.115 373 H THR 46 H THR 46 -6.622 -21.623 1.332 374 HA THR 46 HA THR 46 -8.030 -22.288 -1.212 375 HB THR 46 HB THR 46 -8.708 -19.876 -1.125 376 HG1 THR 46 HG1 THR 46 -7.722 -19.977 1.542 377 HG21 THR 46 1HG2 THR 46 -10.367 -20.090 0.594 378 HG22 THR 46 2HG2 THR 46 -9.445 -21.394 1.365 379 HG23 THR 46 3HG2 THR 46 -10.163 -21.648 -0.236 380 H VAL 47 H VAL 47 -7.010 -19.265 -1.703 381 HA VAL 47 HA VAL 47 -5.453 -18.490 -3.190 382 HB VAL 47 HB VAL 47 -3.052 -18.455 -2.304 383 HG11 VAL 47 1HG1 VAL 47 -4.385 -16.594 -1.823 384 HG12 VAL 47 2HG1 VAL 47 -5.365 -17.476 -0.630 385 HG13 VAL 47 3HG1 VAL 47 -3.671 -17.058 -0.275 386 HG21 VAL 47 1HG2 VAL 47 -4.275 -19.829 0.121 387 HG22 VAL 47 2HG2 VAL 47 -3.111 -20.567 -1.003 388 HG23 VAL 47 3HG2 VAL 47 -2.627 -19.176 -0.013 389 H GLU 48 H GLU 48 -6.362 -20.807 -4.128 390 HA GLU 48 HA GLU 48 -5.909 -22.508 -5.601 391 HB2 GLU 48 1HB GLU 48 -3.571 -20.683 -6.278 392 HB3 GLU 48 2HB GLU 48 -4.224 -21.962 -7.295 393 HG2 GLU 48 1HG GLU 48 -5.190 -20.032 -8.188 394 HG3 GLU 48 2HG GLU 48 -6.470 -20.724 -7.182 395 H VAL 49 H VAL 49 -5.390 -23.609 -3.409 396 HA VAL 49 HA VAL 49 -2.920 -24.077 -2.367 397 HB VAL 49 HB VAL 49 -5.140 -24.832 -1.472 398 HG11 VAL 49 1HG1 VAL 49 -5.901 -26.046 -3.525 399 HG12 VAL 49 2HG1 VAL 49 -4.710 -27.317 -3.178 400 HG13 VAL 49 3HG1 VAL 49 -6.041 -27.003 -2.038 401 HG21 VAL 49 1HG2 VAL 49 -3.014 -25.478 -0.393 402 HG22 VAL 49 2HG2 VAL 49 -4.256 -26.734 -0.218 403 HG23 VAL 49 3HG2 VAL 49 -2.952 -26.948 -1.401 404 H GLU 50 H GLU 50 -1.269 -25.406 -2.479 405 HA GLU 50 HA GLU 50 0.421 -26.632 -3.336 406 HB2 GLU 50 1HB GLU 50 -1.570 -27.898 -5.239 407 HB3 GLU 50 2HB GLU 50 0.088 -28.421 -4.943 408 HG2 GLU 50 1HG GLU 50 -0.559 -28.704 -2.496 409 HG3 GLU 50 2HG GLU 50 -2.242 -28.491 -3.008 410 H LYS 51 H LYS 51 -1.659 -25.183 -5.824 411 HA LYS 51 HA LYS 51 0.774 -24.550 -7.451 412 HB2 LYS 51 1HB LYS 51 -0.859 -23.983 -9.226 413 HB3 LYS 51 2HB LYS 51 -1.069 -25.640 -8.642 414 HG2 LYS 51 1HG LYS 51 -2.927 -24.845 -7.184 415 HG3 LYS 51 2HG LYS 51 -2.761 -23.248 -7.909 416 HD2 LYS 51 1HD LYS 51 -3.367 -24.160 -10.093 417 HD3 LYS 51 2HD LYS 51 -3.466 -25.793 -9.380 418 HE2 LYS 51 1HE LYS 51 -5.174 -24.949 -7.766 419 HE3 LYS 51 2HE LYS 51 -5.136 -23.375 -8.572 420 HZ1 LYS 51 1HZ LYS 51 -6.969 -24.907 -9.203 421 HZ2 LYS 51 2HZ LYS 51 -5.866 -25.866 -9.964 422 HZ3 LYS 51 3HZ LYS 51 -6.100 -24.314 -10.484 423 H VAL 52 H VAL 52 0.028 -23.361 -4.854 424 HA VAL 52 HA VAL 52 -1.182 -20.842 -4.992 425 HB VAL 52 HB VAL 52 1.222 -21.548 -3.203 426 HG11 VAL 52 1HG1 VAL 52 -1.131 -19.634 -2.792 427 HG12 VAL 52 2HG1 VAL 52 0.022 -20.064 -1.516 428 HG13 VAL 52 3HG1 VAL 52 0.576 -19.189 -2.970 429 HG21 VAL 52 1HG2 VAL 52 -0.316 -23.374 -2.981 430 HG22 VAL 52 2HG2 VAL 52 -0.502 -22.347 -1.555 431 HG23 VAL 52 3HG2 VAL 52 -1.705 -22.267 -2.860 432 H HIS 53 H HIS 53 2.186 -21.756 -5.654 433 HA HIS 53 HA HIS 53 4.008 -20.530 -6.397 434 HB2 HIS 53 1HB HIS 53 1.787 -19.227 -8.014 435 HB3 HIS 53 2HB HIS 53 3.509 -18.930 -8.266 436 HD1 HIS 53 HD1 HIS 53 0.860 -21.538 -8.856 437 HD2 HIS 53 HD2 HIS 53 4.963 -20.991 -9.428 438 HE1 HIS 53 HE1 HIS 53 1.642 -23.342 -10.463 439 H LEU 54 H LEU 54 3.401 -19.695 -3.937 440 HA LEU 54 HA LEU 54 2.492 -17.094 -3.593 441 HB2 LEU 54 1HB LEU 54 3.283 -17.137 -1.428 442 HB3 LEU 54 2HB LEU 54 2.819 -18.764 -1.824 443 HG LEU 54 HG LEU 54 4.590 -18.949 -0.373 444 HD11 LEU 54 1HD1 LEU 54 6.388 -20.067 -1.534 445 HD12 LEU 54 2HD1 LEU 54 5.936 -19.304 -3.066 446 HD13 LEU 54 3HD1 LEU 54 4.839 -20.477 -2.295 447 HD21 LEU 54 1HD2 LEU 54 6.292 -17.032 -1.993 448 HD22 LEU 54 2HD2 LEU 54 6.714 -17.820 -0.466 449 HD23 LEU 54 3HD2 LEU 54 5.407 -16.620 -0.508 450 H GLU 55 H GLU 55 5.717 -18.044 -4.709 451 HA GLU 55 HA GLU 55 7.004 -15.550 -4.210 452 HB2 GLU 55 1HB GLU 55 7.353 -17.601 -6.431 453 HB3 GLU 55 2HB GLU 55 8.421 -16.211 -6.212 454 HG2 GLU 55 1HG GLU 55 7.963 -18.442 -4.207 455 HG3 GLU 55 2HG GLU 55 9.383 -18.243 -5.249 456 H LYS 56 H LYS 56 5.034 -16.678 -6.984 457 HA LYS 56 HA LYS 56 5.408 -14.265 -8.544 458 HB2 LYS 56 1HB LYS 56 3.140 -16.302 -8.594 459 HB3 LYS 56 2HB LYS 56 3.422 -15.057 -9.812 460 HG2 LYS 56 1HG LYS 56 5.554 -16.135 -10.425 461 HG3 LYS 56 2HG LYS 56 5.269 -17.382 -9.186 462 HD2 LYS 56 1HD LYS 56 3.100 -17.932 -10.310 463 HD3 LYS 56 2HD LYS 56 3.511 -16.794 -11.604 464 HE2 LYS 56 1HE LYS 56 5.447 -18.119 -12.228 465 HE3 LYS 56 2HE LYS 56 5.237 -19.170 -10.809 466 HZ1 LYS 56 1HZ LYS 56 4.330 -20.176 -12.828 467 HZ2 LYS 56 2HZ LYS 56 3.273 -18.922 -13.019 468 HZ3 LYS 56 3HZ LYS 56 3.141 -19.925 -11.714 469 H LYS 57 H LYS 57 2.891 -15.507 -6.329 470 HA LYS 57 HA LYS 57 1.132 -13.290 -6.660 471 HB2 LYS 57 1HB LYS 57 0.430 -15.390 -5.607 472 HB3 LYS 57 2HB LYS 57 1.510 -15.085 -4.234 473 HG2 LYS 57 1HG LYS 57 0.234 -13.350 -3.426 474 HG3 LYS 57 2HG LYS 57 -0.503 -13.014 -5.000 475 HD2 LYS 57 1HD LYS 57 -1.918 -14.943 -4.839 476 HD3 LYS 57 2HD LYS 57 -1.077 -15.515 -3.383 477 HE2 LYS 57 1HE LYS 57 -3.246 -14.369 -2.878 478 HE3 LYS 57 2HE LYS 57 -1.844 -13.594 -2.109 479 HZ1 LYS 57 1HZ LYS 57 -1.857 -11.889 -3.744 480 HZ2 LYS 57 2HZ LYS 57 -3.394 -12.013 -3.190 481 HZ3 LYS 57 3HZ LYS 57 -3.015 -12.639 -4.663 482 H LEU 58 H LEU 58 3.744 -13.853 -4.249 483 HA LEU 58 HA LEU 58 3.417 -11.390 -2.866 484 HB2 LEU 58 1HB LEU 58 5.599 -13.385 -3.234 485 HB3 LEU 58 2HB LEU 58 6.128 -11.760 -2.854 486 HG LEU 58 HG LEU 58 4.811 -11.773 -0.789 487 HD11 LEU 58 1HD1 LEU 58 4.223 -14.673 -1.448 488 HD12 LEU 58 2HD1 LEU 58 3.033 -13.353 -1.363 489 HD13 LEU 58 3HD1 LEU 58 3.893 -13.875 0.098 490 HD21 LEU 58 1HD2 LEU 58 6.263 -13.358 0.422 491 HD22 LEU 58 2HD2 LEU 58 7.171 -12.448 -0.801 492 HD23 LEU 58 3HD2 LEU 58 6.702 -14.135 -1.118 493 H ARG 59 H ARG 59 5.385 -12.263 -5.756 494 HA ARG 59 HA ARG 59 6.661 -9.773 -6.039 495 HB2 ARG 59 1HB ARG 59 6.814 -12.033 -7.419 496 HB3 ARG 59 2HB ARG 59 5.648 -11.242 -8.473 497 HG2 ARG 59 1HG ARG 59 7.677 -10.733 -9.458 498 HG3 ARG 59 2HG ARG 59 7.370 -9.280 -8.479 499 HD2 ARG 59 1HD ARG 59 8.801 -10.166 -6.691 500 HD3 ARG 59 2HD ARG 59 9.027 -11.674 -7.597 501 HE ARG 59 HE ARG 59 9.842 -9.461 -9.203 502 HH11 ARG 59 1HH1 ARG 59 10.930 -11.334 -6.415 503 HH12 ARG 59 2HH1 ARG 59 12.612 -10.988 -6.716 504 HH21 ARG 59 1HH2 ARG 59 12.009 -9.058 -9.529 505 HH22 ARG 59 2HH2 ARG 59 13.209 -9.721 -8.452 506 H ASP 60 H ASP 60 3.513 -10.815 -7.381 507 HA ASP 60 HA ASP 60 3.123 -8.266 -8.694 508 HB2 ASP 60 1HB ASP 60 1.294 -10.631 -8.206 509 HB3 ASP 60 2HB ASP 60 0.860 -9.223 -9.191 510 H GLU 61 H GLU 61 1.748 -9.683 -5.656 511 HA GLU 61 HA GLU 61 -0.129 -7.495 -5.394 512 HB2 GLU 61 1HB GLU 61 -0.765 -8.482 -3.354 513 HB3 GLU 61 2HB GLU 61 -0.343 -9.804 -4.429 514 HG2 GLU 61 1HG GLU 61 1.955 -9.805 -3.262 515 HG3 GLU 61 2HG GLU 61 1.213 -8.773 -2.041 516 H ILE 62 H ILE 62 3.062 -8.188 -3.899 517 HA ILE 62 HA ILE 62 3.259 -5.750 -2.458 518 HB ILE 62 HB ILE 62 5.552 -7.380 -3.683 519 HG12 ILE 62 1HG1 ILE 62 4.419 -7.489 -0.857 520 HG13 ILE 62 2HG1 ILE 62 4.027 -8.662 -2.096 521 HG21 ILE 62 1HG2 ILE 62 6.977 -6.305 -2.025 522 HG22 ILE 62 2HG2 ILE 62 6.120 -5.024 -2.896 523 HG23 ILE 62 3HG2 ILE 62 5.574 -5.513 -1.275 524 HD11 ILE 62 1HD1 ILE 62 6.508 -9.210 -2.247 525 HD12 ILE 62 2HD1 ILE 62 6.741 -8.186 -0.806 526 HD13 ILE 62 3HD1 ILE 62 5.724 -9.631 -0.711 527 H ASN 63 H ASN 63 3.888 -6.593 -5.917 528 HA ASN 63 HA ASN 63 5.118 -4.072 -6.541 529 HB2 ASN 63 1HB ASN 63 5.161 -5.925 -8.150 530 HB3 ASN 63 2HB ASN 63 3.408 -5.838 -8.328 531 HD21 ASN 63 1HD2 ASN 63 5.815 -3.320 -10.363 532 HD22 ASN 63 2HD2 ASN 63 6.439 -4.510 -9.247 533 H LEU 64 H LEU 64 1.654 -5.100 -6.649 534 HA LEU 64 HA LEU 64 0.674 -2.574 -7.553 535 HB2 LEU 64 1HB LEU 64 -0.567 -4.740 -5.827 536 HB3 LEU 64 2HB LEU 64 -1.470 -3.341 -6.401 537 HG LEU 64 HG LEU 64 -0.075 -5.250 -8.299 538 HD11 LEU 64 1HD1 LEU 64 -2.911 -5.376 -7.225 539 HD12 LEU 64 2HD1 LEU 64 -1.620 -6.563 -6.956 540 HD13 LEU 64 3HD1 LEU 64 -2.279 -6.340 -8.583 541 HD21 LEU 64 1HD2 LEU 64 -2.362 -3.267 -8.654 542 HD22 LEU 64 2HD2 LEU 64 -1.731 -4.359 -9.912 543 HD23 LEU 64 3HD2 LEU 64 -0.697 -3.078 -9.256 544 H ALA 65 H ALA 65 1.169 -3.855 -4.222 545 HA ALA 65 HA ALA 65 0.220 -1.464 -2.938 546 HB1 ALA 65 1HB ALA 65 2.237 -3.523 -2.011 547 HB2 ALA 65 2HB ALA 65 1.429 -2.319 -0.976 548 HB3 ALA 65 3HB ALA 65 0.475 -3.589 -1.774 549 H LYS 66 H LYS 66 3.371 -2.336 -4.333 550 HA LYS 66 HA LYS 66 4.765 -0.051 -3.208 551 HB2 LYS 66 1HB LYS 66 5.719 -2.271 -4.137 552 HB3 LYS 66 2HB LYS 66 5.605 -1.508 -5.717 553 HG2 LYS 66 1HG LYS 66 7.379 -0.146 -5.318 554 HG3 LYS 66 2HG LYS 66 6.927 0.133 -3.626 555 HD2 LYS 66 1HD LYS 66 8.106 -2.492 -4.610 556 HD3 LYS 66 2HD LYS 66 9.097 -1.152 -4.001 557 HE2 LYS 66 1HE LYS 66 7.897 -1.228 -1.832 558 HE3 LYS 66 2HE LYS 66 6.883 -2.556 -2.427 559 HZ1 LYS 66 1HZ LYS 66 9.823 -2.682 -2.086 560 HZ2 LYS 66 2HZ LYS 66 8.865 -3.914 -2.628 561 HZ3 LYS 66 3HZ LYS 66 8.708 -3.366 -1.080 562 H GLN 67 H GLN 67 2.865 -0.652 -6.143 563 HA GLN 67 HA GLN 67 3.619 1.812 -7.445 564 HB2 GLN 67 1HB GLN 67 1.064 0.163 -7.624 565 HB3 GLN 67 2HB GLN 67 1.375 1.603 -8.590 566 HG2 GLN 67 1HG GLN 67 2.994 -0.964 -8.650 567 HG3 GLN 67 2HG GLN 67 1.858 -0.417 -9.881 568 HE21 GLN 67 1HE2 GLN 67 4.073 2.265 -10.959 569 HE22 GLN 67 2HE2 GLN 67 2.397 2.020 -10.539 570 H GLU 68 H GLU 68 0.875 0.886 -5.156 571 HA GLU 68 HA GLU 68 0.126 3.592 -4.793 572 HB2 GLU 68 1HB GLU 68 -1.052 1.572 -3.915 573 HB3 GLU 68 2HB GLU 68 0.158 1.458 -2.634 574 HG2 GLU 68 1HG GLU 68 -1.965 2.658 -1.992 575 HG3 GLU 68 2HG GLU 68 -0.471 3.564 -1.733 576 H ALA 69 H ALA 69 2.761 1.794 -3.073 577 HA ALA 69 HA ALA 69 3.315 3.835 -1.197 578 HB1 ALA 69 1HB ALA 69 5.316 2.004 -2.575 579 HB2 ALA 69 2HB ALA 69 5.566 2.870 -1.050 580 HB3 ALA 69 3HB ALA 69 4.338 1.588 -1.143 581 H GLN 70 H GLN 70 4.463 3.571 -4.594 582 HA GLN 70 HA GLN 70 6.201 5.858 -4.500 583 HB2 GLN 70 1HB GLN 70 6.432 4.333 -6.309 584 HB3 GLN 70 2HB GLN 70 4.723 4.436 -6.727 585 HG2 GLN 70 1HG GLN 70 6.136 5.615 -8.366 586 HG3 GLN 70 2HG GLN 70 4.995 6.703 -7.576 587 HE21 GLN 70 1HE2 GLN 70 7.606 8.930 -7.106 588 HE22 GLN 70 2HE2 GLN 70 6.027 8.599 -7.792 589 H ARG 71 H ARG 71 2.717 5.496 -5.280 590 HA ARG 71 HA ARG 71 2.298 8.223 -6.046 591 HB2 ARG 71 1HB ARG 71 0.489 6.065 -4.942 592 HB3 ARG 71 2HB ARG 71 -0.090 7.701 -5.212 593 HG2 ARG 71 1HG ARG 71 0.763 7.491 -7.597 594 HG3 ARG 71 2HG ARG 71 0.959 5.758 -7.280 595 HD2 ARG 71 1HD ARG 71 -1.653 7.261 -6.868 596 HD3 ARG 71 2HD ARG 71 -1.221 6.491 -8.392 597 HE ARG 71 HE ARG 71 -1.473 4.971 -5.817 598 HH11 ARG 71 1HH1 ARG 71 -2.335 5.325 -9.231 599 HH12 ARG 71 2HH1 ARG 71 -3.098 3.758 -9.287 600 HH21 ARG 71 1HH2 ARG 71 -2.503 3.058 -5.949 601 HH22 ARG 71 2HH2 ARG 71 -3.191 2.486 -7.457 602 H LEU 72 H LEU 72 2.120 6.589 -2.837 603 HA LEU 72 HA LEU 72 1.351 8.952 -1.427 604 HB2 LEU 72 1HB LEU 72 2.590 6.337 -0.655 605 HB3 LEU 72 2HB LEU 72 2.331 7.628 0.543 606 HG LEU 72 HG LEU 72 0.058 6.916 -1.288 607 HD11 LEU 72 1HD1 LEU 72 -0.685 5.118 0.121 608 HD12 LEU 72 2HD1 LEU 72 0.742 5.289 1.146 609 HD13 LEU 72 3HD1 LEU 72 0.921 4.748 -0.528 610 HD21 LEU 72 1HD2 LEU 72 -1.268 7.482 0.715 611 HD22 LEU 72 2HD2 LEU 72 -0.156 8.791 0.287 612 HD23 LEU 72 3HD2 LEU 72 0.227 7.711 1.645 613 H LYS 73 H LYS 73 4.494 7.595 -2.372 614 HA LYS 73 HA LYS 73 6.077 9.460 -0.866 615 HB2 LYS 73 1HB LYS 73 6.935 7.372 -1.876 616 HB3 LYS 73 2HB LYS 73 6.685 8.027 -3.482 617 HG2 LYS 73 1HG LYS 73 8.468 9.554 -1.624 618 HG3 LYS 73 2HG LYS 73 9.054 8.029 -2.316 619 HD2 LYS 73 1HD LYS 73 8.397 8.919 -4.606 620 HD3 LYS 73 2HD LYS 73 8.133 10.493 -3.829 621 HE2 LYS 73 1HE LYS 73 10.492 10.375 -2.969 622 HE3 LYS 73 2HE LYS 73 10.720 8.919 -3.966 623 HZ1 LYS 73 1HZ LYS 73 9.994 11.632 -4.927 624 HZ2 LYS 73 2HZ LYS 73 10.086 10.295 -5.898 625 HZ3 LYS 73 3HZ LYS 73 11.440 10.874 -5.151 626 H GLU 74 H GLU 74 4.912 9.606 -4.323 627 HA GLU 74 HA GLU 74 6.185 12.202 -4.609 628 HB2 GLU 74 1HB GLU 74 5.254 12.336 -6.783 629 HB3 GLU 74 2HB GLU 74 5.842 10.701 -6.513 630 HG2 GLU 74 1HG GLU 74 3.476 9.991 -6.087 631 HG3 GLU 74 2HG GLU 74 2.954 11.617 -6.559 632 H LEU 75 H LEU 75 2.950 11.154 -3.629 633 HA LEU 75 HA LEU 75 1.701 13.726 -3.758 634 HB2 LEU 75 1HB LEU 75 0.527 11.568 -3.402 635 HB3 LEU 75 2HB LEU 75 1.290 11.414 -1.824 636 HG LEU 75 HG LEU 75 0.078 13.449 -1.070 637 HD11 LEU 75 1HD1 LEU 75 -0.294 14.584 -3.162 638 HD12 LEU 75 2HD1 LEU 75 -1.863 14.195 -2.438 639 HD13 LEU 75 3HD1 LEU 75 -1.247 13.215 -3.784 640 HD21 LEU 75 1HD2 LEU 75 -0.856 11.360 -0.448 641 HD22 LEU 75 2HD2 LEU 75 -1.423 11.021 -2.096 642 HD23 LEU 75 3HD2 LEU 75 -2.223 12.270 -1.125 643 H ARG 76 H ARG 76 3.536 12.030 -1.207 644 HA ARG 76 HA ARG 76 3.359 14.066 0.784 645 HB2 ARG 76 1HB ARG 76 4.105 11.910 1.438 646 HB3 ARG 76 2HB ARG 76 5.329 11.847 0.177 647 HG2 ARG 76 1HG ARG 76 5.673 14.028 2.128 648 HG3 ARG 76 2HG ARG 76 5.836 12.404 2.767 649 HD2 ARG 76 1HD ARG 76 7.650 11.873 1.408 650 HD3 ARG 76 2HD ARG 76 7.239 13.125 0.222 651 HE ARG 76 HE ARG 76 7.816 14.400 2.684 652 HH11 ARG 76 1HH1 ARG 76 9.534 12.652 0.138 653 HH12 ARG 76 2HH1 ARG 76 11.030 13.483 0.450 654 HH21 ARG 76 1HH2 ARG 76 9.740 15.425 3.016 655 HH22 ARG 76 2HH2 ARG 76 11.142 15.036 2.053 656 H GLU 77 H GLU 77 5.492 13.682 -2.038 657 HA GLU 77 HA GLU 77 7.194 15.909 -1.184 658 HB2 GLU 77 1HB GLU 77 7.013 14.247 -3.700 659 HB3 GLU 77 2HB GLU 77 8.098 15.644 -3.565 660 HG2 GLU 77 1HG GLU 77 9.156 14.653 -1.588 661 HG3 GLU 77 2HG GLU 77 8.087 13.254 -1.700 662 H GLY 78 H GLY 78 4.067 15.927 -2.131 663 HA2 GLY 78 1HA GLY 78 4.143 18.049 -4.098 664 HA3 GLY 78 2HA GLY 78 2.730 17.413 -3.259 665 H THR 79 H THR 79 2.540 19.887 -3.708 666 HA THR 79 HA THR 79 3.443 21.391 -1.283 667 HB THR 79 HB THR 79 3.152 23.437 -2.652 668 HG1 THR 79 HG1 THR 79 2.579 21.582 -4.756 669 HG21 THR 79 1HG2 THR 79 5.041 23.156 -4.143 670 HG22 THR 79 2HG2 THR 79 4.838 21.391 -4.153 671 HG23 THR 79 3HG2 THR 79 5.355 22.219 -2.665 672 H GLU 80 H GLU 80 1.906 23.258 -0.780 673 HA GLU 80 HA GLU 80 -0.639 22.125 -0.069 674 HB2 GLU 80 1HB GLU 80 0.787 23.700 1.261 675 HB3 GLU 80 2HB GLU 80 0.355 24.990 0.145 676 HG2 GLU 80 1HG GLU 80 -2.030 24.745 0.817 677 HG3 GLU 80 2HG GLU 80 -1.562 23.461 1.943 678 H ASN 81 H ASN 81 -1.437 21.656 -2.303 679 HA ASN 81 HA ASN 81 -3.416 23.657 -3.007 680 HB2 ASN 81 1HB ASN 81 -1.122 24.223 -4.261 681 HB3 ASN 81 2HB ASN 81 -1.656 22.928 -5.334 682 HD21 ASN 81 1HD2 ASN 81 -3.431 26.561 -5.352 683 HD22 ASN 81 2HD2 ASN 81 -2.202 26.132 -4.181 684 H GLU 82 H GLU 82 -4.789 22.755 -4.876 685 HA GLU 82 HA GLU 82 -4.716 19.756 -4.827 686 HB2 GLU 82 1HB GLU 82 -6.566 20.870 -3.533 687 HB3 GLU 82 2HB GLU 82 -7.149 21.579 -5.036 688 HG2 GLU 82 1HG GLU 82 -8.434 19.565 -4.317 689 HG3 GLU 82 2HG GLU 82 -7.719 19.379 -5.918 690 H ARG 83 H ARG 83 -4.021 22.357 -6.732 691 HA ARG 83 HA ARG 83 -4.483 20.698 -9.120 692 HB2 ARG 83 1HB ARG 83 -6.437 22.407 -8.588 693 HB3 ARG 83 2HB ARG 83 -5.360 23.554 -9.395 694 HG2 ARG 83 1HG ARG 83 -5.340 22.168 -11.402 695 HG3 ARG 83 2HG ARG 83 -6.259 20.899 -10.561 696 HD2 ARG 83 1HD ARG 83 -8.105 22.567 -10.210 697 HD3 ARG 83 2HD ARG 83 -7.219 23.691 -11.264 698 HE ARG 83 HE ARG 83 -7.480 21.221 -12.627 699 HH11 ARG 83 1HH1 ARG 83 -9.601 23.812 -11.513 700 HH12 ARG 83 2HH1 ARG 83 -10.779 23.514 -12.763 701 HH21 ARG 83 1HH2 ARG 83 -9.027 20.894 -14.191 702 HH22 ARG 83 2HH2 ARG 83 -10.454 21.890 -14.251 703 H SER 84 H SER 84 -3.290 23.943 -8.100 704 HA SER 84 HA SER 84 -1.602 24.339 -10.349 705 HB2 SER 84 1HB SER 84 -1.215 25.322 -7.497 706 HB3 SER 84 2HB SER 84 -0.491 26.023 -8.961 707 HG SER 84 HG SER 84 -2.415 27.110 -8.269 708 H ARG 85 H ARG 85 -0.280 22.745 -10.962 709 HA ARG 85 HA ARG 85 1.358 21.160 -10.998 710 HB2 ARG 85 1HB ARG 85 2.522 22.631 -8.605 711 HB3 ARG 85 2HB ARG 85 3.340 21.409 -9.578 712 HG2 ARG 85 1HG ARG 85 3.033 22.912 -11.578 713 HG3 ARG 85 2HG ARG 85 2.495 24.178 -10.450 714 HD2 ARG 85 1HD ARG 85 4.622 23.960 -9.211 715 HD3 ARG 85 2HD ARG 85 5.147 22.696 -10.340 716 HE ARG 85 HE ARG 85 4.450 25.059 -11.791 717 HH11 ARG 85 1HH1 ARG 85 7.019 23.814 -9.717 718 HH12 ARG 85 2HH1 ARG 85 8.228 24.842 -10.437 719 HH21 ARG 85 1HH2 ARG 85 6.046 26.347 -12.661 720 HH22 ARG 85 2HH2 ARG 85 7.683 26.248 -12.076 721 H GLN 86 H GLN 86 -1.068 21.000 -9.088 722 HA GLN 86 HA GLN 86 -0.075 18.627 -7.559 723 HB2 GLN 86 1HB GLN 86 -2.026 20.765 -6.644 724 HB3 GLN 86 2HB GLN 86 -1.796 19.219 -5.829 725 HG2 GLN 86 1HG GLN 86 0.300 21.375 -6.187 726 HG3 GLN 86 2HG GLN 86 -0.550 20.966 -4.698 727 HE21 GLN 86 1HE2 GLN 86 1.207 17.702 -4.574 728 HE22 GLN 86 2HE2 GLN 86 -0.456 18.232 -4.640 729 H LYS 87 H LYS 87 -0.906 18.379 -10.056 730 HA LYS 87 HA LYS 87 -3.676 17.894 -10.519 731 HB2 LYS 87 1HB LYS 87 -1.839 17.853 -12.255 732 HB3 LYS 87 2HB LYS 87 -1.195 16.403 -11.498 733 HG2 LYS 87 1HG LYS 87 -3.757 15.580 -12.031 734 HG3 LYS 87 2HG LYS 87 -3.494 16.731 -13.350 735 HD2 LYS 87 1HD LYS 87 -2.761 14.631 -14.198 736 HD3 LYS 87 2HD LYS 87 -1.265 15.493 -13.768 737 HE2 LYS 87 1HE LYS 87 -1.250 14.290 -11.572 738 HE3 LYS 87 2HE LYS 87 -2.715 13.437 -12.057 739 HZ1 LYS 87 1HZ LYS 87 -0.081 13.188 -13.378 740 HZ2 LYS 87 2HZ LYS 87 -1.455 12.386 -13.825 741 HZ3 LYS 87 3HZ LYS 87 -0.764 12.089 -12.356 742 H TYR 88 H TYR 88 -4.936 16.168 -9.923 743 HA TYR 88 HA TYR 88 -5.745 14.662 -8.537 744 HB2 TYR 88 1HB TYR 88 -5.125 12.446 -8.892 745 HB3 TYR 88 2HB TYR 88 -4.925 13.323 -10.380 746 HD1 TYR 88 HD1 TYR 88 -3.881 11.164 -11.112 747 HD2 TYR 88 HD2 TYR 88 -2.013 13.554 -8.054 748 HE1 TYR 88 HE1 TYR 88 -1.699 9.997 -11.494 749 HE2 TYR 88 HE2 TYR 88 0.144 12.408 -8.476 750 HH TYR 88 HH TYR 88 1.240 10.720 -9.615 751 H ALA 89 H ALA 89 -4.263 16.406 -6.729 752 HA ALA 89 HA ALA 89 -2.600 14.736 -5.115 753 HB1 ALA 89 1HB ALA 89 -4.103 17.272 -4.365 754 HB2 ALA 89 2HB ALA 89 -2.790 16.533 -3.425 755 HB3 ALA 89 3HB ALA 89 -2.468 17.168 -5.053 756 H GLU 90 H GLU 90 -6.003 15.837 -4.143 757 HA GLU 90 HA GLU 90 -5.871 13.727 -2.069 758 HB2 GLU 90 1HB GLU 90 -7.915 15.802 -2.813 759 HB3 GLU 90 2HB GLU 90 -8.356 14.439 -1.771 760 HG2 GLU 90 1HG GLU 90 -6.086 16.394 -1.233 761 HG3 GLU 90 2HG GLU 90 -7.671 16.412 -0.441 762 H GLU 91 H GLU 91 -6.803 14.034 -5.316 763 HA GLU 91 HA GLU 91 -8.535 11.734 -5.496 764 HB2 GLU 91 1HB GLU 91 -8.188 13.441 -7.312 765 HB3 GLU 91 2HB GLU 91 -6.552 12.837 -7.485 766 HG2 GLU 91 1HG GLU 91 -7.646 10.537 -7.965 767 HG3 GLU 91 2HG GLU 91 -9.130 11.467 -8.218 768 H GLU 92 H GLU 92 -4.999 12.265 -5.098 769 HA GLU 92 HA GLU 92 -4.246 9.602 -5.872 770 HB2 GLU 92 1HB GLU 92 -2.751 11.699 -5.428 771 HB3 GLU 92 2HB GLU 92 -2.817 11.185 -3.748 772 HG2 GLU 92 1HG GLU 92 -0.889 10.185 -4.439 773 HG3 GLU 92 2HG GLU 92 -2.047 8.880 -4.725 774 H LEU 93 H LEU 93 -5.509 11.060 -2.889 775 HA LEU 93 HA LEU 93 -5.005 8.716 -1.273 776 HB2 LEU 93 1HB LEU 93 -5.414 11.067 -0.441 777 HB3 LEU 93 2HB LEU 93 -7.114 10.847 -0.833 778 HG LEU 93 HG LEU 93 -7.299 9.056 0.830 779 HD11 LEU 93 1HD1 LEU 93 -5.110 8.046 0.819 780 HD12 LEU 93 2HD1 LEU 93 -5.401 8.682 2.446 781 HD13 LEU 93 3HD1 LEU 93 -4.340 9.568 1.325 782 HD21 LEU 93 1HD2 LEU 93 -7.048 10.449 2.821 783 HD22 LEU 93 2HD2 LEU 93 -7.598 11.463 1.466 784 HD23 LEU 93 3HD2 LEU 93 -5.902 11.511 1.970 785 H GLU 94 H GLU 94 -7.631 9.805 -3.424 786 HA GLU 94 HA GLU 94 -9.389 7.591 -2.787 787 HB2 GLU 94 1HB GLU 94 -10.149 9.631 -3.996 788 HB3 GLU 94 2HB GLU 94 -9.197 9.125 -5.392 789 HG2 GLU 94 1HG GLU 94 -11.484 8.506 -5.809 790 HG3 GLU 94 2HG GLU 94 -10.566 7.024 -5.526 791 H GLN 95 H GLN 95 -6.579 8.027 -4.936 792 HA GLN 95 HA GLN 95 -6.900 5.417 -6.155 793 HB2 GLN 95 1HB GLN 95 -4.528 7.294 -6.012 794 HB3 GLN 95 2HB GLN 95 -4.526 5.759 -6.883 795 HG2 GLN 95 1HG GLN 95 -6.419 6.530 -8.279 796 HG3 GLN 95 2HG GLN 95 -6.434 8.068 -7.420 797 HE21 GLN 95 1HE2 GLN 95 -4.242 9.511 -9.659 798 HE22 GLN 95 2HE2 GLN 95 -5.645 9.641 -8.639 799 H VAL 96 H VAL 96 -5.374 6.563 -3.135 800 HA VAL 96 HA VAL 96 -4.055 4.069 -2.499 801 HB VAL 96 HB VAL 96 -5.397 6.031 -0.551 802 HG11 VAL 96 1HG1 VAL 96 -5.063 3.866 0.529 803 HG12 VAL 96 2HG1 VAL 96 -3.379 3.805 -0.041 804 HG13 VAL 96 3HG1 VAL 96 -3.873 5.023 1.159 805 HG21 VAL 96 1HG2 VAL 96 -3.484 6.947 -1.987 806 HG22 VAL 96 2HG2 VAL 96 -3.319 7.097 -0.234 807 HG23 VAL 96 3HG2 VAL 96 -2.442 5.831 -1.108 808 H ARG 97 H ARG 97 -7.364 5.353 -2.068 809 HA ARG 97 HA ARG 97 -8.349 3.027 -0.694 810 HB2 ARG 97 1HB ARG 97 -9.864 4.983 -2.452 811 HB3 ARG 97 2HB ARG 97 -10.603 3.790 -1.390 812 HG2 ARG 97 1HG ARG 97 -9.943 4.926 0.568 813 HG3 ARG 97 2HG ARG 97 -8.664 5.808 -0.267 814 HD2 ARG 97 1HD ARG 97 -10.744 6.799 -1.632 815 HD3 ARG 97 2HD ARG 97 -11.585 6.420 -0.121 816 HE ARG 97 HE ARG 97 -9.277 7.710 0.690 817 HH11 ARG 97 1HH1 ARG 97 -11.853 8.680 -1.563 818 HH12 ARG 97 2HH1 ARG 97 -11.625 10.364 -1.180 819 HH21 ARG 97 1HH2 ARG 97 -9.079 9.889 1.065 820 HH22 ARG 97 2HH2 ARG 97 -10.097 11.029 0.234 821 H GLU 98 H GLU 98 -7.965 3.787 -4.178 822 HA GLU 98 HA GLU 98 -9.212 1.341 -5.083 823 HB2 GLU 98 1HB GLU 98 -7.209 3.214 -6.359 824 HB3 GLU 98 2HB GLU 98 -7.793 1.764 -7.166 825 HG2 GLU 98 1HG GLU 98 -9.641 3.936 -6.146 826 HG3 GLU 98 2HG GLU 98 -8.951 3.925 -7.776 827 H ALA 99 H ALA 99 -5.800 2.171 -4.283 828 HA ALA 99 HA ALA 99 -4.529 -0.280 -5.027 829 HB1 ALA 99 1HB ALA 99 -2.906 0.267 -3.361 830 HB2 ALA 99 2HB ALA 99 -3.375 1.706 -4.291 831 HB3 ALA 99 3HB ALA 99 -3.989 1.477 -2.643 832 H LEU 100 H LEU 100 -6.166 0.755 -1.981 833 HA LEU 100 HA LEU 100 -5.803 -1.746 -0.620 834 HB2 LEU 100 1HB LEU 100 -7.839 0.469 -0.263 835 HB3 LEU 100 2HB LEU 100 -7.708 -0.910 0.826 836 HG LEU 100 HG LEU 100 -5.422 1.021 0.310 837 HD11 LEU 100 1HD1 LEU 100 -7.368 2.204 1.245 838 HD12 LEU 100 2HD1 LEU 100 -6.044 2.091 2.414 839 HD13 LEU 100 3HD1 LEU 100 -7.459 1.015 2.568 840 HD21 LEU 100 1HD2 LEU 100 -5.912 -1.033 2.508 841 HD22 LEU 100 2HD2 LEU 100 -4.547 0.110 2.445 842 HD23 LEU 100 3HD2 LEU 100 -4.705 -1.146 1.208 843 H ARG 101 H ARG 101 -8.576 -0.469 -2.523 844 HA ARG 101 HA ARG 101 -10.301 -2.704 -2.078 845 HB2 ARG 101 1HB ARG 101 -10.066 -0.748 -4.375 846 HB3 ARG 101 2HB ARG 101 -11.306 -2.002 -4.322 847 HG2 ARG 101 1HG ARG 101 -12.406 -1.027 -2.486 848 HG3 ARG 101 2HG ARG 101 -10.992 -0.049 -2.048 849 HD2 ARG 101 1HD ARG 101 -11.226 1.086 -4.301 850 HD3 ARG 101 2HD ARG 101 -12.809 0.309 -4.449 851 HE ARG 101 HE ARG 101 -13.102 1.510 -2.081 852 HH11 ARG 101 1HH1 ARG 101 -11.675 2.848 -5.043 853 HH12 ARG 101 2HH1 ARG 101 -12.054 4.499 -4.551 854 HH21 ARG 101 1HH2 ARG 101 -13.602 3.651 -1.623 855 HH22 ARG 101 2HH2 ARG 101 -13.108 4.924 -2.730 856 H LYS 102 H LYS 102 -7.775 -2.091 -4.524 857 HA LYS 102 HA LYS 102 -8.313 -4.440 -6.064 858 HB2 LYS 102 1HB LYS 102 -6.862 -2.631 -6.891 859 HB3 LYS 102 2HB LYS 102 -5.711 -2.931 -5.589 860 HG2 LYS 102 1HG LYS 102 -4.815 -3.888 -7.596 861 HG3 LYS 102 2HG LYS 102 -5.283 -5.212 -6.520 862 HD2 LYS 102 1HD LYS 102 -7.407 -5.475 -7.818 863 HD3 LYS 102 2HD LYS 102 -6.867 -4.179 -8.904 864 HE2 LYS 102 1HE LYS 102 -6.331 -6.236 -9.986 865 HE3 LYS 102 2HE LYS 102 -4.798 -5.584 -9.375 866 HZ1 LYS 102 1HZ LYS 102 -5.107 -7.982 -8.935 867 HZ2 LYS 102 2HZ LYS 102 -6.398 -7.647 -7.968 868 HZ3 LYS 102 3HZ LYS 102 -4.891 -7.133 -7.547 869 H ALA 103 H ALA 103 -6.065 -3.846 -3.319 870 HA ALA 103 HA ALA 103 -5.038 -6.502 -3.288 871 HB1 ALA 103 1HB ALA 103 -3.900 -4.659 -2.167 872 HB2 ALA 103 2HB ALA 103 -5.285 -4.412 -1.077 873 HB3 ALA 103 3HB ALA 103 -4.317 -5.898 -0.960 874 H GLU 104 H GLU 104 -7.697 -5.024 -1.322 875 HA GLU 104 HA GLU 104 -8.079 -7.465 0.137 876 HB2 GLU 104 1HB GLU 104 -9.949 -6.444 1.157 877 HB3 GLU 104 2HB GLU 104 -8.726 -5.193 0.921 878 HG2 GLU 104 1HG GLU 104 -10.014 -4.544 -1.182 879 HG3 GLU 104 2HG GLU 104 -11.312 -5.589 -0.603 880 H LYS 105 H LYS 105 -9.588 -6.222 -2.863 881 HA LYS 105 HA LYS 105 -11.536 -8.377 -2.897 882 HB2 LYS 105 1HB LYS 105 -11.722 -6.122 -4.085 883 HB3 LYS 105 2HB LYS 105 -10.566 -6.745 -5.267 884 HG2 LYS 105 1HG LYS 105 -12.791 -7.001 -6.161 885 HG3 LYS 105 2HG LYS 105 -12.183 -8.618 -5.761 886 HD2 LYS 105 1HD LYS 105 -13.437 -8.531 -3.611 887 HD3 LYS 105 2HD LYS 105 -14.061 -6.933 -4.051 888 HE2 LYS 105 1HE LYS 105 -15.184 -7.917 -6.009 889 HE3 LYS 105 2HE LYS 105 -14.516 -9.515 -5.590 890 HZ1 LYS 105 1HZ LYS 105 -16.771 -9.230 -4.741 891 HZ2 LYS 105 2HZ LYS 105 -16.298 -7.933 -3.832 892 HZ3 LYS 105 3HZ LYS 105 -15.697 -9.436 -3.507 893 H GLU 106 H GLU 106 -8.252 -7.905 -4.118 894 HA GLU 106 HA GLU 106 -8.191 -10.251 -5.785 895 HB2 GLU 106 1HB GLU 106 -6.496 -8.457 -5.870 896 HB3 GLU 106 2HB GLU 106 -5.987 -8.842 -4.227 897 HG2 GLU 106 1HG GLU 106 -5.285 -11.068 -4.993 898 HG3 GLU 106 2HG GLU 106 -5.718 -10.611 -6.652 899 H LEU 107 H LEU 107 -7.220 -9.628 -2.346 900 HA LEU 107 HA LEU 107 -6.575 -12.365 -1.862 901 HB2 LEU 107 1HB LEU 107 -6.189 -10.162 -0.468 902 HB3 LEU 107 2HB LEU 107 -7.696 -10.616 0.304 903 HG LEU 107 HG LEU 107 -5.694 -11.260 1.579 904 HD11 LEU 107 1HD1 LEU 107 -6.308 -13.506 2.179 905 HD12 LEU 107 2HD1 LEU 107 -7.097 -13.774 0.617 906 HD13 LEU 107 3HD1 LEU 107 -7.798 -12.623 1.774 907 HD21 LEU 107 1HD2 LEU 107 -4.215 -11.726 -0.406 908 HD22 LEU 107 2HD2 LEU 107 -5.063 -13.278 -0.604 909 HD23 LEU 107 3HD2 LEU 107 -4.141 -12.945 0.878 910 H GLU 108 H GLU 108 -9.692 -10.592 -1.612 911 HA GLU 108 HA GLU 108 -11.209 -12.707 -0.461 912 HB2 GLU 108 1HB GLU 108 -12.047 -10.373 -0.844 913 HB3 GLU 108 2HB GLU 108 -12.088 -10.707 -2.575 914 HG2 GLU 108 1HG GLU 108 -13.660 -12.680 -1.939 915 HG3 GLU 108 2HG GLU 108 -13.856 -11.820 -0.404 916 H SER 109 H SER 109 -10.468 -11.951 -3.904 917 HA SER 109 HA SER 109 -11.962 -14.131 -4.965 918 HB2 SER 109 1HB SER 109 -10.806 -13.747 -7.034 919 HB3 SER 109 2HB SER 109 -11.183 -12.186 -6.287 920 HG SER 109 HG SER 109 -8.858 -12.556 -5.382 921 H HIS 110 H HIS 110 -8.634 -13.994 -3.660 922 HA HIS 110 HA HIS 110 -8.011 -16.684 -4.652 923 HB2 HIS 110 1HB HIS 110 -6.803 -14.974 -2.440 924 HB3 HIS 110 2HB HIS 110 -6.195 -16.547 -2.938 925 HD1 HIS 110 HD1 HIS 110 -5.336 -16.700 -5.574 926 HD2 HIS 110 HD2 HIS 110 -5.728 -12.926 -3.811 927 HE1 HIS 110 HE1 HIS 110 -3.949 -15.087 -6.939 928 H SER 111 H SER 111 -9.715 -15.332 -1.897 929 HA SER 111 HA SER 111 -9.497 -17.891 -0.376 930 HB2 SER 111 1HB SER 111 -10.588 -16.684 1.423 931 HB3 SER 111 2HB SER 111 -9.227 -15.725 0.809 932 HG SER 111 HG SER 111 -11.282 -14.960 -0.610 933 H SER 112 H SER 112 -11.358 -16.609 -2.821 934 HA SER 112 HA SER 112 -14.009 -17.411 -2.000 935 HB2 SER 112 1HB SER 112 -12.821 -16.854 -4.729 936 HB3 SER 112 2HB SER 112 -14.546 -17.122 -4.413 937 HG SER 112 HG SER 112 -13.027 -15.122 -3.075 938 H TRP 113 H TRP 113 -11.540 -19.389 -2.261 939 HA TRP 113 HA TRP 113 -11.299 -21.625 -2.468 940 HB2 TRP 113 1HB TRP 113 -14.301 -21.865 -2.795 941 HB3 TRP 113 2HB TRP 113 -13.170 -23.078 -2.193 942 HD1 TRP 113 HD1 TRP 113 -12.052 -22.510 0.307 943 HE1 TRP 113 HE1 TRP 113 -12.970 -21.288 2.344 944 HE3 TRP 113 HE3 TRP 113 -15.902 -20.067 -2.016 945 HZ2 TRP 113 HZ2 TRP 113 -15.091 -19.480 2.902 946 HZ3 TRP 113 HZ3 TRP 113 -17.370 -18.573 -0.646 947 HH2 TRP 113 HH2 TRP 113 -16.951 -18.285 1.796 948 H TYR 114 H TYR 114 -11.234 -19.986 -4.924 949 HA TYR 114 HA TYR 114 -12.250 -21.777 -7.021 950 HB2 TYR 114 1HB TYR 114 -10.452 -19.329 -7.185 951 HB3 TYR 114 2HB TYR 114 -11.172 -20.173 -8.559 952 HD1 TYR 114 HD1 TYR 114 -13.993 -20.631 -7.415 953 HD2 TYR 114 HD2 TYR 114 -11.425 -17.168 -7.414 954 HE1 TYR 114 HE1 TYR 114 -15.986 -19.142 -7.286 955 HE2 TYR 114 HE2 TYR 114 -13.434 -15.694 -7.307 956 HH TYR 114 HH TYR 114 -15.700 -15.593 -7.093 957 H ALA 115 H ALA 115 -10.502 -23.103 -5.251 958 HA ALA 115 HA ALA 115 -7.832 -23.208 -6.439 959 HB1 ALA 115 1HB ALA 115 -9.180 -24.971 -4.334 960 HB2 ALA 115 2HB ALA 115 -7.456 -25.000 -4.761 961 HB3 ALA 115 3HB ALA 115 -8.154 -23.552 -3.996 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 12.330 32.191 9.044 2 H2 GLY 1 2H GLY 1 13.965 32.398 9.122 3 H3 GLY 1 3H GLY 1 13.339 30.964 8.601 4 HA2 GLY 1 1HA GLY 1 13.091 33.554 7.219 5 HA3 GLY 1 2HA GLY 1 14.165 32.225 6.739 6 H SER 2 H SER 2 12.838 32.601 4.665 7 HA SER 2 HA SER 2 11.212 31.962 3.203 8 HB2 SER 2 1HB SER 2 12.405 29.822 3.801 9 HB3 SER 2 2HB SER 2 11.017 29.427 4.837 10 HG SER 2 HG SER 2 10.875 28.624 2.639 11 HA PRO 3 HA PRO 3 7.668 33.053 5.996 12 HB2 PRO 3 1HB PRO 3 7.010 34.681 3.543 13 HB3 PRO 3 2HB PRO 3 6.853 35.121 5.272 14 HG2 PRO 3 1HG PRO 3 8.829 36.123 3.849 15 HG3 PRO 3 2HG PRO 3 9.148 35.493 5.499 16 HD2 PRO 3 1HD PRO 3 9.650 34.167 2.829 17 HD3 PRO 3 2HD PRO 3 10.730 34.299 4.263 18 H GLU 4 H GLU 4 7.692 32.251 2.489 19 HA GLU 4 HA GLU 4 4.933 31.496 2.396 20 HB2 GLU 4 1HB GLU 4 7.298 30.721 0.673 21 HB3 GLU 4 2HB GLU 4 5.619 30.279 0.322 22 HG2 GLU 4 1HG GLU 4 5.027 32.700 0.332 23 HG3 GLU 4 2HG GLU 4 6.753 33.082 0.498 24 H PHE 5 H PHE 5 7.901 29.652 3.171 25 HA PHE 5 HA PHE 5 6.667 27.080 3.084 26 HB2 PHE 5 1HB PHE 5 9.121 27.434 3.236 27 HB3 PHE 5 2HB PHE 5 8.916 28.038 4.885 28 HD1 PHE 5 HD1 PHE 5 8.376 26.511 6.738 29 HD2 PHE 5 HD2 PHE 5 8.894 25.056 2.722 30 HE1 PHE 5 HE1 PHE 5 8.525 24.181 7.606 31 HE2 PHE 5 HE2 PHE 5 9.038 22.722 3.576 32 HZ PHE 5 HZ PHE 5 8.855 22.279 6.024 33 H ASN 6 H ASN 6 6.907 29.581 5.592 34 HA ASN 6 HA ASN 6 5.611 27.962 7.609 35 HB2 ASN 6 1HB ASN 6 5.830 30.989 7.376 36 HB3 ASN 6 2HB ASN 6 5.363 30.093 8.828 37 HD21 ASN 6 1HD2 ASN 6 9.113 30.981 8.450 38 HD22 ASN 6 2HD2 ASN 6 7.710 31.884 7.934 39 H ARG 7 H ARG 7 4.537 30.307 5.155 40 HA ARG 7 HA ARG 7 1.832 30.569 5.974 41 HB2 ARG 7 1HB ARG 7 2.990 31.972 4.273 42 HB3 ARG 7 2HB ARG 7 2.991 30.600 3.168 43 HG2 ARG 7 1HG ARG 7 0.533 30.602 3.141 44 HG3 ARG 7 2HG ARG 7 0.535 32.031 4.198 45 HD2 ARG 7 1HD ARG 7 1.765 33.309 2.515 46 HD3 ARG 7 2HD ARG 7 1.930 31.874 1.493 47 HE ARG 7 HE ARG 7 -0.445 33.562 1.821 48 HH11 ARG 7 1HH1 ARG 7 0.776 30.480 0.583 49 HH12 ARG 7 2HH1 ARG 7 -0.581 30.268 -0.487 50 HH21 ARG 7 1HH2 ARG 7 -2.132 33.228 0.416 51 HH22 ARG 7 2HH2 ARG 7 -2.192 31.799 -0.579 52 H TYR 8 H TYR 8 3.336 28.094 3.791 53 HA TYR 8 HA TYR 8 0.651 26.810 3.723 54 HB2 TYR 8 1HB TYR 8 1.502 25.379 1.970 55 HB3 TYR 8 2HB TYR 8 1.652 27.082 1.568 56 HD1 TYR 8 HD1 TYR 8 3.770 24.317 3.076 57 HD2 TYR 8 HD2 TYR 8 3.617 27.756 0.501 58 HE1 TYR 8 HE1 TYR 8 6.128 23.912 2.400 59 HE2 TYR 8 HE2 TYR 8 5.987 27.350 -0.166 60 HH TYR 8 HH TYR 8 7.833 24.537 0.999 61 H SER 9 H SER 9 3.079 26.712 5.880 62 HA SER 9 HA SER 9 3.847 24.018 6.090 63 HB2 SER 9 1HB SER 9 4.328 24.468 8.435 64 HB3 SER 9 2HB SER 9 4.834 25.842 7.437 65 HG SER 9 HG SER 9 3.159 27.031 8.180 66 H LYS 10 H LYS 10 0.858 25.555 7.158 67 HA LYS 10 HA LYS 10 -0.148 23.596 8.892 68 HB2 LYS 10 1HB LYS 10 -2.428 24.367 7.859 69 HB3 LYS 10 2HB LYS 10 -1.452 25.520 8.772 70 HG2 LYS 10 1HG LYS 10 -0.765 26.695 6.817 71 HG3 LYS 10 2HG LYS 10 -1.212 25.360 5.750 72 HD2 LYS 10 1HD LYS 10 -3.625 25.739 6.491 73 HD3 LYS 10 2HD LYS 10 -3.050 27.260 7.203 74 HE2 LYS 10 1HE LYS 10 -3.878 27.776 5.011 75 HE3 LYS 10 2HE LYS 10 -2.107 27.859 4.915 76 HZ1 LYS 10 1HZ LYS 10 -3.591 25.397 4.174 77 HZ2 LYS 10 2HZ LYS 10 -2.051 25.824 3.744 78 HZ3 LYS 10 3HZ LYS 10 -3.327 26.606 3.078 79 H GLU 11 H GLU 11 -0.825 23.801 5.369 80 HA GLU 11 HA GLU 11 -2.136 21.222 5.401 81 HB2 GLU 11 1HB GLU 11 -1.868 23.458 3.619 82 HB3 GLU 11 2HB GLU 11 -1.402 21.980 2.767 83 HG2 GLU 11 1HG GLU 11 -3.763 22.411 2.450 84 HG3 GLU 11 2HG GLU 11 -3.522 20.929 3.395 85 H HIS 12 H HIS 12 1.078 22.486 4.550 86 HA HIS 12 HA HIS 12 2.031 20.193 3.178 87 HB2 HIS 12 1HB HIS 12 3.239 22.323 3.289 88 HB3 HIS 12 2HB HIS 12 3.467 22.133 5.029 89 HD1 HIS 12 HD1 HIS 12 5.984 21.869 5.193 90 HD2 HIS 12 HD2 HIS 12 4.280 19.386 2.311 91 HE1 HIS 12 HE1 HIS 12 7.812 20.328 4.374 92 H MET 13 H MET 13 2.154 21.008 6.699 93 HA MET 13 HA MET 13 3.353 18.522 7.451 94 HB2 MET 13 1HB MET 13 3.288 20.576 8.840 95 HB3 MET 13 2HB MET 13 1.550 20.386 9.052 96 HG2 MET 13 1HG MET 13 3.523 18.253 9.915 97 HG3 MET 13 2HG MET 13 3.116 19.626 10.950 98 HE1 MET 13 1HE MET 13 -0.012 20.120 10.669 99 HE2 MET 13 2HE MET 13 -0.604 19.014 11.930 100 HE3 MET 13 3HE MET 13 0.868 19.973 12.212 101 H LYS 14 H LYS 14 -0.095 19.592 7.434 102 HA LYS 14 HA LYS 14 -1.149 17.172 8.482 103 HB2 LYS 14 1HB LYS 14 -2.362 19.316 8.280 104 HB3 LYS 14 2HB LYS 14 -2.396 19.144 6.523 105 HG2 LYS 14 1HG LYS 14 -3.842 17.204 6.683 106 HG3 LYS 14 2HG LYS 14 -3.690 17.193 8.451 107 HD2 LYS 14 1HD LYS 14 -5.363 18.664 8.664 108 HD3 LYS 14 2HD LYS 14 -4.542 19.823 7.604 109 HE2 LYS 14 1HE LYS 14 -6.198 17.486 6.576 110 HE3 LYS 14 2HE LYS 14 -6.857 19.109 6.860 111 HZ1 LYS 14 1HZ LYS 14 -5.293 19.997 5.267 112 HZ2 LYS 14 2HZ LYS 14 -6.186 18.802 4.557 113 HZ3 LYS 14 3HZ LYS 14 -4.629 18.505 5.008 114 H LYS 15 H LYS 15 -0.611 18.130 5.071 115 HA LYS 15 HA LYS 15 -1.784 15.715 4.021 116 HB2 LYS 15 1HB LYS 15 -1.622 17.804 2.724 117 HB3 LYS 15 2HB LYS 15 0.144 17.692 2.742 118 HG2 LYS 15 1HG LYS 15 0.141 15.768 1.389 119 HG3 LYS 15 2HG LYS 15 -1.602 15.521 1.596 120 HD2 LYS 15 1HD LYS 15 -2.092 17.492 0.282 121 HD3 LYS 15 2HD LYS 15 -0.371 17.922 0.205 122 HE2 LYS 15 1HE LYS 15 -1.168 16.848 -1.888 123 HE3 LYS 15 2HE LYS 15 0.133 15.935 -1.095 124 HZ1 LYS 15 1HZ LYS 15 -1.483 14.412 -0.221 125 HZ2 LYS 15 2HZ LYS 15 -1.670 14.504 -1.853 126 HZ3 LYS 15 3HZ LYS 15 -2.755 15.274 -0.880 127 H MET 16 H MET 16 1.640 16.723 4.642 128 HA MET 16 HA MET 16 2.689 14.275 3.579 129 HB2 MET 16 1HB MET 16 3.818 16.237 5.596 130 HB3 MET 16 2HB MET 16 4.700 14.823 5.014 131 HG2 MET 16 1HG MET 16 3.681 17.082 3.268 132 HG3 MET 16 2HG MET 16 5.353 16.846 3.801 133 HE1 MET 16 1HE MET 16 2.346 15.380 1.631 134 HE2 MET 16 2HE MET 16 3.254 16.660 0.788 135 HE3 MET 16 3HE MET 16 3.296 14.990 0.185 136 H MET 17 H MET 17 1.562 15.173 6.860 137 HA MET 17 HA MET 17 2.452 12.791 8.147 138 HB2 MET 17 1HB MET 17 1.517 14.722 9.363 139 HB3 MET 17 2HB MET 17 -0.059 14.449 8.619 140 HG2 MET 17 1HG MET 17 -0.228 12.264 9.747 141 HG3 MET 17 2HG MET 17 1.345 12.540 10.518 142 HE1 MET 17 1HE MET 17 1.543 15.358 11.603 143 HE2 MET 17 2HE MET 17 0.657 15.286 13.144 144 HE3 MET 17 3HE MET 17 1.704 13.932 12.658 145 H LYS 18 H LYS 18 -0.699 13.540 6.563 146 HA LYS 18 HA LYS 18 -1.729 10.887 6.891 147 HB2 LYS 18 1HB LYS 18 -3.073 12.913 6.486 148 HB3 LYS 18 2HB LYS 18 -2.397 13.047 4.866 149 HG2 LYS 18 1HG LYS 18 -3.695 10.439 5.470 150 HG3 LYS 18 2HG LYS 18 -4.785 11.836 5.488 151 HD2 LYS 18 1HD LYS 18 -2.893 11.213 3.192 152 HD3 LYS 18 2HD LYS 18 -4.572 10.658 3.248 153 HE2 LYS 18 1HE LYS 18 -5.424 12.898 3.162 154 HE3 LYS 18 2HE LYS 18 -3.824 13.596 3.499 155 HZ1 LYS 18 1HZ LYS 18 -3.049 12.739 1.393 156 HZ2 LYS 18 2HZ LYS 18 -4.349 13.741 1.158 157 HZ3 LYS 18 3HZ LYS 18 -4.532 12.104 1.055 158 H ASP 19 H ASP 19 0.027 12.386 4.125 159 HA ASP 19 HA ASP 19 -0.429 10.143 2.379 160 HB2 ASP 19 1HB ASP 19 1.678 12.346 2.333 161 HB3 ASP 19 2HB ASP 19 1.494 11.138 1.058 162 H LEU 20 H LEU 20 2.187 10.936 4.699 163 HA LEU 20 HA LEU 20 3.729 8.641 3.708 164 HB2 LEU 20 1HB LEU 20 4.236 10.738 5.784 165 HB3 LEU 20 2HB LEU 20 5.215 9.283 5.712 166 HG LEU 20 HG LEU 20 6.296 9.880 3.796 167 HD11 LEU 20 1HD1 LEU 20 5.503 11.531 2.065 168 HD12 LEU 20 2HD1 LEU 20 3.963 11.645 2.913 169 HD13 LEU 20 3HD1 LEU 20 4.466 10.102 2.174 170 HD21 LEU 20 1HD2 LEU 20 6.856 12.277 3.910 171 HD22 LEU 20 2HD2 LEU 20 6.742 11.553 5.529 172 HD23 LEU 20 3HD2 LEU 20 5.417 12.565 4.909 173 H GLU 21 H GLU 21 1.361 9.265 6.176 174 HA GLU 21 HA GLU 21 1.858 6.877 7.736 175 HB2 GLU 21 1HB GLU 21 0.289 8.707 8.410 176 HB3 GLU 21 2HB GLU 21 -0.752 8.299 7.048 177 HG2 GLU 21 1HG GLU 21 -1.102 6.045 8.036 178 HG3 GLU 21 2HG GLU 21 -0.150 6.555 9.444 179 H GLY 22 H GLY 22 0.156 7.739 4.727 180 HA2 GLY 22 1HA GLY 22 -0.805 5.099 4.134 181 HA3 GLY 22 2HA GLY 22 -0.599 6.435 2.986 182 H LEU 23 H LEU 23 2.267 6.787 3.446 183 HA LEU 23 HA LEU 23 3.269 4.842 1.582 184 HB2 LEU 23 1HB LEU 23 4.068 7.231 2.202 185 HB3 LEU 23 2HB LEU 23 5.015 6.450 3.457 186 HG LEU 23 HG LEU 23 5.254 5.853 0.485 187 HD11 LEU 23 1HD1 LEU 23 7.264 7.292 0.564 188 HD12 LEU 23 2HD1 LEU 23 6.910 7.690 2.265 189 HD13 LEU 23 3HD1 LEU 23 5.795 8.201 0.972 190 HD21 LEU 23 1HD2 LEU 23 7.035 5.138 2.851 191 HD22 LEU 23 2HD2 LEU 23 7.507 4.962 1.143 192 HD23 LEU 23 3HD2 LEU 23 6.156 4.019 1.788 193 H HIS 24 H HIS 24 3.583 5.276 5.124 194 HA HIS 24 HA HIS 24 5.186 2.979 5.680 195 HB2 HIS 24 1HB HIS 24 4.851 4.628 7.401 196 HB3 HIS 24 2HB HIS 24 3.096 4.482 7.290 197 HD1 HIS 24 HD1 HIS 24 5.784 1.754 7.823 198 HD2 HIS 24 HD2 HIS 24 2.279 3.279 9.530 199 HE1 HIS 24 HE1 HIS 24 5.234 0.309 9.823 200 H ARG 25 H ARG 25 1.606 3.465 5.577 201 HA ARG 25 HA ARG 25 1.049 0.711 6.060 202 HB2 ARG 25 1HB ARG 25 -0.483 3.057 5.137 203 HB3 ARG 25 2HB ARG 25 -1.055 1.528 4.482 204 HG2 ARG 25 1HG ARG 25 -0.804 2.266 7.420 205 HG3 ARG 25 2HG ARG 25 -2.296 2.050 6.495 206 HD2 ARG 25 1HD ARG 25 -0.286 -0.116 7.259 207 HD3 ARG 25 2HD ARG 25 -1.910 0.092 7.911 208 HE ARG 25 HE ARG 25 -2.149 -0.270 5.117 209 HH11 ARG 25 1HH1 ARG 25 -1.084 -2.184 7.904 210 HH12 ARG 25 2HH1 ARG 25 -1.590 -3.697 7.154 211 HH21 ARG 25 1HH2 ARG 25 -2.726 -2.265 4.250 212 HH22 ARG 25 2HH2 ARG 25 -2.466 -3.730 5.170 213 H ALA 26 H ALA 26 2.227 2.267 3.159 214 HA ALA 26 HA ALA 26 1.287 0.128 1.432 215 HB1 ALA 26 1HB ALA 26 2.610 1.154 -0.296 216 HB2 ALA 26 2HB ALA 26 1.819 2.454 0.623 217 HB3 ALA 26 3HB ALA 26 3.542 2.097 0.886 218 H GLU 27 H GLU 27 4.490 0.871 3.060 219 HA GLU 27 HA GLU 27 5.650 -1.561 1.964 220 HB2 GLU 27 1HB GLU 27 7.249 -1.333 4.031 221 HB3 GLU 27 2HB GLU 27 7.373 -0.307 2.618 222 HG2 GLU 27 1HG GLU 27 7.537 1.357 4.088 223 HG3 GLU 27 2HG GLU 27 5.786 1.290 4.128 224 H GLN 28 H GLN 28 4.024 -0.711 4.962 225 HA GLN 28 HA GLN 28 4.103 -3.253 6.181 226 HB2 GLN 28 1HB GLN 28 3.304 -1.050 7.193 227 HB3 GLN 28 2HB GLN 28 1.768 -1.325 6.356 228 HG2 GLN 28 1HG GLN 28 1.459 -3.426 7.583 229 HG3 GLN 28 2HG GLN 28 3.049 -3.233 8.338 230 HE21 GLN 28 1HE2 GLN 28 1.984 -0.996 10.800 231 HE22 GLN 28 2HE2 GLN 28 3.331 -1.769 10.003 232 H SER 29 H SER 29 1.904 -1.879 3.633 233 HA SER 29 HA SER 29 0.188 -4.164 3.693 234 HB2 SER 29 1HB SER 29 -0.766 -3.471 1.653 235 HB3 SER 29 2HB SER 29 -0.415 -2.001 2.561 236 HG SER 29 HG SER 29 1.663 -2.075 1.243 237 H LEU 30 H LEU 30 3.326 -3.655 2.054 238 HA LEU 30 HA LEU 30 3.156 -5.982 0.308 239 HB2 LEU 30 1HB LEU 30 5.678 -5.267 1.831 240 HB3 LEU 30 2HB LEU 30 5.517 -5.943 0.239 241 HG LEU 30 HG LEU 30 5.024 -3.096 1.034 242 HD11 LEU 30 1HD1 LEU 30 7.282 -4.359 -0.538 243 HD12 LEU 30 2HD1 LEU 30 7.376 -3.749 1.132 244 HD13 LEU 30 3HD1 LEU 30 7.089 -2.618 -0.208 245 HD21 LEU 30 1HD2 LEU 30 4.732 -2.468 -1.179 246 HD22 LEU 30 2HD2 LEU 30 3.648 -3.837 -0.897 247 HD23 LEU 30 3HD2 LEU 30 5.166 -4.076 -1.777 248 H HIS 31 H HIS 31 4.508 -5.459 3.659 249 HA HIS 31 HA HIS 31 4.854 -8.321 3.868 250 HB2 HIS 31 1HB HIS 31 5.179 -6.173 5.926 251 HB3 HIS 31 2HB HIS 31 5.606 -7.877 6.158 252 HD1 HIS 31 HD1 HIS 31 6.749 -8.226 3.115 253 HD2 HIS 31 HD2 HIS 31 7.823 -5.302 5.910 254 HE1 HIS 31 HE1 HIS 31 9.050 -7.400 2.482 255 H ASP 32 H ASP 32 2.336 -6.222 5.054 256 HA ASP 32 HA ASP 32 0.972 -8.116 6.727 257 HB2 ASP 32 1HB ASP 32 0.662 -5.577 6.591 258 HB3 ASP 32 2HB ASP 32 -0.210 -5.836 5.074 259 H LEU 33 H LEU 33 0.970 -7.356 3.186 260 HA LEU 33 HA LEU 33 -1.205 -9.136 2.608 261 HB2 LEU 33 1HB LEU 33 0.975 -7.907 0.974 262 HB3 LEU 33 2HB LEU 33 0.196 -9.335 0.344 263 HG LEU 33 HG LEU 33 -1.409 -6.918 1.183 264 HD11 LEU 33 1HD1 LEU 33 -0.203 -7.584 -1.526 265 HD12 LEU 33 2HD1 LEU 33 0.212 -6.195 -0.500 266 HD13 LEU 33 3HD1 LEU 33 -1.397 -6.311 -1.234 267 HD21 LEU 33 1HD2 LEU 33 -1.941 -9.297 -0.662 268 HD22 LEU 33 2HD2 LEU 33 -3.058 -7.944 -0.402 269 HD23 LEU 33 3HD2 LEU 33 -2.664 -9.030 0.940 270 H GLN 34 H GLN 34 2.431 -9.702 2.440 271 HA GLN 34 HA GLN 34 1.940 -12.442 1.716 272 HB2 GLN 34 1HB GLN 34 4.198 -12.819 3.141 273 HB3 GLN 34 2HB GLN 34 4.159 -12.335 1.469 274 HG2 GLN 34 1HG GLN 34 4.127 -10.163 3.466 275 HG3 GLN 34 2HG GLN 34 5.589 -11.120 3.385 276 HE21 GLN 34 1HE2 GLN 34 4.812 -9.549 -0.298 277 HE22 GLN 34 2HE2 GLN 34 3.693 -10.660 0.442 278 H GLU 35 H GLU 35 2.202 -10.944 4.988 279 HA GLU 35 HA GLU 35 2.009 -13.424 6.398 280 HB2 GLU 35 1HB GLU 35 1.413 -10.563 7.081 281 HB3 GLU 35 2HB GLU 35 0.802 -11.833 8.144 282 HG2 GLU 35 1HG GLU 35 3.497 -12.511 7.637 283 HG3 GLU 35 2HG GLU 35 3.484 -10.765 7.928 284 H ARG 36 H ARG 36 -0.625 -11.137 5.403 285 HA ARG 36 HA ARG 36 -2.704 -12.795 6.497 286 HB2 ARG 36 1HB ARG 36 -2.748 -10.743 4.266 287 HB3 ARG 36 2HB ARG 36 -4.185 -11.555 4.887 288 HG2 ARG 36 1HG ARG 36 -3.766 -10.605 7.128 289 HG3 ARG 36 2HG ARG 36 -2.372 -9.733 6.472 290 HD2 ARG 36 1HD ARG 36 -3.991 -8.825 4.697 291 HD3 ARG 36 2HD ARG 36 -5.282 -9.438 5.744 292 HE ARG 36 HE ARG 36 -3.373 -7.723 7.126 293 HH11 ARG 36 1HH1 ARG 36 -6.314 -7.690 5.135 294 HH12 ARG 36 2HH1 ARG 36 -6.806 -6.128 5.708 295 HH21 ARG 36 1HH2 ARG 36 -4.062 -5.734 7.796 296 HH22 ARG 36 2HH2 ARG 36 -5.576 -5.059 7.230 297 H LEU 37 H LEU 37 -1.102 -12.772 3.305 298 HA LEU 37 HA LEU 37 -2.917 -14.608 2.037 299 HB2 LEU 37 1HB LEU 37 -0.125 -13.671 1.638 300 HB3 LEU 37 2HB LEU 37 -0.468 -15.272 1.016 301 HG LEU 37 HG LEU 37 -2.190 -14.415 -0.448 302 HD11 LEU 37 1HD1 LEU 37 -3.014 -12.473 0.888 303 HD12 LEU 37 2HD1 LEU 37 -2.588 -12.022 -0.773 304 HD13 LEU 37 3HD1 LEU 37 -1.488 -11.626 0.547 305 HD21 LEU 37 1HD2 LEU 37 0.181 -14.482 -1.113 306 HD22 LEU 37 2HD2 LEU 37 0.378 -12.800 -0.563 307 HD23 LEU 37 3HD2 LEU 37 -0.696 -13.181 -1.923 308 H HIS 38 H HIS 38 0.085 -15.049 3.994 309 HA HIS 38 HA HIS 38 -0.112 -17.918 3.816 310 HB2 HIS 38 1HB HIS 38 1.440 -16.020 5.515 311 HB3 HIS 38 2HB HIS 38 1.323 -17.716 6.003 312 HD1 HIS 38 HD1 HIS 38 2.153 -19.530 4.144 313 HD2 HIS 38 HD2 HIS 38 3.236 -15.553 3.492 314 HE1 HIS 38 HE1 HIS 38 4.040 -19.550 2.464 315 H LYS 39 H LYS 39 -1.622 -15.588 6.095 316 HA LYS 39 HA LYS 39 -2.603 -17.701 7.851 317 HB2 LYS 39 1HB LYS 39 -3.944 -15.023 7.281 318 HB3 LYS 39 2HB LYS 39 -4.269 -16.098 8.638 319 HG2 LYS 39 1HG LYS 39 -1.769 -14.472 8.168 320 HG3 LYS 39 2HG LYS 39 -2.997 -14.189 9.382 321 HD2 LYS 39 1HD LYS 39 -2.371 -16.299 10.501 322 HD3 LYS 39 2HD LYS 39 -1.128 -16.585 9.257 323 HE2 LYS 39 1HE LYS 39 -0.080 -14.393 9.840 324 HE3 LYS 39 2HE LYS 39 -1.261 -14.204 11.151 325 HZ1 LYS 39 1HZ LYS 39 0.691 -16.411 10.932 326 HZ2 LYS 39 2HZ LYS 39 -0.355 -16.166 12.186 327 HZ3 LYS 39 3HZ LYS 39 0.865 -15.087 11.896 328 H ALA 40 H ALA 40 -3.901 -16.038 4.970 329 HA ALA 40 HA ALA 40 -6.428 -17.340 4.963 330 HB1 ALA 40 1HB ALA 40 -6.546 -16.624 2.598 331 HB2 ALA 40 2HB ALA 40 -5.930 -15.308 3.624 332 HB3 ALA 40 3HB ALA 40 -4.808 -16.250 2.613 333 H GLN 41 H GLN 41 -3.227 -18.285 3.665 334 HA GLN 41 HA GLN 41 -4.278 -20.647 2.376 335 HB2 GLN 41 1HB GLN 41 -2.035 -19.715 1.915 336 HB3 GLN 41 2HB GLN 41 -1.530 -20.091 3.562 337 HG2 GLN 41 1HG GLN 41 -1.755 -22.470 3.145 338 HG3 GLN 41 2HG GLN 41 -2.418 -22.151 1.535 339 HE21 GLN 41 1HE2 GLN 41 0.725 -22.318 0.112 340 HE22 GLN 41 2HE2 GLN 41 -0.971 -22.740 0.084 341 H GLU 42 H GLU 42 -2.484 -20.269 5.493 342 HA GLU 42 HA GLU 42 -2.694 -22.918 6.315 343 HB2 GLU 42 1HB GLU 42 -1.294 -21.034 7.264 344 HB3 GLU 42 2HB GLU 42 -2.717 -20.521 8.172 345 HG2 GLU 42 1HG GLU 42 -1.376 -21.817 9.659 346 HG3 GLU 42 2HG GLU 42 -2.763 -22.827 9.227 347 H GLU 43 H GLU 43 -5.105 -20.330 6.883 348 HA GLU 43 HA GLU 43 -6.717 -22.325 8.367 349 HB2 GLU 43 1HB GLU 43 -6.362 -19.975 9.182 350 HB3 GLU 43 2HB GLU 43 -7.363 -19.414 7.836 351 HG2 GLU 43 1HG GLU 43 -9.260 -20.719 8.676 352 HG3 GLU 43 2HG GLU 43 -8.251 -21.394 9.966 353 H HIS 44 H HIS 44 -6.996 -20.300 5.370 354 HA HIS 44 HA HIS 44 -9.676 -21.505 5.005 355 HB2 HIS 44 1HB HIS 44 -8.514 -19.286 3.332 356 HB3 HIS 44 2HB HIS 44 -10.197 -19.757 3.516 357 HD1 HIS 44 HD1 HIS 44 -10.518 -19.787 6.590 358 HD2 HIS 44 HD2 HIS 44 -8.393 -16.877 4.503 359 HE1 HIS 44 HE1 HIS 44 -10.401 -17.750 8.083 360 H ARG 45 H ARG 45 -6.595 -21.351 3.290 361 HA ARG 45 HA ARG 45 -5.931 -22.313 1.289 362 HB2 ARG 45 1HB ARG 45 -6.016 -24.764 1.336 363 HB3 ARG 45 2HB ARG 45 -5.542 -24.050 2.871 364 HG2 ARG 45 1HG ARG 45 -7.891 -24.392 3.694 365 HG3 ARG 45 2HG ARG 45 -8.233 -25.300 2.217 366 HD2 ARG 45 1HD ARG 45 -6.963 -27.086 2.888 367 HD3 ARG 45 2HD ARG 45 -5.822 -26.069 3.795 368 HE ARG 45 HE ARG 45 -8.332 -27.206 4.775 369 HH11 ARG 45 1HH1 ARG 45 -5.889 -24.733 5.316 370 HH12 ARG 45 2HH1 ARG 45 -6.282 -24.544 6.998 371 HH21 ARG 45 1HH2 ARG 45 -8.821 -26.901 6.947 372 HH22 ARG 45 2HH2 ARG 45 -7.934 -25.731 7.889 373 H THR 46 H THR 46 -8.018 -20.915 0.450 374 HA THR 46 HA THR 46 -10.122 -22.167 -0.899 375 HB THR 46 HB THR 46 -8.435 -19.914 -2.089 376 HG1 THR 46 HG1 THR 46 -8.796 -18.885 -0.292 377 HG21 THR 46 1HG2 THR 46 -10.666 -19.029 -2.735 378 HG22 THR 46 2HG2 THR 46 -11.433 -20.479 -2.046 379 HG23 THR 46 3HG2 THR 46 -10.357 -20.614 -3.455 380 H VAL 47 H VAL 47 -10.372 -22.980 -3.073 381 HA VAL 47 HA VAL 47 -8.445 -24.820 -3.903 382 HB VAL 47 HB VAL 47 -10.872 -24.730 -4.529 383 HG11 VAL 47 1HG1 VAL 47 -10.995 -22.381 -5.287 384 HG12 VAL 47 2HG1 VAL 47 -10.000 -22.797 -6.707 385 HG13 VAL 47 3HG1 VAL 47 -11.615 -23.511 -6.503 386 HG21 VAL 47 1HG2 VAL 47 -9.024 -25.155 -6.895 387 HG22 VAL 47 2HG2 VAL 47 -9.303 -26.323 -5.583 388 HG23 VAL 47 3HG2 VAL 47 -10.640 -25.863 -6.655 389 H GLU 48 H GLU 48 -8.441 -21.391 -4.679 390 HA GLU 48 HA GLU 48 -6.577 -21.747 -6.904 391 HB2 GLU 48 1HB GLU 48 -6.494 -19.287 -6.907 392 HB3 GLU 48 2HB GLU 48 -8.139 -19.915 -6.995 393 HG2 GLU 48 1HG GLU 48 -8.607 -19.314 -4.746 394 HG3 GLU 48 2HG GLU 48 -6.898 -19.024 -4.389 395 H VAL 49 H VAL 49 -5.867 -22.739 -4.119 396 HA VAL 49 HA VAL 49 -3.922 -21.143 -2.892 397 HB VAL 49 HB VAL 49 -4.917 -23.251 -1.977 398 HG11 VAL 49 1HG1 VAL 49 -4.660 -24.680 -3.995 399 HG12 VAL 49 2HG1 VAL 49 -2.898 -24.701 -3.739 400 HG13 VAL 49 3HG1 VAL 49 -3.985 -25.430 -2.538 401 HG21 VAL 49 1HG2 VAL 49 -2.943 -22.189 -0.946 402 HG22 VAL 49 2HG2 VAL 49 -2.968 -23.953 -0.722 403 HG23 VAL 49 3HG2 VAL 49 -1.883 -23.225 -1.933 404 H GLU 50 H GLU 50 -3.629 -23.006 -5.843 405 HA GLU 50 HA GLU 50 -0.764 -23.067 -6.034 406 HB2 GLU 50 1HB GLU 50 -2.828 -22.846 -8.244 407 HB3 GLU 50 2HB GLU 50 -1.179 -23.435 -8.428 408 HG2 GLU 50 1HG GLU 50 -1.697 -25.417 -7.126 409 HG3 GLU 50 2HG GLU 50 -3.312 -24.788 -6.741 410 H LYS 51 H LYS 51 -3.103 -20.550 -6.381 411 HA LYS 51 HA LYS 51 -1.148 -18.765 -7.775 412 HB2 LYS 51 1HB LYS 51 -4.183 -18.548 -7.683 413 HB3 LYS 51 2HB LYS 51 -3.077 -17.547 -8.624 414 HG2 LYS 51 1HG LYS 51 -3.632 -18.937 -10.320 415 HG3 LYS 51 2HG LYS 51 -2.439 -20.028 -9.595 416 HD2 LYS 51 1HD LYS 51 -4.287 -21.108 -8.283 417 HD3 LYS 51 2HD LYS 51 -5.454 -20.042 -9.082 418 HE2 LYS 51 1HE LYS 51 -4.895 -20.996 -11.258 419 HE3 LYS 51 2HE LYS 51 -3.605 -21.978 -10.534 420 HZ1 LYS 51 1HZ LYS 51 -5.146 -23.340 -9.475 421 HZ2 LYS 51 2HZ LYS 51 -5.817 -23.107 -10.956 422 HZ3 LYS 51 3HZ LYS 51 -6.407 -22.277 -9.657 423 H VAL 52 H VAL 52 -2.769 -19.367 -4.818 424 HA VAL 52 HA VAL 52 -3.385 -16.757 -3.918 425 HB VAL 52 HB VAL 52 -2.595 -19.309 -2.446 426 HG11 VAL 52 1HG1 VAL 52 -3.236 -18.139 -0.286 427 HG12 VAL 52 2HG1 VAL 52 -1.694 -17.600 -0.972 428 HG13 VAL 52 3HG1 VAL 52 -3.147 -16.592 -1.162 429 HG21 VAL 52 1HG2 VAL 52 -4.880 -19.097 -3.408 430 HG22 VAL 52 2HG2 VAL 52 -4.920 -19.196 -1.643 431 HG23 VAL 52 3HG2 VAL 52 -5.140 -17.636 -2.460 432 H HIS 53 H HIS 53 -0.212 -18.445 -3.912 433 HA HIS 53 HA HIS 53 0.955 -15.797 -3.380 434 HB2 HIS 53 1HB HIS 53 2.289 -16.492 -1.487 435 HB3 HIS 53 2HB HIS 53 0.569 -16.688 -1.160 436 HD1 HIS 53 HD1 HIS 53 2.528 -18.233 0.589 437 HD2 HIS 53 HD2 HIS 53 0.899 -19.775 -2.935 438 HE1 HIS 53 HE1 HIS 53 2.713 -20.749 0.724 439 H LEU 54 H LEU 54 3.242 -18.063 -2.612 440 HA LEU 54 HA LEU 54 5.169 -18.764 -3.566 441 HB2 LEU 54 1HB LEU 54 3.755 -18.666 -6.249 442 HB3 LEU 54 2HB LEU 54 5.237 -19.524 -5.867 443 HG LEU 54 HG LEU 54 2.505 -20.187 -4.711 444 HD11 LEU 54 1HD1 LEU 54 2.579 -22.122 -6.224 445 HD12 LEU 54 2HD1 LEU 54 4.113 -21.538 -6.914 446 HD13 LEU 54 3HD1 LEU 54 2.613 -20.598 -7.125 447 HD21 LEU 54 1HD2 LEU 54 3.606 -22.304 -4.010 448 HD22 LEU 54 2HD2 LEU 54 4.303 -20.891 -3.204 449 HD23 LEU 54 3HD2 LEU 54 5.172 -21.662 -4.556 450 H GLU 55 H GLU 55 6.898 -18.107 -5.231 451 HA GLU 55 HA GLU 55 7.545 -15.423 -4.754 452 HB2 GLU 55 1HB GLU 55 8.386 -17.201 -7.075 453 HB3 GLU 55 2HB GLU 55 9.119 -15.652 -6.662 454 HG2 GLU 55 1HG GLU 55 9.650 -16.642 -4.386 455 HG3 GLU 55 2HG GLU 55 9.216 -18.217 -5.083 456 H LYS 56 H LYS 56 5.749 -16.857 -7.467 457 HA LYS 56 HA LYS 56 5.830 -14.568 -9.138 458 HB2 LYS 56 1HB LYS 56 5.150 -16.984 -9.654 459 HB3 LYS 56 2HB LYS 56 3.554 -16.579 -9.025 460 HG2 LYS 56 1HG LYS 56 4.832 -14.936 -11.229 461 HG3 LYS 56 2HG LYS 56 4.016 -16.466 -11.586 462 HD2 LYS 56 1HD LYS 56 1.940 -15.591 -10.520 463 HD3 LYS 56 2HD LYS 56 2.757 -14.035 -10.271 464 HE2 LYS 56 1HE LYS 56 3.150 -13.870 -12.718 465 HE3 LYS 56 2HE LYS 56 2.232 -15.377 -12.946 466 HZ1 LYS 56 1HZ LYS 56 0.321 -14.250 -11.940 467 HZ2 LYS 56 2HZ LYS 56 0.844 -13.429 -13.274 468 HZ3 LYS 56 3HZ LYS 56 1.199 -12.860 -11.763 469 H LYS 57 H LYS 57 3.092 -15.571 -6.874 470 HA LYS 57 HA LYS 57 1.825 -13.046 -7.592 471 HB2 LYS 57 1HB LYS 57 0.627 -15.210 -6.898 472 HB3 LYS 57 2HB LYS 57 0.976 -14.720 -5.237 473 HG2 LYS 57 1HG LYS 57 -0.227 -12.629 -6.980 474 HG3 LYS 57 2HG LYS 57 -1.269 -14.013 -6.612 475 HD2 LYS 57 1HD LYS 57 -1.047 -13.644 -4.248 476 HD3 LYS 57 2HD LYS 57 0.180 -12.399 -4.485 477 HE2 LYS 57 1HE LYS 57 -1.432 -10.953 -5.574 478 HE3 LYS 57 2HE LYS 57 -2.670 -12.226 -5.494 479 HZ1 LYS 57 1HZ LYS 57 -1.371 -11.133 -3.076 480 HZ2 LYS 57 2HZ LYS 57 -2.751 -12.043 -3.171 481 HZ3 LYS 57 3HZ LYS 57 -2.744 -10.477 -3.716 482 H LEU 58 H LEU 58 3.905 -14.178 -4.923 483 HA LEU 58 HA LEU 58 3.369 -11.907 -3.256 484 HB2 LEU 58 1HB LEU 58 5.900 -13.560 -3.559 485 HB3 LEU 58 2HB LEU 58 5.644 -12.351 -2.303 486 HG LEU 58 HG LEU 58 3.975 -14.871 -2.648 487 HD11 LEU 58 1HD1 LEU 58 6.290 -15.356 -1.965 488 HD12 LEU 58 2HD1 LEU 58 5.151 -15.665 -0.638 489 HD13 LEU 58 3HD1 LEU 58 6.145 -14.189 -0.628 490 HD21 LEU 58 1HD2 LEU 58 3.226 -14.286 -0.311 491 HD22 LEU 58 2HD2 LEU 58 2.615 -13.238 -1.603 492 HD23 LEU 58 3HD2 LEU 58 3.945 -12.683 -0.579 493 H ARG 59 H ARG 59 5.805 -12.421 -5.883 494 HA ARG 59 HA ARG 59 6.888 -9.765 -5.591 495 HB2 ARG 59 1HB ARG 59 6.918 -11.734 -7.889 496 HB3 ARG 59 2HB ARG 59 7.669 -10.135 -7.997 497 HG2 ARG 59 1HG ARG 59 9.212 -10.620 -6.231 498 HG3 ARG 59 2HG ARG 59 8.343 -12.097 -5.788 499 HD2 ARG 59 1HD ARG 59 8.914 -13.063 -8.010 500 HD3 ARG 59 2HD ARG 59 9.916 -11.631 -8.343 501 HE ARG 59 HE ARG 59 10.922 -12.414 -5.967 502 HH11 ARG 59 1HH1 ARG 59 10.268 -14.359 -8.845 503 HH12 ARG 59 2HH1 ARG 59 11.445 -15.571 -8.390 504 HH21 ARG 59 1HH2 ARG 59 12.449 -13.961 -5.517 505 HH22 ARG 59 2HH2 ARG 59 12.649 -15.344 -6.560 506 H ASP 60 H ASP 60 4.200 -11.090 -7.592 507 HA ASP 60 HA ASP 60 3.749 -8.674 -9.032 508 HB2 ASP 60 1HB ASP 60 1.872 -10.898 -8.177 509 HB3 ASP 60 2HB ASP 60 1.328 -9.509 -9.122 510 H GLU 61 H GLU 61 2.295 -9.775 -5.902 511 HA GLU 61 HA GLU 61 0.588 -7.480 -5.736 512 HB2 GLU 61 1HB GLU 61 -0.000 -8.206 -3.565 513 HB3 GLU 61 2HB GLU 61 0.265 -9.662 -4.521 514 HG2 GLU 61 1HG GLU 61 2.531 -9.850 -3.493 515 HG3 GLU 61 2HG GLU 61 2.158 -8.479 -2.455 516 H ILE 62 H ILE 62 3.817 -8.155 -4.178 517 HA ILE 62 HA ILE 62 3.759 -5.585 -2.948 518 HB ILE 62 HB ILE 62 6.038 -5.876 -2.327 519 HG12 ILE 62 1HG1 ILE 62 6.242 -8.165 -4.287 520 HG13 ILE 62 2HG1 ILE 62 6.961 -6.577 -4.497 521 HG21 ILE 62 1HG2 ILE 62 5.860 -7.881 -1.040 522 HG22 ILE 62 2HG2 ILE 62 4.197 -7.318 -1.283 523 HG23 ILE 62 3HG2 ILE 62 4.823 -8.662 -2.248 524 HD11 ILE 62 1HD1 ILE 62 8.228 -6.962 -2.336 525 HD12 ILE 62 2HD1 ILE 62 7.640 -8.639 -2.380 526 HD13 ILE 62 3HD1 ILE 62 8.682 -8.035 -3.688 527 H ASN 63 H ASN 63 4.660 -6.610 -6.221 528 HA ASN 63 HA ASN 63 6.060 -4.143 -6.809 529 HB2 ASN 63 1HB ASN 63 4.747 -6.229 -8.556 530 HB3 ASN 63 2HB ASN 63 5.422 -4.736 -9.221 531 HD21 ASN 63 1HD2 ASN 63 7.985 -7.425 -9.365 532 HD22 ASN 63 2HD2 ASN 63 6.337 -7.273 -9.922 533 H LEU 64 H LEU 64 2.636 -5.179 -7.080 534 HA LEU 64 HA LEU 64 1.783 -2.737 -8.357 535 HB2 LEU 64 1HB LEU 64 0.543 -4.910 -8.264 536 HB3 LEU 64 2HB LEU 64 0.197 -4.622 -6.565 537 HG LEU 64 HG LEU 64 -0.648 -2.570 -8.604 538 HD11 LEU 64 1HD1 LEU 64 -1.332 -4.720 -9.560 539 HD12 LEU 64 2HD1 LEU 64 -2.745 -3.824 -8.967 540 HD13 LEU 64 3HD1 LEU 64 -2.094 -5.186 -8.019 541 HD21 LEU 64 1HD2 LEU 64 -1.047 -2.026 -6.243 542 HD22 LEU 64 2HD2 LEU 64 -1.880 -3.578 -5.995 543 HD23 LEU 64 3HD2 LEU 64 -2.592 -2.334 -7.050 544 H ALA 65 H ALA 65 1.826 -3.829 -4.921 545 HA ALA 65 HA ALA 65 0.743 -1.389 -3.898 546 HB1 ALA 65 1HB ALA 65 2.509 -3.520 -2.696 547 HB2 ALA 65 2HB ALA 65 1.899 -2.132 -1.758 548 HB3 ALA 65 3HB ALA 65 0.763 -3.290 -2.490 549 H LYS 66 H LYS 66 4.139 -2.364 -4.610 550 HA LYS 66 HA LYS 66 5.328 0.070 -3.620 551 HB2 LYS 66 1HB LYS 66 6.202 -2.027 -5.586 552 HB3 LYS 66 2HB LYS 66 7.132 -0.542 -5.399 553 HG2 LYS 66 1HG LYS 66 7.456 -0.998 -3.001 554 HG3 LYS 66 2HG LYS 66 6.529 -2.496 -3.146 555 HD2 LYS 66 1HD LYS 66 9.097 -1.904 -4.681 556 HD3 LYS 66 2HD LYS 66 9.017 -2.845 -3.176 557 HE2 LYS 66 1HE LYS 66 7.505 -4.465 -4.269 558 HE3 LYS 66 2HE LYS 66 7.582 -3.532 -5.764 559 HZ1 LYS 66 1HZ LYS 66 9.979 -4.000 -5.803 560 HZ2 LYS 66 2HZ LYS 66 9.024 -5.336 -5.966 561 HZ3 LYS 66 3HZ LYS 66 9.783 -5.029 -4.526 562 H GLN 67 H GLN 67 3.705 -0.736 -6.677 563 HA GLN 67 HA GLN 67 4.724 1.568 -8.069 564 HB2 GLN 67 1HB GLN 67 3.653 -0.392 -9.203 565 HB3 GLN 67 2HB GLN 67 2.095 0.109 -8.535 566 HG2 GLN 67 1HG GLN 67 2.340 0.853 -10.855 567 HG3 GLN 67 2HG GLN 67 2.216 2.226 -9.748 568 HE21 GLN 67 1HE2 GLN 67 5.149 3.670 -10.856 569 HE22 GLN 67 2HE2 GLN 67 3.574 3.820 -10.108 570 H GLU 68 H GLU 68 1.603 0.951 -6.182 571 HA GLU 68 HA GLU 68 1.072 3.792 -6.462 572 HB2 GLU 68 1HB GLU 68 -0.146 1.835 -4.545 573 HB3 GLU 68 2HB GLU 68 -0.766 3.437 -4.990 574 HG2 GLU 68 1HG GLU 68 -0.513 0.968 -6.767 575 HG3 GLU 68 2HG GLU 68 -1.992 1.825 -6.331 576 H ALA 69 H ALA 69 3.100 1.970 -4.245 577 HA ALA 69 HA ALA 69 3.324 4.063 -2.268 578 HB1 ALA 69 1HB ALA 69 4.221 1.700 -2.029 579 HB2 ALA 69 2HB ALA 69 5.548 2.182 -3.114 580 HB3 ALA 69 3HB ALA 69 5.340 2.996 -1.551 581 H GLN 70 H GLN 70 4.738 3.562 -5.508 582 HA GLN 70 HA GLN 70 6.607 5.745 -5.364 583 HB2 GLN 70 1HB GLN 70 6.589 4.068 -7.239 584 HB3 GLN 70 2HB GLN 70 5.090 4.802 -7.820 585 HG2 GLN 70 1HG GLN 70 6.258 6.976 -8.068 586 HG3 GLN 70 2HG GLN 70 7.770 6.187 -7.600 587 HE21 GLN 70 1HE2 GLN 70 6.425 6.031 -11.382 588 HE22 GLN 70 2HE2 GLN 70 5.646 6.989 -10.131 589 H ARG 71 H ARG 71 3.078 5.496 -6.017 590 HA ARG 71 HA ARG 71 2.856 8.296 -6.710 591 HB2 ARG 71 1HB ARG 71 0.685 6.568 -5.501 592 HB3 ARG 71 2HB ARG 71 0.484 8.072 -6.381 593 HG2 ARG 71 1HG ARG 71 1.540 5.470 -7.535 594 HG3 ARG 71 2HG ARG 71 -0.092 6.095 -7.738 595 HD2 ARG 71 1HD ARG 71 2.399 7.528 -8.727 596 HD3 ARG 71 2HD ARG 71 1.446 6.409 -9.706 597 HE ARG 71 HE ARG 71 0.773 9.161 -8.993 598 HH11 ARG 71 1HH1 ARG 71 -0.632 6.061 -10.014 599 HH12 ARG 71 2HH1 ARG 71 -1.991 6.838 -10.783 600 HH21 ARG 71 1HH2 ARG 71 -0.989 10.044 -10.020 601 HH22 ARG 71 2HH2 ARG 71 -2.228 9.049 -10.737 602 H LEU 72 H LEU 72 2.766 6.556 -3.530 603 HA LEU 72 HA LEU 72 2.154 8.906 -1.990 604 HB2 LEU 72 1HB LEU 72 3.587 6.352 -1.379 605 HB3 LEU 72 2HB LEU 72 3.691 7.695 -0.273 606 HG LEU 72 HG LEU 72 2.037 6.713 0.755 607 HD11 LEU 72 1HD1 LEU 72 0.303 7.799 -1.452 608 HD12 LEU 72 2HD1 LEU 72 0.842 8.661 0.005 609 HD13 LEU 72 3HD1 LEU 72 -0.250 7.273 0.152 610 HD21 LEU 72 1HD2 LEU 72 2.260 4.688 -0.556 611 HD22 LEU 72 2HD2 LEU 72 1.155 5.352 -1.780 612 HD23 LEU 72 3HD2 LEU 72 0.575 5.005 -0.135 613 H LYS 73 H LYS 73 5.204 7.600 -3.301 614 HA LYS 73 HA LYS 73 6.888 9.619 -2.086 615 HB2 LYS 73 1HB LYS 73 7.717 7.482 -3.065 616 HB3 LYS 73 2HB LYS 73 7.252 8.059 -4.655 617 HG2 LYS 73 1HG LYS 73 8.868 10.092 -4.024 618 HG3 LYS 73 2HG LYS 73 9.563 8.874 -2.943 619 HD2 LYS 73 1HD LYS 73 10.785 8.697 -4.971 620 HD3 LYS 73 2HD LYS 73 9.643 7.335 -5.005 621 HE2 LYS 73 1HE LYS 73 8.094 8.728 -6.419 622 HE3 LYS 73 2HE LYS 73 9.301 10.027 -6.417 623 HZ1 LYS 73 1HZ LYS 73 10.824 8.527 -7.543 624 HZ2 LYS 73 2HZ LYS 73 9.426 8.666 -8.409 625 HZ3 LYS 73 3HZ LYS 73 9.713 7.306 -7.521 626 H GLU 74 H GLU 74 5.096 9.469 -5.199 627 HA GLU 74 HA GLU 74 6.146 11.964 -6.181 628 HB2 GLU 74 1HB GLU 74 3.698 10.320 -6.843 629 HB3 GLU 74 2HB GLU 74 4.012 11.885 -7.605 630 HG2 GLU 74 1HG GLU 74 6.176 11.087 -8.427 631 HG3 GLU 74 2HG GLU 74 5.907 9.519 -7.658 632 H LEU 75 H LEU 75 3.394 11.111 -4.089 633 HA LEU 75 HA LEU 75 2.254 13.743 -3.966 634 HB2 LEU 75 1HB LEU 75 2.329 11.370 -2.087 635 HB3 LEU 75 2HB LEU 75 1.631 12.889 -1.570 636 HG LEU 75 HG LEU 75 0.688 11.327 -3.973 637 HD11 LEU 75 1HD1 LEU 75 -0.548 11.479 -1.210 638 HD12 LEU 75 2HD1 LEU 75 0.297 10.077 -1.890 639 HD13 LEU 75 3HD1 LEU 75 -1.212 10.634 -2.627 640 HD21 LEU 75 1HD2 LEU 75 -0.186 13.812 -2.546 641 HD22 LEU 75 2HD2 LEU 75 -1.343 12.845 -3.487 642 HD23 LEU 75 3HD2 LEU 75 0.077 13.545 -4.279 643 H ARG 76 H ARG 76 4.782 12.066 -2.125 644 HA ARG 76 HA ARG 76 5.260 14.056 -0.171 645 HB2 ARG 76 1HB ARG 76 6.080 11.691 -0.222 646 HB3 ARG 76 2HB ARG 76 7.276 12.174 -1.418 647 HG2 ARG 76 1HG ARG 76 8.432 13.538 0.116 648 HG3 ARG 76 2HG ARG 76 7.106 13.432 1.305 649 HD2 ARG 76 1HD ARG 76 7.423 11.010 1.459 650 HD3 ARG 76 2HD ARG 76 8.753 11.102 0.283 651 HE ARG 76 HE ARG 76 9.519 12.862 2.244 652 HH11 ARG 76 1HH1 ARG 76 8.596 9.458 2.306 653 HH12 ARG 76 2HH1 ARG 76 9.600 9.106 3.687 654 HH21 ARG 76 1HH2 ARG 76 10.783 12.345 4.002 655 HH22 ARG 76 2HH2 ARG 76 10.816 10.719 4.631 656 H GLU 77 H GLU 77 6.580 13.690 -3.437 657 HA GLU 77 HA GLU 77 8.124 16.218 -3.093 658 HB2 GLU 77 1HB GLU 77 8.257 13.819 -4.849 659 HB3 GLU 77 2HB GLU 77 8.617 15.348 -5.646 660 HG2 GLU 77 1HG GLU 77 10.705 14.559 -4.933 661 HG3 GLU 77 2HG GLU 77 10.272 15.825 -3.775 662 H GLY 78 H GLY 78 5.036 15.812 -3.421 663 HA2 GLY 78 1HA GLY 78 4.603 16.911 -6.090 664 HA3 GLY 78 2HA GLY 78 3.390 16.330 -4.976 665 H THR 79 H THR 79 2.512 17.791 -3.364 666 HA THR 79 HA THR 79 2.952 20.658 -3.810 667 HB THR 79 HB THR 79 1.743 20.112 -5.885 668 HG1 THR 79 HG1 THR 79 -0.456 21.153 -5.033 669 HG21 THR 79 1HG2 THR 79 0.685 18.020 -5.308 670 HG22 THR 79 2HG2 THR 79 -0.570 19.173 -5.789 671 HG23 THR 79 3HG2 THR 79 -0.318 18.811 -4.069 672 H GLU 80 H GLU 80 1.349 22.003 -2.654 673 HA GLU 80 HA GLU 80 0.908 21.154 0.035 674 HB2 GLU 80 1HB GLU 80 1.119 23.538 -0.790 675 HB3 GLU 80 2HB GLU 80 -0.477 23.378 -1.532 676 HG2 GLU 80 1HG GLU 80 -1.431 22.925 0.742 677 HG3 GLU 80 2HG GLU 80 0.165 23.241 1.437 678 H ASN 81 H ASN 81 -1.141 21.208 -2.852 679 HA ASN 81 HA ASN 81 -2.970 19.196 -1.875 680 HB2 ASN 81 1HB ASN 81 -5.002 20.659 -1.939 681 HB3 ASN 81 2HB ASN 81 -3.925 21.079 -0.603 682 HD21 ASN 81 1HD2 ASN 81 -3.569 24.368 -1.572 683 HD22 ASN 81 2HD2 ASN 81 -3.458 23.133 -0.343 684 H GLU 82 H GLU 82 -4.696 18.887 -3.647 685 HA GLU 82 HA GLU 82 -3.435 19.320 -6.226 686 HB2 GLU 82 1HB GLU 82 -4.785 17.294 -5.471 687 HB3 GLU 82 2HB GLU 82 -6.229 18.265 -5.770 688 HG2 GLU 82 1HG GLU 82 -5.330 18.645 -8.111 689 HG3 GLU 82 2HG GLU 82 -4.080 17.456 -7.753 690 H ARG 83 H ARG 83 -3.622 21.871 -5.636 691 HA ARG 83 HA ARG 83 -5.774 22.706 -7.554 692 HB2 ARG 83 1HB ARG 83 -4.952 24.315 -5.110 693 HB3 ARG 83 2HB ARG 83 -6.054 24.846 -6.381 694 HG2 ARG 83 1HG ARG 83 -7.620 23.007 -5.804 695 HG3 ARG 83 2HG ARG 83 -6.525 22.487 -4.516 696 HD2 ARG 83 1HD ARG 83 -8.183 23.748 -3.436 697 HD3 ARG 83 2HD ARG 83 -6.775 24.815 -3.518 698 HE ARG 83 HE ARG 83 -9.256 24.995 -5.170 699 HH11 ARG 83 1HH1 ARG 83 -6.281 26.541 -4.054 700 HH12 ARG 83 2HH1 ARG 83 -6.741 28.095 -4.701 701 HH21 ARG 83 1HH2 ARG 83 -9.761 26.995 -5.980 702 HH22 ARG 83 2HH2 ARG 83 -8.677 28.343 -5.772 703 H SER 84 H SER 84 -5.119 25.007 -8.389 704 HA SER 84 HA SER 84 -3.685 26.148 -9.750 705 HB2 SER 84 1HB SER 84 -2.701 26.857 -7.611 706 HB3 SER 84 2HB SER 84 -1.630 25.446 -7.616 707 HG SER 84 HG SER 84 -1.666 27.600 -9.477 708 H ARG 85 H ARG 85 -0.804 24.332 -8.952 709 HA ARG 85 HA ARG 85 -0.600 23.367 -11.676 710 HB2 ARG 85 1HB ARG 85 0.988 22.681 -9.170 711 HB3 ARG 85 2HB ARG 85 1.388 22.130 -10.803 712 HG2 ARG 85 1HG ARG 85 1.538 24.547 -11.501 713 HG3 ARG 85 2HG ARG 85 1.385 24.987 -9.786 714 HD2 ARG 85 1HD ARG 85 3.394 23.613 -9.277 715 HD3 ARG 85 2HD ARG 85 3.533 23.200 -10.994 716 HE ARG 85 HE ARG 85 4.255 25.380 -11.491 717 HH11 ARG 85 1HH1 ARG 85 3.591 25.096 -8.030 718 HH12 ARG 85 2HH1 ARG 85 4.424 26.581 -7.658 719 HH21 ARG 85 1HH2 ARG 85 5.297 27.261 -10.933 720 HH22 ARG 85 2HH2 ARG 85 5.381 27.773 -9.270 721 H GLN 86 H GLN 86 -1.950 22.114 -8.744 722 HA GLN 86 HA GLN 86 -3.048 20.234 -8.197 723 HB2 GLN 86 1HB GLN 86 -3.282 19.897 -11.195 724 HB3 GLN 86 2HB GLN 86 -4.068 18.846 -10.024 725 HG2 GLN 86 1HG GLN 86 -5.191 20.859 -9.050 726 HG3 GLN 86 2HG GLN 86 -4.516 21.822 -10.368 727 HE21 GLN 86 1HE2 GLN 86 -7.593 19.192 -11.069 728 HE22 GLN 86 2HE2 GLN 86 -6.630 19.033 -9.623 729 H LYS 87 H LYS 87 -1.052 19.074 -10.951 730 HA LYS 87 HA LYS 87 0.132 17.133 -11.226 731 HB2 LYS 87 1HB LYS 87 1.497 18.484 -9.470 732 HB3 LYS 87 2HB LYS 87 0.946 17.263 -8.322 733 HG2 LYS 87 1HG LYS 87 1.870 15.646 -10.352 734 HG3 LYS 87 2HG LYS 87 2.908 17.052 -10.585 735 HD2 LYS 87 1HD LYS 87 4.118 15.586 -9.153 736 HD3 LYS 87 2HD LYS 87 3.518 16.883 -8.113 737 HE2 LYS 87 1HE LYS 87 3.241 14.752 -6.974 738 HE3 LYS 87 2HE LYS 87 1.647 15.393 -7.369 739 HZ1 LYS 87 1HZ LYS 87 1.841 13.017 -7.787 740 HZ2 LYS 87 2HZ LYS 87 3.023 13.269 -8.916 741 HZ3 LYS 87 3HZ LYS 87 1.488 13.836 -9.171 742 H TYR 88 H TYR 88 -2.600 16.699 -10.564 743 HA TYR 88 HA TYR 88 -4.073 15.111 -9.794 744 HB2 TYR 88 1HB TYR 88 -3.375 12.785 -10.502 745 HB3 TYR 88 2HB TYR 88 -3.325 14.028 -11.739 746 HD1 TYR 88 HD1 TYR 88 -1.194 11.917 -9.516 747 HD2 TYR 88 HD2 TYR 88 -1.258 14.599 -12.874 748 HE1 TYR 88 HE1 TYR 88 1.172 11.314 -10.045 749 HE2 TYR 88 HE2 TYR 88 1.121 14.004 -13.379 750 HH TYR 88 HH TYR 88 2.929 12.662 -12.799 751 H ALA 89 H ALA 89 -2.639 16.065 -7.514 752 HA ALA 89 HA ALA 89 -1.449 13.919 -6.073 753 HB1 ALA 89 1HB ALA 89 -1.682 15.475 -4.117 754 HB2 ALA 89 2HB ALA 89 -0.962 16.237 -5.550 755 HB3 ALA 89 3HB ALA 89 -2.659 16.555 -5.129 756 H GLU 90 H GLU 90 -4.719 15.409 -5.525 757 HA GLU 90 HA GLU 90 -5.315 13.404 -3.532 758 HB2 GLU 90 1HB GLU 90 -6.651 15.732 -4.745 759 HB3 GLU 90 2HB GLU 90 -7.747 14.426 -4.272 760 HG2 GLU 90 1HG GLU 90 -7.521 15.974 -2.399 761 HG3 GLU 90 2HG GLU 90 -6.766 14.429 -1.983 762 H GLU 91 H GLU 91 -5.647 13.655 -7.020 763 HA GLU 91 HA GLU 91 -7.340 11.361 -7.395 764 HB2 GLU 91 1HB GLU 91 -6.784 12.967 -9.191 765 HB3 GLU 91 2HB GLU 91 -5.097 12.476 -9.118 766 HG2 GLU 91 1HG GLU 91 -6.794 10.156 -9.548 767 HG3 GLU 91 2HG GLU 91 -7.128 11.409 -10.748 768 H GLU 92 H GLU 92 -3.731 11.702 -6.986 769 HA GLU 92 HA GLU 92 -3.487 8.869 -7.517 770 HB2 GLU 92 1HB GLU 92 -1.210 9.025 -7.299 771 HB3 GLU 92 2HB GLU 92 -1.746 10.492 -8.095 772 HG2 GLU 92 1HG GLU 92 -1.518 11.633 -5.882 773 HG3 GLU 92 2HG GLU 92 -0.710 10.176 -5.305 774 H LEU 93 H LEU 93 -4.098 10.795 -4.730 775 HA LEU 93 HA LEU 93 -3.457 8.809 -2.740 776 HB2 LEU 93 1HB LEU 93 -4.045 11.206 -2.252 777 HB3 LEU 93 2HB LEU 93 -5.697 10.859 -2.757 778 HG LEU 93 HG LEU 93 -5.709 9.048 -0.924 779 HD11 LEU 93 1HD1 LEU 93 -3.289 10.688 -0.055 780 HD12 LEU 93 2HD1 LEU 93 -3.330 8.956 -0.437 781 HD13 LEU 93 3HD1 LEU 93 -4.184 9.554 0.993 782 HD21 LEU 93 1HD2 LEU 93 -5.686 12.029 -0.396 783 HD22 LEU 93 2HD2 LEU 93 -6.250 10.815 0.792 784 HD23 LEU 93 3HD2 LEU 93 -7.069 10.985 -0.771 785 H GLU 94 H GLU 94 -6.334 9.485 -4.790 786 HA GLU 94 HA GLU 94 -7.903 7.320 -3.686 787 HB2 GLU 94 1HB GLU 94 -8.075 9.121 -6.062 788 HB3 GLU 94 2HB GLU 94 -8.986 7.608 -6.117 789 HG2 GLU 94 1HG GLU 94 -9.193 9.573 -3.816 790 HG3 GLU 94 2HG GLU 94 -10.238 9.632 -5.247 791 H GLN 95 H GLN 95 -5.397 7.537 -6.175 792 HA GLN 95 HA GLN 95 -5.902 4.870 -7.213 793 HB2 GLN 95 1HB GLN 95 -4.109 7.036 -7.724 794 HB3 GLN 95 2HB GLN 95 -3.156 5.573 -7.512 795 HG2 GLN 95 1HG GLN 95 -3.740 5.913 -9.860 796 HG3 GLN 95 2HG GLN 95 -4.504 4.447 -9.231 797 HE21 GLN 95 1HE2 GLN 95 -6.842 7.708 -10.143 798 HE22 GLN 95 2HE2 GLN 95 -5.161 7.948 -9.741 799 H VAL 96 H VAL 96 -3.976 6.190 -4.503 800 HA VAL 96 HA VAL 96 -2.735 3.630 -3.858 801 HB VAL 96 HB VAL 96 -3.255 6.120 -2.182 802 HG11 VAL 96 1HG1 VAL 96 -3.063 4.178 -0.682 803 HG12 VAL 96 2HG1 VAL 96 -1.567 3.672 -1.504 804 HG13 VAL 96 3HG1 VAL 96 -1.615 5.191 -0.576 805 HG21 VAL 96 1HG2 VAL 96 -0.982 6.678 -2.612 806 HG22 VAL 96 2HG2 VAL 96 -0.629 5.083 -3.298 807 HG23 VAL 96 3HG2 VAL 96 -1.646 6.228 -4.179 808 H ARG 97 H ARG 97 -5.735 5.311 -3.018 809 HA ARG 97 HA ARG 97 -6.690 3.405 -1.094 810 HB2 ARG 97 1HB ARG 97 -7.539 5.735 -1.568 811 HB3 ARG 97 2HB ARG 97 -8.289 5.120 -3.020 812 HG2 ARG 97 1HG ARG 97 -8.970 3.861 -0.367 813 HG3 ARG 97 2HG ARG 97 -9.646 5.442 -0.787 814 HD2 ARG 97 1HD ARG 97 -10.017 2.842 -2.290 815 HD3 ARG 97 2HD ARG 97 -11.246 3.758 -1.411 816 HE ARG 97 HE ARG 97 -10.903 5.594 -3.127 817 HH11 ARG 97 1HH1 ARG 97 -10.087 2.266 -3.965 818 HH12 ARG 97 2HH1 ARG 97 -10.291 2.531 -5.684 819 HH21 ARG 97 1HH2 ARG 97 -11.163 5.868 -5.316 820 HH22 ARG 97 2HH2 ARG 97 -10.865 4.536 -6.423 821 H GLU 98 H GLU 98 -6.622 3.495 -4.660 822 HA GLU 98 HA GLU 98 -8.202 1.066 -4.941 823 HB2 GLU 98 1HB GLU 98 -7.945 2.830 -6.717 824 HB3 GLU 98 2HB GLU 98 -6.287 2.287 -6.944 825 HG2 GLU 98 1HG GLU 98 -7.585 1.263 -8.664 826 HG3 GLU 98 2HG GLU 98 -7.176 -0.011 -7.510 827 H ALA 99 H ALA 99 -4.714 1.819 -4.612 828 HA ALA 99 HA ALA 99 -3.582 -0.744 -5.133 829 HB1 ALA 99 1HB ALA 99 -1.727 0.025 -4.089 830 HB2 ALA 99 2HB ALA 99 -2.566 1.575 -4.305 831 HB3 ALA 99 3HB ALA 99 -2.620 0.757 -2.740 832 H LEU 100 H LEU 100 -4.909 0.716 -2.124 833 HA LEU 100 HA LEU 100 -4.652 -1.629 -0.501 834 HB2 LEU 100 1HB LEU 100 -4.986 0.655 0.387 835 HB3 LEU 100 2HB LEU 100 -6.609 0.688 -0.295 836 HG LEU 100 HG LEU 100 -7.288 -1.153 1.219 837 HD11 LEU 100 1HD1 LEU 100 -4.492 -0.812 2.385 838 HD12 LEU 100 2HD1 LEU 100 -5.158 -2.276 1.617 839 HD13 LEU 100 3HD1 LEU 100 -5.822 -1.711 3.159 840 HD21 LEU 100 1HD2 LEU 100 -6.042 1.256 2.600 841 HD22 LEU 100 2HD2 LEU 100 -7.328 0.215 3.258 842 HD23 LEU 100 3HD2 LEU 100 -7.641 1.205 1.818 843 H ARG 101 H ARG 101 -7.405 -0.345 -2.387 844 HA ARG 101 HA ARG 101 -9.312 -2.316 -1.639 845 HB2 ARG 101 1HB ARG 101 -9.681 -0.157 -2.917 846 HB3 ARG 101 2HB ARG 101 -8.993 -0.948 -4.333 847 HG2 ARG 101 1HG ARG 101 -10.872 -2.685 -4.062 848 HG3 ARG 101 2HG ARG 101 -11.616 -1.490 -2.966 849 HD2 ARG 101 1HD ARG 101 -11.244 0.225 -4.786 850 HD3 ARG 101 2HD ARG 101 -10.753 -1.103 -5.839 851 HE ARG 101 HE ARG 101 -13.350 -1.582 -4.716 852 HH11 ARG 101 1HH1 ARG 101 -11.682 0.258 -7.246 853 HH12 ARG 101 2HH1 ARG 101 -13.133 0.405 -8.210 854 HH21 ARG 101 1HH2 ARG 101 -15.153 -1.350 -6.015 855 HH22 ARG 101 2HH2 ARG 101 -15.050 -0.503 -7.534 856 H LYS 102 H LYS 102 -6.834 -2.298 -4.218 857 HA LYS 102 HA LYS 102 -7.678 -4.741 -5.447 858 HB2 LYS 102 1HB LYS 102 -6.088 -3.019 -6.411 859 HB3 LYS 102 2HB LYS 102 -4.868 -3.582 -5.270 860 HG2 LYS 102 1HG LYS 102 -4.370 -4.617 -7.319 861 HG3 LYS 102 2HG LYS 102 -5.099 -5.885 -6.323 862 HD2 LYS 102 1HD LYS 102 -7.246 -5.586 -7.487 863 HD3 LYS 102 2HD LYS 102 -6.577 -4.216 -8.397 864 HE2 LYS 102 1HE LYS 102 -6.549 -6.150 -9.831 865 HE3 LYS 102 2HE LYS 102 -4.876 -5.759 -9.389 866 HZ1 LYS 102 1HZ LYS 102 -6.498 -7.843 -8.055 867 HZ2 LYS 102 2HZ LYS 102 -4.901 -7.529 -7.787 868 HZ3 LYS 102 3HZ LYS 102 -5.386 -8.139 -9.236 869 H ALA 103 H ALA 103 -5.276 -4.004 -2.897 870 HA ALA 103 HA ALA 103 -4.371 -6.673 -2.544 871 HB1 ALA 103 1HB ALA 103 -4.550 -4.341 -0.573 872 HB2 ALA 103 2HB ALA 103 -3.620 -5.825 -0.301 873 HB3 ALA 103 3HB ALA 103 -3.175 -4.731 -1.630 874 H GLU 104 H GLU 104 -6.971 -4.837 -0.852 875 HA GLU 104 HA GLU 104 -7.650 -6.995 0.903 876 HB2 GLU 104 1HB GLU 104 -9.309 -4.660 -0.101 877 HB3 GLU 104 2HB GLU 104 -9.818 -5.759 1.185 878 HG2 GLU 104 1HG GLU 104 -7.233 -4.161 1.356 879 HG3 GLU 104 2HG GLU 104 -8.785 -3.500 1.880 880 H LYS 105 H LYS 105 -8.826 -6.159 -2.393 881 HA LYS 105 HA LYS 105 -10.858 -8.229 -2.356 882 HB2 LYS 105 1HB LYS 105 -9.505 -6.685 -4.576 883 HB3 LYS 105 2HB LYS 105 -10.661 -7.979 -4.892 884 HG2 LYS 105 1HG LYS 105 -12.070 -6.513 -3.069 885 HG3 LYS 105 2HG LYS 105 -11.124 -5.238 -3.845 886 HD2 LYS 105 1HD LYS 105 -13.115 -5.374 -5.095 887 HD3 LYS 105 2HD LYS 105 -11.904 -6.230 -6.073 888 HE2 LYS 105 1HE LYS 105 -12.714 -8.397 -5.081 889 HE3 LYS 105 2HE LYS 105 -13.958 -7.499 -4.200 890 HZ1 LYS 105 1HZ LYS 105 -13.692 -7.622 -7.144 891 HZ2 LYS 105 2HZ LYS 105 -14.865 -6.801 -6.320 892 HZ3 LYS 105 3HZ LYS 105 -14.798 -8.447 -6.241 893 H GLU 106 H GLU 106 -7.424 -8.177 -3.297 894 HA GLU 106 HA GLU 106 -7.462 -10.811 -4.483 895 HB2 GLU 106 1HB GLU 106 -5.305 -9.096 -3.227 896 HB3 GLU 106 2HB GLU 106 -4.975 -10.744 -3.779 897 HG2 GLU 106 1HG GLU 106 -5.622 -10.182 -6.046 898 HG3 GLU 106 2HG GLU 106 -6.125 -8.565 -5.547 899 H LEU 107 H LEU 107 -6.945 -9.492 -1.190 900 HA LEU 107 HA LEU 107 -6.487 -12.009 0.056 901 HB2 LEU 107 1HB LEU 107 -6.081 -9.830 1.136 902 HB3 LEU 107 2HB LEU 107 -7.812 -9.529 1.179 903 HG LEU 107 HG LEU 107 -8.124 -11.473 2.680 904 HD11 LEU 107 1HD1 LEU 107 -5.077 -11.590 2.614 905 HD12 LEU 107 2HD1 LEU 107 -6.209 -12.864 2.100 906 HD13 LEU 107 3HD1 LEU 107 -6.098 -12.424 3.812 907 HD21 LEU 107 1HD2 LEU 107 -7.120 -10.373 4.647 908 HD22 LEU 107 2HD2 LEU 107 -7.899 -9.213 3.546 909 HD23 LEU 107 3HD2 LEU 107 -6.129 -9.368 3.555 910 H GLU 108 H GLU 108 -9.579 -10.302 -0.719 911 HA GLU 108 HA GLU 108 -11.341 -12.092 0.618 912 HB2 GLU 108 1HB GLU 108 -11.689 -10.706 -2.068 913 HB3 GLU 108 2HB GLU 108 -12.965 -11.601 -1.273 914 HG2 GLU 108 1HG GLU 108 -13.158 -10.001 0.466 915 HG3 GLU 108 2HG GLU 108 -11.633 -9.228 0.030 916 H SER 109 H SER 109 -10.039 -12.245 -2.756 917 HA SER 109 HA SER 109 -11.263 -14.743 -3.374 918 HB2 SER 109 1HB SER 109 -9.113 -14.842 -4.967 919 HB3 SER 109 2HB SER 109 -10.492 -13.773 -5.281 920 HG SER 109 HG SER 109 -8.201 -12.977 -3.785 921 H HIS 110 H HIS 110 -8.167 -14.046 -1.739 922 HA HIS 110 HA HIS 110 -7.288 -16.820 -1.954 923 HB2 HIS 110 1HB HIS 110 -6.348 -14.583 -0.117 924 HB3 HIS 110 2HB HIS 110 -5.503 -16.105 -0.413 925 HD1 HIS 110 HD1 HIS 110 -6.252 -15.770 -3.706 926 HD2 HIS 110 HD2 HIS 110 -4.146 -13.215 -1.158 927 HE1 HIS 110 HE1 HIS 110 -4.755 -14.344 -5.150 928 H SER 111 H SER 111 -9.340 -15.016 0.173 929 HA SER 111 HA SER 111 -9.152 -17.054 2.341 930 HB2 SER 111 1HB SER 111 -10.435 -15.379 3.634 931 HB3 SER 111 2HB SER 111 -8.934 -14.689 2.974 932 HG SER 111 HG SER 111 -10.063 -13.621 1.443 933 H SER 112 H SER 112 -10.941 -16.576 -0.438 934 HA SER 112 HA SER 112 -13.619 -16.739 0.433 935 HB2 SER 112 1HB SER 112 -12.315 -17.783 -2.092 936 HB3 SER 112 2HB SER 112 -14.068 -17.672 -1.837 937 HG SER 112 HG SER 112 -12.452 -15.400 -1.379 938 H TRP 113 H TRP 113 -11.232 -19.234 0.524 939 HA TRP 113 HA TRP 113 -11.222 -21.299 1.420 940 HB2 TRP 113 1HB TRP 113 -12.376 -20.395 3.280 941 HB3 TRP 113 2HB TRP 113 -13.930 -20.448 2.453 942 HD1 TRP 113 HD1 TRP 113 -11.388 -22.806 4.105 943 HE1 TRP 113 HE1 TRP 113 -12.510 -24.996 4.726 944 HE3 TRP 113 HE3 TRP 113 -15.897 -21.933 1.867 945 HZ2 TRP 113 HZ2 TRP 113 -15.051 -26.241 4.303 946 HZ3 TRP 113 HZ3 TRP 113 -17.668 -23.703 2.000 947 HH2 TRP 113 HH2 TRP 113 -17.232 -25.838 3.214 948 H TYR 114 H TYR 114 -14.121 -20.768 -0.548 949 HA TYR 114 HA TYR 114 -15.002 -23.414 -0.737 950 HB2 TYR 114 1HB TYR 114 -15.022 -21.251 -2.864 951 HB3 TYR 114 2HB TYR 114 -15.992 -22.730 -2.906 952 HD1 TYR 114 HD1 TYR 114 -17.410 -23.147 -0.618 953 HD2 TYR 114 HD2 TYR 114 -16.076 -19.312 -2.051 954 HE1 TYR 114 HE1 TYR 114 -19.168 -22.016 0.745 955 HE2 TYR 114 HE2 TYR 114 -17.841 -18.195 -0.686 956 HH TYR 114 HH TYR 114 -20.076 -20.033 1.403 957 H ALA 115 H ALA 115 -14.742 -25.128 -2.005 958 HA ALA 115 HA ALA 115 -12.793 -25.248 -4.163 959 HB1 ALA 115 1HB ALA 115 -12.437 -26.873 -1.583 960 HB2 ALA 115 2HB ALA 115 -11.506 -27.097 -3.083 961 HB3 ALA 115 3HB ALA 115 -11.332 -25.593 -2.141 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 13.628 33.196 7.423 2 H2 GLY 1 2H GLY 1 14.367 34.642 7.143 3 H3 GLY 1 3H GLY 1 15.154 33.234 6.796 4 HA2 GLY 1 1HA GLY 1 14.375 34.250 4.779 5 HA3 GLY 1 2HA GLY 1 13.570 32.698 5.082 6 H SER 2 H SER 2 12.052 33.984 3.447 7 HA SER 2 HA SER 2 10.421 36.072 4.550 8 HB2 SER 2 1HB SER 2 10.543 35.695 2.132 9 HB3 SER 2 2HB SER 2 9.900 34.048 2.329 10 HG SER 2 HG SER 2 8.284 35.592 1.699 11 HA PRO 3 HA PRO 3 7.853 33.520 7.149 12 HB2 PRO 3 1HB PRO 3 5.588 35.022 7.370 13 HB3 PRO 3 2HB PRO 3 7.133 35.518 8.136 14 HG2 PRO 3 1HG PRO 3 5.989 36.374 5.484 15 HG3 PRO 3 2HG PRO 3 6.565 37.394 6.844 16 HD2 PRO 3 1HD PRO 3 8.164 36.852 4.754 17 HD3 PRO 3 2HD PRO 3 8.822 36.874 6.427 18 H GLU 4 H GLU 4 7.239 34.203 3.875 19 HA GLU 4 HA GLU 4 4.717 32.913 3.507 20 HB2 GLU 4 1HB GLU 4 7.122 33.247 1.710 21 HB3 GLU 4 2HB GLU 4 5.564 32.601 1.164 22 HG2 GLU 4 1HG GLU 4 4.442 34.659 1.626 23 HG3 GLU 4 2HG GLU 4 5.839 35.308 2.496 24 H PHE 5 H PHE 5 7.983 31.750 4.081 25 HA PHE 5 HA PHE 5 7.601 29.037 3.256 26 HB2 PHE 5 1HB PHE 5 9.807 29.950 3.863 27 HB3 PHE 5 2HB PHE 5 9.260 30.210 5.524 28 HD1 PHE 5 HD1 PHE 5 9.271 28.456 7.139 29 HD2 PHE 5 HD2 PHE 5 10.025 27.576 2.993 30 HE1 PHE 5 HE1 PHE 5 9.983 26.151 7.764 31 HE2 PHE 5 HE2 PHE 5 10.730 25.267 3.606 32 HZ PHE 5 HZ PHE 5 10.696 24.545 5.993 33 H ASN 6 H ASN 6 6.869 30.803 6.290 34 HA ASN 6 HA ASN 6 5.856 28.444 7.625 35 HB2 ASN 6 1HB ASN 6 5.321 31.387 8.195 36 HB3 ASN 6 2HB ASN 6 4.959 30.038 9.276 37 HD21 ASN 6 1HD2 ASN 6 8.150 29.930 10.635 38 HD22 ASN 6 2HD2 ASN 6 6.496 29.368 10.656 39 H ARG 7 H ARG 7 4.470 31.075 5.649 40 HA ARG 7 HA ARG 7 1.707 30.383 6.031 41 HB2 ARG 7 1HB ARG 7 3.065 31.576 3.591 42 HB3 ARG 7 2HB ARG 7 1.328 31.456 3.808 43 HG2 ARG 7 1HG ARG 7 1.405 32.994 5.702 44 HG3 ARG 7 2HG ARG 7 3.174 33.086 5.575 45 HD2 ARG 7 1HD ARG 7 2.915 33.893 3.216 46 HD3 ARG 7 2HD ARG 7 1.162 33.930 3.451 47 HE ARG 7 HE ARG 7 2.201 35.480 5.511 48 HH11 ARG 7 1HH1 ARG 7 2.384 35.617 1.979 49 HH12 ARG 7 2HH1 ARG 7 2.530 37.352 1.963 50 HH21 ARG 7 1HH2 ARG 7 2.381 37.702 5.400 51 HH22 ARG 7 2HH2 ARG 7 2.535 38.503 3.860 52 H TYR 8 H TYR 8 4.237 28.754 4.290 53 HA TYR 8 HA TYR 8 2.241 27.140 2.757 54 HB2 TYR 8 1HB TYR 8 4.311 28.365 1.810 55 HB3 TYR 8 2HB TYR 8 5.274 27.133 2.615 56 HD1 TYR 8 HD1 TYR 8 5.585 24.963 1.599 57 HD2 TYR 8 HD2 TYR 8 2.696 27.712 -0.019 58 HE1 TYR 8 HE1 TYR 8 5.378 23.549 -0.452 59 HE2 TYR 8 HE2 TYR 8 2.498 26.301 -2.054 60 HH TYR 8 HH TYR 8 3.059 24.338 -3.043 61 H SER 9 H SER 9 4.398 26.978 5.540 62 HA SER 9 HA SER 9 5.083 24.213 5.221 63 HB2 SER 9 1HB SER 9 6.009 24.362 7.469 64 HB3 SER 9 2HB SER 9 6.474 25.773 6.500 65 HG SER 9 HG SER 9 5.640 26.088 8.752 66 H LYS 10 H LYS 10 2.481 25.796 7.052 67 HA LYS 10 HA LYS 10 1.809 23.641 8.722 68 HB2 LYS 10 1HB LYS 10 -0.673 24.765 7.872 69 HB3 LYS 10 2HB LYS 10 0.186 24.989 9.382 70 HG2 LYS 10 1HG LYS 10 -0.245 27.161 8.586 71 HG3 LYS 10 2HG LYS 10 1.471 26.890 8.293 72 HD2 LYS 10 1HD LYS 10 0.605 28.001 6.378 73 HD3 LYS 10 2HD LYS 10 0.873 26.333 5.875 74 HE2 LYS 10 1HE LYS 10 -1.572 25.891 6.216 75 HE3 LYS 10 2HE LYS 10 -1.789 27.615 6.590 76 HZ1 LYS 10 1HZ LYS 10 -2.225 27.221 4.253 77 HZ2 LYS 10 2HZ LYS 10 -0.760 26.482 4.031 78 HZ3 LYS 10 3HZ LYS 10 -0.820 28.091 4.367 79 H GLU 11 H GLU 11 0.298 24.299 5.499 80 HA GLU 11 HA GLU 11 -0.921 21.642 5.697 81 HB2 GLU 11 1HB GLU 11 -1.162 23.860 3.691 82 HB3 GLU 11 2HB GLU 11 -1.886 22.284 3.435 83 HG2 GLU 11 1HG GLU 11 -2.434 24.056 5.833 84 HG3 GLU 11 2HG GLU 11 -3.416 24.043 4.361 85 H HIS 12 H HIS 12 1.941 23.091 4.076 86 HA HIS 12 HA HIS 12 2.183 20.948 2.172 87 HB2 HIS 12 1HB HIS 12 3.610 22.993 2.131 88 HB3 HIS 12 2HB HIS 12 4.441 22.424 3.577 89 HD1 HIS 12 HD1 HIS 12 3.651 19.769 1.041 90 HD2 HIS 12 HD2 HIS 12 6.772 22.383 1.953 91 HE1 HIS 12 HE1 HIS 12 5.683 18.964 -0.231 92 H MET 13 H MET 13 3.402 21.322 5.556 93 HA MET 13 HA MET 13 4.550 18.669 5.533 94 HB2 MET 13 1HB MET 13 3.853 20.527 7.821 95 HB3 MET 13 2HB MET 13 4.714 18.994 8.001 96 HG2 MET 13 1HG MET 13 5.691 21.333 6.321 97 HG3 MET 13 2HG MET 13 6.226 20.961 7.967 98 HE1 MET 13 1HE MET 13 6.106 19.530 4.178 99 HE2 MET 13 2HE MET 13 7.309 20.816 4.427 100 HE3 MET 13 3HE MET 13 7.840 19.155 4.082 101 H LYS 14 H LYS 14 1.349 19.957 6.537 102 HA LYS 14 HA LYS 14 0.557 17.545 7.865 103 HB2 LYS 14 1HB LYS 14 -0.686 19.773 7.871 104 HB3 LYS 14 2HB LYS 14 -1.295 19.340 6.267 105 HG2 LYS 14 1HG LYS 14 -2.238 17.219 7.307 106 HG3 LYS 14 2HG LYS 14 -1.736 17.850 8.885 107 HD2 LYS 14 1HD LYS 14 -3.964 18.499 8.778 108 HD3 LYS 14 2HD LYS 14 -3.120 19.956 8.214 109 HE2 LYS 14 1HE LYS 14 -3.477 19.127 5.843 110 HE3 LYS 14 2HE LYS 14 -4.497 17.834 6.512 111 HZ1 LYS 14 1HZ LYS 14 -5.908 19.578 7.463 112 HZ2 LYS 14 2HZ LYS 14 -5.794 19.747 5.822 113 HZ3 LYS 14 3HZ LYS 14 -4.937 20.751 6.806 114 H LYS 15 H LYS 15 0.276 18.593 4.431 115 HA LYS 15 HA LYS 15 -0.987 16.150 3.575 116 HB2 LYS 15 1HB LYS 15 -1.098 18.105 2.163 117 HB3 LYS 15 2HB LYS 15 0.670 18.209 2.066 118 HG2 LYS 15 1HG LYS 15 0.846 16.311 0.736 119 HG3 LYS 15 2HG LYS 15 -0.779 15.742 1.152 120 HD2 LYS 15 1HD LYS 15 -1.795 17.445 -0.210 121 HD3 LYS 15 2HD LYS 15 -0.219 18.220 -0.500 122 HE2 LYS 15 1HE LYS 15 -0.931 16.795 -2.419 123 HE3 LYS 15 2HE LYS 15 0.590 16.244 -1.691 124 HZ1 LYS 15 1HZ LYS 15 -2.055 15.058 -1.049 125 HZ2 LYS 15 2HZ LYS 15 -0.558 14.502 -0.569 126 HZ3 LYS 15 3HZ LYS 15 -0.993 14.438 -2.155 127 H MET 16 H MET 16 2.445 17.193 3.697 128 HA MET 16 HA MET 16 3.594 14.925 2.492 129 HB2 MET 16 1HB MET 16 4.666 17.110 3.248 130 HB3 MET 16 2HB MET 16 4.728 16.446 4.872 131 HG2 MET 16 1HG MET 16 6.048 15.204 2.458 132 HG3 MET 16 2HG MET 16 6.847 16.343 3.533 133 HE1 MET 16 1HE MET 16 5.955 15.454 6.501 134 HE2 MET 16 2HE MET 16 7.290 14.339 6.859 135 HE3 MET 16 3HE MET 16 7.611 15.858 5.988 136 H MET 17 H MET 17 2.763 15.462 5.962 137 HA MET 17 HA MET 17 3.672 12.877 6.808 138 HB2 MET 17 1HB MET 17 1.654 14.823 7.971 139 HB3 MET 17 2HB MET 17 2.080 13.302 8.755 140 HG2 MET 17 1HG MET 17 4.003 15.561 8.113 141 HG3 MET 17 2HG MET 17 3.330 15.190 9.706 142 HE1 MET 17 1HE MET 17 5.111 11.821 10.674 143 HE2 MET 17 2HE MET 17 3.991 13.106 11.187 144 HE3 MET 17 3HE MET 17 3.504 11.948 9.924 145 H LYS 18 H LYS 18 0.460 14.059 5.716 146 HA LYS 18 HA LYS 18 -0.925 11.601 6.239 147 HB2 LYS 18 1HB LYS 18 -1.973 13.835 5.752 148 HB3 LYS 18 2HB LYS 18 -1.460 13.681 4.076 149 HG2 LYS 18 1HG LYS 18 -2.893 11.293 4.680 150 HG3 LYS 18 2HG LYS 18 -3.818 12.622 5.393 151 HD2 LYS 18 1HD LYS 18 -4.645 12.329 3.163 152 HD3 LYS 18 2HD LYS 18 -3.669 13.808 3.139 153 HE2 LYS 18 1HE LYS 18 -1.763 12.532 2.231 154 HE3 LYS 18 2HE LYS 18 -2.720 11.049 2.268 155 HZ1 LYS 18 1HZ LYS 18 -2.512 12.293 0.089 156 HZ2 LYS 18 2HZ LYS 18 -3.592 13.392 0.696 157 HZ3 LYS 18 3HZ LYS 18 -4.036 11.819 0.520 158 H ASP 19 H ASP 19 0.898 12.799 3.400 159 HA ASP 19 HA ASP 19 0.213 10.572 1.713 160 HB2 ASP 19 1HB ASP 19 2.542 12.522 1.667 161 HB3 ASP 19 2HB ASP 19 2.261 11.299 0.419 162 H LEU 20 H LEU 20 2.907 11.153 4.029 163 HA LEU 20 HA LEU 20 4.110 8.614 3.235 164 HB2 LEU 20 1HB LEU 20 4.890 10.892 4.787 165 HB3 LEU 20 2HB LEU 20 5.156 9.432 5.738 166 HG LEU 20 HG LEU 20 7.111 10.224 4.323 167 HD11 LEU 20 1HD1 LEU 20 6.077 7.415 3.792 168 HD12 LEU 20 2HD1 LEU 20 6.991 7.943 5.218 169 HD13 LEU 20 3HD1 LEU 20 7.759 7.961 3.617 170 HD21 LEU 20 1HD2 LEU 20 5.621 10.738 2.277 171 HD22 LEU 20 2HD2 LEU 20 5.623 9.004 1.947 172 HD23 LEU 20 3HD2 LEU 20 7.155 9.902 1.954 173 H GLU 21 H GLU 21 1.823 9.624 5.695 174 HA GLU 21 HA GLU 21 1.903 7.180 7.222 175 HB2 GLU 21 1HB GLU 21 0.662 9.271 7.893 176 HB3 GLU 21 2HB GLU 21 -0.464 8.982 6.565 177 HG2 GLU 21 1HG GLU 21 -0.942 6.723 7.655 178 HG3 GLU 21 2HG GLU 21 -0.087 7.349 9.075 179 H GLY 22 H GLY 22 0.240 8.306 4.264 180 HA2 GLY 22 1HA GLY 22 -1.203 5.875 3.787 181 HA3 GLY 22 2HA GLY 22 -0.814 7.123 2.589 182 H LEU 23 H LEU 23 2.070 6.989 2.864 183 HA LEU 23 HA LEU 23 2.616 4.855 1.052 184 HB2 LEU 23 1HB LEU 23 3.903 7.070 1.679 185 HB3 LEU 23 2HB LEU 23 4.786 5.998 2.761 186 HG LEU 23 HG LEU 23 4.503 5.611 -0.245 187 HD11 LEU 23 1HD1 LEU 23 5.736 7.613 0.187 188 HD12 LEU 23 2HD1 LEU 23 6.883 6.345 -0.259 189 HD13 LEU 23 3HD1 LEU 23 6.717 6.810 1.442 190 HD21 LEU 23 1HD2 LEU 23 6.473 4.076 0.041 191 HD22 LEU 23 2HD2 LEU 23 5.004 3.479 0.818 192 HD23 LEU 23 3HD2 LEU 23 6.283 4.215 1.807 193 H HIS 24 H HIS 24 3.160 5.197 4.618 194 HA HIS 24 HA HIS 24 4.292 2.534 4.835 195 HB2 HIS 24 1HB HIS 24 4.705 4.300 6.504 196 HB3 HIS 24 2HB HIS 24 3.001 4.249 6.975 197 HD1 HIS 24 HD1 HIS 24 5.718 1.478 6.580 198 HD2 HIS 24 HD2 HIS 24 2.753 2.816 9.215 199 HE1 HIS 24 HE1 HIS 24 5.734 -0.070 8.557 200 H ARG 25 H ARG 25 0.976 3.867 5.015 201 HA ARG 25 HA ARG 25 -0.265 1.425 5.892 202 HB2 ARG 25 1HB ARG 25 -1.392 3.628 5.828 203 HB3 ARG 25 2HB ARG 25 -1.367 3.590 4.064 204 HG2 ARG 25 1HG ARG 25 -2.836 1.678 4.017 205 HG3 ARG 25 2HG ARG 25 -2.776 1.528 5.783 206 HD2 ARG 25 1HD ARG 25 -3.800 4.025 4.385 207 HD3 ARG 25 2HD ARG 25 -4.844 2.653 4.777 208 HE ARG 25 HE ARG 25 -4.493 3.030 7.115 209 HH11 ARG 25 1HH1 ARG 25 -3.169 5.665 5.142 210 HH12 ARG 25 2HH1 ARG 25 -3.157 6.764 6.510 211 HH21 ARG 25 1HH2 ARG 25 -4.416 4.524 8.762 212 HH22 ARG 25 2HH2 ARG 25 -3.825 6.150 8.457 213 H ALA 26 H ALA 26 0.846 2.570 2.691 214 HA ALA 26 HA ALA 26 -0.253 0.311 1.264 215 HB1 ALA 26 1HB ALA 26 1.179 1.013 -0.574 216 HB2 ALA 26 2HB ALA 26 0.450 2.456 0.169 217 HB3 ALA 26 3HB ALA 26 2.145 2.037 0.509 218 H GLU 27 H GLU 27 2.788 0.884 3.075 219 HA GLU 27 HA GLU 27 4.099 -1.523 2.231 220 HB2 GLU 27 1HB GLU 27 5.084 0.449 3.545 221 HB3 GLU 27 2HB GLU 27 4.372 -0.321 4.972 222 HG2 GLU 27 1HG GLU 27 5.609 -2.451 4.032 223 HG3 GLU 27 2HG GLU 27 6.612 -1.243 3.219 224 H GLN 28 H GLN 28 1.923 -0.692 4.900 225 HA GLN 28 HA GLN 28 1.809 -3.306 6.054 226 HB2 GLN 28 1HB GLN 28 -0.209 -1.038 6.097 227 HB3 GLN 28 2HB GLN 28 -0.351 -2.519 7.043 228 HG2 GLN 28 1HG GLN 28 1.903 -0.487 7.286 229 HG3 GLN 28 2HG GLN 28 0.537 -0.651 8.389 230 HE21 GLN 28 1HE2 GLN 28 3.556 -2.407 9.742 231 HE22 GLN 28 2HE2 GLN 28 3.264 -0.789 9.141 232 H SER 29 H SER 29 0.137 -1.826 3.243 233 HA SER 29 HA SER 29 -1.719 -4.025 3.042 234 HB2 SER 29 1HB SER 29 -2.374 -3.211 0.955 235 HB3 SER 29 2HB SER 29 -1.950 -1.765 1.887 236 HG SER 29 HG SER 29 0.183 -1.974 0.803 237 H LEU 30 H LEU 30 1.629 -3.530 1.859 238 HA LEU 30 HA LEU 30 1.831 -5.906 0.189 239 HB2 LEU 30 1HB LEU 30 4.030 -5.167 2.110 240 HB3 LEU 30 2HB LEU 30 4.153 -5.824 0.514 241 HG LEU 30 HG LEU 30 3.513 -2.981 1.184 242 HD11 LEU 30 1HD1 LEU 30 5.748 -3.654 1.934 243 HD12 LEU 30 2HD1 LEU 30 5.857 -2.518 0.575 244 HD13 LEU 30 3HD1 LEU 30 6.119 -4.258 0.301 245 HD21 LEU 30 1HD2 LEU 30 4.646 -3.514 -1.449 246 HD22 LEU 30 2HD2 LEU 30 3.388 -2.381 -0.923 247 HD23 LEU 30 3HD2 LEU 30 2.986 -4.086 -1.196 248 H HIS 31 H HIS 31 2.376 -5.214 3.723 249 HA HIS 31 HA HIS 31 2.885 -8.030 4.164 250 HB2 HIS 31 1HB HIS 31 2.433 -5.849 6.181 251 HB3 HIS 31 2HB HIS 31 3.137 -7.446 6.487 252 HD1 HIS 31 HD1 HIS 31 4.943 -7.508 3.793 253 HD2 HIS 31 HD2 HIS 31 4.756 -4.379 6.610 254 HE1 HIS 31 HE1 HIS 31 7.110 -6.157 3.588 255 H ASP 32 H ASP 32 -0.054 -6.162 4.421 256 HA ASP 32 HA ASP 32 -1.573 -8.078 5.939 257 HB2 ASP 32 1HB ASP 32 -2.252 -5.690 5.415 258 HB3 ASP 32 2HB ASP 32 -2.509 -6.184 3.735 259 H LEU 33 H LEU 33 -0.818 -7.545 2.488 260 HA LEU 33 HA LEU 33 -2.339 -9.733 1.470 261 HB2 LEU 33 1HB LEU 33 -0.014 -8.121 0.510 262 HB3 LEU 33 2HB LEU 33 -0.363 -9.636 -0.300 263 HG LEU 33 HG LEU 33 -2.576 -7.669 0.111 264 HD11 LEU 33 1HD1 LEU 33 -1.941 -6.737 -2.201 265 HD12 LEU 33 2HD1 LEU 33 -0.332 -7.422 -1.911 266 HD13 LEU 33 3HD1 LEU 33 -0.974 -6.187 -0.820 267 HD21 LEU 33 1HD2 LEU 33 -3.433 -8.675 -1.906 268 HD22 LEU 33 2HD2 LEU 33 -2.941 -9.972 -0.807 269 HD23 LEU 33 3HD2 LEU 33 -1.909 -9.545 -2.182 270 H GLN 34 H GLN 34 1.115 -9.512 2.489 271 HA GLN 34 HA GLN 34 1.750 -12.228 2.014 272 HB2 GLN 34 1HB GLN 34 2.733 -10.197 4.015 273 HB3 GLN 34 2HB GLN 34 3.183 -11.884 4.229 274 HG2 GLN 34 1HG GLN 34 4.969 -11.165 3.029 275 HG3 GLN 34 2HG GLN 34 3.920 -11.721 1.718 276 HE21 GLN 34 1HE2 GLN 34 3.592 -8.616 0.212 277 HE22 GLN 34 2HE2 GLN 34 3.163 -10.308 0.219 278 H GLU 35 H GLU 35 0.627 -10.810 5.148 279 HA GLU 35 HA GLU 35 0.590 -13.337 6.448 280 HB2 GLU 35 1HB GLU 35 0.653 -11.093 7.573 281 HB3 GLU 35 2HB GLU 35 -1.067 -10.905 7.190 282 HG2 GLU 35 1HG GLU 35 -1.521 -13.027 8.459 283 HG3 GLU 35 2HG GLU 35 0.188 -13.082 8.912 284 H ARG 36 H ARG 36 -2.138 -11.501 4.916 285 HA ARG 36 HA ARG 36 -4.001 -13.550 5.794 286 HB2 ARG 36 1HB ARG 36 -4.227 -11.290 3.819 287 HB3 ARG 36 2HB ARG 36 -5.555 -12.409 4.150 288 HG2 ARG 36 1HG ARG 36 -5.684 -11.734 6.442 289 HG3 ARG 36 2HG ARG 36 -4.158 -10.839 6.333 290 HD2 ARG 36 1HD ARG 36 -5.945 -9.258 6.296 291 HD3 ARG 36 2HD ARG 36 -5.186 -9.308 4.704 292 HE ARG 36 HE ARG 36 -7.450 -11.064 4.784 293 HH11 ARG 36 1HH1 ARG 36 -6.606 -7.635 4.537 294 HH12 ARG 36 2HH1 ARG 36 -8.142 -7.227 3.799 295 HH21 ARG 36 1HH2 ARG 36 -9.352 -10.465 3.772 296 HH22 ARG 36 2HH2 ARG 36 -9.642 -8.799 3.349 297 H LEU 37 H LEU 37 -1.876 -13.301 2.992 298 HA LEU 37 HA LEU 37 -3.344 -15.378 1.521 299 HB2 LEU 37 1HB LEU 37 -1.793 -13.705 0.464 300 HB3 LEU 37 2HB LEU 37 -0.448 -14.478 1.293 301 HG LEU 37 HG LEU 37 -0.949 -16.585 0.017 302 HD11 LEU 37 1HD1 LEU 37 -3.276 -16.277 -0.547 303 HD12 LEU 37 2HD1 LEU 37 -2.363 -16.249 -2.064 304 HD13 LEU 37 3HD1 LEU 37 -2.930 -14.730 -1.352 305 HD21 LEU 37 1HD2 LEU 37 0.029 -15.742 -2.073 306 HD22 LEU 37 2HD2 LEU 37 0.783 -14.960 -0.669 307 HD23 LEU 37 3HD2 LEU 37 -0.420 -14.074 -1.628 308 H HIS 38 H HIS 38 -0.461 -15.116 3.623 309 HA HIS 38 HA HIS 38 0.252 -17.870 3.629 310 HB2 HIS 38 1HB HIS 38 0.676 -15.557 5.472 311 HB3 HIS 38 2HB HIS 38 0.879 -17.171 6.155 312 HD1 HIS 38 HD1 HIS 38 2.907 -18.588 5.359 313 HD2 HIS 38 HD2 HIS 38 2.602 -14.846 3.540 314 HE1 HIS 38 HE1 HIS 38 5.086 -18.181 4.133 315 H LYS 39 H LYS 39 -2.070 -16.019 5.656 316 HA LYS 39 HA LYS 39 -2.950 -18.392 7.072 317 HB2 LYS 39 1HB LYS 39 -4.085 -15.612 6.721 318 HB3 LYS 39 2HB LYS 39 -4.921 -16.873 7.640 319 HG2 LYS 39 1HG LYS 39 -3.002 -17.118 9.120 320 HG3 LYS 39 2HG LYS 39 -2.112 -15.883 8.214 321 HD2 LYS 39 1HD LYS 39 -3.734 -14.194 8.820 322 HD3 LYS 39 2HD LYS 39 -4.761 -15.417 9.608 323 HE2 LYS 39 1HE LYS 39 -3.011 -15.909 11.225 324 HE3 LYS 39 2HE LYS 39 -1.910 -14.763 10.423 325 HZ1 LYS 39 1HZ LYS 39 -3.101 -13.889 12.403 326 HZ2 LYS 39 2HZ LYS 39 -4.508 -13.953 11.547 327 HZ3 LYS 39 3HZ LYS 39 -3.269 -12.970 11.043 328 H ALA 40 H ALA 40 -4.018 -16.821 4.033 329 HA ALA 40 HA ALA 40 -6.467 -18.263 3.812 330 HB1 ALA 40 1HB ALA 40 -6.255 -17.907 1.370 331 HB2 ALA 40 2HB ALA 40 -5.917 -16.411 2.267 332 HB3 ALA 40 3HB ALA 40 -4.580 -17.368 1.585 333 H GLN 41 H GLN 41 -3.014 -19.076 3.014 334 HA GLN 41 HA GLN 41 -3.962 -21.760 2.222 335 HB2 GLN 41 1HB GLN 41 -1.191 -20.775 2.989 336 HB3 GLN 41 2HB GLN 41 -1.562 -22.347 2.275 337 HG2 GLN 41 1HG GLN 41 -2.411 -21.197 0.250 338 HG3 GLN 41 2HG GLN 41 -1.997 -19.641 0.975 339 HE21 GLN 41 1HE2 GLN 41 1.439 -19.863 0.387 340 HE22 GLN 41 2HE2 GLN 41 0.148 -19.038 1.229 341 H GLU 42 H GLU 42 -1.927 -20.630 5.017 342 HA GLU 42 HA GLU 42 -1.771 -23.181 6.157 343 HB2 GLU 42 1HB GLU 42 -0.377 -21.077 6.505 344 HB3 GLU 42 2HB GLU 42 -1.560 -20.600 7.726 345 HG2 GLU 42 1HG GLU 42 -1.021 -22.529 9.077 346 HG3 GLU 42 2HG GLU 42 -0.053 -23.235 7.771 347 H GLU 43 H GLU 43 -4.111 -20.615 6.900 348 HA GLU 43 HA GLU 43 -5.378 -22.416 8.881 349 HB2 GLU 43 1HB GLU 43 -6.044 -19.575 8.059 350 HB3 GLU 43 2HB GLU 43 -6.815 -20.464 9.368 351 HG2 GLU 43 1HG GLU 43 -4.701 -20.488 10.618 352 HG3 GLU 43 2HG GLU 43 -3.870 -19.688 9.271 353 H HIS 44 H HIS 44 -6.021 -20.817 5.705 354 HA HIS 44 HA HIS 44 -8.783 -21.875 5.914 355 HB2 HIS 44 1HB HIS 44 -7.727 -19.816 3.991 356 HB3 HIS 44 2HB HIS 44 -9.376 -20.391 4.056 357 HD1 HIS 44 HD1 HIS 44 -6.877 -18.748 6.493 358 HD2 HIS 44 HD2 HIS 44 -10.947 -18.879 5.596 359 HE1 HIS 44 HE1 HIS 44 -8.021 -17.107 8.037 360 H ARG 45 H ARG 45 -5.939 -22.696 4.281 361 HA ARG 45 HA ARG 45 -5.477 -24.274 2.690 362 HB2 ARG 45 1HB ARG 45 -6.460 -26.438 3.139 363 HB3 ARG 45 2HB ARG 45 -6.148 -25.585 4.653 364 HG2 ARG 45 1HG ARG 45 -8.485 -25.118 4.979 365 HG3 ARG 45 2HG ARG 45 -8.878 -25.617 3.332 366 HD2 ARG 45 1HD ARG 45 -8.045 -27.927 3.998 367 HD3 ARG 45 2HD ARG 45 -8.161 -27.329 5.679 368 HE ARG 45 HE ARG 45 -10.527 -26.669 4.127 369 HH11 ARG 45 1HH1 ARG 45 -9.080 -29.372 5.893 370 HH12 ARG 45 2HH1 ARG 45 -10.624 -30.144 6.134 371 HH21 ARG 45 1HH2 ARG 45 -12.387 -27.659 4.440 372 HH22 ARG 45 2HH2 ARG 45 -12.502 -29.171 5.331 373 H THR 46 H THR 46 -7.246 -22.308 1.521 374 HA THR 46 HA THR 46 -9.285 -23.591 -0.038 375 HB THR 46 HB THR 46 -9.063 -21.507 -1.455 376 HG1 THR 46 HG1 THR 46 -7.605 -19.912 -0.408 377 HG21 THR 46 1HG2 THR 46 -9.070 -20.918 1.526 378 HG22 THR 46 2HG2 THR 46 -10.450 -21.630 0.656 379 HG23 THR 46 3HG2 THR 46 -9.876 -20.008 0.233 380 H VAL 47 H VAL 47 -9.151 -23.550 -2.532 381 HA VAL 47 HA VAL 47 -7.149 -25.450 -3.262 382 HB VAL 47 HB VAL 47 -7.972 -25.252 -5.559 383 HG11 VAL 47 1HG1 VAL 47 -9.329 -26.500 -3.886 384 HG12 VAL 47 2HG1 VAL 47 -10.265 -25.028 -3.560 385 HG13 VAL 47 3HG1 VAL 47 -10.332 -25.785 -5.165 386 HG21 VAL 47 1HG2 VAL 47 -9.741 -23.571 -6.117 387 HG22 VAL 47 2HG2 VAL 47 -9.433 -22.786 -4.556 388 HG23 VAL 47 3HG2 VAL 47 -8.159 -22.835 -5.788 389 H GLU 48 H GLU 48 -6.785 -22.128 -2.880 390 HA GLU 48 HA GLU 48 -4.879 -21.593 -4.972 391 HB2 GLU 48 1HB GLU 48 -6.216 -20.183 -2.916 392 HB3 GLU 48 2HB GLU 48 -4.498 -20.062 -2.527 393 HG2 GLU 48 1HG GLU 48 -4.786 -18.203 -3.847 394 HG3 GLU 48 2HG GLU 48 -4.242 -19.385 -5.049 395 H VAL 49 H VAL 49 -4.711 -23.330 -1.932 396 HA VAL 49 HA VAL 49 -2.107 -22.760 -1.091 397 HB VAL 49 HB VAL 49 -3.770 -24.107 0.195 398 HG11 VAL 49 1HG1 VAL 49 -4.079 -26.477 -0.179 399 HG12 VAL 49 2HG1 VAL 49 -4.470 -25.626 -1.683 400 HG13 VAL 49 3HG1 VAL 49 -2.915 -26.476 -1.525 401 HG21 VAL 49 1HG2 VAL 49 -1.121 -25.570 -0.100 402 HG22 VAL 49 2HG2 VAL 49 -1.339 -24.054 0.799 403 HG23 VAL 49 3HG2 VAL 49 -2.179 -25.525 1.325 404 H GLU 50 H GLU 50 -0.125 -23.202 -1.621 405 HA GLU 50 HA GLU 50 1.702 -23.778 -2.847 406 HB2 GLU 50 1HB GLU 50 0.100 -26.092 -3.979 407 HB3 GLU 50 2HB GLU 50 1.831 -25.839 -4.146 408 HG2 GLU 50 1HG GLU 50 2.080 -26.021 -1.685 409 HG3 GLU 50 2HG GLU 50 0.342 -26.349 -1.559 410 H LYS 51 H LYS 51 -1.264 -24.035 -4.804 411 HA LYS 51 HA LYS 51 -0.054 -23.414 -7.336 412 HB2 LYS 51 1HB LYS 51 -2.847 -23.384 -6.214 413 HB3 LYS 51 2HB LYS 51 -2.540 -22.705 -7.816 414 HG2 LYS 51 1HG LYS 51 -2.145 -24.730 -8.784 415 HG3 LYS 51 2HG LYS 51 -1.375 -25.406 -7.339 416 HD2 LYS 51 1HD LYS 51 -4.343 -24.865 -7.348 417 HD3 LYS 51 2HD LYS 51 -3.696 -26.338 -8.108 418 HE2 LYS 51 1HE LYS 51 -2.623 -27.014 -6.038 419 HE3 LYS 51 2HE LYS 51 -3.046 -25.472 -5.289 420 HZ1 LYS 51 1HZ LYS 51 -5.026 -27.467 -6.136 421 HZ2 LYS 51 2HZ LYS 51 -5.326 -26.037 -5.354 422 HZ3 LYS 51 3HZ LYS 51 -4.498 -27.240 -4.587 423 H VAL 52 H VAL 52 -0.775 -21.424 -4.629 424 HA VAL 52 HA VAL 52 -1.185 -18.892 -5.796 425 HB VAL 52 HB VAL 52 0.371 -18.095 -3.805 426 HG11 VAL 52 1HG1 VAL 52 -1.438 -18.428 -2.156 427 HG12 VAL 52 2HG1 VAL 52 -2.057 -17.898 -3.738 428 HG13 VAL 52 3HG1 VAL 52 -2.205 -19.592 -3.245 429 HG21 VAL 52 1HG2 VAL 52 1.411 -20.412 -3.530 430 HG22 VAL 52 2HG2 VAL 52 0.798 -19.664 -2.049 431 HG23 VAL 52 3HG2 VAL 52 -0.142 -20.940 -2.843 432 H HIS 53 H HIS 53 1.718 -20.905 -5.813 433 HA HIS 53 HA HIS 53 3.885 -20.498 -6.527 434 HB2 HIS 53 1HB HIS 53 2.404 -19.955 -8.620 435 HB3 HIS 53 2HB HIS 53 2.830 -18.275 -8.290 436 HD1 HIS 53 HD1 HIS 53 3.844 -20.722 -10.522 437 HD2 HIS 53 HD2 HIS 53 5.962 -18.430 -7.764 438 HE1 HIS 53 HE1 HIS 53 6.255 -20.679 -11.295 439 H LEU 54 H LEU 54 3.439 -19.582 -4.184 440 HA LEU 54 HA LEU 54 3.021 -17.135 -3.319 441 HB2 LEU 54 1HB LEU 54 3.614 -19.097 -1.962 442 HB3 LEU 54 2HB LEU 54 5.314 -18.847 -2.338 443 HG LEU 54 HG LEU 54 5.265 -16.681 -1.131 444 HD11 LEU 54 1HD1 LEU 54 3.315 -16.211 0.376 445 HD12 LEU 54 2HD1 LEU 54 2.397 -17.477 -0.473 446 HD13 LEU 54 3HD1 LEU 54 2.938 -16.021 -1.346 447 HD21 LEU 54 1HD2 LEU 54 5.932 -18.760 0.003 448 HD22 LEU 54 2HD2 LEU 54 4.239 -19.061 0.467 449 HD23 LEU 54 3HD2 LEU 54 5.108 -17.654 1.123 450 H GLU 55 H GLU 55 6.440 -17.838 -4.372 451 HA GLU 55 HA GLU 55 7.323 -15.230 -3.614 452 HB2 GLU 55 1HB GLU 55 8.862 -17.082 -4.050 453 HB3 GLU 55 2HB GLU 55 8.400 -17.110 -5.751 454 HG2 GLU 55 1HG GLU 55 9.591 -14.613 -4.488 455 HG3 GLU 55 2HG GLU 55 10.623 -15.936 -5.056 456 H LYS 56 H LYS 56 6.179 -16.467 -6.784 457 HA LYS 56 HA LYS 56 6.562 -13.969 -8.144 458 HB2 LYS 56 1HB LYS 56 6.348 -16.266 -9.159 459 HB3 LYS 56 2HB LYS 56 4.619 -16.217 -8.815 460 HG2 LYS 56 1HG LYS 56 5.829 -13.984 -10.425 461 HG3 LYS 56 2HG LYS 56 5.620 -15.572 -11.184 462 HD2 LYS 56 1HD LYS 56 3.202 -15.527 -10.501 463 HD3 LYS 56 2HD LYS 56 3.441 -13.859 -9.943 464 HE2 LYS 56 1HE LYS 56 4.221 -13.245 -12.230 465 HE3 LYS 56 2HE LYS 56 3.833 -14.896 -12.771 466 HZ1 LYS 56 1HZ LYS 56 1.990 -13.484 -13.242 467 HZ2 LYS 56 2HZ LYS 56 1.968 -12.852 -11.718 468 HZ3 LYS 56 3HZ LYS 56 1.527 -14.430 -11.970 469 H LYS 57 H LYS 57 3.806 -15.446 -6.416 470 HA LYS 57 HA LYS 57 1.894 -13.424 -7.114 471 HB2 LYS 57 1HB LYS 57 1.213 -15.530 -6.159 472 HB3 LYS 57 2HB LYS 57 2.140 -15.242 -4.690 473 HG2 LYS 57 1HG LYS 57 -0.245 -14.933 -4.319 474 HG3 LYS 57 2HG LYS 57 0.628 -13.415 -4.072 475 HD2 LYS 57 1HD LYS 57 -0.198 -12.472 -6.073 476 HD3 LYS 57 2HD LYS 57 -0.625 -14.063 -6.740 477 HE2 LYS 57 1HE LYS 57 -2.648 -12.981 -6.096 478 HE3 LYS 57 2HE LYS 57 -2.340 -14.317 -4.985 479 HZ1 LYS 57 1HZ LYS 57 -2.290 -11.442 -4.469 480 HZ2 LYS 57 2HZ LYS 57 -1.330 -12.408 -3.529 481 HZ3 LYS 57 3HZ LYS 57 -2.971 -12.652 -3.585 482 H LEU 58 H LEU 58 4.098 -13.768 -4.315 483 HA LEU 58 HA LEU 58 3.344 -11.377 -2.999 484 HB2 LEU 58 1HB LEU 58 4.721 -13.198 -2.066 485 HB3 LEU 58 2HB LEU 58 6.043 -12.769 -3.134 486 HG LEU 58 HG LEU 58 5.002 -10.780 -1.127 487 HD11 LEU 58 1HD1 LEU 58 6.625 -11.690 0.501 488 HD12 LEU 58 2HD1 LEU 58 7.010 -13.015 -0.623 489 HD13 LEU 58 3HD1 LEU 58 5.384 -12.889 0.086 490 HD21 LEU 58 1HD2 LEU 58 6.643 -9.919 -2.721 491 HD22 LEU 58 2HD2 LEU 58 7.738 -11.278 -2.380 492 HD23 LEU 58 3HD2 LEU 58 7.397 -10.062 -1.126 493 H ARG 59 H ARG 59 5.872 -12.052 -5.431 494 HA ARG 59 HA ARG 59 6.988 -9.488 -5.600 495 HB2 ARG 59 1HB ARG 59 7.701 -11.671 -6.722 496 HB3 ARG 59 2HB ARG 59 6.477 -11.341 -7.946 497 HG2 ARG 59 1HG ARG 59 7.734 -9.063 -8.204 498 HG3 ARG 59 2HG ARG 59 9.063 -9.935 -7.410 499 HD2 ARG 59 1HD ARG 59 7.583 -10.745 -9.939 500 HD3 ARG 59 2HD ARG 59 9.244 -10.131 -9.844 501 HE ARG 59 HE ARG 59 9.096 -12.452 -8.199 502 HH11 ARG 59 1HH1 ARG 59 8.851 -11.656 -11.641 503 HH12 ARG 59 2HH1 ARG 59 9.408 -13.233 -12.133 504 HH21 ARG 59 1HH2 ARG 59 9.745 -14.441 -8.900 505 HH22 ARG 59 2HH2 ARG 59 9.912 -14.773 -10.612 506 H ASP 60 H ASP 60 4.141 -10.790 -7.365 507 HA ASP 60 HA ASP 60 3.783 -8.338 -8.866 508 HB2 ASP 60 1HB ASP 60 2.055 -10.781 -8.410 509 HB3 ASP 60 2HB ASP 60 1.525 -9.399 -9.384 510 H GLU 61 H GLU 61 2.103 -9.711 -5.977 511 HA GLU 61 HA GLU 61 0.064 -7.701 -5.970 512 HB2 GLU 61 1HB GLU 61 -0.567 -8.563 -3.834 513 HB3 GLU 61 2HB GLU 61 -0.010 -9.926 -4.800 514 HG2 GLU 61 1HG GLU 61 2.242 -9.623 -3.614 515 HG3 GLU 61 2HG GLU 61 1.415 -8.568 -2.489 516 H ILE 62 H ILE 62 3.200 -7.943 -4.177 517 HA ILE 62 HA ILE 62 2.828 -5.324 -3.090 518 HB ILE 62 HB ILE 62 4.923 -5.442 -2.124 519 HG12 ILE 62 1HG1 ILE 62 5.851 -7.639 -3.952 520 HG13 ILE 62 2HG1 ILE 62 6.235 -5.934 -4.160 521 HG21 ILE 62 1HG2 ILE 62 4.869 -7.481 -0.893 522 HG22 ILE 62 2HG2 ILE 62 3.193 -7.120 -1.350 523 HG23 ILE 62 3HG2 ILE 62 4.109 -8.357 -2.227 524 HD11 ILE 62 1HD1 ILE 62 6.947 -7.641 -1.757 525 HD12 ILE 62 2HD1 ILE 62 8.061 -7.037 -3.005 526 HD13 ILE 62 3HD1 ILE 62 7.251 -5.899 -1.897 527 H ASN 63 H ASN 63 3.961 -6.452 -6.229 528 HA ASN 63 HA ASN 63 5.373 -3.997 -6.846 529 HB2 ASN 63 1HB ASN 63 4.541 -6.349 -8.327 530 HB3 ASN 63 2HB ASN 63 4.164 -4.890 -9.228 531 HD21 ASN 63 1HD2 ASN 63 7.860 -6.241 -9.264 532 HD22 ASN 63 2HD2 ASN 63 6.449 -7.161 -8.783 533 H LEU 64 H LEU 64 1.967 -5.059 -7.068 534 HA LEU 64 HA LEU 64 1.098 -2.586 -8.345 535 HB2 LEU 64 1HB LEU 64 -0.369 -4.745 -6.805 536 HB3 LEU 64 2HB LEU 64 -1.180 -3.365 -7.546 537 HG LEU 64 HG LEU 64 0.499 -5.358 -9.111 538 HD11 LEU 64 1HD1 LEU 64 -1.398 -6.513 -8.073 539 HD12 LEU 64 2HD1 LEU 64 -1.643 -6.348 -9.821 540 HD13 LEU 64 3HD1 LEU 64 -2.516 -5.274 -8.705 541 HD21 LEU 64 1HD2 LEU 64 -0.770 -4.429 -11.049 542 HD22 LEU 64 2HD2 LEU 64 0.232 -3.205 -10.251 543 HD23 LEU 64 3HD2 LEU 64 -1.524 -3.237 -9.963 544 H ALA 65 H ALA 65 1.096 -3.815 -4.928 545 HA ALA 65 HA ALA 65 -0.057 -1.376 -3.918 546 HB1 ALA 65 1HB ALA 65 1.675 -3.498 -2.685 547 HB2 ALA 65 2HB ALA 65 1.110 -2.083 -1.762 548 HB3 ALA 65 3HB ALA 65 -0.061 -3.216 -2.469 549 H LYS 66 H LYS 66 3.313 -2.305 -4.655 550 HA LYS 66 HA LYS 66 4.597 0.101 -3.741 551 HB2 LYS 66 1HB LYS 66 5.887 -1.888 -4.231 552 HB3 LYS 66 2HB LYS 66 5.284 -1.932 -5.875 553 HG2 LYS 66 1HG LYS 66 6.639 0.562 -5.614 554 HG3 LYS 66 2HG LYS 66 7.650 -0.662 -4.844 555 HD2 LYS 66 1HD LYS 66 8.299 -0.627 -7.151 556 HD3 LYS 66 2HD LYS 66 7.332 -2.096 -6.930 557 HE2 LYS 66 1HE LYS 66 5.327 -0.800 -7.790 558 HE3 LYS 66 2HE LYS 66 6.420 0.535 -8.180 559 HZ1 LYS 66 1HZ LYS 66 6.619 -2.220 -9.267 560 HZ2 LYS 66 2HZ LYS 66 7.578 -0.943 -9.691 561 HZ3 LYS 66 3HZ LYS 66 5.972 -0.928 -10.069 562 H GLN 67 H GLN 67 2.812 -0.733 -6.711 563 HA GLN 67 HA GLN 67 3.686 1.551 -8.207 564 HB2 GLN 67 1HB GLN 67 2.473 -0.419 -9.193 565 HB3 GLN 67 2HB GLN 67 1.008 0.127 -8.382 566 HG2 GLN 67 1HG GLN 67 1.092 2.238 -9.638 567 HG3 GLN 67 2HG GLN 67 2.525 1.645 -10.498 568 HE21 GLN 67 1HE2 GLN 67 -1.192 0.134 -11.336 569 HE22 GLN 67 2HE2 GLN 67 -0.908 1.027 -9.848 570 H GLU 68 H GLU 68 0.635 0.988 -6.143 571 HA GLU 68 HA GLU 68 0.179 3.841 -6.319 572 HB2 GLU 68 1HB GLU 68 -0.959 1.629 -4.710 573 HB3 GLU 68 2HB GLU 68 -1.306 3.311 -4.256 574 HG2 GLU 68 1HG GLU 68 -3.047 2.566 -5.813 575 HG3 GLU 68 2HG GLU 68 -2.036 3.781 -6.593 576 H ALA 69 H ALA 69 2.244 1.977 -4.101 577 HA ALA 69 HA ALA 69 2.616 4.102 -2.201 578 HB1 ALA 69 1HB ALA 69 3.404 1.726 -1.930 579 HB2 ALA 69 2HB ALA 69 4.713 2.096 -3.078 580 HB3 ALA 69 3HB ALA 69 4.617 2.962 -1.532 581 H GLN 70 H GLN 70 4.043 3.516 -5.422 582 HA GLN 70 HA GLN 70 6.040 5.587 -5.257 583 HB2 GLN 70 1HB GLN 70 5.993 3.801 -7.006 584 HB3 GLN 70 2HB GLN 70 4.566 4.566 -7.714 585 HG2 GLN 70 1HG GLN 70 6.773 6.461 -7.360 586 HG3 GLN 70 2HG GLN 70 7.219 5.081 -8.371 587 HE21 GLN 70 1HE2 GLN 70 4.731 7.967 -9.794 588 HE22 GLN 70 2HE2 GLN 70 5.346 8.001 -8.159 589 H ARG 71 H ARG 71 2.579 5.500 -6.158 590 HA ARG 71 HA ARG 71 2.498 8.252 -7.001 591 HB2 ARG 71 1HB ARG 71 0.229 6.686 -5.730 592 HB3 ARG 71 2HB ARG 71 0.121 8.130 -6.728 593 HG2 ARG 71 1HG ARG 71 1.167 6.720 -8.613 594 HG3 ARG 71 2HG ARG 71 0.794 5.322 -7.586 595 HD2 ARG 71 1HD ARG 71 -1.565 6.530 -7.416 596 HD3 ARG 71 2HD ARG 71 -1.043 7.252 -8.943 597 HE ARG 71 HE ARG 71 -0.872 4.319 -8.808 598 HH11 ARG 71 1HH1 ARG 71 -2.914 7.081 -9.724 599 HH12 ARG 71 2HH1 ARG 71 -3.864 6.101 -10.811 600 HH21 ARG 71 1HH2 ARG 71 -2.175 3.158 -10.110 601 HH22 ARG 71 2HH2 ARG 71 -3.460 3.921 -11.027 602 H LEU 72 H LEU 72 2.236 6.641 -3.792 603 HA LEU 72 HA LEU 72 1.537 9.031 -2.374 604 HB2 LEU 72 1HB LEU 72 2.711 6.406 -1.552 605 HB3 LEU 72 2HB LEU 72 2.445 7.729 -0.399 606 HG LEU 72 HG LEU 72 0.201 7.023 -2.261 607 HD11 LEU 72 1HD1 LEU 72 0.786 4.829 -1.602 608 HD12 LEU 72 2HD1 LEU 72 -0.595 5.315 -0.621 609 HD13 LEU 72 3HD1 LEU 72 1.011 5.323 0.080 610 HD21 LEU 72 1HD2 LEU 72 0.287 7.804 0.674 611 HD22 LEU 72 2HD2 LEU 72 -1.170 7.642 -0.326 612 HD23 LEU 72 3HD2 LEU 72 0.013 8.915 -0.683 613 H LYS 73 H LYS 73 4.650 7.557 -3.330 614 HA LYS 73 HA LYS 73 6.305 9.496 -1.967 615 HB2 LYS 73 1HB LYS 73 6.801 8.007 -4.574 616 HB3 LYS 73 2HB LYS 73 8.001 8.998 -3.752 617 HG2 LYS 73 1HG LYS 73 7.939 7.532 -1.831 618 HG3 LYS 73 2HG LYS 73 6.690 6.541 -2.605 619 HD2 LYS 73 1HD LYS 73 8.257 6.100 -4.491 620 HD3 LYS 73 2HD LYS 73 9.520 6.975 -3.602 621 HE2 LYS 73 1HE LYS 73 8.035 4.496 -2.631 622 HE3 LYS 73 2HE LYS 73 9.687 4.521 -3.283 623 HZ1 LYS 73 1HZ LYS 73 10.328 5.950 -1.435 624 HZ2 LYS 73 2HZ LYS 73 9.683 4.541 -0.864 625 HZ3 LYS 73 3HZ LYS 73 8.794 5.930 -0.832 626 H GLU 74 H GLU 74 4.896 9.419 -5.270 627 HA GLU 74 HA GLU 74 6.058 11.871 -6.126 628 HB2 GLU 74 1HB GLU 74 4.937 10.104 -7.531 629 HB3 GLU 74 2HB GLU 74 3.378 10.713 -6.968 630 HG2 GLU 74 1HG GLU 74 3.887 12.917 -7.954 631 HG3 GLU 74 2HG GLU 74 5.450 12.294 -8.515 632 H LEU 75 H LEU 75 3.003 11.184 -4.430 633 HA LEU 75 HA LEU 75 1.970 13.856 -4.460 634 HB2 LEU 75 1HB LEU 75 1.516 11.302 -3.059 635 HB3 LEU 75 2HB LEU 75 1.124 12.707 -2.104 636 HG LEU 75 HG LEU 75 -0.580 13.405 -3.598 637 HD11 LEU 75 1HD1 LEU 75 -1.202 12.126 -5.629 638 HD12 LEU 75 2HD1 LEU 75 0.261 11.139 -5.452 639 HD13 LEU 75 3HD1 LEU 75 0.392 12.878 -5.788 640 HD21 LEU 75 1HD2 LEU 75 -2.069 11.512 -3.324 641 HD22 LEU 75 2HD2 LEU 75 -0.968 11.558 -1.945 642 HD23 LEU 75 3HD2 LEU 75 -0.707 10.382 -3.254 643 H ARG 76 H ARG 76 4.012 12.072 -2.113 644 HA ARG 76 HA ARG 76 4.191 14.197 -0.194 645 HB2 ARG 76 1HB ARG 76 4.834 11.937 0.375 646 HB3 ARG 76 2HB ARG 76 6.041 11.899 -0.909 647 HG2 ARG 76 1HG ARG 76 6.583 14.099 0.880 648 HG3 ARG 76 2HG ARG 76 6.449 12.589 1.779 649 HD2 ARG 76 1HD ARG 76 8.013 11.538 0.146 650 HD3 ARG 76 2HD ARG 76 8.193 13.120 -0.638 651 HE ARG 76 HE ARG 76 8.732 13.353 2.157 652 HH11 ARG 76 1HH1 ARG 76 10.201 12.096 -0.812 653 HH12 ARG 76 2HH1 ARG 76 11.823 12.278 -0.176 654 HH21 ARG 76 1HH2 ARG 76 10.823 13.551 2.881 655 HH22 ARG 76 2HH2 ARG 76 12.164 13.095 1.868 656 H GLU 77 H GLU 77 6.060 13.422 -3.114 657 HA GLU 77 HA GLU 77 7.890 15.696 -2.715 658 HB2 GLU 77 1HB GLU 77 7.535 13.516 -4.776 659 HB3 GLU 77 2HB GLU 77 8.523 14.930 -5.147 660 HG2 GLU 77 1HG GLU 77 10.259 13.992 -4.126 661 HG3 GLU 77 2HG GLU 77 9.392 14.098 -2.592 662 H GLY 78 H GLY 78 4.785 15.793 -3.193 663 HA2 GLY 78 1HA GLY 78 4.595 17.398 -5.623 664 HA3 GLY 78 2HA GLY 78 3.303 16.969 -4.500 665 H THR 79 H THR 79 2.354 18.740 -3.762 666 HA THR 79 HA THR 79 4.052 21.005 -2.812 667 HB THR 79 HB THR 79 2.447 22.597 -3.914 668 HG1 THR 79 HG1 THR 79 0.702 21.035 -4.097 669 HG21 THR 79 1HG2 THR 79 4.566 21.908 -5.089 670 HG22 THR 79 2HG2 THR 79 3.249 22.402 -6.182 671 HG23 THR 79 3HG2 THR 79 3.616 20.678 -5.959 672 H GLU 80 H GLU 80 2.779 22.608 -1.529 673 HA GLU 80 HA GLU 80 0.892 21.449 0.324 674 HB2 GLU 80 1HB GLU 80 2.155 23.594 0.767 675 HB3 GLU 80 2HB GLU 80 1.259 24.353 -0.546 676 HG2 GLU 80 1HG GLU 80 -0.848 23.965 0.668 677 HG3 GLU 80 2HG GLU 80 0.074 23.255 1.989 678 H ASN 81 H ASN 81 -1.238 21.089 -0.017 679 HA ASN 81 HA ASN 81 -3.226 20.873 -1.016 680 HB2 ASN 81 1HB ASN 81 -4.438 22.785 -1.541 681 HB3 ASN 81 2HB ASN 81 -3.201 23.355 -0.420 682 HD21 ASN 81 1HD2 ASN 81 -2.123 25.826 -2.589 683 HD22 ASN 81 2HD2 ASN 81 -2.301 25.210 -0.968 684 H GLU 82 H GLU 82 -4.596 21.234 -3.076 685 HA GLU 82 HA GLU 82 -3.198 19.749 -5.128 686 HB2 GLU 82 1HB GLU 82 -6.069 20.706 -4.931 687 HB3 GLU 82 2HB GLU 82 -5.426 19.577 -6.135 688 HG2 GLU 82 1HG GLU 82 -4.616 18.191 -4.115 689 HG3 GLU 82 2HG GLU 82 -5.736 19.172 -3.159 690 H ARG 83 H ARG 83 -1.784 21.854 -5.272 691 HA ARG 83 HA ARG 83 -2.684 23.963 -7.024 692 HB2 ARG 83 1HB ARG 83 0.127 22.810 -6.772 693 HB3 ARG 83 2HB ARG 83 -0.303 24.402 -7.414 694 HG2 ARG 83 1HG ARG 83 -1.250 24.950 -5.142 695 HG3 ARG 83 2HG ARG 83 -0.568 23.420 -4.585 696 HD2 ARG 83 1HD ARG 83 1.062 24.946 -3.983 697 HD3 ARG 83 2HD ARG 83 1.674 24.308 -5.523 698 HE ARG 83 HE ARG 83 0.054 26.599 -6.027 699 HH11 ARG 83 1HH1 ARG 83 3.219 25.831 -4.659 700 HH12 ARG 83 2HH1 ARG 83 3.863 27.409 -5.022 701 HH21 ARG 83 1HH2 ARG 83 0.948 28.589 -6.463 702 HH22 ARG 83 2HH2 ARG 83 2.603 28.932 -6.042 703 H SER 84 H SER 84 -1.386 24.164 -9.274 704 HA SER 84 HA SER 84 -2.665 22.520 -11.083 705 HB2 SER 84 1HB SER 84 0.045 23.660 -11.705 706 HB3 SER 84 2HB SER 84 -1.429 23.643 -12.703 707 HG SER 84 HG SER 84 -2.203 25.329 -11.598 708 H ARG 85 H ARG 85 0.336 21.666 -9.430 709 HA ARG 85 HA ARG 85 0.848 19.476 -11.377 710 HB2 ARG 85 1HB ARG 85 2.606 21.111 -10.230 711 HB3 ARG 85 2HB ARG 85 2.481 19.958 -8.896 712 HG2 ARG 85 1HG ARG 85 2.972 18.147 -10.720 713 HG3 ARG 85 2HG ARG 85 3.514 19.514 -11.708 714 HD2 ARG 85 1HD ARG 85 5.077 20.156 -9.849 715 HD3 ARG 85 2HD ARG 85 4.565 18.698 -8.972 716 HE ARG 85 HE ARG 85 5.458 18.066 -11.640 717 HH11 ARG 85 1HH1 ARG 85 6.682 18.750 -8.393 718 HH12 ARG 85 2HH1 ARG 85 8.176 17.906 -8.681 719 HH21 ARG 85 1HH2 ARG 85 7.394 17.019 -11.932 720 HH22 ARG 85 2HH2 ARG 85 8.568 16.944 -10.648 721 H GLN 86 H GLN 86 -1.113 19.877 -8.739 722 HA GLN 86 HA GLN 86 -0.918 17.004 -7.964 723 HB2 GLN 86 1HB GLN 86 -0.745 19.447 -6.168 724 HB3 GLN 86 2HB GLN 86 -1.293 17.893 -5.546 725 HG2 GLN 86 1HG GLN 86 1.367 18.199 -6.933 726 HG3 GLN 86 2HG GLN 86 1.142 18.451 -5.201 727 HE21 GLN 86 1HE2 GLN 86 1.393 14.705 -6.677 728 HE22 GLN 86 2HE2 GLN 86 1.506 16.112 -7.709 729 H LYS 87 H LYS 87 -2.815 18.542 -9.661 730 HA LYS 87 HA LYS 87 -5.186 19.177 -8.162 731 HB2 LYS 87 1HB LYS 87 -4.928 18.252 -11.036 732 HB3 LYS 87 2HB LYS 87 -6.347 19.020 -10.317 733 HG2 LYS 87 1HG LYS 87 -4.842 21.027 -9.835 734 HG3 LYS 87 2HG LYS 87 -3.670 20.267 -10.932 735 HD2 LYS 87 1HD LYS 87 -6.560 20.948 -11.618 736 HD3 LYS 87 2HD LYS 87 -5.149 21.912 -12.094 737 HE2 LYS 87 1HE LYS 87 -4.278 20.009 -13.420 738 HE3 LYS 87 2HE LYS 87 -5.653 19.008 -12.907 739 HZ1 LYS 87 1HZ LYS 87 -5.871 21.482 -14.510 740 HZ2 LYS 87 2HZ LYS 87 -7.135 20.545 -14.014 741 HZ3 LYS 87 3HZ LYS 87 -6.033 19.942 -15.082 742 H TYR 88 H TYR 88 -3.771 16.210 -8.731 743 HA TYR 88 HA TYR 88 -6.341 14.707 -8.543 744 HB2 TYR 88 1HB TYR 88 -5.035 12.880 -9.650 745 HB3 TYR 88 2HB TYR 88 -5.192 14.320 -10.661 746 HD1 TYR 88 HD1 TYR 88 -2.826 12.138 -8.853 747 HD2 TYR 88 HD2 TYR 88 -3.214 15.838 -11.028 748 HE1 TYR 88 HE1 TYR 88 -0.340 12.257 -9.114 749 HE2 TYR 88 HE2 TYR 88 -0.726 15.953 -11.261 750 HH TYR 88 HH TYR 88 1.455 13.392 -10.133 751 H ALA 89 H ALA 89 -4.230 15.921 -6.489 752 HA ALA 89 HA ALA 89 -2.758 13.689 -5.525 753 HB1 ALA 89 1HB ALA 89 -2.067 15.921 -5.024 754 HB2 ALA 89 2HB ALA 89 -3.594 16.265 -4.179 755 HB3 ALA 89 3HB ALA 89 -2.444 15.097 -3.505 756 H GLU 90 H GLU 90 -5.771 15.156 -4.110 757 HA GLU 90 HA GLU 90 -5.765 12.965 -2.155 758 HB2 GLU 90 1HB GLU 90 -7.849 15.099 -2.675 759 HB3 GLU 90 2HB GLU 90 -7.759 14.026 -1.267 760 HG2 GLU 90 1HG GLU 90 -5.746 16.192 -2.066 761 HG3 GLU 90 2HG GLU 90 -6.817 16.212 -0.660 762 H GLU 91 H GLU 91 -7.035 13.578 -5.311 763 HA GLU 91 HA GLU 91 -8.997 11.463 -5.392 764 HB2 GLU 91 1HB GLU 91 -8.619 13.230 -7.187 765 HB3 GLU 91 2HB GLU 91 -7.117 12.404 -7.592 766 HG2 GLU 91 1HG GLU 91 -8.655 10.306 -7.892 767 HG3 GLU 91 2HG GLU 91 -9.940 11.511 -8.051 768 H GLU 92 H GLU 92 -5.429 11.691 -5.653 769 HA GLU 92 HA GLU 92 -5.085 8.950 -6.410 770 HB2 GLU 92 1HB GLU 92 -3.439 11.024 -6.465 771 HB3 GLU 92 2HB GLU 92 -2.983 10.402 -4.884 772 HG2 GLU 92 1HG GLU 92 -1.489 9.454 -6.356 773 HG3 GLU 92 2HG GLU 92 -2.657 8.166 -6.025 774 H LEU 93 H LEU 93 -5.601 10.600 -3.353 775 HA LEU 93 HA LEU 93 -4.692 8.421 -1.678 776 HB2 LEU 93 1HB LEU 93 -5.115 10.755 -0.853 777 HB3 LEU 93 2HB LEU 93 -6.836 10.489 -1.098 778 HG LEU 93 HG LEU 93 -6.782 8.638 0.562 779 HD11 LEU 93 1HD1 LEU 93 -3.905 9.561 0.950 780 HD12 LEU 93 2HD1 LEU 93 -4.474 7.937 0.513 781 HD13 LEU 93 3HD1 LEU 93 -4.803 8.581 2.132 782 HD21 LEU 93 1HD2 LEU 93 -7.526 10.841 1.204 783 HD22 LEU 93 2HD2 LEU 93 -5.860 11.394 1.450 784 HD23 LEU 93 3HD2 LEU 93 -6.558 10.161 2.528 785 H GLU 94 H GLU 94 -7.767 9.298 -3.297 786 HA GLU 94 HA GLU 94 -9.247 7.065 -2.209 787 HB2 GLU 94 1HB GLU 94 -9.624 8.643 -4.772 788 HB3 GLU 94 2HB GLU 94 -10.749 7.421 -4.192 789 HG2 GLU 94 1HG GLU 94 -10.011 9.712 -2.375 790 HG3 GLU 94 2HG GLU 94 -11.144 9.986 -3.706 791 H GLN 95 H GLN 95 -7.101 7.497 -5.047 792 HA GLN 95 HA GLN 95 -7.535 4.873 -6.152 793 HB2 GLN 95 1HB GLN 95 -5.606 7.059 -6.491 794 HB3 GLN 95 2HB GLN 95 -4.891 5.471 -6.704 795 HG2 GLN 95 1HG GLN 95 -5.529 6.022 -8.846 796 HG3 GLN 95 2HG GLN 95 -6.873 5.015 -8.301 797 HE21 GLN 95 1HE2 GLN 95 -7.399 9.018 -9.093 798 HE22 GLN 95 2HE2 GLN 95 -5.790 8.358 -8.830 799 H VAL 96 H VAL 96 -5.471 6.034 -3.490 800 HA VAL 96 HA VAL 96 -3.979 3.536 -3.246 801 HB VAL 96 HB VAL 96 -4.423 5.875 -1.351 802 HG11 VAL 96 1HG1 VAL 96 -2.590 3.465 -0.965 803 HG12 VAL 96 2HG1 VAL 96 -2.604 4.932 0.045 804 HG13 VAL 96 3HG1 VAL 96 -4.017 3.869 0.019 805 HG21 VAL 96 1HG2 VAL 96 -3.023 6.111 -3.512 806 HG22 VAL 96 2HG2 VAL 96 -2.253 6.580 -1.996 807 HG23 VAL 96 3HG2 VAL 96 -1.865 5.016 -2.746 808 H ARG 97 H ARG 97 -6.963 4.906 -1.892 809 HA ARG 97 HA ARG 97 -7.532 2.793 -0.041 810 HB2 ARG 97 1HB ARG 97 -9.109 4.404 0.275 811 HB3 ARG 97 2HB ARG 97 -8.976 4.979 -1.374 812 HG2 ARG 97 1HG ARG 97 -10.393 2.845 -1.983 813 HG3 ARG 97 2HG ARG 97 -10.810 2.858 -0.264 814 HD2 ARG 97 1HD ARG 97 -12.122 4.696 -0.519 815 HD3 ARG 97 2HD ARG 97 -10.981 5.466 -1.646 816 HE ARG 97 HE ARG 97 -12.162 3.185 -2.909 817 HH11 ARG 97 1HH1 ARG 97 -12.995 6.514 -1.992 818 HH12 ARG 97 2HH1 ARG 97 -14.217 6.621 -3.230 819 HH21 ARG 97 1HH2 ARG 97 -13.657 3.403 -4.431 820 HH22 ARG 97 2HH2 ARG 97 -14.588 4.878 -4.610 821 H GLU 98 H GLU 98 -7.953 3.155 -3.586 822 HA GLU 98 HA GLU 98 -9.147 0.510 -3.805 823 HB2 GLU 98 1HB GLU 98 -8.046 2.379 -5.906 824 HB3 GLU 98 2HB GLU 98 -8.803 0.821 -6.249 825 HG2 GLU 98 1HG GLU 98 -10.128 3.205 -4.899 826 HG3 GLU 98 2HG GLU 98 -10.419 2.630 -6.546 827 H ALA 99 H ALA 99 -5.793 1.692 -3.844 828 HA ALA 99 HA ALA 99 -4.485 -0.655 -4.902 829 HB1 ALA 99 1HB ALA 99 -3.462 0.804 -2.466 830 HB2 ALA 99 2HB ALA 99 -2.577 0.092 -3.831 831 HB3 ALA 99 3HB ALA 99 -3.495 1.593 -4.047 832 H LEU 100 H LEU 100 -5.611 0.368 -1.653 833 HA LEU 100 HA LEU 100 -5.038 -2.118 -0.326 834 HB2 LEU 100 1HB LEU 100 -6.506 0.389 0.308 835 HB3 LEU 100 2HB LEU 100 -7.015 -1.051 1.188 836 HG LEU 100 HG LEU 100 -4.645 -1.401 1.915 837 HD11 LEU 100 1HD1 LEU 100 -4.224 1.387 0.749 838 HD12 LEU 100 2HD1 LEU 100 -3.439 -0.112 0.204 839 HD13 LEU 100 3HD1 LEU 100 -3.086 0.529 1.818 840 HD21 LEU 100 1HD2 LEU 100 -4.751 0.309 3.647 841 HD22 LEU 100 2HD2 LEU 100 -6.373 -0.323 3.316 842 HD23 LEU 100 3HD2 LEU 100 -5.895 1.267 2.671 843 H ARG 101 H ARG 101 -8.070 -0.855 -1.826 844 HA ARG 101 HA ARG 101 -9.628 -3.132 -0.983 845 HB2 ARG 101 1HB ARG 101 -10.128 -0.723 -2.326 846 HB3 ARG 101 2HB ARG 101 -10.533 -1.971 -3.504 847 HG2 ARG 101 1HG ARG 101 -11.603 -1.889 -0.653 848 HG3 ARG 101 2HG ARG 101 -12.445 -1.201 -2.050 849 HD2 ARG 101 1HD ARG 101 -13.338 -3.193 -2.530 850 HD3 ARG 101 2HD ARG 101 -11.727 -3.902 -2.710 851 HE ARG 101 HE ARG 101 -12.313 -3.732 0.074 852 HH11 ARG 101 1HH1 ARG 101 -13.389 -5.602 -2.736 853 HH12 ARG 101 2HH1 ARG 101 -13.864 -6.968 -1.741 854 HH21 ARG 101 1HH2 ARG 101 -12.992 -5.446 1.226 855 HH22 ARG 101 2HH2 ARG 101 -13.704 -6.862 0.446 856 H LYS 102 H LYS 102 -7.572 -2.507 -3.824 857 HA LYS 102 HA LYS 102 -8.344 -4.837 -5.316 858 HB2 LYS 102 1HB LYS 102 -7.006 -3.005 -6.257 859 HB3 LYS 102 2HB LYS 102 -5.703 -3.325 -5.139 860 HG2 LYS 102 1HG LYS 102 -6.603 -5.352 -7.228 861 HG3 LYS 102 2HG LYS 102 -5.424 -4.088 -7.574 862 HD2 LYS 102 1HD LYS 102 -5.087 -6.363 -5.579 863 HD3 LYS 102 2HD LYS 102 -4.261 -6.173 -7.118 864 HE2 LYS 102 1HE LYS 102 -3.131 -4.118 -6.246 865 HE3 LYS 102 2HE LYS 102 -3.945 -4.358 -4.684 866 HZ1 LYS 102 1HZ LYS 102 -1.812 -5.341 -4.517 867 HZ2 LYS 102 2HZ LYS 102 -1.970 -6.159 -5.940 868 HZ3 LYS 102 3HZ LYS 102 -2.877 -6.605 -4.643 869 H ALA 103 H ALA 103 -5.854 -4.233 -2.799 870 HA ALA 103 HA ALA 103 -4.857 -6.907 -2.748 871 HB1 ALA 103 1HB ALA 103 -4.093 -6.276 -0.427 872 HB2 ALA 103 2HB ALA 103 -3.644 -5.084 -1.669 873 HB3 ALA 103 3HB ALA 103 -5.004 -4.769 -0.572 874 H GLU 104 H GLU 104 -7.340 -5.293 -0.730 875 HA GLU 104 HA GLU 104 -7.982 -7.538 0.854 876 HB2 GLU 104 1HB GLU 104 -8.604 -5.109 1.176 877 HB3 GLU 104 2HB GLU 104 -9.879 -5.340 -0.026 878 HG2 GLU 104 1HG GLU 104 -10.948 -6.999 1.391 879 HG3 GLU 104 2HG GLU 104 -9.608 -6.916 2.544 880 H LYS 105 H LYS 105 -9.268 -6.517 -2.323 881 HA LYS 105 HA LYS 105 -11.333 -8.526 -2.389 882 HB2 LYS 105 1HB LYS 105 -11.255 -6.414 -3.736 883 HB3 LYS 105 2HB LYS 105 -9.979 -7.138 -4.723 884 HG2 LYS 105 1HG LYS 105 -11.528 -8.937 -5.387 885 HG3 LYS 105 2HG LYS 105 -12.798 -8.207 -4.380 886 HD2 LYS 105 1HD LYS 105 -12.635 -6.133 -5.723 887 HD3 LYS 105 2HD LYS 105 -11.418 -6.918 -6.755 888 HE2 LYS 105 1HE LYS 105 -13.060 -8.675 -7.339 889 HE3 LYS 105 2HE LYS 105 -14.276 -7.870 -6.322 890 HZ1 LYS 105 1HZ LYS 105 -12.963 -6.677 -8.698 891 HZ2 LYS 105 2HZ LYS 105 -14.086 -5.925 -7.753 892 HZ3 LYS 105 3HZ LYS 105 -14.511 -7.247 -8.643 893 H GLU 106 H GLU 106 -7.933 -8.494 -3.654 894 HA GLU 106 HA GLU 106 -8.375 -11.085 -4.891 895 HB2 GLU 106 1HB GLU 106 -6.029 -11.241 -5.276 896 HB3 GLU 106 2HB GLU 106 -6.550 -9.602 -5.657 897 HG2 GLU 106 1HG GLU 106 -5.638 -8.854 -3.484 898 HG3 GLU 106 2HG GLU 106 -5.023 -10.485 -3.196 899 H LEU 107 H LEU 107 -7.277 -9.924 -1.672 900 HA LEU 107 HA LEU 107 -6.687 -12.550 -0.668 901 HB2 LEU 107 1HB LEU 107 -7.571 -10.000 0.691 902 HB3 LEU 107 2HB LEU 107 -7.152 -11.467 1.581 903 HG LEU 107 HG LEU 107 -5.253 -10.141 -0.374 904 HD11 LEU 107 1HD1 LEU 107 -5.372 -9.771 2.624 905 HD12 LEU 107 2HD1 LEU 107 -5.913 -8.576 1.433 906 HD13 LEU 107 3HD1 LEU 107 -4.214 -9.040 1.511 907 HD21 LEU 107 1HD2 LEU 107 -4.596 -12.394 0.025 908 HD22 LEU 107 2HD2 LEU 107 -4.961 -12.282 1.755 909 HD23 LEU 107 3HD2 LEU 107 -3.570 -11.412 1.079 910 H GLU 108 H GLU 108 -9.763 -10.746 -0.892 911 HA GLU 108 HA GLU 108 -11.362 -12.569 0.633 912 HB2 GLU 108 1HB GLU 108 -11.930 -10.765 -1.731 913 HB3 GLU 108 2HB GLU 108 -13.172 -11.850 -1.124 914 HG2 GLU 108 1HG GLU 108 -13.189 -10.758 1.019 915 HG3 GLU 108 2HG GLU 108 -11.796 -9.767 0.587 916 H SER 109 H SER 109 -10.461 -12.469 -2.859 917 HA SER 109 HA SER 109 -11.887 -14.860 -3.491 918 HB2 SER 109 1HB SER 109 -10.709 -14.874 -5.572 919 HB3 SER 109 2HB SER 109 -11.092 -13.195 -5.160 920 HG SER 109 HG SER 109 -8.768 -13.394 -4.167 921 H HIS 110 H HIS 110 -8.622 -14.393 -2.136 922 HA HIS 110 HA HIS 110 -7.823 -17.132 -2.747 923 HB2 HIS 110 1HB HIS 110 -6.687 -15.161 -0.718 924 HB3 HIS 110 2HB HIS 110 -5.911 -16.650 -1.268 925 HD1 HIS 110 HD1 HIS 110 -6.448 -16.245 -4.392 926 HD2 HIS 110 HD2 HIS 110 -4.910 -13.391 -1.749 927 HE1 HIS 110 HE1 HIS 110 -5.152 -14.561 -5.771 928 H SER 111 H SER 111 -9.655 -15.549 -0.250 929 HA SER 111 HA SER 111 -9.365 -17.890 1.567 930 HB2 SER 111 1HB SER 111 -10.773 -16.457 3.088 931 HB3 SER 111 2HB SER 111 -9.195 -15.763 2.659 932 HG SER 111 HG SER 111 -10.154 -14.378 1.253 933 H SER 112 H SER 112 -11.482 -16.605 -0.877 934 HA SER 112 HA SER 112 -13.825 -18.038 0.185 935 HB2 SER 112 1HB SER 112 -13.460 -16.444 -2.368 936 HB3 SER 112 2HB SER 112 -14.997 -17.088 -1.753 937 HG SER 112 HG SER 112 -13.298 -15.177 -0.498 938 H TRP 113 H TRP 113 -11.279 -18.852 -2.092 939 HA TRP 113 HA TRP 113 -13.054 -20.514 -3.675 940 HB2 TRP 113 1HB TRP 113 -10.044 -20.275 -3.669 941 HB3 TRP 113 2HB TRP 113 -10.954 -21.373 -4.712 942 HD1 TRP 113 HD1 TRP 113 -9.250 -18.392 -5.238 943 HE1 TRP 113 HE1 TRP 113 -10.230 -16.872 -7.008 944 HE3 TRP 113 HE3 TRP 113 -13.927 -20.488 -5.471 945 HZ2 TRP 113 HZ2 TRP 113 -12.730 -16.567 -8.367 946 HZ3 TRP 113 HZ3 TRP 113 -15.592 -19.522 -7.063 947 HH2 TRP 113 HH2 TRP 113 -14.990 -17.563 -8.487 948 H TYR 114 H TYR 114 -13.991 -21.710 -1.977 949 HA TYR 114 HA TYR 114 -14.451 -23.734 -1.085 950 HB2 TYR 114 1HB TYR 114 -12.320 -24.876 -2.889 951 HB3 TYR 114 2HB TYR 114 -13.786 -25.660 -2.296 952 HD1 TYR 114 HD1 TYR 114 -16.067 -24.670 -3.087 953 HD2 TYR 114 HD2 TYR 114 -12.308 -23.676 -4.937 954 HE1 TYR 114 HE1 TYR 114 -17.273 -23.841 -5.110 955 HE2 TYR 114 HE2 TYR 114 -13.525 -22.852 -6.956 956 HH TYR 114 HH TYR 114 -17.089 -22.885 -7.171 957 H ALA 115 H ALA 115 -13.488 -22.900 0.936 958 HA ALA 115 HA ALA 115 -11.063 -24.231 1.889 959 HB1 ALA 115 1HB ALA 115 -11.691 -23.206 4.053 960 HB2 ALA 115 2HB ALA 115 -11.751 -21.991 2.759 961 HB3 ALA 115 3HB ALA 115 -13.262 -22.706 3.381 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 14.261 35.804 6.160 2 H2 GLY 1 2H GLY 1 13.515 37.203 5.704 3 H3 GLY 1 3H GLY 1 13.353 35.841 4.785 4 HA2 GLY 1 1HA GLY 1 12.329 36.201 7.520 5 HA3 GLY 1 2HA GLY 1 11.352 36.232 6.038 6 H SER 2 H SER 2 10.318 34.420 7.568 7 HA SER 2 HA SER 2 11.665 31.918 7.737 8 HB2 SER 2 1HB SER 2 8.670 32.410 7.551 9 HB3 SER 2 2HB SER 2 9.492 31.039 8.331 10 HG SER 2 HG SER 2 8.966 32.507 9.924 11 HA PRO 3 HA PRO 3 11.195 30.586 3.540 12 HB2 PRO 3 1HB PRO 3 11.358 27.879 3.753 13 HB3 PRO 3 2HB PRO 3 12.762 28.935 4.098 14 HG2 PRO 3 1HG PRO 3 10.776 27.749 6.006 15 HG3 PRO 3 2HG PRO 3 12.566 27.663 6.046 16 HD2 PRO 3 1HD PRO 3 11.217 29.495 7.499 17 HD3 PRO 3 2HD PRO 3 12.775 29.908 6.703 18 H GLU 4 H GLU 4 9.836 29.126 2.121 19 HA GLU 4 HA GLU 4 7.078 29.606 2.647 20 HB2 GLU 4 1HB GLU 4 6.887 27.753 0.737 21 HB3 GLU 4 2HB GLU 4 7.350 29.421 0.406 22 HG2 GLU 4 1HG GLU 4 8.774 27.841 -0.819 23 HG3 GLU 4 2HG GLU 4 9.719 28.798 0.329 24 H PHE 5 H PHE 5 9.133 26.736 3.209 25 HA PHE 5 HA PHE 5 7.050 24.903 3.756 26 HB2 PHE 5 1HB PHE 5 9.441 24.299 3.579 27 HB3 PHE 5 2HB PHE 5 9.759 25.118 5.114 28 HD1 PHE 5 HD1 PHE 5 9.283 24.055 7.219 29 HD2 PHE 5 HD2 PHE 5 7.983 22.248 3.536 30 HE1 PHE 5 HE1 PHE 5 8.692 21.972 8.456 31 HE2 PHE 5 HE2 PHE 5 7.381 20.163 4.761 32 HZ PHE 5 HZ PHE 5 7.725 20.025 7.228 33 H ASN 6 H ASN 6 8.582 27.347 5.893 34 HA ASN 6 HA ASN 6 6.930 26.512 8.153 35 HB2 ASN 6 1HB ASN 6 8.766 28.865 7.658 36 HB3 ASN 6 2HB ASN 6 7.754 28.752 9.107 37 HD21 ASN 6 1HD2 ASN 6 9.523 25.873 10.384 38 HD22 ASN 6 2HD2 ASN 6 7.887 26.442 10.153 39 H ARG 7 H ARG 7 6.799 28.989 5.609 40 HA ARG 7 HA ARG 7 4.696 30.587 6.670 41 HB2 ARG 7 1HB ARG 7 6.100 31.097 4.660 42 HB3 ARG 7 2HB ARG 7 5.240 29.837 3.775 43 HG2 ARG 7 1HG ARG 7 3.121 31.101 4.071 44 HG3 ARG 7 2HG ARG 7 4.051 32.408 4.840 45 HD2 ARG 7 1HD ARG 7 5.429 32.609 2.795 46 HD3 ARG 7 2HD ARG 7 4.496 31.302 2.042 47 HE ARG 7 HE ARG 7 2.729 33.373 2.909 48 HH11 ARG 7 1HH1 ARG 7 5.085 32.715 0.363 49 HH12 ARG 7 2HH1 ARG 7 4.337 33.829 -0.749 50 HH21 ARG 7 1HH2 ARG 7 1.831 34.783 1.435 51 HH22 ARG 7 2HH2 ARG 7 2.523 34.967 -0.154 52 H TYR 8 H TYR 8 4.572 27.564 4.781 53 HA TYR 8 HA TYR 8 1.591 27.586 5.030 54 HB2 TYR 8 1HB TYR 8 3.479 26.004 3.245 55 HB3 TYR 8 2HB TYR 8 1.720 25.861 3.239 56 HD1 TYR 8 HD1 TYR 8 4.483 27.503 1.715 57 HD2 TYR 8 HD2 TYR 8 0.388 28.139 2.872 58 HE1 TYR 8 HE1 TYR 8 4.318 29.403 0.106 59 HE2 TYR 8 HE2 TYR 8 0.231 30.034 1.262 60 HH TYR 8 HH TYR 8 1.276 31.199 -0.398 61 H SER 9 H SER 9 3.909 26.642 6.984 62 HA SER 9 HA SER 9 4.126 23.912 7.127 63 HB2 SER 9 1HB SER 9 4.433 24.222 9.611 64 HB3 SER 9 2HB SER 9 5.413 25.281 8.581 65 HG SER 9 HG SER 9 4.228 26.991 9.137 66 H LYS 10 H LYS 10 1.380 25.726 8.449 67 HA LYS 10 HA LYS 10 0.161 23.794 10.015 68 HB2 LYS 10 1HB LYS 10 -2.030 24.869 9.030 69 HB3 LYS 10 2HB LYS 10 -0.928 25.843 10.002 70 HG2 LYS 10 1HG LYS 10 -0.120 27.070 8.126 71 HG3 LYS 10 2HG LYS 10 -0.664 25.850 6.969 72 HD2 LYS 10 1HD LYS 10 -3.053 26.416 7.650 73 HD3 LYS 10 2HD LYS 10 -2.373 27.804 8.523 74 HE2 LYS 10 1HE LYS 10 -3.012 28.666 6.405 75 HE3 LYS 10 2HE LYS 10 -1.253 28.467 6.297 76 HZ1 LYS 10 1HZ LYS 10 -3.231 26.518 5.228 77 HZ2 LYS 10 2HZ LYS 10 -1.593 26.438 5.029 78 HZ3 LYS 10 3HZ LYS 10 -2.447 27.642 4.313 79 H GLU 11 H GLU 11 -1.118 24.322 6.740 80 HA GLU 11 HA GLU 11 -2.309 21.700 6.781 81 HB2 GLU 11 1HB GLU 11 -3.259 23.889 5.855 82 HB3 GLU 11 2HB GLU 11 -2.197 23.652 4.488 83 HG2 GLU 11 1HG GLU 11 -4.282 22.806 3.786 84 HG3 GLU 11 2HG GLU 11 -3.323 21.368 4.166 85 H HIS 12 H HIS 12 0.635 23.148 5.423 86 HA HIS 12 HA HIS 12 1.075 21.122 3.433 87 HB2 HIS 12 1HB HIS 12 2.211 23.364 3.595 88 HB3 HIS 12 2HB HIS 12 3.161 22.733 4.946 89 HD1 HIS 12 HD1 HIS 12 5.253 23.289 3.297 90 HD2 HIS 12 HD2 HIS 12 2.746 20.170 2.128 91 HE1 HIS 12 HE1 HIS 12 6.489 21.977 1.525 92 H MET 13 H MET 13 2.233 21.418 6.862 93 HA MET 13 HA MET 13 3.619 18.873 6.718 94 HB2 MET 13 1HB MET 13 4.132 20.693 8.361 95 HB3 MET 13 2HB MET 13 2.607 20.337 9.180 96 HG2 MET 13 1HG MET 13 3.384 18.059 9.665 97 HG3 MET 13 2HG MET 13 4.907 18.387 8.817 98 HE1 MET 13 1HE MET 13 6.807 20.831 11.156 99 HE2 MET 13 2HE MET 13 6.904 19.724 9.768 100 HE3 MET 13 3HE MET 13 5.933 21.210 9.653 101 H LYS 14 H LYS 14 0.363 19.968 7.755 102 HA LYS 14 HA LYS 14 -0.572 17.477 8.775 103 HB2 LYS 14 1HB LYS 14 -1.828 19.598 8.907 104 HB3 LYS 14 2HB LYS 14 -1.996 19.606 7.155 105 HG2 LYS 14 1HG LYS 14 -3.334 17.494 7.322 106 HG3 LYS 14 2HG LYS 14 -3.328 17.705 9.092 107 HD2 LYS 14 1HD LYS 14 -4.357 19.906 8.847 108 HD3 LYS 14 2HD LYS 14 -4.195 19.800 7.090 109 HE2 LYS 14 1HE LYS 14 -5.718 17.817 7.109 110 HE3 LYS 14 2HE LYS 14 -6.017 18.137 8.839 111 HZ1 LYS 14 1HZ LYS 14 -6.759 20.367 8.207 112 HZ2 LYS 14 2HZ LYS 14 -7.653 19.241 7.394 113 HZ3 LYS 14 3HZ LYS 14 -6.453 20.073 6.615 114 H LYS 15 H LYS 15 -0.494 18.738 5.415 115 HA LYS 15 HA LYS 15 -1.714 16.483 4.168 116 HB2 LYS 15 1HB LYS 15 -0.146 18.850 3.369 117 HB3 LYS 15 2HB LYS 15 0.181 17.458 2.356 118 HG2 LYS 15 1HG LYS 15 -2.678 17.700 2.708 119 HG3 LYS 15 2HG LYS 15 -2.002 19.261 2.203 120 HD2 LYS 15 1HD LYS 15 -2.489 18.065 0.184 121 HD3 LYS 15 2HD LYS 15 -0.729 18.000 0.400 122 HE2 LYS 15 1HE LYS 15 -1.161 15.767 1.615 123 HE3 LYS 15 2HE LYS 15 -2.764 15.831 0.870 124 HZ1 LYS 15 1HZ LYS 15 -0.295 16.068 -0.718 125 HZ2 LYS 15 2HZ LYS 15 -1.821 15.664 -1.234 126 HZ3 LYS 15 3HZ LYS 15 -0.929 14.605 -0.321 127 H MET 16 H MET 16 1.765 17.330 4.482 128 HA MET 16 HA MET 16 2.700 14.983 3.230 129 HB2 MET 16 1HB MET 16 3.908 17.162 3.846 130 HB3 MET 16 2HB MET 16 4.207 16.419 5.423 131 HG2 MET 16 1HG MET 16 5.389 14.561 4.339 132 HG3 MET 16 2HG MET 16 5.016 15.234 2.742 133 HE1 MET 16 1HE MET 16 5.586 18.446 3.010 134 HE2 MET 16 2HE MET 16 7.260 18.373 2.418 135 HE3 MET 16 3HE MET 16 6.008 17.335 1.689 136 H MET 17 H MET 17 1.849 15.552 6.654 137 HA MET 17 HA MET 17 2.877 13.043 7.614 138 HB2 MET 17 1HB MET 17 2.166 14.948 9.070 139 HB3 MET 17 2HB MET 17 0.492 14.659 8.590 140 HG2 MET 17 1HG MET 17 0.665 12.355 9.569 141 HG3 MET 17 2HG MET 17 2.286 12.777 10.152 142 HE1 MET 17 1HE MET 17 -1.325 14.570 10.020 143 HE2 MET 17 2HE MET 17 -1.516 12.938 10.705 144 HE3 MET 17 3HE MET 17 -1.765 14.368 11.733 145 H LYS 18 H LYS 18 -0.405 14.056 6.493 146 HA LYS 18 HA LYS 18 -1.605 11.478 6.738 147 HB2 LYS 18 1HB LYS 18 -3.093 13.263 6.469 148 HB3 LYS 18 2HB LYS 18 -2.161 13.989 5.170 149 HG2 LYS 18 1HG LYS 18 -3.264 11.387 4.366 150 HG3 LYS 18 2HG LYS 18 -4.517 12.524 4.886 151 HD2 LYS 18 1HD LYS 18 -3.823 14.179 3.302 152 HD3 LYS 18 2HD LYS 18 -2.315 13.323 2.979 153 HE2 LYS 18 1HE LYS 18 -3.629 11.437 1.983 154 HE3 LYS 18 2HE LYS 18 -5.105 12.406 2.188 155 HZ1 LYS 18 1HZ LYS 18 -2.738 13.189 0.569 156 HZ2 LYS 18 2HZ LYS 18 -4.117 14.086 0.729 157 HZ3 LYS 18 3HZ LYS 18 -4.175 12.644 -0.048 158 H ASP 19 H ASP 19 0.235 12.980 4.059 159 HA ASP 19 HA ASP 19 -0.235 10.870 2.190 160 HB2 ASP 19 1HB ASP 19 2.188 12.695 2.422 161 HB3 ASP 19 2HB ASP 19 1.715 11.766 0.992 162 H LEU 20 H LEU 20 2.516 11.419 4.475 163 HA LEU 20 HA LEU 20 3.786 8.982 3.520 164 HB2 LEU 20 1HB LEU 20 4.482 10.930 5.712 165 HB3 LEU 20 2HB LEU 20 5.417 9.467 5.385 166 HG LEU 20 HG LEU 20 4.945 11.742 3.422 167 HD11 LEU 20 1HD1 LEU 20 6.488 12.273 5.270 168 HD12 LEU 20 2HD1 LEU 20 7.353 12.145 3.729 169 HD13 LEU 20 3HD1 LEU 20 7.439 10.814 4.903 170 HD21 LEU 20 1HD2 LEU 20 6.767 10.437 2.101 171 HD22 LEU 20 2HD2 LEU 20 5.124 9.773 2.056 172 HD23 LEU 20 3HD2 LEU 20 6.356 9.052 3.125 173 H GLU 21 H GLU 21 1.676 9.698 6.275 174 HA GLU 21 HA GLU 21 2.314 7.120 7.501 175 HB2 GLU 21 1HB GLU 21 -0.109 8.935 7.807 176 HB3 GLU 21 2HB GLU 21 0.169 7.447 8.726 177 HG2 GLU 21 1HG GLU 21 1.837 9.985 8.803 178 HG3 GLU 21 2HG GLU 21 0.870 9.295 10.110 179 H GLY 22 H GLY 22 0.330 8.356 4.878 180 HA2 GLY 22 1HA GLY 22 -1.169 5.921 4.456 181 HA3 GLY 22 2HA GLY 22 -0.849 7.196 3.251 182 H LEU 23 H LEU 23 1.992 7.212 3.336 183 HA LEU 23 HA LEU 23 2.634 4.988 1.651 184 HB2 LEU 23 1HB LEU 23 3.799 7.328 2.086 185 HB3 LEU 23 2HB LEU 23 4.800 6.377 3.182 186 HG LEU 23 HG LEU 23 4.362 5.671 0.254 187 HD11 LEU 23 1HD1 LEU 23 6.630 7.265 1.490 188 HD12 LEU 23 2HD1 LEU 23 5.354 7.899 0.418 189 HD13 LEU 23 3HD1 LEU 23 6.522 6.718 -0.198 190 HD21 LEU 23 1HD2 LEU 23 5.221 3.771 1.459 191 HD22 LEU 23 2HD2 LEU 23 6.409 4.767 2.326 192 HD23 LEU 23 3HD2 LEU 23 6.584 4.476 0.581 193 H HIS 24 H HIS 24 3.061 5.539 5.179 194 HA HIS 24 HA HIS 24 4.387 3.027 5.632 195 HB2 HIS 24 1HB HIS 24 2.642 4.662 7.499 196 HB3 HIS 24 2HB HIS 24 3.608 3.260 7.973 197 HD1 HIS 24 HD1 HIS 24 6.230 3.931 6.310 198 HD2 HIS 24 HD2 HIS 24 4.127 6.608 8.795 199 HE1 HIS 24 HE1 HIS 24 7.861 5.772 7.010 200 H ARG 25 H ARG 25 0.906 3.927 5.452 201 HA ARG 25 HA ARG 25 0.007 1.283 6.132 202 HB2 ARG 25 1HB ARG 25 -1.565 3.235 5.968 203 HB3 ARG 25 2HB ARG 25 -1.369 3.193 4.205 204 HG2 ARG 25 1HG ARG 25 -2.180 0.843 4.183 205 HG3 ARG 25 2HG ARG 25 -2.446 0.918 5.924 206 HD2 ARG 25 1HD ARG 25 -4.233 2.502 5.632 207 HD3 ARG 25 2HD ARG 25 -3.819 2.718 3.909 208 HE ARG 25 HE ARG 25 -4.230 -0.041 4.351 209 HH11 ARG 25 1HH1 ARG 25 -6.220 2.870 4.359 210 HH12 ARG 25 2HH1 ARG 25 -7.653 1.996 3.886 211 HH21 ARG 25 1HH2 ARG 25 -6.079 -1.078 3.736 212 HH22 ARG 25 2HH2 ARG 25 -7.571 -0.216 3.505 213 H ALA 26 H ALA 26 1.164 2.712 3.020 214 HA ALA 26 HA ALA 26 0.475 0.402 1.475 215 HB1 ALA 26 1HB ALA 26 2.801 2.304 1.002 216 HB2 ALA 26 2HB ALA 26 2.035 1.228 -0.186 217 HB3 ALA 26 3HB ALA 26 1.118 2.586 0.498 218 H GLU 27 H GLU 27 3.435 1.126 3.408 219 HA GLU 27 HA GLU 27 4.867 -1.258 2.604 220 HB2 GLU 27 1HB GLU 27 5.017 0.426 5.134 221 HB3 GLU 27 2HB GLU 27 6.201 -0.807 4.681 222 HG2 GLU 27 1HG GLU 27 6.872 0.462 2.720 223 HG3 GLU 27 2HG GLU 27 5.552 1.609 2.942 224 H GLN 28 H GLN 28 2.742 -0.437 5.330 225 HA GLN 28 HA GLN 28 2.757 -2.988 6.590 226 HB2 GLN 28 1HB GLN 28 1.842 -0.745 7.461 227 HB3 GLN 28 2HB GLN 28 0.403 -1.077 6.491 228 HG2 GLN 28 1HG GLN 28 -0.039 -1.775 8.741 229 HG3 GLN 28 2HG GLN 28 0.134 -3.227 7.752 230 HE21 GLN 28 1HE2 GLN 28 2.507 -4.548 9.904 231 HE22 GLN 28 2HE2 GLN 28 1.133 -4.793 8.838 232 H SER 29 H SER 29 0.992 -1.665 3.775 233 HA SER 29 HA SER 29 -0.878 -3.828 3.684 234 HB2 SER 29 1HB SER 29 -1.655 -3.001 1.659 235 HB3 SER 29 2HB SER 29 -1.088 -1.550 2.497 236 HG SER 29 HG SER 29 0.879 -1.768 1.258 237 H LEU 30 H LEU 30 2.328 -3.373 2.030 238 HA LEU 30 HA LEU 30 2.117 -5.911 0.582 239 HB2 LEU 30 1HB LEU 30 4.668 -5.820 0.714 240 HB3 LEU 30 2HB LEU 30 3.788 -4.738 -0.317 241 HG LEU 30 HG LEU 30 4.265 -3.194 1.902 242 HD11 LEU 30 1HD1 LEU 30 6.720 -4.871 1.299 243 HD12 LEU 30 2HD1 LEU 30 5.764 -4.933 2.795 244 HD13 LEU 30 3HD1 LEU 30 6.653 -3.461 2.382 245 HD21 LEU 30 1HD2 LEU 30 4.478 -2.265 -0.258 246 HD22 LEU 30 2HD2 LEU 30 5.760 -3.405 -0.709 247 HD23 LEU 30 3HD2 LEU 30 6.070 -2.139 0.496 248 H HIS 31 H HIS 31 3.542 -4.999 3.855 249 HA HIS 31 HA HIS 31 4.213 -7.775 4.263 250 HB2 HIS 31 1HB HIS 31 3.984 -5.488 6.189 251 HB3 HIS 31 2HB HIS 31 4.442 -7.129 6.672 252 HD1 HIS 31 HD1 HIS 31 6.180 -7.679 3.961 253 HD2 HIS 31 HD2 HIS 31 6.540 -4.461 6.613 254 HE1 HIS 31 HE1 HIS 31 8.537 -6.793 3.746 255 H ASP 32 H ASP 32 1.278 -5.982 5.227 256 HA ASP 32 HA ASP 32 0.133 -8.237 6.631 257 HB2 ASP 32 1HB ASP 32 -1.141 -5.834 5.258 258 HB3 ASP 32 2HB ASP 32 -2.050 -7.068 6.131 259 H LEU 33 H LEU 33 0.445 -7.282 3.222 260 HA LEU 33 HA LEU 33 -1.600 -9.053 2.229 261 HB2 LEU 33 1HB LEU 33 0.667 -7.538 1.032 262 HB3 LEU 33 2HB LEU 33 0.235 -9.007 0.202 263 HG LEU 33 HG LEU 33 -1.911 -7.016 0.898 264 HD11 LEU 33 1HD1 LEU 33 0.088 -6.840 -1.382 265 HD12 LEU 33 2HD1 LEU 33 -0.368 -5.590 -0.214 266 HD13 LEU 33 3HD1 LEU 33 -1.517 -6.090 -1.469 267 HD21 LEU 33 1HD2 LEU 33 -2.529 -9.270 0.061 268 HD22 LEU 33 2HD2 LEU 33 -1.557 -8.999 -1.390 269 HD23 LEU 33 3HD2 LEU 33 -2.990 -7.998 -1.086 270 H GLN 34 H GLN 34 2.029 -9.469 2.595 271 HA GLN 34 HA GLN 34 1.706 -12.239 1.810 272 HB2 GLN 34 1HB GLN 34 3.884 -12.616 3.183 273 HB3 GLN 34 2HB GLN 34 3.918 -11.858 1.620 274 HG2 GLN 34 1HG GLN 34 3.744 -10.055 3.977 275 HG3 GLN 34 2HG GLN 34 5.230 -10.960 3.788 276 HE21 GLN 34 1HE2 GLN 34 4.690 -8.912 0.358 277 HE22 GLN 34 2HE2 GLN 34 3.671 -10.264 0.796 278 H GLU 35 H GLU 35 1.659 -10.650 5.046 279 HA GLU 35 HA GLU 35 1.647 -13.057 6.545 280 HB2 GLU 35 1HB GLU 35 1.707 -10.564 7.291 281 HB3 GLU 35 2HB GLU 35 -0.051 -10.664 7.304 282 HG2 GLU 35 1HG GLU 35 1.853 -12.421 8.907 283 HG3 GLU 35 2HG GLU 35 0.990 -11.010 9.534 284 H ARG 36 H ARG 36 -1.157 -11.211 5.229 285 HA ARG 36 HA ARG 36 -3.031 -13.196 6.194 286 HB2 ARG 36 1HB ARG 36 -3.309 -10.905 4.246 287 HB3 ARG 36 2HB ARG 36 -4.659 -11.932 4.746 288 HG2 ARG 36 1HG ARG 36 -4.419 -11.269 7.062 289 HG3 ARG 36 2HG ARG 36 -2.934 -10.369 6.706 290 HD2 ARG 36 1HD ARG 36 -5.648 -9.711 5.520 291 HD3 ARG 36 2HD ARG 36 -4.954 -8.925 6.956 292 HE ARG 36 HE ARG 36 -3.036 -8.803 4.873 293 HH11 ARG 36 1HH1 ARG 36 -6.177 -7.384 5.647 294 HH12 ARG 36 2HH1 ARG 36 -5.867 -5.948 4.710 295 HH21 ARG 36 1HH2 ARG 36 -2.714 -6.944 3.691 296 HH22 ARG 36 2HH2 ARG 36 -3.936 -5.705 3.621 297 H LEU 37 H LEU 37 -1.129 -12.948 3.250 298 HA LEU 37 HA LEU 37 -2.820 -14.804 1.758 299 HB2 LEU 37 1HB LEU 37 -1.248 -13.196 0.721 300 HB3 LEU 37 2HB LEU 37 0.106 -14.038 1.439 301 HG LEU 37 HG LEU 37 -0.411 -14.327 -1.043 302 HD11 LEU 37 1HD1 LEU 37 -0.006 -16.846 0.588 303 HD12 LEU 37 2HD1 LEU 37 1.253 -15.643 0.219 304 HD13 LEU 37 3HD1 LEU 37 0.486 -16.556 -1.094 305 HD21 LEU 37 1HD2 LEU 37 -2.361 -16.428 -0.037 306 HD22 LEU 37 2HD2 LEU 37 -1.941 -16.049 -1.720 307 HD23 LEU 37 3HD2 LEU 37 -2.837 -14.870 -0.749 308 H HIS 38 H HIS 38 0.146 -14.975 3.764 309 HA HIS 38 HA HIS 38 0.522 -17.804 3.550 310 HB2 HIS 38 1HB HIS 38 1.289 -15.714 5.584 311 HB3 HIS 38 2HB HIS 38 1.493 -17.428 5.968 312 HD1 HIS 38 HD1 HIS 38 3.318 -18.779 4.679 313 HD2 HIS 38 HD2 HIS 38 3.074 -14.731 3.648 314 HE1 HIS 38 HE1 HIS 38 5.395 -18.213 3.337 315 H LYS 39 H LYS 39 -1.427 -15.775 5.813 316 HA LYS 39 HA LYS 39 -2.536 -17.962 7.294 317 HB2 LYS 39 1HB LYS 39 -3.620 -15.234 6.527 318 HB3 LYS 39 2HB LYS 39 -4.546 -16.350 7.523 319 HG2 LYS 39 1HG LYS 39 -1.756 -15.512 8.292 320 HG3 LYS 39 2HG LYS 39 -3.178 -14.527 8.699 321 HD2 LYS 39 1HD LYS 39 -4.209 -16.438 9.825 322 HD3 LYS 39 2HD LYS 39 -2.816 -17.447 9.413 323 HE2 LYS 39 1HE LYS 39 -2.632 -14.935 11.091 324 HE3 LYS 39 2HE LYS 39 -2.814 -16.582 11.751 325 HZ1 LYS 39 1HZ LYS 39 -0.523 -16.071 11.685 326 HZ2 LYS 39 2HZ LYS 39 -0.577 -15.544 10.123 327 HZ3 LYS 39 3HZ LYS 39 -0.787 -17.157 10.473 328 H ALA 40 H ALA 40 -3.694 -16.331 4.320 329 HA ALA 40 HA ALA 40 -6.081 -17.783 4.053 330 HB1 ALA 40 1HB ALA 40 -6.006 -17.104 1.685 331 HB2 ALA 40 2HB ALA 40 -5.605 -15.756 2.768 332 HB3 ALA 40 3HB ALA 40 -4.318 -16.602 1.878 333 H GLN 41 H GLN 41 -2.765 -18.616 2.746 334 HA GLN 41 HA GLN 41 -4.042 -21.075 1.723 335 HB2 GLN 41 1HB GLN 41 -2.061 -20.010 0.618 336 HB3 GLN 41 2HB GLN 41 -1.076 -20.496 2.007 337 HG2 GLN 41 1HG GLN 41 -1.680 -22.872 1.568 338 HG3 GLN 41 2HG GLN 41 -2.628 -22.358 0.165 339 HE21 GLN 41 1HE2 GLN 41 1.481 -22.259 0.006 340 HE22 GLN 41 2HE2 GLN 41 0.659 -22.134 1.542 341 H GLU 42 H GLU 42 -1.470 -20.480 4.254 342 HA GLU 42 HA GLU 42 -1.359 -23.223 4.890 343 HB2 GLU 42 1HB GLU 42 -0.581 -20.839 6.591 344 HB3 GLU 42 2HB GLU 42 -0.115 -22.518 6.905 345 HG2 GLU 42 1HG GLU 42 1.058 -22.617 4.737 346 HG3 GLU 42 2HG GLU 42 0.575 -20.953 4.382 347 H GLU 43 H GLU 43 -3.345 -20.685 6.445 348 HA GLU 43 HA GLU 43 -4.429 -22.832 8.186 349 HB2 GLU 43 1HB GLU 43 -4.932 -19.843 8.191 350 HB3 GLU 43 2HB GLU 43 -5.640 -21.007 9.316 351 HG2 GLU 43 1HG GLU 43 -3.361 -21.612 10.102 352 HG3 GLU 43 2HG GLU 43 -2.673 -20.406 8.999 353 H HIS 44 H HIS 44 -5.459 -20.626 5.529 354 HA HIS 44 HA HIS 44 -8.214 -21.632 5.995 355 HB2 HIS 44 1HB HIS 44 -7.338 -19.298 4.319 356 HB3 HIS 44 2HB HIS 44 -8.992 -19.832 4.523 357 HD1 HIS 44 HD1 HIS 44 -6.092 -18.735 6.819 358 HD2 HIS 44 HD2 HIS 44 -10.249 -18.590 6.528 359 HE1 HIS 44 HE1 HIS 44 -6.923 -17.396 8.800 360 H ARG 45 H ARG 45 -5.670 -22.268 3.937 361 HA ARG 45 HA ARG 45 -5.502 -23.524 2.022 362 HB2 ARG 45 1HB ARG 45 -6.501 -25.746 2.323 363 HB3 ARG 45 2HB ARG 45 -5.709 -25.134 3.773 364 HG2 ARG 45 1HG ARG 45 -7.806 -24.709 4.869 365 HG3 ARG 45 2HG ARG 45 -8.706 -24.952 3.364 366 HD2 ARG 45 1HD ARG 45 -7.562 -27.327 3.432 367 HD3 ARG 45 2HD ARG 45 -7.452 -26.974 5.168 368 HE ARG 45 HE ARG 45 -9.770 -27.147 5.334 369 HH11 ARG 45 1HH1 ARG 45 -8.932 -27.021 1.901 370 HH12 ARG 45 2HH1 ARG 45 -10.546 -27.515 1.410 371 HH21 ARG 45 1HH2 ARG 45 -11.812 -27.736 4.578 372 HH22 ARG 45 2HH2 ARG 45 -12.106 -27.861 2.851 373 H THR 46 H THR 46 -7.039 -21.484 1.203 374 HA THR 46 HA THR 46 -9.462 -22.050 -0.047 375 HB THR 46 HB THR 46 -8.513 -19.822 -0.066 376 HG1 THR 46 HG1 THR 46 -8.854 -19.311 -2.228 377 HG21 THR 46 1HG2 THR 46 -6.132 -20.249 -0.167 378 HG22 THR 46 2HG2 THR 46 -6.569 -19.275 -1.580 379 HG23 THR 46 3HG2 THR 46 -6.281 -21.018 -1.767 380 H VAL 47 H VAL 47 -10.029 -22.579 -2.199 381 HA VAL 47 HA VAL 47 -9.016 -25.043 -3.085 382 HB VAL 47 HB VAL 47 -11.287 -23.989 -3.520 383 HG11 VAL 47 1HG1 VAL 47 -11.621 -22.591 -5.486 384 HG12 VAL 47 2HG1 VAL 47 -10.491 -21.798 -4.374 385 HG13 VAL 47 3HG1 VAL 47 -9.879 -22.605 -5.840 386 HG21 VAL 47 1HG2 VAL 47 -10.573 -26.090 -4.604 387 HG22 VAL 47 2HG2 VAL 47 -11.668 -25.140 -5.627 388 HG23 VAL 47 3HG2 VAL 47 -9.921 -25.156 -5.972 389 H GLU 48 H GLU 48 -7.739 -21.867 -3.755 390 HA GLU 48 HA GLU 48 -6.221 -22.931 -6.058 391 HB2 GLU 48 1HB GLU 48 -5.456 -20.665 -6.412 392 HB3 GLU 48 2HB GLU 48 -7.215 -20.769 -6.359 393 HG2 GLU 48 1HG GLU 48 -7.241 -19.847 -4.111 394 HG3 GLU 48 2HG GLU 48 -5.468 -19.799 -4.089 395 H VAL 49 H VAL 49 -5.744 -23.808 -3.211 396 HA VAL 49 HA VAL 49 -3.190 -22.924 -2.337 397 HB VAL 49 HB VAL 49 -4.528 -24.434 -0.946 398 HG11 VAL 49 1HG1 VAL 49 -4.203 -26.529 -3.143 399 HG12 VAL 49 2HG1 VAL 49 -4.915 -26.814 -1.540 400 HG13 VAL 49 3HG1 VAL 49 -5.713 -25.713 -2.672 401 HG21 VAL 49 1HG2 VAL 49 -2.875 -26.065 -0.261 402 HG22 VAL 49 2HG2 VAL 49 -2.064 -25.986 -1.842 403 HG23 VAL 49 3HG2 VAL 49 -2.032 -24.584 -0.750 404 H GLU 50 H GLU 50 -1.148 -23.352 -2.987 405 HA GLU 50 HA GLU 50 0.595 -23.826 -4.361 406 HB2 GLU 50 1HB GLU 50 -0.160 -26.206 -4.122 407 HB3 GLU 50 2HB GLU 50 -1.025 -26.032 -5.655 408 HG2 GLU 50 1HG GLU 50 1.105 -25.471 -6.785 409 HG3 GLU 50 2HG GLU 50 1.964 -25.693 -5.252 410 H LYS 51 H LYS 51 -2.507 -23.837 -6.146 411 HA LYS 51 HA LYS 51 -1.496 -22.936 -8.671 412 HB2 LYS 51 1HB LYS 51 -3.774 -23.778 -8.422 413 HB3 LYS 51 2HB LYS 51 -4.144 -22.517 -7.254 414 HG2 LYS 51 1HG LYS 51 -3.801 -20.809 -9.070 415 HG3 LYS 51 2HG LYS 51 -3.694 -22.140 -10.229 416 HD2 LYS 51 1HD LYS 51 -5.950 -22.719 -9.940 417 HD3 LYS 51 2HD LYS 51 -6.043 -21.966 -8.343 418 HE2 LYS 51 1HE LYS 51 -5.799 -20.467 -10.980 419 HE3 LYS 51 2HE LYS 51 -7.288 -20.663 -10.039 420 HZ1 LYS 51 1HZ LYS 51 -4.860 -19.232 -9.087 421 HZ2 LYS 51 2HZ LYS 51 -6.260 -19.387 -8.233 422 HZ3 LYS 51 3HZ LYS 51 -6.239 -18.509 -9.624 423 H VAL 52 H VAL 52 -2.267 -21.231 -5.665 424 HA VAL 52 HA VAL 52 -2.109 -18.587 -6.789 425 HB VAL 52 HB VAL 52 -3.235 -19.326 -4.601 426 HG11 VAL 52 1HG1 VAL 52 -1.322 -20.558 -3.609 427 HG12 VAL 52 2HG1 VAL 52 -0.426 -19.025 -3.456 428 HG13 VAL 52 3HG1 VAL 52 -1.921 -19.282 -2.529 429 HG21 VAL 52 1HG2 VAL 52 -2.958 -17.178 -3.531 430 HG22 VAL 52 2HG2 VAL 52 -1.442 -16.887 -4.416 431 HG23 VAL 52 3HG2 VAL 52 -2.990 -16.967 -5.291 432 H HIS 53 H HIS 53 0.305 -20.903 -6.205 433 HA HIS 53 HA HIS 53 2.535 -20.773 -5.617 434 HB2 HIS 53 1HB HIS 53 3.761 -19.632 -7.634 435 HB3 HIS 53 2HB HIS 53 2.858 -21.138 -7.803 436 HD1 HIS 53 HD1 HIS 53 1.495 -21.167 -9.879 437 HD2 HIS 53 HD2 HIS 53 1.759 -17.346 -8.241 438 HE1 HIS 53 HE1 HIS 53 0.226 -19.617 -11.424 439 H LEU 54 H LEU 54 2.823 -19.761 -3.774 440 HA LEU 54 HA LEU 54 2.711 -17.195 -2.995 441 HB2 LEU 54 1HB LEU 54 4.372 -19.515 -2.226 442 HB3 LEU 54 2HB LEU 54 4.979 -17.953 -1.686 443 HG LEU 54 HG LEU 54 2.822 -17.494 -0.571 444 HD11 LEU 54 1HD1 LEU 54 1.241 -19.374 -0.177 445 HD12 LEU 54 2HD1 LEU 54 2.140 -20.362 -1.353 446 HD13 LEU 54 3HD1 LEU 54 1.291 -18.887 -1.877 447 HD21 LEU 54 1HD2 LEU 54 3.170 -19.068 1.285 448 HD22 LEU 54 2HD2 LEU 54 4.711 -18.462 0.653 449 HD23 LEU 54 3HD2 LEU 54 4.164 -20.104 0.232 450 H GLU 55 H GLU 55 5.645 -18.396 -4.742 451 HA GLU 55 HA GLU 55 7.218 -16.096 -4.217 452 HB2 GLU 55 1HB GLU 55 7.114 -18.145 -6.413 453 HB3 GLU 55 2HB GLU 55 8.029 -16.663 -6.693 454 HG2 GLU 55 1HG GLU 55 9.271 -17.129 -4.552 455 HG3 GLU 55 2HG GLU 55 8.508 -18.734 -4.555 456 H LYS 56 H LYS 56 5.066 -16.765 -7.011 457 HA LYS 56 HA LYS 56 5.556 -14.173 -8.201 458 HB2 LYS 56 1HB LYS 56 3.257 -16.111 -8.613 459 HB3 LYS 56 2HB LYS 56 3.611 -14.709 -9.626 460 HG2 LYS 56 1HG LYS 56 5.810 -15.739 -10.209 461 HG3 LYS 56 2HG LYS 56 5.339 -17.180 -9.277 462 HD2 LYS 56 1HD LYS 56 3.309 -17.379 -10.710 463 HD3 LYS 56 2HD LYS 56 3.892 -16.021 -11.685 464 HE2 LYS 56 1HE LYS 56 5.907 -17.308 -12.274 465 HE3 LYS 56 2HE LYS 56 5.348 -18.657 -11.254 466 HZ1 LYS 56 1HZ LYS 56 3.384 -18.819 -12.666 467 HZ2 LYS 56 2HZ LYS 56 4.755 -19.012 -13.567 468 HZ3 LYS 56 3HZ LYS 56 3.920 -17.589 -13.623 469 H LYS 57 H LYS 57 3.067 -15.566 -6.065 470 HA LYS 57 HA LYS 57 1.318 -13.344 -6.168 471 HB2 LYS 57 1HB LYS 57 0.812 -15.576 -5.159 472 HB3 LYS 57 2HB LYS 57 1.856 -15.172 -3.798 473 HG2 LYS 57 1HG LYS 57 -0.439 -14.817 -3.188 474 HG3 LYS 57 2HG LYS 57 0.390 -13.258 -3.266 475 HD2 LYS 57 1HD LYS 57 -0.722 -13.800 -5.858 476 HD3 LYS 57 2HD LYS 57 -1.964 -14.139 -4.658 477 HE2 LYS 57 1HE LYS 57 -0.361 -11.558 -4.844 478 HE3 LYS 57 2HE LYS 57 -2.012 -11.785 -5.445 479 HZ1 LYS 57 1HZ LYS 57 -1.104 -11.795 -2.631 480 HZ2 LYS 57 2HZ LYS 57 -2.595 -12.366 -3.083 481 HZ3 LYS 57 3HZ LYS 57 -2.198 -10.786 -3.353 482 H LEU 58 H LEU 58 3.988 -14.030 -3.847 483 HA LEU 58 HA LEU 58 3.687 -11.575 -2.419 484 HB2 LEU 58 1HB LEU 58 5.800 -13.655 -2.725 485 HB3 LEU 58 2HB LEU 58 6.336 -12.066 -2.197 486 HG LEU 58 HG LEU 58 4.818 -12.143 -0.285 487 HD11 LEU 58 1HD1 LEU 58 3.020 -13.598 -1.076 488 HD12 LEU 58 2HD1 LEU 58 3.737 -14.275 0.396 489 HD13 LEU 58 3HD1 LEU 58 4.147 -14.974 -1.185 490 HD21 LEU 58 1HD2 LEU 58 6.051 -13.861 0.984 491 HD22 LEU 58 2HD2 LEU 58 7.128 -12.930 -0.078 492 HD23 LEU 58 3HD2 LEU 58 6.624 -14.575 -0.540 493 H ARG 59 H ARG 59 5.687 -12.492 -5.252 494 HA ARG 59 HA ARG 59 7.103 -10.050 -5.461 495 HB2 ARG 59 1HB ARG 59 7.371 -12.259 -6.701 496 HB3 ARG 59 2HB ARG 59 6.100 -11.715 -7.792 497 HG2 ARG 59 1HG ARG 59 7.555 -9.741 -8.358 498 HG3 ARG 59 2HG ARG 59 8.828 -10.482 -7.360 499 HD2 ARG 59 1HD ARG 59 7.542 -11.582 -9.886 500 HD3 ARG 59 2HD ARG 59 9.246 -11.168 -9.644 501 HE ARG 59 HE ARG 59 7.838 -13.615 -8.820 502 HH11 ARG 59 1HH1 ARG 59 10.809 -11.753 -8.402 503 HH12 ARG 59 2HH1 ARG 59 11.689 -13.134 -7.802 504 HH21 ARG 59 1HH2 ARG 59 9.023 -15.315 -8.032 505 HH22 ARG 59 2HH2 ARG 59 10.691 -15.122 -7.599 506 H ASP 60 H ASP 60 3.948 -10.978 -6.859 507 HA ASP 60 HA ASP 60 3.661 -8.443 -8.234 508 HB2 ASP 60 1HB ASP 60 1.763 -10.754 -7.752 509 HB3 ASP 60 2HB ASP 60 1.383 -9.347 -8.758 510 H GLU 61 H GLU 61 2.424 -9.733 -5.117 511 HA GLU 61 HA GLU 61 0.506 -7.559 -4.859 512 HB2 GLU 61 1HB GLU 61 -0.012 -8.453 -2.758 513 HB3 GLU 61 2HB GLU 61 0.375 -9.832 -3.769 514 HG2 GLU 61 1HG GLU 61 2.722 -9.698 -2.738 515 HG3 GLU 61 2HG GLU 61 2.020 -8.614 -1.543 516 H ILE 62 H ILE 62 3.804 -8.181 -3.561 517 HA ILE 62 HA ILE 62 4.037 -5.677 -2.222 518 HB ILE 62 HB ILE 62 6.244 -7.376 -3.496 519 HG12 ILE 62 1HG1 ILE 62 5.301 -7.263 -0.602 520 HG13 ILE 62 2HG1 ILE 62 4.795 -8.507 -1.724 521 HG21 ILE 62 1HG2 ILE 62 6.873 -4.968 -2.915 522 HG22 ILE 62 2HG2 ILE 62 6.433 -5.336 -1.232 523 HG23 ILE 62 3HG2 ILE 62 7.780 -6.191 -2.012 524 HD11 ILE 62 1HD1 ILE 62 7.575 -8.018 -0.637 525 HD12 ILE 62 2HD1 ILE 62 6.541 -9.439 -0.422 526 HD13 ILE 62 3HD1 ILE 62 7.250 -9.106 -2.014 527 H ASN 63 H ASN 63 4.496 -6.700 -5.647 528 HA ASN 63 HA ASN 63 5.552 -4.166 -6.506 529 HB2 ASN 63 1HB ASN 63 5.641 -6.154 -7.951 530 HB3 ASN 63 2HB ASN 63 3.879 -6.165 -8.055 531 HD21 ASN 63 1HD2 ASN 63 3.698 -3.906 -10.654 532 HD22 ASN 63 2HD2 ASN 63 2.931 -5.110 -9.646 533 H LEU 64 H LEU 64 2.193 -5.369 -6.150 534 HA LEU 64 HA LEU 64 0.895 -3.057 -7.245 535 HB2 LEU 64 1HB LEU 64 -0.266 -5.175 -6.830 536 HB3 LEU 64 2HB LEU 64 0.073 -5.051 -5.118 537 HG LEU 64 HG LEU 64 -1.398 -3.031 -4.995 538 HD11 LEU 64 1HD1 LEU 64 -2.170 -3.910 -7.808 539 HD12 LEU 64 2HD1 LEU 64 -1.432 -2.358 -7.346 540 HD13 LEU 64 3HD1 LEU 64 -3.074 -2.750 -6.804 541 HD21 LEU 64 1HD2 LEU 64 -2.041 -5.320 -4.322 542 HD22 LEU 64 2HD2 LEU 64 -2.644 -5.627 -5.966 543 HD23 LEU 64 3HD2 LEU 64 -3.412 -4.389 -4.940 544 H ALA 65 H ALA 65 1.846 -3.924 -3.876 545 HA ALA 65 HA ALA 65 0.887 -1.455 -2.755 546 HB1 ALA 65 1HB ALA 65 3.054 -3.337 -1.809 547 HB2 ALA 65 2HB ALA 65 2.268 -2.070 -0.834 548 HB3 ALA 65 3HB ALA 65 1.319 -3.448 -1.430 549 H LYS 66 H LYS 66 3.958 -2.357 -4.315 550 HA LYS 66 HA LYS 66 5.425 0.016 -3.595 551 HB2 LYS 66 1HB LYS 66 6.950 -1.354 -4.537 552 HB3 LYS 66 2HB LYS 66 5.710 -2.261 -5.382 553 HG2 LYS 66 1HG LYS 66 5.697 -0.486 -7.171 554 HG3 LYS 66 2HG LYS 66 7.117 0.229 -6.380 555 HD2 LYS 66 1HD LYS 66 8.372 -1.826 -6.737 556 HD3 LYS 66 2HD LYS 66 6.907 -2.651 -7.305 557 HE2 LYS 66 1HE LYS 66 6.768 -0.875 -9.136 558 HE3 LYS 66 2HE LYS 66 8.430 -0.426 -8.687 559 HZ1 LYS 66 1HZ LYS 66 8.412 -2.056 -10.466 560 HZ2 LYS 66 2HZ LYS 66 7.501 -3.105 -9.573 561 HZ3 LYS 66 3HZ LYS 66 9.052 -2.756 -9.114 562 H GLN 67 H GLN 67 3.062 -0.718 -6.153 563 HA GLN 67 HA GLN 67 3.476 1.783 -7.563 564 HB2 GLN 67 1HB GLN 67 1.159 -0.170 -7.502 565 HB3 GLN 67 2HB GLN 67 1.204 1.252 -8.549 566 HG2 GLN 67 1HG GLN 67 3.127 0.424 -9.741 567 HG3 GLN 67 2HG GLN 67 3.356 -0.890 -8.593 568 HE21 GLN 67 1HE2 GLN 67 -0.110 -1.870 -10.246 569 HE22 GLN 67 2HE2 GLN 67 0.087 -0.740 -8.930 570 H GLU 68 H GLU 68 1.073 0.630 -5.087 571 HA GLU 68 HA GLU 68 -0.192 3.108 -4.637 572 HB2 GLU 68 1HB GLU 68 -0.624 0.823 -3.568 573 HB3 GLU 68 2HB GLU 68 0.703 1.181 -2.473 574 HG2 GLU 68 1HG GLU 68 -0.516 3.281 -1.850 575 HG3 GLU 68 2HG GLU 68 -1.897 2.645 -2.745 576 H ALA 69 H ALA 69 2.857 1.881 -3.116 577 HA ALA 69 HA ALA 69 3.291 4.137 -1.464 578 HB1 ALA 69 1HB ALA 69 5.619 3.338 -1.329 579 HB2 ALA 69 2HB ALA 69 4.469 1.989 -1.209 580 HB3 ALA 69 3HB ALA 69 5.345 2.277 -2.730 581 H GLN 70 H GLN 70 4.338 3.585 -4.862 582 HA GLN 70 HA GLN 70 5.960 5.946 -4.993 583 HB2 GLN 70 1HB GLN 70 5.981 4.097 -6.680 584 HB3 GLN 70 2HB GLN 70 4.404 4.651 -7.259 585 HG2 GLN 70 1HG GLN 70 6.239 5.496 -8.682 586 HG3 GLN 70 2HG GLN 70 5.371 6.823 -7.898 587 HE21 GLN 70 1HE2 GLN 70 8.476 8.140 -6.999 588 HE22 GLN 70 2HE2 GLN 70 6.978 8.350 -7.883 589 H ARG 71 H ARG 71 2.499 5.340 -5.648 590 HA ARG 71 HA ARG 71 1.913 8.011 -6.506 591 HB2 ARG 71 1HB ARG 71 0.248 5.858 -5.182 592 HB3 ARG 71 2HB ARG 71 -0.416 7.411 -5.693 593 HG2 ARG 71 1HG ARG 71 0.247 6.959 -7.981 594 HG3 ARG 71 2HG ARG 71 0.950 5.410 -7.501 595 HD2 ARG 71 1HD ARG 71 -1.153 4.468 -7.028 596 HD3 ARG 71 2HD ARG 71 -1.912 6.062 -6.849 597 HE ARG 71 HE ARG 71 -2.093 6.304 -9.166 598 HH11 ARG 71 1HH1 ARG 71 -0.372 3.296 -8.466 599 HH12 ARG 71 2HH1 ARG 71 -0.584 2.704 -10.094 600 HH21 ARG 71 1HH2 ARG 71 -2.348 5.501 -11.157 601 HH22 ARG 71 2HH2 ARG 71 -1.670 3.953 -11.608 602 H LEU 72 H LEU 72 2.282 6.552 -3.264 603 HA LEU 72 HA LEU 72 1.254 8.917 -1.947 604 HB2 LEU 72 1HB LEU 72 2.712 6.466 -0.986 605 HB3 LEU 72 2HB LEU 72 2.235 7.791 0.097 606 HG LEU 72 HG LEU 72 0.169 6.680 -1.769 607 HD11 LEU 72 1HD1 LEU 72 1.194 4.668 -0.822 608 HD12 LEU 72 2HD1 LEU 72 -0.481 4.911 -0.304 609 HD13 LEU 72 3HD1 LEU 72 0.845 5.287 0.792 610 HD21 LEU 72 1HD2 LEU 72 -0.359 8.583 -0.343 611 HD22 LEU 72 2HD2 LEU 72 0.059 7.643 1.099 612 HD23 LEU 72 3HD2 LEU 72 -1.336 7.176 0.100 613 H LYS 73 H LYS 73 4.367 7.906 -3.274 614 HA LYS 73 HA LYS 73 5.827 10.055 -1.926 615 HB2 LYS 73 1HB LYS 73 6.490 8.686 -4.555 616 HB3 LYS 73 2HB LYS 73 7.535 9.793 -3.675 617 HG2 LYS 73 1HG LYS 73 7.550 8.175 -1.770 618 HG3 LYS 73 2HG LYS 73 6.647 7.055 -2.803 619 HD2 LYS 73 1HD LYS 73 8.527 7.429 -4.532 620 HD3 LYS 73 2HD LYS 73 9.442 8.127 -3.185 621 HE2 LYS 73 1HE LYS 73 10.066 5.822 -3.326 622 HE3 LYS 73 2HE LYS 73 8.987 5.958 -1.917 623 HZ1 LYS 73 1HZ LYS 73 8.160 5.086 -4.637 624 HZ2 LYS 73 2HZ LYS 73 7.175 5.168 -3.311 625 HZ3 LYS 73 3HZ LYS 73 8.411 4.073 -3.351 626 H GLU 74 H GLU 74 4.258 9.644 -5.145 627 HA GLU 74 HA GLU 74 4.872 12.215 -6.203 628 HB2 GLU 74 1HB GLU 74 2.237 10.697 -6.504 629 HB3 GLU 74 2HB GLU 74 2.802 11.995 -7.542 630 HG2 GLU 74 1HG GLU 74 4.003 9.228 -7.305 631 HG3 GLU 74 2HG GLU 74 3.019 9.834 -8.628 632 H LEU 75 H LEU 75 2.241 11.063 -4.150 633 HA LEU 75 HA LEU 75 0.817 13.505 -3.922 634 HB2 LEU 75 1HB LEU 75 0.060 11.180 -3.424 635 HB3 LEU 75 2HB LEU 75 1.085 11.181 -2.002 636 HG LEU 75 HG LEU 75 -0.318 13.039 -1.099 637 HD11 LEU 75 1HD1 LEU 75 -2.596 13.246 -2.002 638 HD12 LEU 75 2HD1 LEU 75 -2.114 12.242 -3.379 639 HD13 LEU 75 3HD1 LEU 75 -1.368 13.833 -3.132 640 HD21 LEU 75 1HD2 LEU 75 -1.528 10.332 -1.762 641 HD22 LEU 75 2HD2 LEU 75 -2.143 11.421 -0.503 642 HD23 LEU 75 3HD2 LEU 75 -0.516 10.748 -0.354 643 H ARG 76 H ARG 76 3.370 12.059 -1.786 644 HA ARG 76 HA ARG 76 3.130 14.178 0.140 645 HB2 ARG 76 1HB ARG 76 4.895 13.259 1.309 646 HB3 ARG 76 2HB ARG 76 4.137 11.874 0.540 647 HG2 ARG 76 1HG ARG 76 6.135 11.266 -0.245 648 HG3 ARG 76 2HG ARG 76 6.198 12.724 -1.235 649 HD2 ARG 76 1HD ARG 76 7.064 12.638 1.667 650 HD3 ARG 76 2HD ARG 76 8.172 12.362 0.320 651 HE ARG 76 HE ARG 76 6.887 14.913 1.095 652 HH11 ARG 76 1HH1 ARG 76 8.999 13.258 -1.211 653 HH12 ARG 76 2HH1 ARG 76 9.634 14.753 -1.834 654 HH21 ARG 76 1HH2 ARG 76 7.735 16.759 0.250 655 HH22 ARG 76 2HH2 ARG 76 8.943 16.702 -1.007 656 H GLU 77 H GLU 77 4.836 14.070 -2.922 657 HA GLU 77 HA GLU 77 6.329 16.472 -2.042 658 HB2 GLU 77 1HB GLU 77 7.567 16.414 -4.050 659 HB3 GLU 77 2HB GLU 77 7.590 14.848 -3.265 660 HG2 GLU 77 1HG GLU 77 5.908 14.047 -4.910 661 HG3 GLU 77 2HG GLU 77 6.096 15.593 -5.763 662 H GLY 78 H GLY 78 3.281 15.985 -2.739 663 HA2 GLY 78 1HA GLY 78 2.852 18.363 -4.404 664 HA3 GLY 78 2HA GLY 78 1.629 17.472 -3.455 665 H THR 79 H THR 79 1.149 19.945 -2.945 666 HA THR 79 HA THR 79 2.616 20.544 -0.417 667 HB THR 79 HB THR 79 3.439 22.073 -2.229 668 HG1 THR 79 HG1 THR 79 3.535 22.862 -0.186 669 HG21 THR 79 1HG2 THR 79 0.611 23.187 -2.222 670 HG22 THR 79 2HG2 THR 79 1.345 22.260 -3.551 671 HG23 THR 79 3HG2 THR 79 2.012 23.838 -3.091 672 H GLU 80 H GLU 80 0.952 22.702 0.379 673 HA GLU 80 HA GLU 80 -1.215 21.176 1.445 674 HB2 GLU 80 1HB GLU 80 -1.940 23.176 2.496 675 HB3 GLU 80 2HB GLU 80 -0.189 23.066 2.600 676 HG2 GLU 80 1HG GLU 80 0.080 24.799 0.941 677 HG3 GLU 80 2HG GLU 80 -1.661 24.808 0.604 678 H ASN 81 H ASN 81 -1.068 22.164 -1.661 679 HA ASN 81 HA ASN 81 -3.942 21.801 -2.007 680 HB2 ASN 81 1HB ASN 81 -4.305 23.827 -3.280 681 HB3 ASN 81 2HB ASN 81 -3.688 24.311 -1.694 682 HD21 ASN 81 1HD2 ASN 81 -0.697 25.670 -2.958 683 HD22 ASN 81 2HD2 ASN 81 -1.552 25.111 -1.537 684 H GLU 82 H GLU 82 -4.259 21.556 -4.477 685 HA GLU 82 HA GLU 82 -1.700 20.663 -5.735 686 HB2 GLU 82 1HB GLU 82 -3.036 18.936 -6.869 687 HB3 GLU 82 2HB GLU 82 -2.960 18.722 -5.127 688 HG2 GLU 82 1HG GLU 82 -5.204 19.329 -4.830 689 HG3 GLU 82 2HG GLU 82 -5.299 20.113 -6.416 690 H ARG 83 H ARG 83 -2.662 23.299 -5.943 691 HA ARG 83 HA ARG 83 -4.057 23.506 -8.537 692 HB2 ARG 83 1HB ARG 83 -2.716 25.619 -6.800 693 HB3 ARG 83 2HB ARG 83 -3.729 25.950 -8.214 694 HG2 ARG 83 1HG ARG 83 -5.691 25.062 -7.126 695 HG3 ARG 83 2HG ARG 83 -4.732 24.426 -5.782 696 HD2 ARG 83 1HD ARG 83 -4.084 26.747 -5.177 697 HD3 ARG 83 2HD ARG 83 -5.189 27.348 -6.436 698 HE ARG 83 HE ARG 83 -6.652 25.561 -4.817 699 HH11 ARG 83 1HH1 ARG 83 -5.071 28.687 -4.387 700 HH12 ARG 83 2HH1 ARG 83 -6.165 29.168 -3.119 701 HH21 ARG 83 1HH2 ARG 83 -8.002 26.237 -3.190 702 HH22 ARG 83 2HH2 ARG 83 -7.790 27.800 -2.449 703 H SER 84 H SER 84 -2.493 25.614 -9.707 704 HA SER 84 HA SER 84 -0.797 25.787 -11.263 705 HB2 SER 84 1HB SER 84 0.367 26.167 -9.028 706 HB3 SER 84 2HB SER 84 0.957 24.495 -9.147 707 HG SER 84 HG SER 84 2.097 25.020 -10.940 708 H ARG 85 H ARG 85 -2.358 23.535 -11.626 709 HA ARG 85 HA ARG 85 -2.515 21.605 -12.801 710 HB2 ARG 85 1HB ARG 85 0.381 22.070 -13.575 711 HB3 ARG 85 2HB ARG 85 -0.725 20.931 -14.333 712 HG2 ARG 85 1HG ARG 85 -2.105 22.721 -15.187 713 HG3 ARG 85 2HG ARG 85 -1.162 23.935 -14.295 714 HD2 ARG 85 1HD ARG 85 -0.461 23.864 -16.649 715 HD3 ARG 85 2HD ARG 85 0.851 23.341 -15.573 716 HE ARG 85 HE ARG 85 -0.643 21.063 -16.430 717 HH11 ARG 85 1HH1 ARG 85 1.702 23.376 -17.701 718 HH12 ARG 85 2HH1 ARG 85 2.324 22.241 -18.869 719 HH21 ARG 85 1HH2 ARG 85 0.206 19.670 -17.937 720 HH22 ARG 85 2HH2 ARG 85 1.490 20.181 -18.996 721 H GLN 86 H GLN 86 -0.985 21.584 -9.941 722 HA GLN 86 HA GLN 86 0.301 18.947 -10.169 723 HB2 GLN 86 1HB GLN 86 -0.445 20.635 -7.753 724 HB3 GLN 86 2HB GLN 86 0.493 19.141 -7.694 725 HG2 GLN 86 1HG GLN 86 2.255 20.184 -9.060 726 HG3 GLN 86 2HG GLN 86 1.327 21.691 -9.107 727 HE21 GLN 86 1HE2 GLN 86 3.460 20.652 -5.785 728 HE22 GLN 86 2HE2 GLN 86 3.221 19.519 -7.090 729 H LYS 87 H LYS 87 -2.749 19.540 -10.656 730 HA LYS 87 HA LYS 87 -4.257 18.393 -8.588 731 HB2 LYS 87 1HB LYS 87 -6.087 18.319 -10.097 732 HB3 LYS 87 2HB LYS 87 -5.166 19.789 -10.407 733 HG2 LYS 87 1HG LYS 87 -4.813 19.224 -12.552 734 HG3 LYS 87 2HG LYS 87 -4.234 17.613 -12.127 735 HD2 LYS 87 1HD LYS 87 -7.199 18.051 -11.926 736 HD3 LYS 87 2HD LYS 87 -6.501 18.077 -13.549 737 HE2 LYS 87 1HE LYS 87 -6.897 15.836 -13.443 738 HE3 LYS 87 2HE LYS 87 -5.304 15.830 -12.686 739 HZ1 LYS 87 1HZ LYS 87 -6.899 14.490 -11.485 740 HZ2 LYS 87 2HZ LYS 87 -7.882 15.794 -11.222 741 HZ3 LYS 87 3HZ LYS 87 -6.382 15.737 -10.526 742 H TYR 88 H TYR 88 -2.117 16.646 -10.473 743 HA TYR 88 HA TYR 88 -3.761 14.263 -10.693 744 HB2 TYR 88 1HB TYR 88 -1.924 13.251 -11.678 745 HB3 TYR 88 2HB TYR 88 -1.736 14.939 -12.153 746 HD1 TYR 88 HD1 TYR 88 -0.099 16.395 -10.605 747 HD2 TYR 88 HD2 TYR 88 -0.134 12.088 -10.704 748 HE1 TYR 88 HE1 TYR 88 2.220 16.342 -9.676 749 HE2 TYR 88 HE2 TYR 88 2.191 12.057 -9.800 750 HH TYR 88 HH TYR 88 4.027 13.305 -9.157 751 H ALA 89 H ALA 89 -2.121 15.844 -8.084 752 HA ALA 89 HA ALA 89 -1.018 13.501 -6.873 753 HB1 ALA 89 1HB ALA 89 -0.761 14.930 -4.891 754 HB2 ALA 89 2HB ALA 89 -0.304 15.818 -6.356 755 HB3 ALA 89 3HB ALA 89 -1.878 16.132 -5.582 756 H GLU 90 H GLU 90 -4.098 15.293 -5.955 757 HA GLU 90 HA GLU 90 -4.697 13.138 -4.071 758 HB2 GLU 90 1HB GLU 90 -6.448 15.377 -5.119 759 HB3 GLU 90 2HB GLU 90 -6.903 14.250 -3.841 760 HG2 GLU 90 1HG GLU 90 -4.578 16.221 -3.720 761 HG3 GLU 90 2HG GLU 90 -6.143 16.416 -2.925 762 H GLU 91 H GLU 91 -5.152 13.651 -7.459 763 HA GLU 91 HA GLU 91 -7.288 11.736 -7.819 764 HB2 GLU 91 1HB GLU 91 -6.459 13.345 -9.585 765 HB3 GLU 91 2HB GLU 91 -4.985 12.380 -9.698 766 HG2 GLU 91 1HG GLU 91 -6.446 10.395 -10.262 767 HG3 GLU 91 2HG GLU 91 -7.801 11.529 -10.394 768 H GLU 92 H GLU 92 -3.693 11.590 -7.585 769 HA GLU 92 HA GLU 92 -3.626 8.745 -8.078 770 HB2 GLU 92 1HB GLU 92 -1.606 10.671 -6.914 771 HB3 GLU 92 2HB GLU 92 -1.305 8.941 -7.030 772 HG2 GLU 92 1HG GLU 92 -2.078 10.565 -9.466 773 HG3 GLU 92 2HG GLU 92 -0.401 10.445 -8.917 774 H LEU 93 H LEU 93 -4.365 10.715 -5.302 775 HA LEU 93 HA LEU 93 -3.910 8.615 -3.349 776 HB2 LEU 93 1HB LEU 93 -4.062 11.059 -2.853 777 HB3 LEU 93 2HB LEU 93 -5.771 11.003 -3.199 778 HG LEU 93 HG LEU 93 -4.925 11.056 -0.765 779 HD11 LEU 93 1HD1 LEU 93 -6.913 9.885 0.007 780 HD12 LEU 93 2HD1 LEU 93 -7.078 9.072 -1.564 781 HD13 LEU 93 3HD1 LEU 93 -7.276 10.836 -1.449 782 HD21 LEU 93 1HD2 LEU 93 -3.395 9.076 -0.973 783 HD22 LEU 93 2HD2 LEU 93 -4.828 8.043 -1.151 784 HD23 LEU 93 3HD2 LEU 93 -4.570 8.954 0.351 785 H GLU 94 H GLU 94 -6.660 9.624 -5.438 786 HA GLU 94 HA GLU 94 -8.470 7.672 -4.272 787 HB2 GLU 94 1HB GLU 94 -9.166 9.658 -5.671 788 HB3 GLU 94 2HB GLU 94 -8.576 8.784 -7.095 789 HG2 GLU 94 1HG GLU 94 -10.157 6.949 -6.639 790 HG3 GLU 94 2HG GLU 94 -10.703 7.770 -5.169 791 H GLN 95 H GLN 95 -6.071 7.682 -6.915 792 HA GLN 95 HA GLN 95 -6.693 4.973 -7.749 793 HB2 GLN 95 1HB GLN 95 -4.233 6.688 -8.188 794 HB3 GLN 95 2HB GLN 95 -4.510 5.109 -8.937 795 HG2 GLN 95 1HG GLN 95 -6.613 5.997 -9.968 796 HG3 GLN 95 2HG GLN 95 -6.250 7.587 -9.303 797 HE21 GLN 95 1HE2 GLN 95 -4.509 8.483 -12.169 798 HE22 GLN 95 2HE2 GLN 95 -5.613 8.905 -10.894 799 H VAL 96 H VAL 96 -4.736 6.345 -5.157 800 HA VAL 96 HA VAL 96 -3.314 3.908 -4.454 801 HB VAL 96 HB VAL 96 -4.006 6.500 -3.064 802 HG11 VAL 96 1HG1 VAL 96 -3.141 4.014 -1.565 803 HG12 VAL 96 2HG1 VAL 96 -2.883 5.655 -0.948 804 HG13 VAL 96 3HG1 VAL 96 -4.528 5.069 -1.236 805 HG21 VAL 96 1HG2 VAL 96 -1.686 6.753 -2.828 806 HG22 VAL 96 2HG2 VAL 96 -1.385 5.054 -3.256 807 HG23 VAL 96 3HG2 VAL 96 -1.999 6.192 -4.472 808 H ARG 97 H ARG 97 -6.489 5.375 -3.642 809 HA ARG 97 HA ARG 97 -7.190 3.285 -1.823 810 HB2 ARG 97 1HB ARG 97 -8.425 5.461 -2.001 811 HB3 ARG 97 2HB ARG 97 -9.114 4.905 -3.528 812 HG2 ARG 97 1HG ARG 97 -10.752 4.525 -1.784 813 HG3 ARG 97 2HG ARG 97 -10.133 2.955 -2.316 814 HD2 ARG 97 1HD ARG 97 -8.487 3.081 -0.350 815 HD3 ARG 97 2HD ARG 97 -9.423 4.463 0.225 816 HE ARG 97 HE ARG 97 -11.167 3.021 0.835 817 HH11 ARG 97 1HH1 ARG 97 -8.751 1.148 -0.969 818 HH12 ARG 97 2HH1 ARG 97 -9.410 -0.376 -0.391 819 HH21 ARG 97 1HH2 ARG 97 -11.930 0.991 1.453 820 HH22 ARG 97 2HH2 ARG 97 -11.117 -0.460 0.883 821 H GLU 98 H GLU 98 -7.335 3.503 -5.392 822 HA GLU 98 HA GLU 98 -8.748 0.970 -5.589 823 HB2 GLU 98 1HB GLU 98 -8.822 2.486 -7.462 824 HB3 GLU 98 2HB GLU 98 -7.066 2.436 -7.633 825 HG2 GLU 98 1HG GLU 98 -8.252 1.026 -9.334 826 HG3 GLU 98 2HG GLU 98 -7.108 0.116 -8.345 827 H ALA 99 H ALA 99 -5.245 1.854 -5.547 828 HA ALA 99 HA ALA 99 -4.182 -0.744 -6.051 829 HB1 ALA 99 1HB ALA 99 -2.845 1.326 -5.831 830 HB2 ALA 99 2HB ALA 99 -3.146 1.297 -4.078 831 HB3 ALA 99 3HB ALA 99 -2.240 -0.024 -4.842 832 H LEU 100 H LEU 100 -5.191 0.830 -2.993 833 HA LEU 100 HA LEU 100 -4.843 -1.453 -1.310 834 HB2 LEU 100 1HB LEU 100 -6.622 0.990 -1.148 835 HB3 LEU 100 2HB LEU 100 -6.583 -0.225 0.128 836 HG LEU 100 HG LEU 100 -4.115 1.262 -0.797 837 HD11 LEU 100 1HD1 LEU 100 -5.706 2.911 -0.024 838 HD12 LEU 100 2HD1 LEU 100 -4.451 2.687 1.207 839 HD13 LEU 100 3HD1 LEU 100 -6.058 1.950 1.431 840 HD21 LEU 100 1HD2 LEU 100 -3.600 -0.773 0.401 841 HD22 LEU 100 2HD2 LEU 100 -4.794 -0.399 1.665 842 HD23 LEU 100 3HD2 LEU 100 -3.317 0.587 1.491 843 H ARG 101 H ARG 101 -7.689 -0.301 -3.161 844 HA ARG 101 HA ARG 101 -9.524 -2.230 -2.078 845 HB2 ARG 101 1HB ARG 101 -10.106 -0.130 -3.355 846 HB3 ARG 101 2HB ARG 101 -9.584 -0.940 -4.834 847 HG2 ARG 101 1HG ARG 101 -11.326 -2.662 -4.473 848 HG3 ARG 101 2HG ARG 101 -11.858 -1.805 -3.018 849 HD2 ARG 101 1HD ARG 101 -11.827 -0.628 -5.829 850 HD3 ARG 101 2HD ARG 101 -13.246 -1.322 -5.045 851 HE ARG 101 HE ARG 101 -13.185 0.473 -3.405 852 HH11 ARG 101 1HH1 ARG 101 -11.168 1.065 -6.280 853 HH12 ARG 101 2HH1 ARG 101 -11.219 2.797 -6.027 854 HH21 ARG 101 1HH2 ARG 101 -13.171 2.678 -3.197 855 HH22 ARG 101 2HH2 ARG 101 -12.311 3.677 -4.339 856 H LYS 102 H LYS 102 -7.220 -2.284 -4.777 857 HA LYS 102 HA LYS 102 -8.101 -4.782 -5.867 858 HB2 LYS 102 1HB LYS 102 -6.441 -2.963 -6.794 859 HB3 LYS 102 2HB LYS 102 -5.226 -3.883 -5.924 860 HG2 LYS 102 1HG LYS 102 -7.027 -4.939 -8.145 861 HG3 LYS 102 2HG LYS 102 -5.332 -4.469 -8.315 862 HD2 LYS 102 1HD LYS 102 -4.775 -6.290 -6.605 863 HD3 LYS 102 2HD LYS 102 -6.452 -6.840 -6.789 864 HE2 LYS 102 1HE LYS 102 -6.062 -7.039 -9.257 865 HE3 LYS 102 2HE LYS 102 -4.355 -6.635 -8.978 866 HZ1 LYS 102 1HZ LYS 102 -4.638 -9.012 -9.077 867 HZ2 LYS 102 2HZ LYS 102 -5.783 -8.995 -7.894 868 HZ3 LYS 102 3HZ LYS 102 -4.224 -8.617 -7.530 869 H ALA 103 H ALA 103 -5.559 -3.917 -3.451 870 HA ALA 103 HA ALA 103 -4.778 -6.615 -2.958 871 HB1 ALA 103 1HB ALA 103 -3.875 -5.725 -0.823 872 HB2 ALA 103 2HB ALA 103 -3.475 -4.661 -2.191 873 HB3 ALA 103 3HB ALA 103 -4.779 -4.214 -1.067 874 H GLU 104 H GLU 104 -7.286 -4.584 -1.412 875 HA GLU 104 HA GLU 104 -8.052 -6.423 0.606 876 HB2 GLU 104 1HB GLU 104 -9.520 -4.216 -0.858 877 HB3 GLU 104 2HB GLU 104 -10.280 -5.126 0.452 878 HG2 GLU 104 1HG GLU 104 -8.812 -4.263 2.094 879 HG3 GLU 104 2HG GLU 104 -7.595 -3.795 0.906 880 H LYS 105 H LYS 105 -9.571 -5.945 -2.667 881 HA LYS 105 HA LYS 105 -11.354 -8.179 -2.192 882 HB2 LYS 105 1HB LYS 105 -12.154 -7.868 -4.406 883 HB3 LYS 105 2HB LYS 105 -11.871 -6.282 -3.690 884 HG2 LYS 105 1HG LYS 105 -9.575 -6.410 -4.950 885 HG3 LYS 105 2HG LYS 105 -10.382 -7.651 -5.924 886 HD2 LYS 105 1HD LYS 105 -12.225 -6.024 -6.392 887 HD3 LYS 105 2HD LYS 105 -11.363 -4.808 -5.431 888 HE2 LYS 105 1HE LYS 105 -9.379 -5.443 -7.124 889 HE3 LYS 105 2HE LYS 105 -10.748 -5.862 -8.167 890 HZ1 LYS 105 1HZ LYS 105 -10.407 -3.235 -6.814 891 HZ2 LYS 105 2HZ LYS 105 -11.587 -3.621 -7.898 892 HZ3 LYS 105 3HZ LYS 105 -10.011 -3.508 -8.379 893 H GLU 106 H GLU 106 -8.100 -7.949 -3.390 894 HA GLU 106 HA GLU 106 -8.065 -10.540 -4.698 895 HB2 GLU 106 1HB GLU 106 -6.390 -8.777 -5.129 896 HB3 GLU 106 2HB GLU 106 -5.858 -8.854 -3.450 897 HG2 GLU 106 1HG GLU 106 -5.091 -11.113 -3.784 898 HG3 GLU 106 2HG GLU 106 -5.651 -11.074 -5.466 899 H LEU 107 H LEU 107 -7.257 -9.277 -1.414 900 HA LEU 107 HA LEU 107 -6.585 -11.882 -0.393 901 HB2 LEU 107 1HB LEU 107 -7.373 -9.268 0.877 902 HB3 LEU 107 2HB LEU 107 -7.128 -10.725 1.851 903 HG LEU 107 HG LEU 107 -5.025 -9.683 -0.075 904 HD11 LEU 107 1HD1 LEU 107 -5.523 -7.942 1.511 905 HD12 LEU 107 2HD1 LEU 107 -3.967 -8.692 1.920 906 HD13 LEU 107 3HD1 LEU 107 -5.422 -9.099 2.862 907 HD21 LEU 107 1HD2 LEU 107 -4.673 -12.013 0.584 908 HD22 LEU 107 2HD2 LEU 107 -4.925 -11.612 2.294 909 HD23 LEU 107 3HD2 LEU 107 -3.493 -11.001 1.432 910 H GLU 108 H GLU 108 -9.698 -10.140 -0.687 911 HA GLU 108 HA GLU 108 -11.220 -11.991 0.893 912 HB2 GLU 108 1HB GLU 108 -11.956 -10.353 -1.554 913 HB3 GLU 108 2HB GLU 108 -13.117 -11.362 -0.691 914 HG2 GLU 108 1HG GLU 108 -12.760 -10.059 1.361 915 HG3 GLU 108 2HG GLU 108 -11.583 -9.043 0.525 916 H SER 109 H SER 109 -10.312 -11.966 -2.592 917 HA SER 109 HA SER 109 -11.611 -14.427 -3.212 918 HB2 SER 109 1HB SER 109 -10.419 -14.411 -5.270 919 HB3 SER 109 2HB SER 109 -10.842 -12.737 -4.879 920 HG SER 109 HG SER 109 -8.536 -12.848 -3.872 921 H HIS 110 H HIS 110 -8.425 -13.793 -1.774 922 HA HIS 110 HA HIS 110 -7.514 -16.548 -2.167 923 HB2 HIS 110 1HB HIS 110 -6.576 -14.352 -0.273 924 HB3 HIS 110 2HB HIS 110 -5.776 -15.912 -0.489 925 HD1 HIS 110 HD1 HIS 110 -6.019 -15.963 -3.708 926 HD2 HIS 110 HD2 HIS 110 -4.541 -12.857 -1.327 927 HE1 HIS 110 HE1 HIS 110 -4.458 -14.601 -5.143 928 H SER 111 H SER 111 -9.553 -14.869 0.103 929 HA SER 111 HA SER 111 -9.279 -17.094 2.092 930 HB2 SER 111 1HB SER 111 -10.510 -15.476 3.571 931 HB3 SER 111 2HB SER 111 -8.959 -14.836 2.978 932 HG SER 111 HG SER 111 -9.993 -13.547 1.560 933 H SER 112 H SER 112 -11.051 -16.441 -0.590 934 HA SER 112 HA SER 112 -13.749 -16.756 0.324 935 HB2 SER 112 1HB SER 112 -12.451 -17.351 -2.351 936 HB3 SER 112 2HB SER 112 -14.204 -17.363 -2.054 937 HG SER 112 HG SER 112 -12.675 -15.110 -1.293 938 H TRP 113 H TRP 113 -11.267 -18.979 0.486 939 HA TRP 113 HA TRP 113 -11.166 -21.160 1.079 940 HB2 TRP 113 1HB TRP 113 -12.918 -20.234 2.669 941 HB3 TRP 113 2HB TRP 113 -14.137 -21.014 1.671 942 HD1 TRP 113 HD1 TRP 113 -13.888 -23.787 1.511 943 HE1 TRP 113 HE1 TRP 113 -13.150 -25.495 3.200 944 HE3 TRP 113 HE3 TRP 113 -11.474 -20.578 4.667 945 HZ2 TRP 113 HZ2 TRP 113 -11.684 -25.489 5.677 946 HZ3 TRP 113 HZ3 TRP 113 -10.414 -21.509 6.739 947 HH2 TRP 113 HH2 TRP 113 -10.513 -23.952 7.220 948 H TYR 114 H TYR 114 -14.493 -21.767 0.083 949 HA TYR 114 HA TYR 114 -15.393 -23.156 -1.471 950 HB2 TYR 114 1HB TYR 114 -14.227 -21.164 -2.768 951 HB3 TYR 114 2HB TYR 114 -13.255 -22.467 -3.452 952 HD1 TYR 114 HD1 TYR 114 -14.194 -23.947 -5.137 953 HD2 TYR 114 HD2 TYR 114 -16.735 -21.162 -3.061 954 HE1 TYR 114 HE1 TYR 114 -16.039 -24.416 -6.754 955 HE2 TYR 114 HE2 TYR 114 -18.572 -21.639 -4.685 956 HH TYR 114 HH TYR 114 -19.220 -22.813 -6.527 957 H ALA 115 H ALA 115 -13.235 -24.441 0.198 958 HA ALA 115 HA ALA 115 -12.941 -26.846 -1.494 959 HB1 ALA 115 1HB ALA 115 -10.632 -25.511 0.001 960 HB2 ALA 115 2HB ALA 115 -10.563 -27.093 -0.818 961 HB3 ALA 115 3HB ALA 115 -10.822 -25.614 -1.761 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 13.046 34.141 -1.515 2 H2 GLY 1 2H GLY 1 14.246 34.969 -0.747 3 H3 GLY 1 3H GLY 1 13.319 35.727 -1.882 4 HA2 GLY 1 1HA GLY 1 12.650 36.423 0.303 5 HA3 GLY 1 2HA GLY 1 11.363 35.511 -0.513 6 H SER 2 H SER 2 10.570 35.120 1.781 7 HA SER 2 HA SER 2 12.110 33.517 3.571 8 HB2 SER 2 1HB SER 2 9.087 33.504 3.195 9 HB3 SER 2 2HB SER 2 9.989 33.077 4.667 10 HG SER 2 HG SER 2 9.299 35.178 4.901 11 HA PRO 3 HA PRO 3 12.071 29.895 1.125 12 HB2 PRO 3 1HB PRO 3 12.388 27.863 2.948 13 HB3 PRO 3 2HB PRO 3 13.705 28.992 2.490 14 HG2 PRO 3 1HG PRO 3 11.847 29.127 4.840 15 HG3 PRO 3 2HG PRO 3 13.632 29.239 4.813 16 HD2 PRO 3 1HD PRO 3 12.095 31.438 4.916 17 HD3 PRO 3 2HD PRO 3 13.583 31.403 3.904 18 H GLU 4 H GLU 4 10.747 28.484 0.247 19 HA GLU 4 HA GLU 4 7.966 28.657 0.879 20 HB2 GLU 4 1HB GLU 4 7.922 26.582 -0.760 21 HB3 GLU 4 2HB GLU 4 8.209 28.220 -1.341 22 HG2 GLU 4 1HG GLU 4 10.468 26.300 -0.690 23 HG3 GLU 4 2HG GLU 4 9.705 26.383 -2.287 24 H PHE 5 H PHE 5 10.428 26.265 1.747 25 HA PHE 5 HA PHE 5 8.605 24.227 2.562 26 HB2 PHE 5 1HB PHE 5 11.385 24.896 3.595 27 HB3 PHE 5 2HB PHE 5 10.504 23.400 3.934 28 HD1 PHE 5 HD1 PHE 5 12.580 25.189 1.532 29 HD2 PHE 5 HD2 PHE 5 9.931 21.832 2.042 30 HE1 PHE 5 HE1 PHE 5 13.449 24.191 -0.577 31 HE2 PHE 5 HE2 PHE 5 10.797 20.823 -0.064 32 HZ PHE 5 HZ PHE 5 12.555 22.005 -1.382 33 H ASN 6 H ASN 6 9.885 27.098 4.247 34 HA ASN 6 HA ASN 6 8.570 26.333 6.746 35 HB2 ASN 6 1HB ASN 6 9.884 28.922 5.865 36 HB3 ASN 6 2HB ASN 6 9.184 28.643 7.464 37 HD21 ASN 6 1HD2 ASN 6 12.055 27.191 8.712 38 HD22 ASN 6 2HD2 ASN 6 10.548 28.031 8.983 39 H ARG 7 H ARG 7 8.005 28.508 3.994 40 HA ARG 7 HA ARG 7 5.748 29.905 5.008 41 HB2 ARG 7 1HB ARG 7 7.043 30.433 2.930 42 HB3 ARG 7 2HB ARG 7 6.321 29.017 2.159 43 HG2 ARG 7 1HG ARG 7 4.082 30.024 2.414 44 HG3 ARG 7 2HG ARG 7 4.834 31.477 3.110 45 HD2 ARG 7 1HD ARG 7 6.103 31.833 1.051 46 HD3 ARG 7 2HD ARG 7 5.477 30.313 0.379 47 HE ARG 7 HE ARG 7 3.288 31.982 1.102 48 HH11 ARG 7 1HH1 ARG 7 5.808 31.783 -1.361 49 HH12 ARG 7 2HH1 ARG 7 4.850 32.630 -2.544 50 HH21 ARG 7 1HH2 ARG 7 2.119 33.046 -0.463 51 HH22 ARG 7 2HH2 ARG 7 2.793 33.321 -2.044 52 H TYR 8 H TYR 8 5.970 26.767 3.340 53 HA TYR 8 HA TYR 8 3.017 26.457 3.585 54 HB2 TYR 8 1HB TYR 8 5.032 24.808 2.026 55 HB3 TYR 8 2HB TYR 8 3.273 24.703 1.924 56 HD1 TYR 8 HD1 TYR 8 2.518 27.628 1.778 57 HD2 TYR 8 HD2 TYR 8 5.709 25.463 -0.139 58 HE1 TYR 8 HE1 TYR 8 2.521 29.271 -0.090 59 HE2 TYR 8 HE2 TYR 8 5.707 27.124 -1.997 60 HH TYR 8 HH TYR 8 4.715 28.958 -2.892 61 H SER 9 H SER 9 5.244 26.013 5.752 62 HA SER 9 HA SER 9 5.570 23.254 6.194 63 HB2 SER 9 1HB SER 9 5.352 25.570 8.135 64 HB3 SER 9 2HB SER 9 5.660 23.905 8.667 65 HG SER 9 HG SER 9 7.274 24.627 6.590 66 H LYS 10 H LYS 10 2.703 25.248 6.949 67 HA LYS 10 HA LYS 10 1.548 23.389 8.757 68 HB2 LYS 10 1HB LYS 10 -0.647 24.457 8.086 69 HB3 LYS 10 2HB LYS 10 0.600 25.539 8.710 70 HG2 LYS 10 1HG LYS 10 1.134 26.301 6.431 71 HG3 LYS 10 2HG LYS 10 -0.068 25.184 5.772 72 HD2 LYS 10 1HD LYS 10 -1.845 26.351 7.032 73 HD3 LYS 10 2HD LYS 10 -0.634 27.496 7.645 74 HE2 LYS 10 1HE LYS 10 -1.773 28.502 5.747 75 HE3 LYS 10 2HE LYS 10 -0.097 28.137 5.287 76 HZ1 LYS 10 1HZ LYS 10 -0.878 26.151 4.177 77 HZ2 LYS 10 2HZ LYS 10 -1.632 27.472 3.563 78 HZ3 LYS 10 3HZ LYS 10 -2.449 26.470 4.597 79 H GLU 11 H GLU 11 0.894 23.651 5.190 80 HA GLU 11 HA GLU 11 -0.750 21.255 5.358 81 HB2 GLU 11 1HB GLU 11 0.303 22.838 3.004 82 HB3 GLU 11 2HB GLU 11 -0.784 21.455 2.859 83 HG2 GLU 11 1HG GLU 11 -1.481 23.942 4.464 84 HG3 GLU 11 2HG GLU 11 -1.878 23.745 2.753 85 H HIS 12 H HIS 12 2.603 22.016 4.394 86 HA HIS 12 HA HIS 12 3.065 19.440 3.211 87 HB2 HIS 12 1HB HIS 12 4.498 21.469 2.898 88 HB3 HIS 12 2HB HIS 12 5.097 21.258 4.549 89 HD1 HIS 12 HD1 HIS 12 4.835 19.022 1.384 90 HD2 HIS 12 HD2 HIS 12 7.399 19.877 4.573 91 HE1 HIS 12 HE1 HIS 12 6.890 17.610 1.073 92 H MET 13 H MET 13 3.477 20.671 6.593 93 HA MET 13 HA MET 13 4.578 18.167 7.522 94 HB2 MET 13 1HB MET 13 4.780 20.336 8.738 95 HB3 MET 13 2HB MET 13 3.055 20.251 9.119 96 HG2 MET 13 1HG MET 13 3.431 18.153 10.356 97 HG3 MET 13 2HG MET 13 5.157 18.229 9.969 98 HE1 MET 13 1HE MET 13 6.480 21.176 12.132 99 HE2 MET 13 2HE MET 13 6.892 19.783 11.106 100 HE3 MET 13 3HE MET 13 6.098 21.209 10.395 101 H LYS 14 H LYS 14 1.249 19.492 7.291 102 HA LYS 14 HA LYS 14 -0.101 17.379 8.637 103 HB2 LYS 14 1HB LYS 14 -1.217 19.440 7.831 104 HB3 LYS 14 2HB LYS 14 -0.903 18.961 6.170 105 HG2 LYS 14 1HG LYS 14 -2.357 16.917 6.558 106 HG3 LYS 14 2HG LYS 14 -2.791 17.626 8.124 107 HD2 LYS 14 1HD LYS 14 -4.524 18.293 6.648 108 HD3 LYS 14 2HD LYS 14 -3.484 19.723 6.796 109 HE2 LYS 14 1HE LYS 14 -2.350 19.057 4.644 110 HE3 LYS 14 2HE LYS 14 -3.499 17.711 4.494 111 HZ1 LYS 14 1HZ LYS 14 -4.169 20.607 4.540 112 HZ2 LYS 14 2HZ LYS 14 -5.286 19.387 4.469 113 HZ3 LYS 14 3HZ LYS 14 -4.231 19.620 3.223 114 H LYS 15 H LYS 15 0.849 17.722 5.205 115 HA LYS 15 HA LYS 15 -0.086 15.165 4.357 116 HB2 LYS 15 1HB LYS 15 1.376 17.397 3.274 117 HB3 LYS 15 2HB LYS 15 2.252 15.927 2.883 118 HG2 LYS 15 1HG LYS 15 0.749 16.459 1.086 119 HG3 LYS 15 2HG LYS 15 0.219 14.987 1.864 120 HD2 LYS 15 1HD LYS 15 -1.466 16.416 3.165 121 HD3 LYS 15 2HD LYS 15 -1.000 17.755 2.097 122 HE2 LYS 15 1HE LYS 15 -2.903 16.835 1.037 123 HE3 LYS 15 2HE LYS 15 -1.550 16.110 0.149 124 HZ1 LYS 15 1HZ LYS 15 -1.811 14.113 1.505 125 HZ2 LYS 15 2HZ LYS 15 -3.249 14.479 0.749 126 HZ3 LYS 15 3HZ LYS 15 -3.042 14.799 2.351 127 H MET 16 H MET 16 3.260 16.186 5.293 128 HA MET 16 HA MET 16 4.434 13.646 4.992 129 HB2 MET 16 1HB MET 16 5.027 15.838 7.010 130 HB3 MET 16 2HB MET 16 6.006 14.378 6.837 131 HG2 MET 16 1HG MET 16 6.337 14.989 4.427 132 HG3 MET 16 2HG MET 16 5.607 16.556 4.786 133 HE1 MET 16 1HE MET 16 8.185 18.251 7.157 134 HE2 MET 16 2HE MET 16 6.650 18.384 6.268 135 HE3 MET 16 3HE MET 16 6.754 17.357 7.719 136 H MET 17 H MET 17 3.014 15.008 8.029 137 HA MET 17 HA MET 17 3.652 12.684 9.535 138 HB2 MET 17 1HB MET 17 1.473 14.756 9.956 139 HB3 MET 17 2HB MET 17 1.946 13.540 11.150 140 HG2 MET 17 1HG MET 17 3.795 15.675 10.024 141 HG3 MET 17 2HG MET 17 2.949 15.775 11.572 142 HE1 MET 17 1HE MET 17 6.143 16.143 11.281 143 HE2 MET 17 2HE MET 17 5.243 16.263 12.813 144 HE3 MET 17 3HE MET 17 6.674 15.211 12.701 145 H LYS 18 H LYS 18 0.538 13.534 7.872 146 HA LYS 18 HA LYS 18 -0.593 11.026 8.875 147 HB2 LYS 18 1HB LYS 18 -1.799 13.284 8.399 148 HB3 LYS 18 2HB LYS 18 -1.842 12.722 6.721 149 HG2 LYS 18 1HG LYS 18 -3.813 11.785 7.374 150 HG3 LYS 18 2HG LYS 18 -2.761 10.500 7.993 151 HD2 LYS 18 1HD LYS 18 -2.667 11.821 10.185 152 HD3 LYS 18 2HD LYS 18 -3.982 12.814 9.519 153 HE2 LYS 18 1HE LYS 18 -5.237 11.240 10.619 154 HE3 LYS 18 2HE LYS 18 -5.064 10.412 9.058 155 HZ1 LYS 18 1HZ LYS 18 -3.300 9.952 11.406 156 HZ2 LYS 18 2HZ LYS 18 -3.242 9.130 9.990 157 HZ3 LYS 18 3HZ LYS 18 -4.551 8.972 10.972 158 H ASP 19 H ASP 19 0.790 12.116 5.751 159 HA ASP 19 HA ASP 19 -0.277 9.658 4.542 160 HB2 ASP 19 1HB ASP 19 1.348 11.869 3.304 161 HB3 ASP 19 2HB ASP 19 0.622 10.508 2.448 162 H LEU 20 H LEU 20 2.775 10.645 6.030 163 HA LEU 20 HA LEU 20 4.097 8.313 4.780 164 HB2 LEU 20 1HB LEU 20 4.981 10.083 7.066 165 HB3 LEU 20 2HB LEU 20 5.893 8.703 6.459 166 HG LEU 20 HG LEU 20 5.127 11.128 4.789 167 HD11 LEU 20 1HD1 LEU 20 7.512 11.697 4.932 168 HD12 LEU 20 2HD1 LEU 20 7.791 10.306 6.003 169 HD13 LEU 20 3HD1 LEU 20 6.767 11.659 6.542 170 HD21 LEU 20 1HD2 LEU 20 6.756 8.623 4.184 171 HD22 LEU 20 2HD2 LEU 20 6.883 10.107 3.218 172 HD23 LEU 20 3HD2 LEU 20 5.334 9.246 3.304 173 H GLU 21 H GLU 21 2.135 9.072 7.561 174 HA GLU 21 HA GLU 21 2.559 6.582 8.967 175 HB2 GLU 21 1HB GLU 21 1.390 8.491 9.975 176 HB3 GLU 21 2HB GLU 21 0.188 8.450 8.699 177 HG2 GLU 21 1HG GLU 21 -0.411 6.123 9.517 178 HG3 GLU 21 2HG GLU 21 0.532 6.532 10.964 179 H GLY 22 H GLY 22 0.440 7.755 6.330 180 HA2 GLY 22 1HA GLY 22 -0.889 5.288 5.816 181 HA3 GLY 22 2HA GLY 22 -0.667 6.617 4.664 182 H LEU 23 H LEU 23 2.232 6.609 4.627 183 HA LEU 23 HA LEU 23 2.709 4.523 2.718 184 HB2 LEU 23 1HB LEU 23 3.866 6.844 3.227 185 HB3 LEU 23 2HB LEU 23 4.962 5.859 4.191 186 HG LEU 23 HG LEU 23 4.355 5.328 1.260 187 HD11 LEU 23 1HD1 LEU 23 5.268 7.595 1.523 188 HD12 LEU 23 2HD1 LEU 23 6.407 6.510 0.707 189 HD13 LEU 23 3HD1 LEU 23 6.660 6.932 2.418 190 HD21 LEU 23 1HD2 LEU 23 5.378 3.406 2.311 191 HD22 LEU 23 2HD2 LEU 23 6.561 4.418 3.170 192 HD23 LEU 23 3HD2 LEU 23 6.662 4.227 1.407 193 H HIS 24 H HIS 24 3.465 4.857 6.208 194 HA HIS 24 HA HIS 24 4.817 2.316 6.354 195 HB2 HIS 24 1HB HIS 24 4.842 4.183 8.093 196 HB3 HIS 24 2HB HIS 24 3.256 3.594 8.613 197 HD1 HIS 24 HD1 HIS 24 6.602 1.823 7.764 198 HD2 HIS 24 HD2 HIS 24 3.655 1.951 10.768 199 HE1 HIS 24 HE1 HIS 24 7.269 0.127 9.539 200 H ARG 25 H ARG 25 1.408 3.315 6.373 201 HA ARG 25 HA ARG 25 0.445 0.642 7.003 202 HB2 ARG 25 1HB ARG 25 -0.707 3.191 6.641 203 HB3 ARG 25 2HB ARG 25 -1.399 2.175 5.377 204 HG2 ARG 25 1HG ARG 25 -1.384 0.739 7.901 205 HG3 ARG 25 2HG ARG 25 -2.120 2.330 8.116 206 HD2 ARG 25 1HD ARG 25 -3.939 1.006 7.541 207 HD3 ARG 25 2HD ARG 25 -3.517 1.758 6.001 208 HE ARG 25 HE ARG 25 -3.023 -1.076 6.806 209 HH11 ARG 25 1HH1 ARG 25 -3.074 1.325 4.199 210 HH12 ARG 25 2HH1 ARG 25 -2.941 0.114 2.956 211 HH21 ARG 25 1HH2 ARG 25 -2.897 -2.573 5.168 212 HH22 ARG 25 2HH2 ARG 25 -2.881 -2.036 3.504 213 H ALA 26 H ALA 26 1.641 2.178 4.034 214 HA ALA 26 HA ALA 26 0.500 0.144 2.294 215 HB1 ALA 26 1HB ALA 26 2.053 0.977 0.611 216 HB2 ALA 26 2HB ALA 26 1.262 2.335 1.434 217 HB3 ALA 26 3HB ALA 26 2.941 1.908 1.836 218 H GLU 27 H GLU 27 3.508 0.509 4.233 219 HA GLU 27 HA GLU 27 4.737 -1.934 3.296 220 HB2 GLU 27 1HB GLU 27 4.787 -0.744 6.091 221 HB3 GLU 27 2HB GLU 27 5.835 -2.033 5.522 222 HG2 GLU 27 1HG GLU 27 6.957 -0.543 4.007 223 HG3 GLU 27 2HG GLU 27 5.784 0.748 4.332 224 H GLN 28 H GLN 28 2.395 -1.124 5.853 225 HA GLN 28 HA GLN 28 1.969 -3.774 6.767 226 HB2 GLN 28 1HB GLN 28 1.092 -1.572 7.803 227 HB3 GLN 28 2HB GLN 28 -0.236 -1.723 6.648 228 HG2 GLN 28 1HG GLN 28 -0.464 -4.140 7.603 229 HG3 GLN 28 2HG GLN 28 0.459 -3.504 8.965 230 HE21 GLN 28 1HE2 GLN 28 -3.396 -3.094 9.082 231 HE22 GLN 28 2HE2 GLN 28 -2.466 -4.362 8.297 232 H SER 29 H SER 29 0.622 -2.007 3.903 233 HA SER 29 HA SER 29 -1.321 -4.021 3.352 234 HB2 SER 29 1HB SER 29 -1.654 -3.049 1.252 235 HB3 SER 29 2HB SER 29 -1.175 -1.694 2.290 236 HG SER 29 HG SER 29 0.960 -1.935 1.429 237 H LEU 30 H LEU 30 2.127 -3.769 2.286 238 HA LEU 30 HA LEU 30 2.098 -6.169 0.619 239 HB2 LEU 30 1HB LEU 30 4.273 -5.811 0.421 240 HB3 LEU 30 2HB LEU 30 3.879 -4.264 1.097 241 HG LEU 30 HG LEU 30 4.725 -5.393 3.348 242 HD11 LEU 30 1HD1 LEU 30 6.332 -6.810 1.236 243 HD12 LEU 30 2HD1 LEU 30 5.110 -7.572 2.265 244 HD13 LEU 30 3HD1 LEU 30 6.562 -6.874 2.992 245 HD21 LEU 30 1HD2 LEU 30 6.617 -4.424 1.181 246 HD22 LEU 30 2HD2 LEU 30 6.861 -4.345 2.940 247 HD23 LEU 30 3HD2 LEU 30 5.602 -3.364 2.172 248 H HIS 31 H HIS 31 2.662 -5.561 4.161 249 HA HIS 31 HA HIS 31 3.017 -8.375 4.694 250 HB2 HIS 31 1HB HIS 31 2.347 -6.113 6.565 251 HB3 HIS 31 2HB HIS 31 2.754 -7.761 7.065 252 HD1 HIS 31 HD1 HIS 31 5.156 -8.437 5.257 253 HD2 HIS 31 HD2 HIS 31 4.635 -4.697 7.109 254 HE1 HIS 31 HE1 HIS 31 7.459 -7.359 5.441 255 H ASP 32 H ASP 32 0.115 -6.341 4.735 256 HA ASP 32 HA ASP 32 -1.615 -8.261 5.987 257 HB2 ASP 32 1HB ASP 32 -2.180 -6.036 3.961 258 HB3 ASP 32 2HB ASP 32 -3.439 -7.003 4.737 259 H LEU 33 H LEU 33 -0.543 -7.543 2.663 260 HA LEU 33 HA LEU 33 -2.249 -9.390 1.354 261 HB2 LEU 33 1HB LEU 33 0.338 -8.001 0.675 262 HB3 LEU 33 2HB LEU 33 -0.135 -9.381 -0.310 263 HG LEU 33 HG LEU 33 -2.193 -7.263 0.239 264 HD11 LEU 33 1HD1 LEU 33 -0.502 -5.779 -0.440 265 HD12 LEU 33 2HD1 LEU 33 -1.357 -6.137 -1.947 266 HD13 LEU 33 3HD1 LEU 33 0.193 -6.921 -1.595 267 HD21 LEU 33 1HD2 LEU 33 -2.757 -9.373 -0.965 268 HD22 LEU 33 2HD2 LEU 33 -1.582 -8.953 -2.225 269 HD23 LEU 33 3HD2 LEU 33 -3.011 -7.933 -1.964 270 H GLN 34 H GLN 34 1.240 -9.862 2.365 271 HA GLN 34 HA GLN 34 0.975 -12.660 1.701 272 HB2 GLN 34 1HB GLN 34 3.021 -13.036 3.094 273 HB3 GLN 34 2HB GLN 34 3.170 -11.953 1.736 274 HG2 GLN 34 1HG GLN 34 2.495 -10.366 4.012 275 HG3 GLN 34 2HG GLN 34 3.712 -11.510 4.545 276 HE21 GLN 34 1HE2 GLN 34 5.122 -9.409 1.344 277 HE22 GLN 34 2HE2 GLN 34 3.717 -10.441 1.184 278 H GLU 35 H GLU 35 0.484 -11.002 4.878 279 HA GLU 35 HA GLU 35 0.314 -13.494 6.313 280 HB2 GLU 35 1HB GLU 35 -0.685 -10.701 6.902 281 HB3 GLU 35 2HB GLU 35 -1.085 -12.069 7.936 282 HG2 GLU 35 1HG GLU 35 1.363 -12.538 8.184 283 HG3 GLU 35 2HG GLU 35 1.686 -11.012 7.341 284 H ARG 36 H ARG 36 -2.224 -11.416 4.780 285 HA ARG 36 HA ARG 36 -4.315 -13.187 5.764 286 HB2 ARG 36 1HB ARG 36 -4.316 -11.096 3.571 287 HB3 ARG 36 2HB ARG 36 -5.740 -12.032 4.040 288 HG2 ARG 36 1HG ARG 36 -5.717 -11.111 6.275 289 HG3 ARG 36 2HG ARG 36 -4.159 -10.316 5.990 290 HD2 ARG 36 1HD ARG 36 -5.924 -8.675 5.830 291 HD3 ARG 36 2HD ARG 36 -5.194 -8.923 4.234 292 HE ARG 36 HE ARG 36 -7.461 -10.643 4.542 293 HH11 ARG 36 1HH1 ARG 36 -6.715 -7.236 4.017 294 HH12 ARG 36 2HH1 ARG 36 -8.218 -6.936 3.164 295 HH21 ARG 36 1HH2 ARG 36 -9.363 -10.177 3.465 296 HH22 ARG 36 2HH2 ARG 36 -9.673 -8.558 2.862 297 H LEU 37 H LEU 37 -2.176 -13.179 2.936 298 HA LEU 37 HA LEU 37 -3.707 -15.209 1.535 299 HB2 LEU 37 1HB LEU 37 -1.947 -13.761 0.527 300 HB3 LEU 37 2HB LEU 37 -0.734 -14.595 1.488 301 HG LEU 37 HG LEU 37 -1.260 -16.707 0.284 302 HD11 LEU 37 1HD1 LEU 37 -2.538 -16.422 -1.892 303 HD12 LEU 37 2HD1 LEU 37 -3.099 -14.856 -1.268 304 HD13 LEU 37 3HD1 LEU 37 -3.528 -16.363 -0.423 305 HD21 LEU 37 1HD2 LEU 37 -0.488 -14.241 -1.302 306 HD22 LEU 37 2HD2 LEU 37 -0.244 -15.914 -1.853 307 HD23 LEU 37 3HD2 LEU 37 0.584 -15.328 -0.397 308 H HIS 38 H HIS 38 -0.912 -15.267 3.798 309 HA HIS 38 HA HIS 38 -0.629 -18.098 3.782 310 HB2 HIS 38 1HB HIS 38 0.975 -16.339 4.713 311 HB3 HIS 38 2HB HIS 38 -0.034 -16.331 6.166 312 HD1 HIS 38 HD1 HIS 38 0.990 -19.430 4.129 313 HD2 HIS 38 HD2 HIS 38 1.602 -17.684 7.878 314 HE1 HIS 38 HE1 HIS 38 2.309 -21.082 5.516 315 H LYS 39 H LYS 39 -2.713 -15.926 5.713 316 HA LYS 39 HA LYS 39 -3.787 -18.134 7.294 317 HB2 LYS 39 1HB LYS 39 -4.694 -15.284 6.849 318 HB3 LYS 39 2HB LYS 39 -5.510 -16.412 7.946 319 HG2 LYS 39 1HG LYS 39 -3.654 -16.533 9.409 320 HG3 LYS 39 2HG LYS 39 -2.542 -15.910 8.185 321 HD2 LYS 39 1HD LYS 39 -3.816 -13.722 8.284 322 HD3 LYS 39 2HD LYS 39 -4.601 -14.354 9.752 323 HE2 LYS 39 1HE LYS 39 -2.392 -14.677 10.802 324 HE3 LYS 39 2HE LYS 39 -1.589 -14.182 9.301 325 HZ1 LYS 39 1HZ LYS 39 -1.558 -12.303 10.652 326 HZ2 LYS 39 2HZ LYS 39 -3.131 -12.483 11.145 327 HZ3 LYS 39 3HZ LYS 39 -2.790 -12.006 9.603 328 H ALA 40 H ALA 40 -4.531 -16.675 4.169 329 HA ALA 40 HA ALA 40 -7.109 -17.935 3.881 330 HB1 ALA 40 1HB ALA 40 -6.877 -17.507 1.496 331 HB2 ALA 40 2HB ALA 40 -6.346 -16.068 2.389 332 HB3 ALA 40 3HB ALA 40 -5.147 -17.172 1.675 333 H GLN 41 H GLN 41 -3.679 -18.964 3.557 334 HA GLN 41 HA GLN 41 -4.604 -21.604 2.589 335 HB2 GLN 41 1HB GLN 41 -1.995 -20.817 3.945 336 HB3 GLN 41 2HB GLN 41 -2.335 -22.384 3.229 337 HG2 GLN 41 1HG GLN 41 -2.427 -21.410 1.025 338 HG3 GLN 41 2HG GLN 41 -2.273 -19.778 1.694 339 HE21 GLN 41 1HE2 GLN 41 1.013 -21.999 0.997 340 HE22 GLN 41 2HE2 GLN 41 -0.590 -22.502 0.528 341 H GLU 42 H GLU 42 -3.142 -20.443 5.680 342 HA GLU 42 HA GLU 42 -3.299 -22.762 7.134 343 HB2 GLU 42 1HB GLU 42 -2.187 -20.597 7.724 344 HB3 GLU 42 2HB GLU 42 -3.758 -19.971 8.226 345 HG2 GLU 42 1HG GLU 42 -3.899 -21.714 9.966 346 HG3 GLU 42 2HG GLU 42 -2.323 -22.343 9.453 347 H GLU 43 H GLU 43 -5.844 -20.241 7.189 348 HA GLU 43 HA GLU 43 -7.537 -22.107 8.744 349 HB2 GLU 43 1HB GLU 43 -8.002 -19.249 7.841 350 HB3 GLU 43 2HB GLU 43 -9.027 -20.151 8.953 351 HG2 GLU 43 1HG GLU 43 -7.229 -20.181 10.613 352 HG3 GLU 43 2HG GLU 43 -6.129 -19.383 9.472 353 H HIS 44 H HIS 44 -7.377 -20.442 5.576 354 HA HIS 44 HA HIS 44 -10.139 -21.369 5.080 355 HB2 HIS 44 1HB HIS 44 -8.542 -19.357 3.519 356 HB3 HIS 44 2HB HIS 44 -10.213 -19.789 3.232 357 HD1 HIS 44 HD1 HIS 44 -8.037 -18.142 5.941 358 HD2 HIS 44 HD2 HIS 44 -12.022 -18.449 4.739 359 HE1 HIS 44 HE1 HIS 44 -9.363 -16.538 7.373 360 H ARG 45 H ARG 45 -7.047 -22.382 4.193 361 HA ARG 45 HA ARG 45 -6.244 -23.684 2.509 362 HB2 ARG 45 1HB ARG 45 -7.158 -25.864 2.442 363 HB3 ARG 45 2HB ARG 45 -7.268 -25.244 4.082 364 HG2 ARG 45 1HG ARG 45 -9.693 -25.080 2.303 365 HG3 ARG 45 2HG ARG 45 -9.232 -26.636 2.987 366 HD2 ARG 45 1HD ARG 45 -9.665 -25.956 5.170 367 HD3 ARG 45 2HD ARG 45 -9.502 -24.232 4.768 368 HE ARG 45 HE ARG 45 -11.665 -25.704 3.391 369 HH11 ARG 45 1HH1 ARG 45 -10.870 -23.472 6.056 370 HH12 ARG 45 2HH1 ARG 45 -12.529 -22.951 6.183 371 HH21 ARG 45 1HH2 ARG 45 -13.661 -25.005 3.615 372 HH22 ARG 45 2HH2 ARG 45 -14.102 -23.806 4.816 373 H THR 46 H THR 46 -7.155 -21.559 1.210 374 HA THR 46 HA THR 46 -8.947 -21.793 -0.868 375 HB THR 46 HB THR 46 -6.116 -20.736 -1.213 376 HG1 THR 46 HG1 THR 46 -7.378 -18.752 -0.414 377 HG21 THR 46 1HG2 THR 46 -8.769 -19.660 -2.249 378 HG22 THR 46 2HG2 THR 46 -7.710 -20.719 -3.203 379 HG23 THR 46 3HG2 THR 46 -7.133 -19.126 -2.693 380 H VAL 47 H VAL 47 -9.095 -22.783 -2.817 381 HA VAL 47 HA VAL 47 -7.898 -25.300 -3.131 382 HB VAL 47 HB VAL 47 -10.057 -24.461 -4.127 383 HG11 VAL 47 1HG1 VAL 47 -9.213 -22.344 -5.111 384 HG12 VAL 47 2HG1 VAL 47 -8.280 -23.279 -6.306 385 HG13 VAL 47 3HG1 VAL 47 -10.054 -23.346 -6.307 386 HG21 VAL 47 1HG2 VAL 47 -9.977 -25.877 -6.113 387 HG22 VAL 47 2HG2 VAL 47 -8.198 -25.832 -6.105 388 HG23 VAL 47 3HG2 VAL 47 -9.076 -26.630 -4.779 389 H GLU 48 H GLU 48 -6.592 -22.206 -4.174 390 HA GLU 48 HA GLU 48 -4.619 -23.562 -5.909 391 HB2 GLU 48 1HB GLU 48 -3.827 -21.291 -6.416 392 HB3 GLU 48 2HB GLU 48 -5.547 -21.492 -6.754 393 HG2 GLU 48 1HG GLU 48 -6.193 -20.200 -4.875 394 HG3 GLU 48 2HG GLU 48 -4.579 -20.279 -4.156 395 H VAL 49 H VAL 49 -4.589 -24.164 -3.035 396 HA VAL 49 HA VAL 49 -2.694 -22.698 -1.583 397 HB VAL 49 HB VAL 49 -4.163 -24.458 -0.633 398 HG11 VAL 49 1HG1 VAL 49 -2.258 -26.498 -1.848 399 HG12 VAL 49 2HG1 VAL 49 -3.658 -26.825 -0.808 400 HG13 VAL 49 3HG1 VAL 49 -3.909 -26.162 -2.432 401 HG21 VAL 49 1HG2 VAL 49 -1.222 -24.978 -0.072 402 HG22 VAL 49 2HG2 VAL 49 -2.226 -23.702 0.662 403 HG23 VAL 49 3HG2 VAL 49 -2.589 -25.406 0.981 404 H GLU 50 H GLU 50 -2.076 -25.123 -4.092 405 HA GLU 50 HA GLU 50 0.773 -25.324 -3.533 406 HB2 GLU 50 1HB GLU 50 -0.818 -25.996 -6.039 407 HB3 GLU 50 2HB GLU 50 0.831 -26.522 -5.693 408 HG2 GLU 50 1HG GLU 50 -1.667 -27.308 -4.145 409 HG3 GLU 50 2HG GLU 50 -0.795 -28.316 -5.308 410 H LYS 51 H LYS 51 -1.135 -22.900 -4.962 411 HA LYS 51 HA LYS 51 1.234 -21.697 -6.307 412 HB2 LYS 51 1HB LYS 51 -0.198 -23.152 -7.883 413 HB3 LYS 51 2HB LYS 51 -1.465 -21.955 -7.666 414 HG2 LYS 51 1HG LYS 51 0.513 -20.288 -8.462 415 HG3 LYS 51 2HG LYS 51 1.123 -21.784 -9.180 416 HD2 LYS 51 1HD LYS 51 -0.183 -21.037 -10.922 417 HD3 LYS 51 2HD LYS 51 -1.394 -21.995 -10.059 418 HE2 LYS 51 1HE LYS 51 -1.001 -18.975 -9.731 419 HE3 LYS 51 2HE LYS 51 -2.195 -19.712 -10.809 420 HZ1 LYS 51 1HZ LYS 51 -3.240 -19.076 -8.752 421 HZ2 LYS 51 2HZ LYS 51 -2.149 -19.914 -7.854 422 HZ3 LYS 51 3HZ LYS 51 -3.218 -20.720 -8.819 423 H VAL 52 H VAL 52 -0.157 -21.000 -3.815 424 HA VAL 52 HA VAL 52 -2.113 -18.973 -4.235 425 HB VAL 52 HB VAL 52 -1.023 -18.080 -1.964 426 HG11 VAL 52 1HG1 VAL 52 -2.604 -20.661 -2.173 427 HG12 VAL 52 2HG1 VAL 52 -2.519 -19.589 -0.757 428 HG13 VAL 52 3HG1 VAL 52 -3.282 -19.022 -2.254 429 HG21 VAL 52 1HG2 VAL 52 -0.162 -20.990 -1.896 430 HG22 VAL 52 2HG2 VAL 52 0.966 -19.654 -2.225 431 HG23 VAL 52 3HG2 VAL 52 0.110 -19.729 -0.681 432 H HIS 53 H HIS 53 1.432 -18.777 -4.320 433 HA HIS 53 HA HIS 53 1.102 -16.194 -5.619 434 HB2 HIS 53 1HB HIS 53 2.663 -14.973 -4.133 435 HB3 HIS 53 2HB HIS 53 1.154 -15.417 -3.352 436 HD1 HIS 53 HD1 HIS 53 4.834 -15.825 -3.073 437 HD2 HIS 53 HD2 HIS 53 1.408 -17.547 -1.437 438 HE1 HIS 53 HE1 HIS 53 5.567 -17.145 -1.038 439 H LEU 54 H LEU 54 3.646 -18.272 -4.204 440 HA LEU 54 HA LEU 54 5.772 -18.729 -4.871 441 HB2 LEU 54 1HB LEU 54 4.858 -18.147 -7.706 442 HB3 LEU 54 2HB LEU 54 6.282 -19.054 -7.219 443 HG LEU 54 HG LEU 54 3.415 -19.931 -6.699 444 HD11 LEU 54 1HD1 LEU 54 3.818 -21.560 -8.502 445 HD12 LEU 54 2HD1 LEU 54 5.416 -20.841 -8.803 446 HD13 LEU 54 3HD1 LEU 54 3.938 -19.890 -9.095 447 HD21 LEU 54 1HD2 LEU 54 4.452 -22.138 -6.214 448 HD22 LEU 54 2HD2 LEU 54 4.973 -20.895 -5.065 449 HD23 LEU 54 3HD2 LEU 54 6.067 -21.402 -6.372 450 H GLU 55 H GLU 55 7.630 -17.645 -6.456 451 HA GLU 55 HA GLU 55 8.131 -15.150 -5.148 452 HB2 GLU 55 1HB GLU 55 9.378 -16.122 -7.751 453 HB3 GLU 55 2HB GLU 55 10.059 -14.965 -6.614 454 HG2 GLU 55 1HG GLU 55 11.249 -16.968 -6.248 455 HG3 GLU 55 2HG GLU 55 10.111 -16.854 -4.895 456 H LYS 56 H LYS 56 6.772 -16.012 -8.284 457 HA LYS 56 HA LYS 56 6.954 -13.469 -9.520 458 HB2 LYS 56 1HB LYS 56 4.863 -15.647 -9.898 459 HB3 LYS 56 2HB LYS 56 5.130 -14.284 -10.994 460 HG2 LYS 56 1HG LYS 56 7.452 -15.099 -11.414 461 HG3 LYS 56 2HG LYS 56 7.156 -16.465 -10.329 462 HD2 LYS 56 1HD LYS 56 6.867 -17.333 -12.508 463 HD3 LYS 56 2HD LYS 56 5.227 -17.127 -11.869 464 HE2 LYS 56 1HE LYS 56 4.975 -15.023 -13.136 465 HE3 LYS 56 2HE LYS 56 6.650 -15.153 -13.712 466 HZ1 LYS 56 1HZ LYS 56 6.033 -17.202 -14.859 467 HZ2 LYS 56 2HZ LYS 56 5.081 -15.956 -15.370 468 HZ3 LYS 56 3HZ LYS 56 4.476 -17.082 -14.327 469 H LYS 57 H LYS 57 4.067 -14.870 -7.793 470 HA LYS 57 HA LYS 57 2.793 -12.253 -8.030 471 HB2 LYS 57 1HB LYS 57 1.679 -14.615 -7.961 472 HB3 LYS 57 2HB LYS 57 1.790 -14.389 -6.220 473 HG2 LYS 57 1HG LYS 57 0.715 -11.981 -7.180 474 HG3 LYS 57 2HG LYS 57 -0.079 -13.251 -8.121 475 HD2 LYS 57 1HD LYS 57 -1.441 -12.907 -6.228 476 HD3 LYS 57 2HD LYS 57 -0.572 -14.415 -5.894 477 HE2 LYS 57 1HE LYS 57 0.962 -13.264 -4.401 478 HE3 LYS 57 2HE LYS 57 0.348 -11.689 -4.908 479 HZ1 LYS 57 1HZ LYS 57 -0.458 -12.437 -2.725 480 HZ2 LYS 57 2HZ LYS 57 -1.305 -13.663 -3.454 481 HZ3 LYS 57 3HZ LYS 57 -1.670 -12.074 -3.786 482 H LEU 58 H LEU 58 4.815 -13.874 -5.585 483 HA LEU 58 HA LEU 58 4.026 -12.159 -3.410 484 HB2 LEU 58 1HB LEU 58 5.540 -14.138 -3.197 485 HB3 LEU 58 2HB LEU 58 6.790 -13.252 -4.056 486 HG LEU 58 HG LEU 58 6.830 -11.584 -2.202 487 HD11 LEU 58 1HD1 LEU 58 5.794 -12.262 -0.022 488 HD12 LEU 58 2HD1 LEU 58 4.921 -13.557 -0.871 489 HD13 LEU 58 3HD1 LEU 58 4.596 -11.852 -1.259 490 HD21 LEU 58 1HD2 LEU 58 8.417 -13.466 -2.316 491 HD22 LEU 58 2HD2 LEU 58 7.284 -14.484 -1.393 492 HD23 LEU 58 3HD2 LEU 58 8.023 -13.057 -0.634 493 H ARG 59 H ARG 59 6.478 -11.887 -6.000 494 HA ARG 59 HA ARG 59 7.310 -9.233 -5.303 495 HB2 ARG 59 1HB ARG 59 7.423 -10.819 -7.883 496 HB3 ARG 59 2HB ARG 59 8.064 -9.174 -7.749 497 HG2 ARG 59 1HG ARG 59 9.705 -9.825 -6.140 498 HG3 ARG 59 2HG ARG 59 8.924 -11.389 -5.864 499 HD2 ARG 59 1HD ARG 59 10.882 -11.764 -7.193 500 HD3 ARG 59 2HD ARG 59 9.454 -12.042 -8.209 501 HE ARG 59 HE ARG 59 10.227 -9.353 -8.559 502 HH11 ARG 59 1HH1 ARG 59 11.585 -12.538 -9.241 503 HH12 ARG 59 2HH1 ARG 59 12.487 -11.964 -10.618 504 HH21 ARG 59 1HH2 ARG 59 11.402 -8.694 -10.339 505 HH22 ARG 59 2HH2 ARG 59 12.393 -9.825 -11.215 506 H ASP 60 H ASP 60 4.598 -10.455 -7.328 507 HA ASP 60 HA ASP 60 3.933 -7.841 -8.322 508 HB2 ASP 60 1HB ASP 60 3.041 -9.985 -9.257 509 HB3 ASP 60 2HB ASP 60 2.003 -10.120 -7.829 510 H GLU 61 H GLU 61 2.670 -9.630 -5.418 511 HA GLU 61 HA GLU 61 0.786 -7.560 -4.787 512 HB2 GLU 61 1HB GLU 61 0.533 -8.638 -2.640 513 HB3 GLU 61 2HB GLU 61 0.598 -9.851 -3.897 514 HG2 GLU 61 1HG GLU 61 2.889 -10.396 -3.274 515 HG3 GLU 61 2HG GLU 61 2.893 -9.124 -2.059 516 H ILE 62 H ILE 62 4.102 -8.197 -3.518 517 HA ILE 62 HA ILE 62 4.166 -5.821 -1.976 518 HB ILE 62 HB ILE 62 6.565 -7.281 -3.176 519 HG12 ILE 62 1HG1 ILE 62 5.170 -7.663 -0.485 520 HG13 ILE 62 2HG1 ILE 62 4.993 -8.754 -1.837 521 HG21 ILE 62 1HG2 ILE 62 7.727 -6.286 -1.185 522 HG22 ILE 62 2HG2 ILE 62 7.065 -5.026 -2.237 523 HG23 ILE 62 3HG2 ILE 62 6.210 -5.465 -0.742 524 HD11 ILE 62 1HD1 ILE 62 7.462 -9.211 -1.755 525 HD12 ILE 62 2HD1 ILE 62 7.520 -8.262 -0.247 526 HD13 ILE 62 3HD1 ILE 62 6.545 -9.741 -0.327 527 H ASN 63 H ASN 63 4.805 -6.346 -5.482 528 HA ASN 63 HA ASN 63 5.930 -3.697 -5.874 529 HB2 ASN 63 1HB ASN 63 4.652 -5.719 -7.717 530 HB3 ASN 63 2HB ASN 63 4.897 -4.063 -8.266 531 HD21 ASN 63 1HD2 ASN 63 7.821 -6.252 -9.122 532 HD22 ASN 63 2HD2 ASN 63 6.095 -6.474 -9.276 533 H LEU 64 H LEU 64 2.613 -4.989 -5.710 534 HA LEU 64 HA LEU 64 1.422 -2.514 -6.659 535 HB2 LEU 64 1HB LEU 64 0.516 -5.092 -5.553 536 HB3 LEU 64 2HB LEU 64 -0.471 -3.721 -5.054 537 HG LEU 64 HG LEU 64 -1.337 -4.858 -7.030 538 HD11 LEU 64 1HD1 LEU 64 -1.802 -2.451 -6.636 539 HD12 LEU 64 2HD1 LEU 64 -1.831 -2.884 -8.359 540 HD13 LEU 64 3HD1 LEU 64 -0.426 -2.035 -7.683 541 HD21 LEU 64 1HD2 LEU 64 0.743 -5.585 -8.104 542 HD22 LEU 64 2HD2 LEU 64 1.131 -3.899 -8.496 543 HD23 LEU 64 3HD2 LEU 64 -0.287 -4.674 -9.226 544 H ALA 65 H ALA 65 2.202 -3.933 -3.462 545 HA ALA 65 HA ALA 65 1.180 -1.729 -1.932 546 HB1 ALA 65 1HB ALA 65 1.841 -3.867 -0.939 547 HB2 ALA 65 2HB ALA 65 3.540 -3.563 -1.381 548 HB3 ALA 65 3HB ALA 65 2.728 -2.518 -0.194 549 H LYS 66 H LYS 66 4.242 -2.284 -3.634 550 HA LYS 66 HA LYS 66 5.622 0.054 -2.702 551 HB2 LYS 66 1HB LYS 66 6.624 -1.935 -3.850 552 HB3 LYS 66 2HB LYS 66 5.902 -1.377 -5.355 553 HG2 LYS 66 1HG LYS 66 7.221 0.771 -5.072 554 HG3 LYS 66 2HG LYS 66 8.106 -0.055 -3.772 555 HD2 LYS 66 1HD LYS 66 7.814 -1.074 -6.630 556 HD3 LYS 66 2HD LYS 66 9.227 -0.195 -6.019 557 HE2 LYS 66 1HE LYS 66 9.680 -1.981 -4.395 558 HE3 LYS 66 2HE LYS 66 8.215 -2.850 -4.905 559 HZ1 LYS 66 1HZ LYS 66 10.313 -3.641 -5.931 560 HZ2 LYS 66 2HZ LYS 66 10.407 -2.221 -6.770 561 HZ3 LYS 66 3HZ LYS 66 9.128 -3.247 -7.008 562 H GLN 67 H GLN 67 3.309 -0.499 -5.382 563 HA GLN 67 HA GLN 67 3.665 2.148 -6.504 564 HB2 GLN 67 1HB GLN 67 1.368 0.165 -6.642 565 HB3 GLN 67 2HB GLN 67 1.329 1.740 -7.437 566 HG2 GLN 67 1HG GLN 67 3.269 1.161 -8.783 567 HG3 GLN 67 2HG GLN 67 3.419 -0.388 -7.948 568 HE21 GLN 67 1HE2 GLN 67 1.373 -1.987 -10.220 569 HE22 GLN 67 2HE2 GLN 67 2.726 -2.025 -9.114 570 H GLU 68 H GLU 68 1.212 0.703 -4.245 571 HA GLU 68 HA GLU 68 -0.113 3.056 -3.520 572 HB2 GLU 68 1HB GLU 68 -0.505 0.645 -2.758 573 HB3 GLU 68 2HB GLU 68 0.759 0.895 -1.562 574 HG2 GLU 68 1HG GLU 68 -0.551 2.721 -0.553 575 HG3 GLU 68 2HG GLU 68 -1.819 2.461 -1.759 576 H ALA 69 H ALA 69 2.986 1.795 -2.143 577 HA ALA 69 HA ALA 69 3.379 3.939 -0.315 578 HB1 ALA 69 1HB ALA 69 4.612 1.846 -0.156 579 HB2 ALA 69 2HB ALA 69 5.387 2.141 -1.728 580 HB3 ALA 69 3HB ALA 69 5.763 3.188 -0.350 581 H GLN 70 H GLN 70 4.480 3.624 -3.725 582 HA GLN 70 HA GLN 70 6.088 5.993 -3.746 583 HB2 GLN 70 1HB GLN 70 6.090 4.205 -5.514 584 HB3 GLN 70 2HB GLN 70 4.495 4.765 -6.032 585 HG2 GLN 70 1HG GLN 70 5.491 7.009 -6.505 586 HG3 GLN 70 2HG GLN 70 7.084 6.343 -6.125 587 HE21 GLN 70 1HE2 GLN 70 5.738 6.075 -9.811 588 HE22 GLN 70 2HE2 GLN 70 5.238 7.246 -8.600 589 H ARG 71 H ARG 71 2.645 5.354 -4.458 590 HA ARG 71 HA ARG 71 2.035 8.066 -5.191 591 HB2 ARG 71 1HB ARG 71 0.251 5.895 -4.046 592 HB3 ARG 71 2HB ARG 71 -0.298 7.420 -4.751 593 HG2 ARG 71 1HG ARG 71 1.093 6.612 -6.831 594 HG3 ARG 71 2HG ARG 71 0.861 5.021 -6.102 595 HD2 ARG 71 1HD ARG 71 -1.563 5.480 -5.958 596 HD3 ARG 71 2HD ARG 71 -1.284 7.004 -6.819 597 HE ARG 71 HE ARG 71 -1.268 4.298 -7.929 598 HH11 ARG 71 1HH1 ARG 71 -0.305 7.673 -8.529 599 HH12 ARG 71 2HH1 ARG 71 -0.263 7.418 -10.251 600 HH21 ARG 71 1HH2 ARG 71 -1.181 4.091 -10.125 601 HH22 ARG 71 2HH2 ARG 71 -0.746 5.443 -11.132 602 H LEU 72 H LEU 72 2.217 6.372 -2.038 603 HA LEU 72 HA LEU 72 1.021 8.569 -0.606 604 HB2 LEU 72 1HB LEU 72 2.545 6.116 0.171 605 HB3 LEU 72 2HB LEU 72 2.230 7.390 1.370 606 HG LEU 72 HG LEU 72 -0.038 6.519 -0.354 607 HD11 LEU 72 1HD1 LEU 72 0.948 4.384 0.315 608 HD12 LEU 72 2HD1 LEU 72 -0.650 4.660 1.026 609 HD13 LEU 72 3HD1 LEU 72 0.806 4.875 2.000 610 HD21 LEU 72 1HD2 LEU 72 -0.260 8.334 1.306 611 HD22 LEU 72 2HD2 LEU 72 0.130 7.187 2.592 612 HD23 LEU 72 3HD2 LEU 72 -1.353 6.980 1.635 613 H LYS 73 H LYS 73 4.280 7.799 -1.750 614 HA LYS 73 HA LYS 73 5.489 9.999 -0.262 615 HB2 LYS 73 1HB LYS 73 6.799 8.101 -1.216 616 HB3 LYS 73 2HB LYS 73 6.420 8.679 -2.832 617 HG2 LYS 73 1HG LYS 73 7.493 10.934 -1.537 618 HG3 LYS 73 2HG LYS 73 8.465 9.590 -0.944 619 HD2 LYS 73 1HD LYS 73 9.534 10.505 -2.913 620 HD3 LYS 73 2HD LYS 73 8.909 8.896 -3.308 621 HE2 LYS 73 1HE LYS 73 8.485 10.467 -5.151 622 HE3 LYS 73 2HE LYS 73 6.960 9.918 -4.445 623 HZ1 LYS 73 1HZ LYS 73 6.908 12.273 -4.839 624 HZ2 LYS 73 2HZ LYS 73 8.257 12.541 -3.931 625 HZ3 LYS 73 3HZ LYS 73 6.868 12.021 -3.210 626 H GLU 74 H GLU 74 4.107 9.636 -3.584 627 HA GLU 74 HA GLU 74 4.766 12.345 -4.339 628 HB2 GLU 74 1HB GLU 74 2.741 10.361 -5.402 629 HB3 GLU 74 2HB GLU 74 3.003 11.967 -6.113 630 HG2 GLU 74 1HG GLU 74 5.402 11.423 -6.442 631 HG3 GLU 74 2HG GLU 74 5.129 9.813 -5.775 632 H LEU 75 H LEU 75 1.969 10.862 -2.751 633 HA LEU 75 HA LEU 75 0.341 13.200 -2.618 634 HB2 LEU 75 1HB LEU 75 -0.425 10.905 -2.164 635 HB3 LEU 75 2HB LEU 75 0.634 10.814 -0.768 636 HG LEU 75 HG LEU 75 -0.716 12.552 0.363 637 HD11 LEU 75 1HD1 LEU 75 -2.487 12.220 -2.060 638 HD12 LEU 75 2HD1 LEU 75 -1.686 13.710 -1.520 639 HD13 LEU 75 3HD1 LEU 75 -2.986 12.991 -0.548 640 HD21 LEU 75 1HD2 LEU 75 -1.085 10.178 0.737 641 HD22 LEU 75 2HD2 LEU 75 -2.187 10.097 -0.657 642 HD23 LEU 75 3HD2 LEU 75 -2.622 11.046 0.788 643 H ARG 76 H ARG 76 2.743 11.835 -0.273 644 HA ARG 76 HA ARG 76 2.302 13.927 1.632 645 HB2 ARG 76 1HB ARG 76 3.959 13.006 2.935 646 HB3 ARG 76 2HB ARG 76 3.381 11.625 2.020 647 HG2 ARG 76 1HG ARG 76 5.593 11.240 1.716 648 HG3 ARG 76 2HG ARG 76 5.422 12.408 0.424 649 HD2 ARG 76 1HD ARG 76 5.862 13.923 2.755 650 HD3 ARG 76 2HD ARG 76 7.022 12.581 2.804 651 HE ARG 76 HE ARG 76 7.105 13.605 0.180 652 HH11 ARG 76 1HH1 ARG 76 7.822 14.872 3.408 653 HH12 ARG 76 2HH1 ARG 76 8.979 16.014 2.792 654 HH21 ARG 76 1HH2 ARG 76 8.597 15.039 -0.503 655 HH22 ARG 76 2HH2 ARG 76 9.418 16.110 0.620 656 H GLU 77 H GLU 77 4.085 13.962 -1.341 657 HA GLU 77 HA GLU 77 5.934 16.050 -0.646 658 HB2 GLU 77 1HB GLU 77 5.183 14.686 -3.003 659 HB3 GLU 77 2HB GLU 77 4.785 16.381 -3.303 660 HG2 GLU 77 1HG GLU 77 6.952 16.330 -4.047 661 HG3 GLU 77 2HG GLU 77 7.220 16.803 -2.362 662 H GLY 78 H GLY 78 2.522 15.980 -1.694 663 HA2 GLY 78 1HA GLY 78 0.816 17.368 -1.118 664 HA3 GLY 78 2HA GLY 78 1.894 18.173 0.006 665 H THR 79 H THR 79 0.101 19.686 -0.783 666 HA THR 79 HA THR 79 1.443 21.766 -2.303 667 HB THR 79 HB THR 79 0.364 20.474 -4.195 668 HG1 THR 79 HG1 THR 79 -1.077 22.343 -4.802 669 HG21 THR 79 1HG2 THR 79 -2.273 21.128 -2.800 670 HG22 THR 79 2HG2 THR 79 -1.549 19.507 -2.899 671 HG23 THR 79 3HG2 THR 79 -2.067 20.337 -4.377 672 H GLU 80 H GLU 80 0.034 23.770 -2.104 673 HA GLU 80 HA GLU 80 -1.759 23.566 0.295 674 HB2 GLU 80 1HB GLU 80 -0.300 25.971 -0.871 675 HB3 GLU 80 2HB GLU 80 -1.418 26.009 0.496 676 HG2 GLU 80 1HG GLU 80 0.414 24.067 1.234 677 HG3 GLU 80 2HG GLU 80 1.408 25.270 0.405 678 H ASN 81 H ASN 81 -1.852 23.587 -3.014 679 HA ASN 81 HA ASN 81 -4.605 24.616 -3.023 680 HB2 ASN 81 1HB ASN 81 -2.915 26.554 -3.416 681 HB3 ASN 81 2HB ASN 81 -2.631 25.801 -4.992 682 HD21 ASN 81 1HD2 ASN 81 -5.543 28.356 -4.689 683 HD22 ASN 81 2HD2 ASN 81 -4.059 28.299 -3.771 684 H GLU 82 H GLU 82 -5.809 23.430 -4.436 685 HA GLU 82 HA GLU 82 -4.352 21.484 -6.144 686 HB2 GLU 82 1HB GLU 82 -7.184 21.594 -5.074 687 HB3 GLU 82 2HB GLU 82 -6.590 20.346 -6.170 688 HG2 GLU 82 1HG GLU 82 -4.765 20.589 -3.941 689 HG3 GLU 82 2HG GLU 82 -6.419 20.410 -3.331 690 H ARG 83 H ARG 83 -5.588 24.505 -6.639 691 HA ARG 83 HA ARG 83 -7.237 24.055 -8.994 692 HB2 ARG 83 1HB ARG 83 -5.715 26.491 -7.995 693 HB3 ARG 83 2HB ARG 83 -6.757 26.510 -9.421 694 HG2 ARG 83 1HG ARG 83 -8.698 25.870 -8.044 695 HG3 ARG 83 2HG ARG 83 -7.670 25.850 -6.600 696 HD2 ARG 83 1HD ARG 83 -7.132 28.244 -6.964 697 HD3 ARG 83 2HD ARG 83 -8.210 28.257 -8.376 698 HE ARG 83 HE ARG 83 -9.628 27.296 -6.085 699 HH11 ARG 83 1HH1 ARG 83 -8.355 30.327 -7.381 700 HH12 ARG 83 2HH1 ARG 83 -9.534 31.291 -6.534 701 HH21 ARG 83 1HH2 ARG 83 -11.103 28.596 -5.040 702 HH22 ARG 83 2HH2 ARG 83 -11.057 30.326 -5.236 703 H SER 84 H SER 84 -6.485 25.210 -11.133 704 HA SER 84 HA SER 84 -5.205 24.989 -13.029 705 HB2 SER 84 1HB SER 84 -3.892 26.653 -11.619 706 HB3 SER 84 2HB SER 84 -2.806 25.313 -11.200 707 HG SER 84 HG SER 84 -2.256 25.101 -13.327 708 H ARG 85 H ARG 85 -5.950 22.553 -11.905 709 HA ARG 85 HA ARG 85 -5.607 20.314 -12.047 710 HB2 ARG 85 1HB ARG 85 -3.229 20.936 -13.829 711 HB3 ARG 85 2HB ARG 85 -4.068 19.394 -13.683 712 HG2 ARG 85 1HG ARG 85 -6.113 20.422 -14.624 713 HG3 ARG 85 2HG ARG 85 -5.226 21.952 -14.829 714 HD2 ARG 85 1HD ARG 85 -3.551 20.760 -16.229 715 HD3 ARG 85 2HD ARG 85 -4.505 19.272 -16.073 716 HE ARG 85 HE ARG 85 -6.193 21.321 -17.076 717 HH11 ARG 85 1HH1 ARG 85 -3.451 19.383 -18.160 718 HH12 ARG 85 2HH1 ARG 85 -3.914 19.493 -19.836 719 HH21 ARG 85 1HH2 ARG 85 -6.715 21.432 -19.241 720 HH22 ARG 85 2HH2 ARG 85 -5.722 20.641 -20.434 721 H GLN 86 H GLN 86 -3.847 22.069 -10.068 722 HA GLN 86 HA GLN 86 -1.597 20.274 -9.620 723 HB2 GLN 86 1HB GLN 86 -1.712 22.738 -9.048 724 HB3 GLN 86 2HB GLN 86 -2.779 22.315 -7.712 725 HG2 GLN 86 1HG GLN 86 -0.447 22.647 -6.981 726 HG3 GLN 86 2HG GLN 86 -0.993 20.999 -6.668 727 HE21 GLN 86 1HE2 GLN 86 1.686 19.603 -8.345 728 HE22 GLN 86 2HE2 GLN 86 0.472 19.508 -7.091 729 H LYS 87 H LYS 87 -4.831 19.780 -9.303 730 HA LYS 87 HA LYS 87 -5.098 18.611 -6.750 731 HB2 LYS 87 1HB LYS 87 -7.190 18.029 -7.335 732 HB3 LYS 87 2HB LYS 87 -6.895 19.215 -8.589 733 HG2 LYS 87 1HG LYS 87 -7.195 17.694 -10.238 734 HG3 LYS 87 2HG LYS 87 -6.124 16.514 -9.495 735 HD2 LYS 87 1HD LYS 87 -9.058 16.947 -8.739 736 HD3 LYS 87 2HD LYS 87 -8.429 15.638 -9.752 737 HE2 LYS 87 1HE LYS 87 -6.939 15.063 -7.670 738 HE3 LYS 87 2HE LYS 87 -8.098 16.035 -6.760 739 HZ1 LYS 87 1HZ LYS 87 -8.749 13.723 -6.727 740 HZ2 LYS 87 2HZ LYS 87 -8.675 13.598 -8.371 741 HZ3 LYS 87 3HZ LYS 87 -9.846 14.520 -7.655 742 H TYR 88 H TYR 88 -3.110 17.588 -9.193 743 HA TYR 88 HA TYR 88 -3.324 14.803 -9.188 744 HB2 TYR 88 1HB TYR 88 -1.787 16.063 -10.638 745 HB3 TYR 88 2HB TYR 88 -0.813 16.514 -9.232 746 HD1 TYR 88 HD1 TYR 88 0.866 15.022 -8.353 747 HD2 TYR 88 HD2 TYR 88 -1.943 13.576 -11.280 748 HE1 TYR 88 HE1 TYR 88 2.181 12.910 -8.584 749 HE2 TYR 88 HE2 TYR 88 -0.614 11.471 -11.496 750 HH TYR 88 HH TYR 88 2.332 10.852 -9.561 751 H ALA 89 H ALA 89 -2.116 16.942 -6.568 752 HA ALA 89 HA ALA 89 -0.687 14.820 -5.259 753 HB1 ALA 89 1HB ALA 89 -0.852 16.267 -3.242 754 HB2 ALA 89 2HB ALA 89 -0.334 17.189 -4.672 755 HB3 ALA 89 3HB ALA 89 -2.014 17.315 -4.091 756 H GLU 90 H GLU 90 -4.051 16.152 -4.549 757 HA GLU 90 HA GLU 90 -4.493 13.918 -2.746 758 HB2 GLU 90 1HB GLU 90 -5.669 16.352 -3.089 759 HB3 GLU 90 2HB GLU 90 -6.884 15.282 -3.797 760 HG2 GLU 90 1HG GLU 90 -7.435 15.542 -1.480 761 HG3 GLU 90 2HG GLU 90 -6.764 13.913 -1.665 762 H GLU 91 H GLU 91 -4.722 14.308 -6.171 763 HA GLU 91 HA GLU 91 -6.570 12.177 -6.735 764 HB2 GLU 91 1HB GLU 91 -5.623 13.756 -8.463 765 HB3 GLU 91 2HB GLU 91 -4.072 12.954 -8.286 766 HG2 GLU 91 1HG GLU 91 -5.107 12.104 -10.255 767 HG3 GLU 91 2HG GLU 91 -5.113 10.819 -9.040 768 H GLU 92 H GLU 92 -3.081 12.303 -5.804 769 HA GLU 92 HA GLU 92 -2.689 9.510 -6.338 770 HB2 GLU 92 1HB GLU 92 -1.204 11.406 -4.507 771 HB3 GLU 92 2HB GLU 92 -0.752 9.718 -4.737 772 HG2 GLU 92 1HG GLU 92 -0.912 11.786 -6.947 773 HG3 GLU 92 2HG GLU 92 0.569 11.236 -6.165 774 H LEU 93 H LEU 93 -4.126 11.219 -3.590 775 HA LEU 93 HA LEU 93 -4.081 8.918 -1.827 776 HB2 LEU 93 1HB LEU 93 -4.519 11.220 -1.012 777 HB3 LEU 93 2HB LEU 93 -6.005 11.270 -1.941 778 HG LEU 93 HG LEU 93 -6.985 9.508 -0.553 779 HD11 LEU 93 1HD1 LEU 93 -5.890 8.810 1.554 780 HD12 LEU 93 2HD1 LEU 93 -4.413 9.673 1.077 781 HD13 LEU 93 3HD1 LEU 93 -4.973 8.269 0.137 782 HD21 LEU 93 1HD2 LEU 93 -7.272 11.881 0.020 783 HD22 LEU 93 2HD2 LEU 93 -5.803 11.829 1.021 784 HD23 LEU 93 3HD2 LEU 93 -7.232 10.871 1.481 785 H GLU 94 H GLU 94 -6.337 10.152 -4.321 786 HA GLU 94 HA GLU 94 -8.331 8.125 -3.814 787 HB2 GLU 94 1HB GLU 94 -7.744 9.656 -6.377 788 HB3 GLU 94 2HB GLU 94 -9.182 8.684 -6.052 789 HG2 GLU 94 1HG GLU 94 -9.429 10.242 -3.952 790 HG3 GLU 94 2HG GLU 94 -8.370 11.329 -4.863 791 H GLN 95 H GLN 95 -5.459 8.299 -5.936 792 HA GLN 95 HA GLN 95 -5.993 5.709 -7.131 793 HB2 GLN 95 1HB GLN 95 -3.444 7.335 -6.962 794 HB3 GLN 95 2HB GLN 95 -3.674 5.891 -7.956 795 HG2 GLN 95 1HG GLN 95 -5.122 8.539 -8.268 796 HG3 GLN 95 2HG GLN 95 -3.876 7.892 -9.329 797 HE21 GLN 95 1HE2 GLN 95 -7.590 7.223 -10.286 798 HE22 GLN 95 2HE2 GLN 95 -6.945 8.596 -9.410 799 H VAL 96 H VAL 96 -4.406 6.743 -4.140 800 HA VAL 96 HA VAL 96 -3.096 4.211 -3.560 801 HB VAL 96 HB VAL 96 -4.021 6.588 -1.902 802 HG11 VAL 96 1HG1 VAL 96 -4.528 4.789 -0.387 803 HG12 VAL 96 2HG1 VAL 96 -3.001 3.964 -0.761 804 HG13 VAL 96 3HG1 VAL 96 -2.989 5.500 0.128 805 HG21 VAL 96 1HG2 VAL 96 -1.737 6.964 -1.525 806 HG22 VAL 96 2HG2 VAL 96 -1.286 5.330 -2.077 807 HG23 VAL 96 3HG2 VAL 96 -1.873 6.542 -3.233 808 H ARG 97 H ARG 97 -6.299 5.651 -2.922 809 HA ARG 97 HA ARG 97 -7.372 3.462 -1.438 810 HB2 ARG 97 1HB ARG 97 -8.463 5.708 -1.717 811 HB3 ARG 97 2HB ARG 97 -8.804 5.293 -3.390 812 HG2 ARG 97 1HG ARG 97 -9.884 3.161 -1.947 813 HG3 ARG 97 2HG ARG 97 -10.284 4.605 -0.999 814 HD2 ARG 97 1HD ARG 97 -10.806 4.220 -3.970 815 HD3 ARG 97 2HD ARG 97 -12.024 4.091 -2.693 816 HE ARG 97 HE ARG 97 -11.558 6.507 -2.196 817 HH11 ARG 97 1HH1 ARG 97 -10.835 5.309 -5.467 818 HH12 ARG 97 2HH1 ARG 97 -10.958 6.921 -6.141 819 HH21 ARG 97 1HH2 ARG 97 -11.716 8.474 -3.165 820 HH22 ARG 97 2HH2 ARG 97 -11.459 8.673 -4.883 821 H GLU 98 H GLU 98 -7.139 4.078 -4.983 822 HA GLU 98 HA GLU 98 -8.491 1.601 -5.622 823 HB2 GLU 98 1HB GLU 98 -6.655 3.322 -7.307 824 HB3 GLU 98 2HB GLU 98 -7.595 1.950 -7.903 825 HG2 GLU 98 1HG GLU 98 -8.689 4.532 -6.744 826 HG3 GLU 98 2HG GLU 98 -8.768 4.010 -8.427 827 H ALA 99 H ALA 99 -5.043 2.383 -5.063 828 HA ALA 99 HA ALA 99 -3.951 -0.109 -6.000 829 HB1 ALA 99 1HB ALA 99 -2.977 1.665 -3.730 830 HB2 ALA 99 2HB ALA 99 -2.035 0.431 -4.593 831 HB3 ALA 99 3HB ALA 99 -2.587 1.891 -5.450 832 H LEU 100 H LEU 100 -5.069 0.995 -2.768 833 HA LEU 100 HA LEU 100 -4.670 -1.525 -1.477 834 HB2 LEU 100 1HB LEU 100 -4.986 0.722 -0.394 835 HB3 LEU 100 2HB LEU 100 -6.697 0.637 -0.806 836 HG LEU 100 HG LEU 100 -6.939 -1.362 0.643 837 HD11 LEU 100 1HD1 LEU 100 -5.054 -1.863 2.258 838 HD12 LEU 100 2HD1 LEU 100 -3.988 -0.865 1.228 839 HD13 LEU 100 3HD1 LEU 100 -4.732 -2.345 0.584 840 HD21 LEU 100 1HD2 LEU 100 -5.638 1.042 1.987 841 HD22 LEU 100 2HD2 LEU 100 -6.692 -0.155 2.779 842 HD23 LEU 100 3HD2 LEU 100 -7.350 0.906 1.517 843 H ARG 101 H ARG 101 -7.418 -0.122 -3.242 844 HA ARG 101 HA ARG 101 -9.343 -2.152 -2.659 845 HB2 ARG 101 1HB ARG 101 -9.701 0.106 -3.748 846 HB3 ARG 101 2HB ARG 101 -9.032 -0.568 -5.229 847 HG2 ARG 101 1HG ARG 101 -10.897 -2.213 -5.266 848 HG3 ARG 101 2HG ARG 101 -11.576 -1.392 -3.831 849 HD2 ARG 101 1HD ARG 101 -11.385 0.775 -5.152 850 HD3 ARG 101 2HD ARG 101 -11.024 -0.214 -6.574 851 HE ARG 101 HE ARG 101 -13.441 -1.142 -5.416 852 HH11 ARG 101 1HH1 ARG 101 -12.210 1.683 -7.163 853 HH12 ARG 101 2HH1 ARG 101 -13.794 2.084 -7.787 854 HH21 ARG 101 1HH2 ARG 101 -15.419 -0.561 -6.265 855 HH22 ARG 101 2HH2 ARG 101 -15.564 0.830 -7.303 856 H LYS 102 H LYS 102 -6.789 -1.920 -5.172 857 HA LYS 102 HA LYS 102 -7.577 -4.330 -6.549 858 HB2 LYS 102 1HB LYS 102 -5.966 -2.605 -7.436 859 HB3 LYS 102 2HB LYS 102 -4.766 -3.173 -6.279 860 HG2 LYS 102 1HG LYS 102 -5.999 -5.096 -8.297 861 HG3 LYS 102 2HG LYS 102 -4.675 -4.018 -8.753 862 HD2 LYS 102 1HD LYS 102 -3.363 -4.986 -6.777 863 HD3 LYS 102 2HD LYS 102 -4.596 -6.242 -6.675 864 HE2 LYS 102 1HE LYS 102 -4.113 -6.986 -8.957 865 HE3 LYS 102 2HE LYS 102 -2.988 -5.637 -9.196 866 HZ1 LYS 102 1HZ LYS 102 -1.538 -6.605 -7.511 867 HZ2 LYS 102 2HZ LYS 102 -1.805 -7.716 -8.691 868 HZ3 LYS 102 3HZ LYS 102 -2.579 -7.847 -7.236 869 H ALA 103 H ALA 103 -5.283 -3.654 -3.848 870 HA ALA 103 HA ALA 103 -4.406 -6.347 -3.581 871 HB1 ALA 103 1HB ALA 103 -4.706 -4.188 -1.439 872 HB2 ALA 103 2HB ALA 103 -3.751 -5.675 -1.276 873 HB3 ALA 103 3HB ALA 103 -3.283 -4.446 -2.474 874 H GLU 104 H GLU 104 -7.135 -4.637 -1.976 875 HA GLU 104 HA GLU 104 -7.964 -6.842 -0.376 876 HB2 GLU 104 1HB GLU 104 -8.692 -4.457 -0.140 877 HB3 GLU 104 2HB GLU 104 -9.684 -4.644 -1.585 878 HG2 GLU 104 1HG GLU 104 -11.105 -4.862 0.344 879 HG3 GLU 104 2HG GLU 104 -10.971 -6.449 -0.427 880 H LYS 105 H LYS 105 -8.993 -5.845 -3.686 881 HA LYS 105 HA LYS 105 -10.919 -7.974 -3.919 882 HB2 LYS 105 1HB LYS 105 -10.826 -5.868 -5.315 883 HB3 LYS 105 2HB LYS 105 -9.425 -6.542 -6.153 884 HG2 LYS 105 1HG LYS 105 -11.405 -6.881 -7.509 885 HG3 LYS 105 2HG LYS 105 -10.851 -8.457 -6.920 886 HD2 LYS 105 1HD LYS 105 -12.563 -8.370 -5.116 887 HD3 LYS 105 2HD LYS 105 -13.124 -6.809 -5.738 888 HE2 LYS 105 1HE LYS 105 -13.712 -7.890 -7.884 889 HE3 LYS 105 2HE LYS 105 -13.134 -9.449 -7.248 890 HZ1 LYS 105 1HZ LYS 105 -14.801 -9.322 -5.516 891 HZ2 LYS 105 2HZ LYS 105 -15.528 -9.226 -6.993 892 HZ3 LYS 105 3HZ LYS 105 -15.345 -7.867 -6.072 893 H GLU 106 H GLU 106 -7.447 -7.738 -4.530 894 HA GLU 106 HA GLU 106 -7.264 -10.239 -5.948 895 HB2 GLU 106 1HB GLU 106 -5.519 -8.355 -5.789 896 HB3 GLU 106 2HB GLU 106 -5.113 -9.020 -4.202 897 HG2 GLU 106 1HG GLU 106 -4.864 -11.251 -5.477 898 HG3 GLU 106 2HG GLU 106 -4.787 -10.235 -6.923 899 H LEU 107 H LEU 107 -7.041 -9.277 -2.472 900 HA LEU 107 HA LEU 107 -6.448 -11.952 -1.571 901 HB2 LEU 107 1HB LEU 107 -7.606 -9.511 -0.225 902 HB3 LEU 107 2HB LEU 107 -7.380 -11.038 0.641 903 HG LEU 107 HG LEU 107 -5.117 -9.673 -0.851 904 HD11 LEU 107 1HD1 LEU 107 -5.826 -9.391 2.074 905 HD12 LEU 107 2HD1 LEU 107 -6.002 -8.125 0.839 906 HD13 LEU 107 3HD1 LEU 107 -4.389 -8.727 1.273 907 HD21 LEU 107 1HD2 LEU 107 -5.210 -11.798 1.336 908 HD22 LEU 107 2HD2 LEU 107 -3.722 -11.027 0.750 909 HD23 LEU 107 3HD2 LEU 107 -4.691 -12.022 -0.346 910 H GLU 108 H GLU 108 -9.496 -10.240 -2.236 911 HA GLU 108 HA GLU 108 -11.279 -12.216 -1.210 912 HB2 GLU 108 1HB GLU 108 -11.957 -9.964 -2.108 913 HB3 GLU 108 2HB GLU 108 -11.593 -10.546 -3.730 914 HG2 GLU 108 1HG GLU 108 -13.295 -12.412 -3.278 915 HG3 GLU 108 2HG GLU 108 -13.817 -11.431 -1.898 916 H SER 109 H SER 109 -9.675 -11.894 -4.436 917 HA SER 109 HA SER 109 -10.779 -14.318 -5.479 918 HB2 SER 109 1HB SER 109 -9.228 -14.153 -7.252 919 HB3 SER 109 2HB SER 109 -9.662 -12.492 -6.816 920 HG SER 109 HG SER 109 -7.645 -12.633 -5.446 921 H HIS 110 H HIS 110 -7.972 -13.694 -3.419 922 HA HIS 110 HA HIS 110 -6.953 -16.433 -3.622 923 HB2 HIS 110 1HB HIS 110 -6.383 -14.200 -1.633 924 HB3 HIS 110 2HB HIS 110 -5.577 -15.767 -1.641 925 HD1 HIS 110 HD1 HIS 110 -4.597 -16.324 -4.354 926 HD2 HIS 110 HD2 HIS 110 -4.746 -12.396 -2.852 927 HE1 HIS 110 HE1 HIS 110 -2.950 -14.942 -5.703 928 H SER 111 H SER 111 -9.752 -15.263 -2.249 929 HA SER 111 HA SER 111 -9.741 -17.542 -0.287 930 HB2 SER 111 1HB SER 111 -11.289 -16.085 1.089 931 HB3 SER 111 2HB SER 111 -9.608 -15.511 1.000 932 HG SER 111 HG SER 111 -10.193 -13.983 -0.483 933 H SER 112 H SER 112 -10.960 -16.499 -3.183 934 HA SER 112 HA SER 112 -13.787 -16.662 -2.783 935 HB2 SER 112 1HB SER 112 -12.091 -16.974 -5.276 936 HB3 SER 112 2HB SER 112 -13.864 -16.872 -5.274 937 HG SER 112 HG SER 112 -12.417 -14.897 -3.899 938 H TRP 113 H TRP 113 -11.473 -19.291 -3.331 939 HA TRP 113 HA TRP 113 -13.772 -21.134 -3.124 940 HB2 TRP 113 1HB TRP 113 -13.278 -20.720 -5.592 941 HB3 TRP 113 2HB TRP 113 -11.726 -21.533 -5.324 942 HD1 TRP 113 HD1 TRP 113 -11.812 -24.186 -4.983 943 HE1 TRP 113 HE1 TRP 113 -13.582 -25.985 -5.253 944 HE3 TRP 113 HE3 TRP 113 -15.874 -21.105 -5.329 945 HZ2 TRP 113 HZ2 TRP 113 -16.415 -26.093 -5.578 946 HZ3 TRP 113 HZ3 TRP 113 -18.141 -22.139 -5.611 947 HH2 TRP 113 HH2 TRP 113 -18.393 -24.618 -5.735 948 H TYR 114 H TYR 114 -13.316 -22.990 -2.063 949 HA TYR 114 HA TYR 114 -10.529 -23.692 -1.396 950 HB2 TYR 114 1HB TYR 114 -11.278 -23.606 1.075 951 HB3 TYR 114 2HB TYR 114 -10.829 -22.088 0.291 952 HD1 TYR 114 HD1 TYR 114 -12.337 -20.261 0.174 953 HD2 TYR 114 HD2 TYR 114 -13.812 -24.162 1.257 954 HE1 TYR 114 HE1 TYR 114 -14.549 -19.272 0.733 955 HE2 TYR 114 HE2 TYR 114 -16.023 -23.155 1.830 956 HH TYR 114 HH TYR 114 -16.663 -19.657 1.477 957 H ALA 115 H ALA 115 -10.557 -25.606 0.110 958 HA ALA 115 HA ALA 115 -12.515 -27.563 -0.864 959 HB1 ALA 115 1HB ALA 115 -10.207 -27.828 1.122 960 HB2 ALA 115 2HB ALA 115 -11.141 -29.171 0.424 961 HB3 ALA 115 3HB ALA 115 -10.112 -28.163 -0.624 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 7.579 39.730 3.486 2 H2 GLY 1 2H GLY 1 8.410 38.499 2.766 3 H3 GLY 1 3H GLY 1 8.938 39.119 4.198 4 HA2 GLY 1 1HA GLY 1 6.975 38.336 5.330 5 HA3 GLY 1 2HA GLY 1 6.416 37.660 3.787 6 H SER 2 H SER 2 6.447 35.688 5.433 7 HA SER 2 HA SER 2 8.970 34.541 6.099 8 HB2 SER 2 1HB SER 2 6.361 33.092 5.506 9 HB3 SER 2 2HB SER 2 7.683 32.542 6.558 10 HG SER 2 HG SER 2 6.065 33.446 7.828 11 HA PRO 3 HA PRO 3 10.039 33.005 2.077 12 HB2 PRO 3 1HB PRO 3 11.674 30.893 2.621 13 HB3 PRO 3 2HB PRO 3 12.176 32.582 2.962 14 HG2 PRO 3 1HG PRO 3 10.972 30.557 4.820 15 HG3 PRO 3 2HG PRO 3 12.459 31.534 5.033 16 HD2 PRO 3 1HD PRO 3 10.102 32.283 6.129 17 HD3 PRO 3 2HD PRO 3 11.244 33.500 5.453 18 H GLU 4 H GLU 4 9.779 31.022 0.694 19 HA GLU 4 HA GLU 4 7.193 30.034 0.889 20 HB2 GLU 4 1HB GLU 4 9.557 28.772 -0.525 21 HB3 GLU 4 2HB GLU 4 7.860 28.412 -0.845 22 HG2 GLU 4 1HG GLU 4 9.228 31.099 -1.259 23 HG3 GLU 4 2HG GLU 4 8.790 29.946 -2.526 24 H PHE 5 H PHE 5 10.159 28.413 2.080 25 HA PHE 5 HA PHE 5 9.011 25.897 2.629 26 HB2 PHE 5 1HB PHE 5 11.419 26.377 2.793 27 HB3 PHE 5 2HB PHE 5 11.132 27.406 4.202 28 HD1 PHE 5 HD1 PHE 5 10.866 23.888 2.960 29 HD2 PHE 5 HD2 PHE 5 10.983 26.487 6.391 30 HE1 PHE 5 HE1 PHE 5 11.046 21.901 4.451 31 HE2 PHE 5 HE2 PHE 5 11.177 24.505 7.889 32 HZ PHE 5 HZ PHE 5 11.193 22.206 6.921 33 H ASN 6 H ASN 6 9.176 28.801 4.757 34 HA ASN 6 HA ASN 6 7.669 27.453 6.851 35 HB2 ASN 6 1HB ASN 6 8.392 30.371 6.410 36 HB3 ASN 6 2HB ASN 6 7.582 29.748 7.855 37 HD21 ASN 6 1HD2 ASN 6 10.480 28.433 9.298 38 HD22 ASN 6 2HD2 ASN 6 8.740 28.556 9.360 39 H ARG 7 H ARG 7 6.959 29.608 4.139 40 HA ARG 7 HA ARG 7 4.317 30.400 4.820 41 HB2 ARG 7 1HB ARG 7 5.720 31.282 2.948 42 HB3 ARG 7 2HB ARG 7 5.508 29.751 2.106 43 HG2 ARG 7 1HG ARG 7 3.083 30.160 1.958 44 HG3 ARG 7 2HG ARG 7 3.334 31.752 2.721 45 HD2 ARG 7 1HD ARG 7 4.881 32.373 0.911 46 HD3 ARG 7 2HD ARG 7 4.689 30.771 0.181 47 HE ARG 7 HE ARG 7 2.129 31.963 0.424 48 HH11 ARG 7 1HH1 ARG 7 5.098 32.346 -1.469 49 HH12 ARG 7 2HH1 ARG 7 4.236 33.043 -2.820 50 HH21 ARG 7 1HH2 ARG 7 1.117 32.842 -1.353 51 HH22 ARG 7 2HH2 ARG 7 2.037 33.304 -2.758 52 H TYR 8 H TYR 8 5.524 27.428 3.235 53 HA TYR 8 HA TYR 8 2.713 26.448 3.125 54 HB2 TYR 8 1HB TYR 8 5.228 25.315 1.870 55 HB3 TYR 8 2HB TYR 8 3.572 24.768 1.588 56 HD1 TYR 8 HD1 TYR 8 6.089 26.449 0.017 57 HD2 TYR 8 HD2 TYR 8 1.970 27.090 1.080 58 HE1 TYR 8 HE1 TYR 8 5.872 28.134 -1.801 59 HE2 TYR 8 HE2 TYR 8 1.769 28.775 -0.748 60 HH TYR 8 HH TYR 8 4.594 29.777 -2.694 61 H SER 9 H SER 9 5.112 26.362 5.366 62 HA SER 9 HA SER 9 5.547 23.636 5.903 63 HB2 SER 9 1HB SER 9 6.069 24.317 8.197 64 HB3 SER 9 2HB SER 9 6.776 25.444 7.026 65 HG SER 9 HG SER 9 5.193 26.935 7.501 66 H LYS 10 H LYS 10 2.761 25.640 6.699 67 HA LYS 10 HA LYS 10 1.549 24.064 8.671 68 HB2 LYS 10 1HB LYS 10 -0.628 25.015 7.539 69 HB3 LYS 10 2HB LYS 10 0.501 26.093 8.362 70 HG2 LYS 10 1HG LYS 10 1.412 26.910 6.286 71 HG3 LYS 10 2HG LYS 10 0.624 25.627 5.360 72 HD2 LYS 10 1HD LYS 10 -1.600 26.571 6.045 73 HD3 LYS 10 2HD LYS 10 -0.730 27.930 6.784 74 HE2 LYS 10 1HE LYS 10 -1.424 28.625 4.586 75 HE3 LYS 10 2HE LYS 10 0.332 28.380 4.535 76 HZ1 LYS 10 1HZ LYS 10 -1.683 26.422 3.576 77 HZ2 LYS 10 2HZ LYS 10 -0.050 26.226 3.488 78 HZ3 LYS 10 3HZ LYS 10 -0.782 27.404 2.606 79 H GLU 11 H GLU 11 0.384 23.980 5.241 80 HA GLU 11 HA GLU 11 -0.966 21.500 5.885 81 HB2 GLU 11 1HB GLU 11 -0.634 22.652 3.126 82 HB3 GLU 11 2HB GLU 11 -1.877 21.558 3.699 83 HG2 GLU 11 1HG GLU 11 -1.525 24.487 4.390 84 HG3 GLU 11 2HG GLU 11 -2.813 23.763 3.421 85 H HIS 12 H HIS 12 2.131 22.425 4.432 86 HA HIS 12 HA HIS 12 2.545 19.907 3.109 87 HB2 HIS 12 1HB HIS 12 3.935 21.985 2.772 88 HB3 HIS 12 2HB HIS 12 4.696 21.655 4.336 89 HD1 HIS 12 HD1 HIS 12 4.737 20.618 0.742 90 HD2 HIS 12 HD2 HIS 12 6.308 19.299 4.371 91 HE1 HIS 12 HE1 HIS 12 6.561 18.953 0.191 92 H MET 13 H MET 13 3.268 21.043 6.479 93 HA MET 13 HA MET 13 4.485 18.531 7.231 94 HB2 MET 13 1HB MET 13 4.785 20.632 8.522 95 HB3 MET 13 2HB MET 13 3.071 20.602 8.957 96 HG2 MET 13 1HG MET 13 4.361 19.779 10.818 97 HG3 MET 13 2HG MET 13 3.440 18.433 10.125 98 HE1 MET 13 1HE MET 13 6.532 16.344 11.040 99 HE2 MET 13 2HE MET 13 5.543 17.472 11.998 100 HE3 MET 13 3HE MET 13 4.762 16.351 10.853 101 H LYS 14 H LYS 14 1.151 19.843 7.435 102 HA LYS 14 HA LYS 14 -0.041 17.686 8.853 103 HB2 LYS 14 1HB LYS 14 -1.190 19.813 8.288 104 HB3 LYS 14 2HB LYS 14 -1.132 19.385 6.585 105 HG2 LYS 14 1HG LYS 14 -2.549 17.314 7.214 106 HG3 LYS 14 2HG LYS 14 -2.821 18.142 8.758 107 HD2 LYS 14 1HD LYS 14 -4.659 18.769 7.397 108 HD3 LYS 14 2HD LYS 14 -3.566 20.168 7.335 109 HE2 LYS 14 1HE LYS 14 -2.649 19.300 5.156 110 HE3 LYS 14 2HE LYS 14 -3.825 17.971 5.219 111 HZ1 LYS 14 1HZ LYS 14 -5.587 19.645 5.174 112 HZ2 LYS 14 2HZ LYS 14 -4.610 19.799 3.853 113 HZ3 LYS 14 3HZ LYS 14 -4.471 20.866 5.111 114 H LYS 15 H LYS 15 0.288 18.158 5.304 115 HA LYS 15 HA LYS 15 -0.800 15.562 4.703 116 HB2 LYS 15 1HB LYS 15 0.655 17.681 3.149 117 HB3 LYS 15 2HB LYS 15 0.559 16.067 2.472 118 HG2 LYS 15 1HG LYS 15 -1.896 17.612 3.365 119 HG3 LYS 15 2HG LYS 15 -1.261 17.684 1.717 120 HD2 LYS 15 1HD LYS 15 -2.029 15.028 3.017 121 HD3 LYS 15 2HD LYS 15 -3.214 16.032 2.167 122 HE2 LYS 15 1HE LYS 15 -1.937 15.877 0.090 123 HE3 LYS 15 2HE LYS 15 -0.642 15.000 0.923 124 HZ1 LYS 15 1HZ LYS 15 -1.967 13.424 -0.231 125 HZ2 LYS 15 2HZ LYS 15 -3.383 14.005 0.406 126 HZ3 LYS 15 3HZ LYS 15 -2.269 13.217 1.366 127 H MET 16 H MET 16 2.632 16.759 4.967 128 HA MET 16 HA MET 16 3.791 14.312 4.225 129 HB2 MET 16 1HB MET 16 5.022 16.445 4.648 130 HB3 MET 16 2HB MET 16 4.831 16.168 6.384 131 HG2 MET 16 1HG MET 16 6.125 14.074 6.183 132 HG3 MET 16 2HG MET 16 6.272 14.335 4.439 133 HE1 MET 16 1HE MET 16 7.721 15.028 7.921 134 HE2 MET 16 2HE MET 16 8.513 16.613 7.756 135 HE3 MET 16 3HE MET 16 6.738 16.501 7.754 136 H MET 17 H MET 17 2.603 15.295 7.449 137 HA MET 17 HA MET 17 3.474 12.938 8.793 138 HB2 MET 17 1HB MET 17 2.629 14.972 9.921 139 HB3 MET 17 2HB MET 17 1.011 14.652 9.296 140 HG2 MET 17 1HG MET 17 0.921 12.544 10.568 141 HG3 MET 17 2HG MET 17 2.548 12.856 11.201 142 HE1 MET 17 1HE MET 17 3.136 14.490 13.092 143 HE2 MET 17 2HE MET 17 2.731 15.872 12.042 144 HE3 MET 17 3HE MET 17 2.072 15.784 13.693 145 H LYS 18 H LYS 18 0.253 13.682 7.265 146 HA LYS 18 HA LYS 18 -0.654 10.982 7.773 147 HB2 LYS 18 1HB LYS 18 -1.692 13.195 5.992 148 HB3 LYS 18 2HB LYS 18 -2.439 11.591 6.077 149 HG2 LYS 18 1HG LYS 18 -2.492 11.927 8.614 150 HG3 LYS 18 2HG LYS 18 -2.200 13.646 8.273 151 HD2 LYS 18 1HD LYS 18 -4.219 13.730 6.896 152 HD3 LYS 18 2HD LYS 18 -4.434 11.974 7.073 153 HE2 LYS 18 1HE LYS 18 -4.582 12.313 9.562 154 HE3 LYS 18 2HE LYS 18 -4.618 14.066 9.264 155 HZ1 LYS 18 1HZ LYS 18 -6.847 13.139 9.439 156 HZ2 LYS 18 2HZ LYS 18 -6.557 12.087 8.202 157 HZ3 LYS 18 3HZ LYS 18 -6.605 13.709 7.909 158 H ASP 19 H ASP 19 0.977 12.420 4.993 159 HA ASP 19 HA ASP 19 0.323 10.272 3.179 160 HB2 ASP 19 1HB ASP 19 2.648 12.217 3.104 161 HB3 ASP 19 2HB ASP 19 2.084 11.224 1.754 162 H LEU 20 H LEU 20 3.016 10.940 5.486 163 HA LEU 20 HA LEU 20 4.373 8.528 4.472 164 HB2 LEU 20 1HB LEU 20 5.084 10.394 6.737 165 HB3 LEU 20 2HB LEU 20 6.007 8.947 6.302 166 HG LEU 20 HG LEU 20 5.511 11.356 4.525 167 HD11 LEU 20 1HD1 LEU 20 8.058 10.267 5.763 168 HD12 LEU 20 2HD1 LEU 20 7.161 11.703 6.314 169 HD13 LEU 20 3HD1 LEU 20 7.922 11.695 4.711 170 HD21 LEU 20 1HD2 LEU 20 6.915 8.713 3.902 171 HD22 LEU 20 2HD2 LEU 20 7.181 10.194 2.958 172 HD23 LEU 20 3HD2 LEU 20 5.567 9.459 3.005 173 H GLU 21 H GLU 21 2.112 9.370 7.009 174 HA GLU 21 HA GLU 21 2.291 6.863 8.442 175 HB2 GLU 21 1HB GLU 21 0.019 8.767 7.798 176 HB3 GLU 21 2HB GLU 21 -0.323 7.183 8.462 177 HG2 GLU 21 1HG GLU 21 1.002 7.729 10.451 178 HG3 GLU 21 2HG GLU 21 1.297 9.351 9.794 179 H GLY 22 H GLY 22 0.550 8.064 5.541 180 HA2 GLY 22 1HA GLY 22 -0.629 5.619 4.779 181 HA3 GLY 22 2HA GLY 22 -0.258 6.969 3.703 182 H LEU 23 H LEU 23 2.590 6.966 3.880 183 HA LEU 23 HA LEU 23 3.189 4.936 1.985 184 HB2 LEU 23 1HB LEU 23 4.401 7.178 2.698 185 HB3 LEU 23 2HB LEU 23 5.389 6.089 3.674 186 HG LEU 23 HG LEU 23 4.905 5.654 0.704 187 HD11 LEU 23 1HD1 LEU 23 7.003 6.799 0.241 188 HD12 LEU 23 2HD1 LEU 23 7.187 7.210 1.962 189 HD13 LEU 23 3HD1 LEU 23 5.848 7.900 1.011 190 HD21 LEU 23 1HD2 LEU 23 5.840 3.709 1.814 191 HD22 LEU 23 2HD2 LEU 23 7.081 4.700 2.613 192 HD23 LEU 23 3HD2 LEU 23 7.113 4.470 0.849 193 H HIS 24 H HIS 24 3.613 5.102 5.569 194 HA HIS 24 HA HIS 24 4.805 2.431 5.651 195 HB2 HIS 24 1HB HIS 24 3.756 4.279 7.791 196 HB3 HIS 24 2HB HIS 24 4.346 2.643 8.130 197 HD1 HIS 24 HD1 HIS 24 6.922 2.107 7.299 198 HD2 HIS 24 HD2 HIS 24 5.795 6.152 7.654 199 HE1 HIS 24 HE1 HIS 24 9.061 3.477 7.372 200 H ARG 25 H ARG 25 1.512 3.639 5.579 201 HA ARG 25 HA ARG 25 0.379 1.114 6.541 202 HB2 ARG 25 1HB ARG 25 -0.806 3.439 4.997 203 HB3 ARG 25 2HB ARG 25 -1.727 2.001 5.441 204 HG2 ARG 25 1HG ARG 25 -1.498 2.444 7.780 205 HG3 ARG 25 2HG ARG 25 -0.273 3.677 7.499 206 HD2 ARG 25 1HD ARG 25 -2.042 4.985 6.212 207 HD3 ARG 25 2HD ARG 25 -3.230 3.846 6.866 208 HE ARG 25 HE ARG 25 -1.821 5.997 8.281 209 HH11 ARG 25 1HH1 ARG 25 -3.626 2.998 8.744 210 HH12 ARG 25 2HH1 ARG 25 -4.062 3.411 10.380 211 HH21 ARG 25 1HH2 ARG 25 -2.415 6.470 10.366 212 HH22 ARG 25 2HH2 ARG 25 -3.375 5.326 11.280 213 H ALA 26 H ALA 26 1.598 2.439 3.507 214 HA ALA 26 HA ALA 26 0.598 0.255 1.876 215 HB1 ALA 26 1HB ALA 26 1.262 2.495 0.965 216 HB2 ALA 26 2HB ALA 26 2.958 2.104 1.342 217 HB3 ALA 26 3HB ALA 26 2.063 1.126 0.161 218 H GLU 27 H GLU 27 3.493 0.908 3.837 219 HA GLU 27 HA GLU 27 5.009 -1.405 3.059 220 HB2 GLU 27 1HB GLU 27 5.621 0.676 4.468 221 HB3 GLU 27 2HB GLU 27 4.918 -0.187 5.828 222 HG2 GLU 27 1HG GLU 27 6.591 -1.898 5.687 223 HG3 GLU 27 2HG GLU 27 7.201 -1.229 4.156 224 H GLN 28 H GLN 28 2.554 -0.740 5.554 225 HA GLN 28 HA GLN 28 2.360 -3.465 6.454 226 HB2 GLN 28 1HB GLN 28 0.500 -1.090 6.654 227 HB3 GLN 28 2HB GLN 28 0.033 -2.686 7.226 228 HG2 GLN 28 1HG GLN 28 2.425 -1.094 8.201 229 HG3 GLN 28 2HG GLN 28 0.881 -1.271 9.044 230 HE21 GLN 28 1HE2 GLN 28 1.716 -4.971 9.376 231 HE22 GLN 28 2HE2 GLN 28 0.548 -4.145 8.379 232 H SER 29 H SER 29 1.057 -1.803 3.565 233 HA SER 29 HA SER 29 -0.940 -3.879 3.242 234 HB2 SER 29 1HB SER 29 -1.402 -3.022 1.076 235 HB3 SER 29 2HB SER 29 -1.202 -1.649 2.175 236 HG SER 29 HG SER 29 -0.123 -1.216 0.289 237 H LEU 30 H LEU 30 2.488 -3.447 2.241 238 HA LEU 30 HA LEU 30 2.690 -5.855 0.600 239 HB2 LEU 30 1HB LEU 30 4.642 -4.607 2.603 240 HB3 LEU 30 2HB LEU 30 4.957 -6.101 1.806 241 HG LEU 30 HG LEU 30 5.025 -4.774 -0.360 242 HD11 LEU 30 1HD1 LEU 30 4.165 -2.614 0.673 243 HD12 LEU 30 2HD1 LEU 30 5.668 -2.494 -0.249 244 HD13 LEU 30 3HD1 LEU 30 5.708 -2.515 1.526 245 HD21 LEU 30 1HD2 LEU 30 7.049 -4.488 1.924 246 HD22 LEU 30 2HD2 LEU 30 7.434 -4.274 0.202 247 HD23 LEU 30 3HD2 LEU 30 6.914 -5.862 0.801 248 H HIS 31 H HIS 31 3.262 -5.191 4.111 249 HA HIS 31 HA HIS 31 3.713 -7.971 4.594 250 HB2 HIS 31 1HB HIS 31 3.266 -5.706 6.511 251 HB3 HIS 31 2HB HIS 31 3.801 -7.334 6.959 252 HD1 HIS 31 HD1 HIS 31 5.712 -7.592 4.291 253 HD2 HIS 31 HD2 HIS 31 5.727 -4.560 7.175 254 HE1 HIS 31 HE1 HIS 31 7.997 -6.516 4.229 255 H ASP 32 H ASP 32 0.748 -6.057 5.016 256 HA ASP 32 HA ASP 32 -0.686 -8.216 6.293 257 HB2 ASP 32 1HB ASP 32 -1.596 -5.788 4.697 258 HB3 ASP 32 2HB ASP 32 -2.723 -7.023 5.262 259 H LEU 33 H LEU 33 0.039 -7.274 2.875 260 HA LEU 33 HA LEU 33 -1.791 -9.147 1.741 261 HB2 LEU 33 1HB LEU 33 0.646 -7.698 0.713 262 HB3 LEU 33 2HB LEU 33 0.138 -9.138 -0.156 263 HG LEU 33 HG LEU 33 -1.901 -7.026 0.554 264 HD11 LEU 33 1HD1 LEU 33 -0.110 -6.967 -1.901 265 HD12 LEU 33 2HD1 LEU 33 -0.166 -5.771 -0.605 266 HD13 LEU 33 3HD1 LEU 33 -1.564 -5.984 -1.669 267 HD21 LEU 33 1HD2 LEU 33 -2.757 -9.171 -0.262 268 HD22 LEU 33 2HD2 LEU 33 -1.691 -9.096 -1.681 269 HD23 LEU 33 3HD2 LEU 33 -3.013 -7.926 -1.499 270 H GLN 34 H GLN 34 1.747 -9.557 2.529 271 HA GLN 34 HA GLN 34 1.545 -12.350 1.799 272 HB2 GLN 34 1HB GLN 34 3.637 -12.605 3.315 273 HB3 GLN 34 2HB GLN 34 3.740 -11.833 1.759 274 HG2 GLN 34 1HG GLN 34 3.225 -9.976 3.996 275 HG3 GLN 34 2HG GLN 34 4.728 -10.868 4.143 276 HE21 GLN 34 1HE2 GLN 34 4.787 -8.954 0.563 277 HE22 GLN 34 2HE2 GLN 34 3.677 -10.270 0.877 278 H GLU 35 H GLU 35 1.282 -10.764 5.048 279 HA GLU 35 HA GLU 35 1.173 -13.285 6.433 280 HB2 GLU 35 1HB GLU 35 1.664 -11.213 7.607 281 HB3 GLU 35 2HB GLU 35 0.086 -10.547 7.176 282 HG2 GLU 35 1HG GLU 35 0.133 -11.292 9.521 283 HG3 GLU 35 2HG GLU 35 -1.059 -12.188 8.573 284 H ARG 36 H ARG 36 -1.419 -11.168 5.095 285 HA ARG 36 HA ARG 36 -3.498 -12.855 6.184 286 HB2 ARG 36 1HB ARG 36 -3.513 -10.394 5.345 287 HB3 ARG 36 2HB ARG 36 -3.876 -11.094 3.767 288 HG2 ARG 36 1HG ARG 36 -5.949 -11.972 4.603 289 HG3 ARG 36 2HG ARG 36 -5.477 -11.609 6.285 290 HD2 ARG 36 1HD ARG 36 -5.276 -9.193 5.647 291 HD3 ARG 36 2HD ARG 36 -5.948 -9.594 4.058 292 HE ARG 36 HE ARG 36 -7.761 -10.560 5.967 293 HH11 ARG 36 1HH1 ARG 36 -6.473 -7.411 5.032 294 HH12 ARG 36 2HH1 ARG 36 -7.927 -6.569 5.495 295 HH21 ARG 36 1HH2 ARG 36 -9.590 -9.416 6.548 296 HH22 ARG 36 2HH2 ARG 36 -9.657 -7.688 6.338 297 H LEU 37 H LEU 37 -1.627 -12.855 3.145 298 HA LEU 37 HA LEU 37 -3.238 -14.879 1.843 299 HB2 LEU 37 1HB LEU 37 -1.557 -13.551 0.629 300 HB3 LEU 37 2HB LEU 37 -0.285 -14.193 1.656 301 HG LEU 37 HG LEU 37 -0.750 -16.483 0.713 302 HD11 LEU 37 1HD1 LEU 37 -2.399 -14.885 -1.284 303 HD12 LEU 37 2HD1 LEU 37 -3.016 -16.119 -0.165 304 HD13 LEU 37 3HD1 LEU 37 -1.912 -16.582 -1.471 305 HD21 LEU 37 1HD2 LEU 37 1.134 -15.129 0.016 306 HD22 LEU 37 2HD2 LEU 37 0.118 -14.232 -1.132 307 HD23 LEU 37 3HD2 LEU 37 0.453 -15.964 -1.396 308 H HIS 38 H HIS 38 -0.284 -14.987 3.916 309 HA HIS 38 HA HIS 38 -0.054 -17.822 3.846 310 HB2 HIS 38 1HB HIS 38 1.698 -16.214 4.636 311 HB3 HIS 38 2HB HIS 38 0.769 -16.000 6.127 312 HD1 HIS 38 HD1 HIS 38 1.588 -19.267 4.261 313 HD2 HIS 38 HD2 HIS 38 2.190 -17.404 7.952 314 HE1 HIS 38 HE1 HIS 38 2.746 -20.946 5.761 315 H LYS 39 H LYS 39 -1.833 -15.654 6.088 316 HA LYS 39 HA LYS 39 -2.760 -17.807 7.745 317 HB2 LYS 39 1HB LYS 39 -2.765 -15.358 8.330 318 HB3 LYS 39 2HB LYS 39 -4.111 -15.138 7.207 319 HG2 LYS 39 1HG LYS 39 -4.976 -15.280 9.458 320 HG3 LYS 39 2HG LYS 39 -5.465 -16.734 8.575 321 HD2 LYS 39 1HD LYS 39 -3.591 -17.989 9.631 322 HD3 LYS 39 2HD LYS 39 -3.131 -16.528 10.525 323 HE2 LYS 39 1HE LYS 39 -5.325 -16.524 11.637 324 HE3 LYS 39 2HE LYS 39 -5.807 -17.956 10.702 325 HZ1 LYS 39 1HZ LYS 39 -3.502 -17.886 12.549 326 HZ2 LYS 39 2HZ LYS 39 -4.059 -19.206 11.733 327 HZ3 LYS 39 3HZ LYS 39 -4.983 -18.518 12.917 328 H ALA 40 H ALA 40 -4.043 -16.291 4.766 329 HA ALA 40 HA ALA 40 -6.526 -17.703 4.757 330 HB1 ALA 40 1HB ALA 40 -6.577 -17.244 2.328 331 HB2 ALA 40 2HB ALA 40 -6.059 -15.796 3.223 332 HB3 ALA 40 3HB ALA 40 -4.863 -16.786 2.361 333 H GLN 41 H GLN 41 -3.199 -18.616 3.561 334 HA GLN 41 HA GLN 41 -4.108 -21.214 2.676 335 HB2 GLN 41 1HB GLN 41 -1.443 -20.488 3.957 336 HB3 GLN 41 2HB GLN 41 -1.786 -21.962 3.068 337 HG2 GLN 41 1HG GLN 41 -2.073 -20.669 1.011 338 HG3 GLN 41 2HG GLN 41 -1.801 -19.168 1.897 339 HE21 GLN 41 1HE2 GLN 41 1.316 -21.174 0.476 340 HE22 GLN 41 2HE2 GLN 41 -0.342 -21.434 -0.007 341 H GLU 42 H GLU 42 -2.572 -20.187 5.773 342 HA GLU 42 HA GLU 42 -2.484 -22.607 7.060 343 HB2 GLU 42 1HB GLU 42 -1.484 -20.459 7.808 344 HB3 GLU 42 2HB GLU 42 -3.071 -19.937 8.372 345 HG2 GLU 42 1HG GLU 42 -2.464 -22.526 9.504 346 HG3 GLU 42 2HG GLU 42 -1.102 -21.429 9.772 347 H GLU 43 H GLU 43 -5.294 -20.337 7.424 348 HA GLU 43 HA GLU 43 -6.635 -22.629 8.755 349 HB2 GLU 43 1HB GLU 43 -8.431 -21.053 9.315 350 HB3 GLU 43 2HB GLU 43 -6.866 -20.645 10.008 351 HG2 GLU 43 1HG GLU 43 -6.551 -18.850 8.466 352 HG3 GLU 43 2HG GLU 43 -7.961 -19.336 7.520 353 H HIS 44 H HIS 44 -6.928 -20.713 5.731 354 HA HIS 44 HA HIS 44 -9.518 -22.104 5.311 355 HB2 HIS 44 1HB HIS 44 -8.381 -19.841 3.668 356 HB3 HIS 44 2HB HIS 44 -9.981 -20.555 3.526 357 HD1 HIS 44 HD1 HIS 44 -11.008 -20.655 6.376 358 HD2 HIS 44 HD2 HIS 44 -8.771 -17.433 4.902 359 HE1 HIS 44 HE1 HIS 44 -11.512 -18.656 7.873 360 H ARG 45 H ARG 45 -6.368 -21.924 3.749 361 HA ARG 45 HA ARG 45 -5.609 -22.945 1.812 362 HB2 ARG 45 1HB ARG 45 -5.585 -25.395 1.989 363 HB3 ARG 45 2HB ARG 45 -5.160 -24.576 3.485 364 HG2 ARG 45 1HG ARG 45 -7.513 -24.986 4.294 365 HG3 ARG 45 2HG ARG 45 -7.764 -26.012 2.876 366 HD2 ARG 45 1HD ARG 45 -6.402 -27.666 3.690 367 HD3 ARG 45 2HD ARG 45 -5.335 -26.518 4.530 368 HE ARG 45 HE ARG 45 -7.769 -27.752 5.578 369 HH11 ARG 45 1HH1 ARG 45 -5.522 -25.066 5.952 370 HH12 ARG 45 2HH1 ARG 45 -5.942 -24.793 7.616 371 HH21 ARG 45 1HH2 ARG 45 -8.291 -27.340 7.721 372 HH22 ARG 45 2HH2 ARG 45 -7.505 -26.047 8.584 373 H THR 46 H THR 46 -7.715 -21.647 0.892 374 HA THR 46 HA THR 46 -9.719 -23.195 -0.415 375 HB THR 46 HB THR 46 -9.989 -21.162 -1.794 376 HG1 THR 46 HG1 THR 46 -8.280 -19.464 -1.094 377 HG21 THR 46 1HG2 THR 46 -10.443 -19.608 -0.046 378 HG22 THR 46 2HG2 THR 46 -9.116 -20.203 0.960 379 HG23 THR 46 3HG2 THR 46 -10.582 -21.191 0.750 380 H VAL 47 H VAL 47 -9.766 -23.286 -2.979 381 HA VAL 47 HA VAL 47 -7.854 -25.148 -3.822 382 HB VAL 47 HB VAL 47 -9.515 -23.216 -5.506 383 HG11 VAL 47 1HG1 VAL 47 -9.235 -24.915 -7.344 384 HG12 VAL 47 2HG1 VAL 47 -7.731 -24.067 -6.939 385 HG13 VAL 47 3HG1 VAL 47 -7.995 -25.728 -6.357 386 HG21 VAL 47 1HG2 VAL 47 -9.946 -26.113 -4.658 387 HG22 VAL 47 2HG2 VAL 47 -10.842 -24.700 -4.064 388 HG23 VAL 47 3HG2 VAL 47 -11.001 -25.193 -5.755 389 H GLU 48 H GLU 48 -7.526 -21.620 -3.923 390 HA GLU 48 HA GLU 48 -5.360 -21.534 -5.768 391 HB2 GLU 48 1HB GLU 48 -5.991 -19.668 -3.459 392 HB3 GLU 48 2HB GLU 48 -4.884 -19.337 -4.801 393 HG2 GLU 48 1HG GLU 48 -6.930 -19.815 -6.323 394 HG3 GLU 48 2HG GLU 48 -7.891 -19.575 -4.853 395 H VAL 49 H VAL 49 -5.385 -22.792 -2.524 396 HA VAL 49 HA VAL 49 -2.726 -22.109 -1.746 397 HB VAL 49 HB VAL 49 -4.571 -23.145 -0.287 398 HG11 VAL 49 1HG1 VAL 49 -3.479 -25.799 -1.335 399 HG12 VAL 49 2HG1 VAL 49 -4.762 -25.555 -0.130 400 HG13 VAL 49 3HG1 VAL 49 -5.044 -25.106 -1.817 401 HG21 VAL 49 1HG2 VAL 49 -1.814 -24.421 -0.097 402 HG22 VAL 49 2HG2 VAL 49 -2.254 -22.809 0.502 403 HG23 VAL 49 3HG2 VAL 49 -2.999 -24.247 1.220 404 H GLU 50 H GLU 50 -3.927 -24.483 -4.035 405 HA GLU 50 HA GLU 50 -1.442 -26.024 -4.158 406 HB2 GLU 50 1HB GLU 50 -3.733 -26.881 -4.764 407 HB3 GLU 50 2HB GLU 50 -3.753 -25.765 -6.128 408 HG2 GLU 50 1HG GLU 50 -1.728 -26.941 -7.048 409 HG3 GLU 50 2HG GLU 50 -1.870 -28.115 -5.730 410 H LYS 51 H LYS 51 -2.721 -23.086 -5.501 411 HA LYS 51 HA LYS 51 -0.575 -23.024 -7.590 412 HB2 LYS 51 1HB LYS 51 -3.397 -21.903 -7.688 413 HB3 LYS 51 2HB LYS 51 -2.208 -21.821 -9.000 414 HG2 LYS 51 1HG LYS 51 -2.268 -24.227 -9.293 415 HG3 LYS 51 2HG LYS 51 -3.241 -24.427 -7.834 416 HD2 LYS 51 1HD LYS 51 -5.046 -23.071 -8.909 417 HD3 LYS 51 2HD LYS 51 -4.125 -23.189 -10.432 418 HE2 LYS 51 1HE LYS 51 -4.166 -25.652 -10.259 419 HE3 LYS 51 2HE LYS 51 -4.998 -25.539 -8.703 420 HZ1 LYS 51 1HZ LYS 51 -6.522 -26.039 -10.457 421 HZ2 LYS 51 2HZ LYS 51 -6.115 -24.672 -11.290 422 HZ3 LYS 51 3HZ LYS 51 -6.875 -24.556 -9.829 423 H VAL 52 H VAL 52 -0.654 -21.823 -4.766 424 HA VAL 52 HA VAL 52 -1.037 -19.011 -5.004 425 HB VAL 52 HB VAL 52 0.822 -18.950 -3.115 426 HG11 VAL 52 1HG1 VAL 52 -1.841 -20.332 -2.581 427 HG12 VAL 52 2HG1 VAL 52 -0.866 -19.421 -1.406 428 HG13 VAL 52 3HG1 VAL 52 -1.625 -18.584 -2.775 429 HG21 VAL 52 1HG2 VAL 52 0.058 -21.894 -2.965 430 HG22 VAL 52 2HG2 VAL 52 1.611 -21.306 -3.596 431 HG23 VAL 52 3HG2 VAL 52 1.170 -21.008 -1.912 432 H HIS 53 H HIS 53 1.755 -21.040 -5.831 433 HA HIS 53 HA HIS 53 3.847 -20.499 -6.704 434 HB2 HIS 53 1HB HIS 53 2.151 -18.375 -8.076 435 HB3 HIS 53 2HB HIS 53 3.829 -18.744 -8.489 436 HD1 HIS 53 HD1 HIS 53 0.340 -20.214 -8.741 437 HD2 HIS 53 HD2 HIS 53 4.250 -21.020 -9.971 438 HE1 HIS 53 HE1 HIS 53 0.216 -22.071 -10.462 439 H LEU 54 H LEU 54 3.862 -19.713 -4.208 440 HA LEU 54 HA LEU 54 3.647 -17.163 -3.353 441 HB2 LEU 54 1HB LEU 54 5.755 -19.184 -2.587 442 HB3 LEU 54 2HB LEU 54 5.501 -17.674 -1.717 443 HG LEU 54 HG LEU 54 3.391 -19.835 -2.054 444 HD11 LEU 54 1HD1 LEU 54 5.290 -20.614 -0.700 445 HD12 LEU 54 2HD1 LEU 54 3.855 -20.352 0.314 446 HD13 LEU 54 3HD1 LEU 54 5.173 -19.160 0.321 447 HD21 LEU 54 1HD2 LEU 54 2.365 -17.643 -1.682 448 HD22 LEU 54 2HD2 LEU 54 3.469 -17.319 -0.326 449 HD23 LEU 54 3HD2 LEU 54 2.245 -18.602 -0.196 450 H GLU 55 H GLU 55 6.668 -18.200 -5.069 451 HA GLU 55 HA GLU 55 8.051 -15.766 -4.520 452 HB2 GLU 55 1HB GLU 55 9.176 -17.703 -5.471 453 HB3 GLU 55 2HB GLU 55 8.185 -17.631 -6.921 454 HG2 GLU 55 1HG GLU 55 9.881 -15.234 -6.193 455 HG3 GLU 55 2HG GLU 55 10.671 -16.664 -6.870 456 H LYS 56 H LYS 56 6.035 -16.666 -7.353 457 HA LYS 56 HA LYS 56 6.183 -14.108 -8.618 458 HB2 LYS 56 1HB LYS 56 4.011 -16.237 -8.757 459 HB3 LYS 56 2HB LYS 56 4.181 -14.877 -9.866 460 HG2 LYS 56 1HG LYS 56 6.345 -15.765 -10.646 461 HG3 LYS 56 2HG LYS 56 6.217 -17.103 -9.487 462 HD2 LYS 56 1HD LYS 56 5.540 -17.966 -11.604 463 HD3 LYS 56 2HD LYS 56 4.076 -17.796 -10.620 464 HE2 LYS 56 1HE LYS 56 3.576 -15.641 -11.771 465 HE3 LYS 56 2HE LYS 56 5.025 -15.862 -12.775 466 HZ1 LYS 56 1HZ LYS 56 3.022 -16.628 -13.897 467 HZ2 LYS 56 2HZ LYS 56 2.698 -17.700 -12.685 468 HZ3 LYS 56 3HZ LYS 56 4.037 -17.902 -13.629 469 H LYS 57 H LYS 57 3.959 -15.503 -6.217 470 HA LYS 57 HA LYS 57 2.052 -13.359 -6.429 471 HB2 LYS 57 1HB LYS 57 1.512 -15.572 -5.517 472 HB3 LYS 57 2HB LYS 57 2.582 -15.292 -4.143 473 HG2 LYS 57 1HG LYS 57 0.230 -14.964 -3.565 474 HG3 LYS 57 2HG LYS 57 1.152 -13.465 -3.374 475 HD2 LYS 57 1HD LYS 57 0.204 -12.503 -5.331 476 HD3 LYS 57 2HD LYS 57 -0.363 -14.083 -5.913 477 HE2 LYS 57 1HE LYS 57 -2.271 -13.015 -5.132 478 HE3 LYS 57 2HE LYS 57 -1.835 -14.190 -3.888 479 HZ1 LYS 57 1HZ LYS 57 -1.613 -11.259 -3.794 480 HZ2 LYS 57 2HZ LYS 57 -0.767 -12.200 -2.722 481 HZ3 LYS 57 3HZ LYS 57 -2.423 -12.261 -2.765 482 H LEU 58 H LEU 58 4.710 -14.009 -4.099 483 HA LEU 58 HA LEU 58 4.324 -11.658 -2.533 484 HB2 LEU 58 1HB LEU 58 6.802 -13.252 -3.280 485 HB3 LEU 58 2HB LEU 58 6.873 -11.870 -2.198 486 HG LEU 58 HG LEU 58 5.138 -14.276 -1.598 487 HD11 LEU 58 1HD1 LEU 58 6.993 -15.095 -0.189 488 HD12 LEU 58 2HD1 LEU 58 8.036 -13.785 -0.792 489 HD13 LEU 58 3HD1 LEU 58 7.453 -15.048 -1.904 490 HD21 LEU 58 1HD2 LEU 58 6.375 -12.118 0.148 491 HD22 LEU 58 2HD2 LEU 58 5.366 -13.474 0.708 492 HD23 LEU 58 3HD2 LEU 58 4.668 -12.226 -0.336 493 H ARG 59 H ARG 59 6.211 -12.350 -5.483 494 HA ARG 59 HA ARG 59 7.411 -9.818 -5.755 495 HB2 ARG 59 1HB ARG 59 7.890 -11.940 -6.968 496 HB3 ARG 59 2HB ARG 59 6.458 -11.680 -7.953 497 HG2 ARG 59 1HG ARG 59 7.447 -9.809 -9.032 498 HG3 ARG 59 2HG ARG 59 8.791 -9.769 -7.851 499 HD2 ARG 59 1HD ARG 59 9.459 -12.029 -8.505 500 HD3 ARG 59 2HD ARG 59 8.120 -12.122 -9.654 501 HE ARG 59 HE ARG 59 9.619 -9.905 -10.426 502 HH11 ARG 59 1HH1 ARG 59 10.230 -13.374 -10.027 503 HH12 ARG 59 2HH1 ARG 59 11.412 -13.395 -11.317 504 HH21 ARG 59 1HH2 ARG 59 11.148 -10.022 -12.050 505 HH22 ARG 59 2HH2 ARG 59 11.938 -11.531 -12.417 506 H ASP 60 H ASP 60 4.187 -10.885 -7.019 507 HA ASP 60 HA ASP 60 3.804 -8.263 -8.246 508 HB2 ASP 60 1HB ASP 60 2.843 -10.404 -9.141 509 HB3 ASP 60 2HB ASP 60 1.702 -10.382 -7.784 510 H GLU 61 H GLU 61 2.579 -9.818 -5.234 511 HA GLU 61 HA GLU 61 0.625 -7.735 -4.796 512 HB2 GLU 61 1HB GLU 61 0.201 -8.799 -2.741 513 HB3 GLU 61 2HB GLU 61 0.651 -10.084 -3.843 514 HG2 GLU 61 1HG GLU 61 2.988 -9.942 -2.841 515 HG3 GLU 61 2HG GLU 61 2.305 -8.884 -1.607 516 H ILE 62 H ILE 62 3.961 -8.295 -3.609 517 HA ILE 62 HA ILE 62 4.182 -5.824 -2.210 518 HB ILE 62 HB ILE 62 6.307 -7.587 -3.518 519 HG12 ILE 62 1HG1 ILE 62 5.542 -7.251 -0.585 520 HG13 ILE 62 2HG1 ILE 62 4.907 -8.534 -1.608 521 HG21 ILE 62 1HG2 ILE 62 7.826 -6.306 -1.882 522 HG22 ILE 62 2HG2 ILE 62 7.305 -5.471 -3.352 523 HG23 ILE 62 3HG2 ILE 62 6.507 -5.123 -1.812 524 HD11 ILE 62 1HD1 ILE 62 7.802 -8.163 -0.735 525 HD12 ILE 62 2HD1 ILE 62 6.698 -9.489 -0.328 526 HD13 ILE 62 3HD1 ILE 62 7.297 -9.321 -1.991 527 H ASN 63 H ASN 63 4.567 -6.719 -5.692 528 HA ASN 63 HA ASN 63 5.680 -4.159 -6.412 529 HB2 ASN 63 1HB ASN 63 5.692 -6.143 -7.925 530 HB3 ASN 63 2HB ASN 63 3.949 -5.945 -8.143 531 HD21 ASN 63 1HD2 ASN 63 4.460 -3.836 -10.813 532 HD22 ASN 63 2HD2 ASN 63 3.584 -5.162 -10.081 533 H LEU 64 H LEU 64 2.344 -5.309 -5.973 534 HA LEU 64 HA LEU 64 1.069 -2.922 -6.982 535 HB2 LEU 64 1HB LEU 64 -0.129 -5.037 -6.682 536 HB3 LEU 64 2HB LEU 64 0.236 -5.020 -4.967 537 HG LEU 64 HG LEU 64 -1.133 -2.912 -4.755 538 HD11 LEU 64 1HD1 LEU 64 -1.205 -2.202 -7.081 539 HD12 LEU 64 2HD1 LEU 64 -2.844 -2.581 -6.532 540 HD13 LEU 64 3HD1 LEU 64 -1.972 -3.733 -7.562 541 HD21 LEU 64 1HD2 LEU 64 -2.354 -5.540 -5.624 542 HD22 LEU 64 2HD2 LEU 64 -3.214 -4.252 -4.759 543 HD23 LEU 64 3HD2 LEU 64 -1.851 -5.072 -3.992 544 H ALA 65 H ALA 65 1.975 -4.050 -3.684 545 HA ALA 65 HA ALA 65 1.082 -1.669 -2.370 546 HB1 ALA 65 1HB ALA 65 1.575 -3.805 -1.255 547 HB2 ALA 65 2HB ALA 65 3.307 -3.570 -1.591 548 HB3 ALA 65 3HB ALA 65 2.436 -2.439 -0.524 549 H LYS 66 H LYS 66 4.114 -2.507 -4.012 550 HA LYS 66 HA LYS 66 5.600 -0.169 -3.226 551 HB2 LYS 66 1HB LYS 66 5.769 -2.121 -5.504 552 HB3 LYS 66 2HB LYS 66 6.712 -0.633 -5.562 553 HG2 LYS 66 1HG LYS 66 7.968 -1.208 -3.641 554 HG3 LYS 66 2HG LYS 66 6.840 -2.495 -3.183 555 HD2 LYS 66 1HD LYS 66 8.878 -3.459 -4.124 556 HD3 LYS 66 2HD LYS 66 7.495 -3.802 -5.172 557 HE2 LYS 66 1HE LYS 66 8.860 -1.303 -5.907 558 HE3 LYS 66 2HE LYS 66 9.942 -2.707 -5.954 559 HZ1 LYS 66 1HZ LYS 66 8.795 -2.372 -8.071 560 HZ2 LYS 66 2HZ LYS 66 7.323 -2.546 -7.352 561 HZ3 LYS 66 3HZ LYS 66 8.364 -3.819 -7.410 562 H GLN 67 H GLN 67 3.145 -0.722 -5.768 563 HA GLN 67 HA GLN 67 3.712 1.828 -7.059 564 HB2 GLN 67 1HB GLN 67 1.316 -0.031 -7.149 565 HB3 GLN 67 2HB GLN 67 1.393 1.487 -8.047 566 HG2 GLN 67 1HG GLN 67 3.219 0.734 -9.373 567 HG3 GLN 67 2HG GLN 67 3.501 -0.657 -8.327 568 HE21 GLN 67 1HE2 GLN 67 1.257 -2.748 -9.935 569 HE22 GLN 67 2HE2 GLN 67 2.441 -2.520 -8.663 570 H GLU 68 H GLU 68 1.330 0.644 -4.604 571 HA GLU 68 HA GLU 68 0.105 3.140 -4.055 572 HB2 GLU 68 1HB GLU 68 -0.436 0.846 -3.106 573 HB3 GLU 68 2HB GLU 68 0.946 1.029 -2.038 574 HG2 GLU 68 1HG GLU 68 -0.126 3.095 -1.119 575 HG3 GLU 68 2HG GLU 68 -1.565 2.682 -2.063 576 H ALA 69 H ALA 69 3.052 1.715 -2.512 577 HA ALA 69 HA ALA 69 3.655 3.961 -0.883 578 HB1 ALA 69 1HB ALA 69 5.912 2.963 -0.715 579 HB2 ALA 69 2HB ALA 69 4.644 1.724 -0.566 580 HB3 ALA 69 3HB ALA 69 5.547 1.897 -2.090 581 H GLN 70 H GLN 70 4.659 3.208 -4.226 582 HA GLN 70 HA GLN 70 6.495 5.377 -4.527 583 HB2 GLN 70 1HB GLN 70 6.289 3.451 -6.110 584 HB3 GLN 70 2HB GLN 70 4.723 4.081 -6.632 585 HG2 GLN 70 1HG GLN 70 5.865 6.166 -7.382 586 HG3 GLN 70 2HG GLN 70 7.417 5.431 -6.963 587 HE21 GLN 70 1HE2 GLN 70 5.716 4.715 -10.502 588 HE22 GLN 70 2HE2 GLN 70 5.168 5.951 -9.379 589 H ARG 71 H ARG 71 2.939 5.089 -4.983 590 HA ARG 71 HA ARG 71 2.680 7.729 -6.062 591 HB2 ARG 71 1HB ARG 71 0.958 5.890 -6.178 592 HB3 ARG 71 2HB ARG 71 0.613 6.173 -4.466 593 HG2 ARG 71 1HG ARG 71 -1.033 7.331 -5.741 594 HG3 ARG 71 2HG ARG 71 0.046 8.543 -5.041 595 HD2 ARG 71 1HD ARG 71 1.281 8.688 -7.184 596 HD3 ARG 71 2HD ARG 71 0.185 7.481 -7.886 597 HE ARG 71 HE ARG 71 -1.381 9.592 -6.841 598 HH11 ARG 71 1HH1 ARG 71 0.947 9.116 -9.455 599 HH12 ARG 71 2HH1 ARG 71 0.167 10.315 -10.458 600 HH21 ARG 71 1HH2 ARG 71 -2.229 11.156 -8.124 601 HH22 ARG 71 2HH2 ARG 71 -1.591 11.458 -9.716 602 H LEU 72 H LEU 72 2.676 6.482 -2.682 603 HA LEU 72 HA LEU 72 1.934 9.000 -1.545 604 HB2 LEU 72 1HB LEU 72 3.262 6.543 -0.469 605 HB3 LEU 72 2HB LEU 72 2.938 7.979 0.538 606 HG LEU 72 HG LEU 72 0.684 7.092 -1.201 607 HD11 LEU 72 1HD1 LEU 72 1.349 5.456 1.230 608 HD12 LEU 72 2HD1 LEU 72 1.543 4.910 -0.431 609 HD13 LEU 72 3HD1 LEU 72 -0.067 5.295 0.195 610 HD21 LEU 72 1HD2 LEU 72 0.781 7.798 1.738 611 HD22 LEU 72 2HD2 LEU 72 -0.657 7.699 0.701 612 HD23 LEU 72 3HD2 LEU 72 0.548 8.965 0.421 613 H LYS 73 H LYS 73 5.035 7.476 -2.426 614 HA LYS 73 HA LYS 73 6.716 9.616 -1.490 615 HB2 LYS 73 1HB LYS 73 7.516 7.356 -2.043 616 HB3 LYS 73 2HB LYS 73 7.137 7.616 -3.741 617 HG2 LYS 73 1HG LYS 73 8.981 9.598 -2.497 618 HG3 LYS 73 2HG LYS 73 9.596 7.947 -2.693 619 HD2 LYS 73 1HD LYS 73 8.973 8.005 -5.103 620 HD3 LYS 73 2HD LYS 73 8.436 9.684 -4.910 621 HE2 LYS 73 1HE LYS 73 10.708 10.334 -4.203 622 HE3 LYS 73 2HE LYS 73 11.253 8.654 -4.430 623 HZ1 LYS 73 1HZ LYS 73 10.136 10.425 -6.535 624 HZ2 LYS 73 2HZ LYS 73 10.629 8.864 -6.774 625 HZ3 LYS 73 3HZ LYS 73 11.726 10.032 -6.364 626 H GLU 74 H GLU 74 5.088 9.080 -4.630 627 HA GLU 74 HA GLU 74 6.315 11.194 -6.098 628 HB2 GLU 74 1HB GLU 74 3.657 9.765 -6.234 629 HB3 GLU 74 2HB GLU 74 3.945 11.168 -7.247 630 HG2 GLU 74 1HG GLU 74 5.769 10.081 -8.377 631 HG3 GLU 74 2HG GLU 74 5.715 8.716 -7.253 632 H LEU 75 H LEU 75 3.377 11.137 -4.024 633 HA LEU 75 HA LEU 75 2.876 13.936 -4.549 634 HB2 LEU 75 1HB LEU 75 1.185 12.226 -3.835 635 HB3 LEU 75 2HB LEU 75 1.891 12.241 -2.228 636 HG LEU 75 HG LEU 75 -0.276 13.604 -2.779 637 HD11 LEU 75 1HD1 LEU 75 2.006 14.737 -1.159 638 HD12 LEU 75 2HD1 LEU 75 0.742 13.609 -0.626 639 HD13 LEU 75 3HD1 LEU 75 0.322 15.274 -1.069 640 HD21 LEU 75 1HD2 LEU 75 0.727 14.884 -4.682 641 HD22 LEU 75 2HD2 LEU 75 1.778 15.720 -3.514 642 HD23 LEU 75 3HD2 LEU 75 0.022 15.898 -3.408 643 H ARG 76 H ARG 76 4.717 12.095 -2.116 644 HA ARG 76 HA ARG 76 5.112 14.336 -0.397 645 HB2 ARG 76 1HB ARG 76 6.627 11.780 -0.801 646 HB3 ARG 76 2HB ARG 76 7.227 13.023 0.298 647 HG2 ARG 76 1HG ARG 76 4.429 11.883 0.515 648 HG3 ARG 76 2HG ARG 76 5.828 11.175 1.326 649 HD2 ARG 76 1HD ARG 76 5.007 12.556 2.976 650 HD3 ARG 76 2HD ARG 76 6.210 13.609 2.224 651 HE ARG 76 HE ARG 76 3.244 13.720 1.706 652 HH11 ARG 76 1HH1 ARG 76 6.342 15.427 1.951 653 HH12 ARG 76 2HH1 ARG 76 5.597 16.981 1.720 654 HH21 ARG 76 1HH2 ARG 76 2.392 15.660 1.395 655 HH22 ARG 76 2HH2 ARG 76 3.377 17.113 1.375 656 H GLU 77 H GLU 77 6.694 13.553 -3.414 657 HA GLU 77 HA GLU 77 8.628 15.768 -2.877 658 HB2 GLU 77 1HB GLU 77 9.821 15.018 -4.830 659 HB3 GLU 77 2HB GLU 77 9.518 13.656 -3.748 660 HG2 GLU 77 1HG GLU 77 7.564 13.041 -5.211 661 HG3 GLU 77 2HG GLU 77 8.115 14.263 -6.363 662 H GLY 78 H GLY 78 5.573 15.751 -3.533 663 HA2 GLY 78 1HA GLY 78 5.477 17.283 -6.022 664 HA3 GLY 78 2HA GLY 78 4.127 16.797 -5.000 665 H THR 79 H THR 79 2.988 18.533 -4.412 666 HA THR 79 HA THR 79 4.459 20.923 -3.422 667 HB THR 79 HB THR 79 4.006 21.243 -5.872 668 HG1 THR 79 HG1 THR 79 4.027 23.153 -4.932 669 HG21 THR 79 1HG2 THR 79 1.943 19.946 -6.125 670 HG22 THR 79 2HG2 THR 79 1.672 21.628 -6.621 671 HG23 THR 79 3HG2 THR 79 1.072 21.060 -5.049 672 H GLU 80 H GLU 80 3.039 22.532 -2.365 673 HA GLU 80 HA GLU 80 1.105 21.190 -0.612 674 HB2 GLU 80 1HB GLU 80 2.855 23.071 -0.040 675 HB3 GLU 80 2HB GLU 80 1.632 24.168 -0.691 676 HG2 GLU 80 1HG GLU 80 0.155 22.580 1.030 677 HG3 GLU 80 2HG GLU 80 1.707 22.659 1.856 678 H ASN 81 H ASN 81 0.979 22.803 -3.623 679 HA ASN 81 HA ASN 81 -1.576 24.129 -3.222 680 HB2 ASN 81 1HB ASN 81 0.098 24.861 -4.925 681 HB3 ASN 81 2HB ASN 81 -0.201 23.371 -5.823 682 HD21 ASN 81 1HD2 ASN 81 -2.395 26.509 -6.659 683 HD22 ASN 81 2HD2 ASN 81 -0.798 26.484 -5.954 684 H GLU 82 H GLU 82 -3.246 22.846 -2.672 685 HA GLU 82 HA GLU 82 -3.938 20.718 -4.640 686 HB2 GLU 82 1HB GLU 82 -4.108 20.681 -1.860 687 HB3 GLU 82 2HB GLU 82 -5.753 21.063 -2.354 688 HG2 GLU 82 1HG GLU 82 -4.102 18.649 -3.098 689 HG3 GLU 82 2HG GLU 82 -5.601 18.700 -2.167 690 H ARG 83 H ARG 83 -4.552 22.055 -6.310 691 HA ARG 83 HA ARG 83 -7.299 23.117 -5.930 692 HB2 ARG 83 1HB ARG 83 -5.075 24.668 -7.339 693 HB3 ARG 83 2HB ARG 83 -6.804 25.017 -7.500 694 HG2 ARG 83 1HG ARG 83 -6.884 25.262 -4.981 695 HG3 ARG 83 2HG ARG 83 -5.114 25.229 -4.996 696 HD2 ARG 83 1HD ARG 83 -5.072 27.220 -6.412 697 HD3 ARG 83 2HD ARG 83 -6.852 27.213 -6.487 698 HE ARG 83 HE ARG 83 -5.955 27.183 -3.762 699 HH11 ARG 83 1HH1 ARG 83 -6.347 29.413 -6.472 700 HH12 ARG 83 2HH1 ARG 83 -6.515 30.798 -5.428 701 HH21 ARG 83 1HH2 ARG 83 -6.182 28.989 -2.498 702 HH22 ARG 83 2HH2 ARG 83 -6.424 30.559 -3.216 703 H SER 84 H SER 84 -8.311 23.211 -8.217 704 HA SER 84 HA SER 84 -8.127 20.698 -9.388 705 HB2 SER 84 1HB SER 84 -10.008 22.211 -9.723 706 HB3 SER 84 2HB SER 84 -8.987 23.313 -10.670 707 HG SER 84 HG SER 84 -9.517 20.606 -11.363 708 H ARG 85 H ARG 85 -6.127 23.529 -10.257 709 HA ARG 85 HA ARG 85 -5.122 22.297 -12.684 710 HB2 ARG 85 1HB ARG 85 -3.523 24.076 -12.762 711 HB3 ARG 85 2HB ARG 85 -5.096 24.741 -12.332 712 HG2 ARG 85 1HG ARG 85 -4.398 25.448 -10.277 713 HG3 ARG 85 2HG ARG 85 -3.326 24.063 -10.029 714 HD2 ARG 85 1HD ARG 85 -2.746 26.321 -11.974 715 HD3 ARG 85 2HD ARG 85 -2.134 26.269 -10.309 716 HE ARG 85 HE ARG 85 -1.326 23.842 -11.350 717 HH11 ARG 85 1HH1 ARG 85 -0.852 27.174 -12.457 718 HH12 ARG 85 2HH1 ARG 85 0.679 26.794 -13.195 719 HH21 ARG 85 1HH2 ARG 85 0.610 23.454 -12.278 720 HH22 ARG 85 2HH2 ARG 85 1.484 24.716 -13.123 721 H GLN 86 H GLN 86 -4.684 21.406 -9.536 722 HA GLN 86 HA GLN 86 -2.195 19.911 -10.180 723 HB2 GLN 86 1HB GLN 86 -2.792 21.416 -7.594 724 HB3 GLN 86 2HB GLN 86 -1.483 20.254 -7.793 725 HG2 GLN 86 1HG GLN 86 -1.734 22.902 -9.231 726 HG3 GLN 86 2HG GLN 86 -0.666 22.541 -7.879 727 HE21 GLN 86 1HE2 GLN 86 1.265 20.212 -10.067 728 HE22 GLN 86 2HE2 GLN 86 0.303 20.024 -8.620 729 H LYS 87 H LYS 87 -5.006 19.211 -10.359 730 HA LYS 87 HA LYS 87 -6.137 17.970 -8.094 731 HB2 LYS 87 1HB LYS 87 -7.232 18.321 -10.305 732 HB3 LYS 87 2HB LYS 87 -6.233 17.042 -11.001 733 HG2 LYS 87 1HG LYS 87 -7.788 16.260 -8.597 734 HG3 LYS 87 2HG LYS 87 -8.758 16.690 -10.017 735 HD2 LYS 87 1HD LYS 87 -7.709 15.008 -11.371 736 HD3 LYS 87 2HD LYS 87 -6.442 14.729 -10.162 737 HE2 LYS 87 1HE LYS 87 -8.138 13.924 -8.565 738 HE3 LYS 87 2HE LYS 87 -9.394 14.126 -9.800 739 HZ1 LYS 87 1HZ LYS 87 -7.025 12.399 -10.193 740 HZ2 LYS 87 2HZ LYS 87 -8.407 12.423 -11.087 741 HZ3 LYS 87 3HZ LYS 87 -8.443 11.836 -9.541 742 H TYR 88 H TYR 88 -3.455 16.996 -10.008 743 HA TYR 88 HA TYR 88 -3.151 14.274 -9.583 744 HB2 TYR 88 1HB TYR 88 -1.722 15.631 -11.002 745 HB3 TYR 88 2HB TYR 88 -1.181 16.584 -9.623 746 HD1 TYR 88 HD1 TYR 88 -0.792 13.358 -11.408 747 HD2 TYR 88 HD2 TYR 88 0.532 15.747 -8.074 748 HE1 TYR 88 HE1 TYR 88 1.225 11.898 -11.136 749 HE2 TYR 88 HE2 TYR 88 2.518 14.265 -7.806 750 HH TYR 88 HH TYR 88 2.996 11.312 -9.627 751 H ALA 89 H ALA 89 -2.957 16.837 -7.129 752 HA ALA 89 HA ALA 89 -1.230 15.361 -5.382 753 HB1 ALA 89 1HB ALA 89 -3.111 17.699 -4.955 754 HB2 ALA 89 2HB ALA 89 -2.090 17.030 -3.663 755 HB3 ALA 89 3HB ALA 89 -1.345 17.730 -5.120 756 H GLU 90 H GLU 90 -4.840 15.960 -4.959 757 HA GLU 90 HA GLU 90 -4.839 13.828 -2.947 758 HB2 GLU 90 1HB GLU 90 -7.048 15.454 -4.183 759 HB3 GLU 90 2HB GLU 90 -7.366 14.100 -3.086 760 HG2 GLU 90 1HG GLU 90 -5.629 16.503 -2.424 761 HG3 GLU 90 2HG GLU 90 -7.301 16.296 -1.895 762 H GLU 91 H GLU 91 -4.975 13.922 -6.335 763 HA GLU 91 HA GLU 91 -6.256 11.435 -6.871 764 HB2 GLU 91 1HB GLU 91 -5.480 13.105 -8.561 765 HB3 GLU 91 2HB GLU 91 -3.826 12.599 -8.238 766 HG2 GLU 91 1HG GLU 91 -4.366 10.341 -8.989 767 HG3 GLU 91 2HG GLU 91 -6.025 10.851 -9.333 768 H GLU 92 H GLU 92 -3.267 12.221 -5.154 769 HA GLU 92 HA GLU 92 -1.943 9.698 -5.353 770 HB2 GLU 92 1HB GLU 92 -0.849 11.501 -4.217 771 HB3 GLU 92 2HB GLU 92 -2.219 11.715 -3.133 772 HG2 GLU 92 1HG GLU 92 -1.203 9.057 -2.778 773 HG3 GLU 92 2HG GLU 92 0.120 10.224 -2.660 774 H LEU 93 H LEU 93 -4.464 10.843 -3.089 775 HA LEU 93 HA LEU 93 -4.750 8.360 -1.730 776 HB2 LEU 93 1HB LEU 93 -5.509 10.598 -0.923 777 HB3 LEU 93 2HB LEU 93 -6.781 10.580 -2.139 778 HG LEU 93 HG LEU 93 -7.810 8.614 -1.045 779 HD11 LEU 93 1HD1 LEU 93 -5.594 9.011 1.013 780 HD12 LEU 93 2HD1 LEU 93 -5.888 7.566 0.019 781 HD13 LEU 93 3HD1 LEU 93 -7.053 8.022 1.276 782 HD21 LEU 93 1HD2 LEU 93 -8.638 9.849 0.926 783 HD22 LEU 93 2HD2 LEU 93 -8.515 10.907 -0.496 784 HD23 LEU 93 3HD2 LEU 93 -7.282 10.996 0.780 785 H GLU 94 H GLU 94 -6.280 9.694 -4.672 786 HA GLU 94 HA GLU 94 -8.276 7.631 -4.906 787 HB2 GLU 94 1HB GLU 94 -6.883 9.301 -7.023 788 HB3 GLU 94 2HB GLU 94 -8.236 8.220 -7.358 789 HG2 GLU 94 1HG GLU 94 -9.707 9.519 -5.938 790 HG3 GLU 94 2HG GLU 94 -8.359 10.533 -5.397 791 H GLN 95 H GLN 95 -4.933 7.874 -6.223 792 HA GLN 95 HA GLN 95 -5.070 5.318 -7.548 793 HB2 GLN 95 1HB GLN 95 -3.044 7.381 -7.005 794 HB3 GLN 95 2HB GLN 95 -2.393 5.741 -6.977 795 HG2 GLN 95 1HG GLN 95 -2.103 6.352 -9.194 796 HG3 GLN 95 2HG GLN 95 -3.605 5.423 -9.250 797 HE21 GLN 95 1HE2 GLN 95 -3.499 9.161 -10.674 798 HE22 GLN 95 2HE2 GLN 95 -2.105 8.168 -10.314 799 H VAL 96 H VAL 96 -4.017 6.337 -4.283 800 HA VAL 96 HA VAL 96 -2.972 3.801 -3.437 801 HB VAL 96 HB VAL 96 -4.268 6.135 -1.956 802 HG11 VAL 96 1HG1 VAL 96 -3.165 3.573 -0.742 803 HG12 VAL 96 2HG1 VAL 96 -3.397 5.079 0.170 804 HG13 VAL 96 3HG1 VAL 96 -4.793 4.257 -0.550 805 HG21 VAL 96 1HG2 VAL 96 -2.025 6.641 -1.222 806 HG22 VAL 96 2HG2 VAL 96 -1.401 5.110 -1.878 807 HG23 VAL 96 3HG2 VAL 96 -1.958 6.386 -2.973 808 H ARG 97 H ARG 97 -6.268 5.222 -3.351 809 HA ARG 97 HA ARG 97 -7.532 3.036 -2.045 810 HB2 ARG 97 1HB ARG 97 -8.716 5.144 -2.382 811 HB3 ARG 97 2HB ARG 97 -8.594 4.969 -4.135 812 HG2 ARG 97 1HG ARG 97 -9.975 2.921 -4.026 813 HG3 ARG 97 2HG ARG 97 -10.184 3.176 -2.288 814 HD2 ARG 97 1HD ARG 97 -11.428 5.179 -2.671 815 HD3 ARG 97 2HD ARG 97 -10.931 5.227 -4.379 816 HE ARG 97 HE ARG 97 -12.483 3.608 -4.921 817 HH11 ARG 97 1HH1 ARG 97 -12.332 3.817 -1.394 818 HH12 ARG 97 2HH1 ARG 97 -13.729 2.795 -1.181 819 HH21 ARG 97 1HH2 ARG 97 -14.252 2.321 -4.563 820 HH22 ARG 97 2HH2 ARG 97 -14.795 1.965 -2.945 821 H GLU 98 H GLU 98 -6.925 3.584 -5.569 822 HA GLU 98 HA GLU 98 -8.301 1.121 -6.211 823 HB2 GLU 98 1HB GLU 98 -6.394 2.823 -7.822 824 HB3 GLU 98 2HB GLU 98 -7.252 1.409 -8.458 825 HG2 GLU 98 1HG GLU 98 -8.547 3.928 -7.322 826 HG3 GLU 98 2HG GLU 98 -8.450 3.491 -9.032 827 H ALA 99 H ALA 99 -4.910 1.856 -5.402 828 HA ALA 99 HA ALA 99 -3.803 -0.690 -6.144 829 HB1 ALA 99 1HB ALA 99 -2.438 1.279 -5.493 830 HB2 ALA 99 2HB ALA 99 -3.021 1.114 -3.821 831 HB3 ALA 99 3HB ALA 99 -2.034 -0.174 -4.546 832 H LEU 100 H LEU 100 -5.210 0.562 -3.075 833 HA LEU 100 HA LEU 100 -5.087 -1.944 -1.689 834 HB2 LEU 100 1HB LEU 100 -6.894 0.464 -1.326 835 HB3 LEU 100 2HB LEU 100 -6.836 -0.898 -0.207 836 HG LEU 100 HG LEU 100 -4.437 0.848 -0.866 837 HD11 LEU 100 1HD1 LEU 100 -6.211 2.162 0.212 838 HD12 LEU 100 2HD1 LEU 100 -4.831 1.919 1.302 839 HD13 LEU 100 3HD1 LEU 100 -6.316 0.959 1.522 840 HD21 LEU 100 1HD2 LEU 100 -3.499 -0.131 1.211 841 HD22 LEU 100 2HD2 LEU 100 -3.789 -1.355 -0.032 842 HD23 LEU 100 3HD2 LEU 100 -4.920 -1.202 1.337 843 H ARG 101 H ARG 101 -7.503 -0.574 -3.891 844 HA ARG 101 HA ARG 101 -9.558 -2.534 -3.379 845 HB2 ARG 101 1HB ARG 101 -9.803 -0.324 -4.577 846 HB3 ARG 101 2HB ARG 101 -8.957 -1.037 -5.949 847 HG2 ARG 101 1HG ARG 101 -10.769 -2.759 -6.086 848 HG3 ARG 101 2HG ARG 101 -11.646 -1.836 -4.838 849 HD2 ARG 101 1HD ARG 101 -11.486 0.179 -6.276 850 HD3 ARG 101 2HD ARG 101 -10.657 -0.789 -7.508 851 HE ARG 101 HE ARG 101 -13.164 -1.987 -6.828 852 HH11 ARG 101 1HH1 ARG 101 -11.803 0.720 -8.663 853 HH12 ARG 101 2HH1 ARG 101 -13.186 0.793 -9.735 854 HH21 ARG 101 1HH2 ARG 101 -14.876 -1.834 -8.242 855 HH22 ARG 101 2HH2 ARG 101 -14.880 -0.638 -9.511 856 H LYS 102 H LYS 102 -6.724 -2.455 -5.588 857 HA LYS 102 HA LYS 102 -7.443 -4.908 -6.943 858 HB2 LYS 102 1HB LYS 102 -5.662 -3.147 -7.584 859 HB3 LYS 102 2HB LYS 102 -4.611 -3.957 -6.437 860 HG2 LYS 102 1HG LYS 102 -5.915 -5.403 -8.783 861 HG3 LYS 102 2HG LYS 102 -4.357 -4.582 -8.910 862 HD2 LYS 102 1HD LYS 102 -4.126 -6.253 -6.641 863 HD3 LYS 102 2HD LYS 102 -4.951 -7.228 -7.862 864 HE2 LYS 102 1HE LYS 102 -3.138 -6.720 -9.493 865 HE3 LYS 102 2HE LYS 102 -2.329 -5.716 -8.280 866 HZ1 LYS 102 1HZ LYS 102 -2.740 -8.644 -8.119 867 HZ2 LYS 102 2HZ LYS 102 -2.128 -7.743 -6.888 868 HZ3 LYS 102 3HZ LYS 102 -1.298 -7.874 -8.322 869 H ALA 103 H ALA 103 -5.544 -4.133 -3.986 870 HA ALA 103 HA ALA 103 -4.815 -6.844 -3.406 871 HB1 ALA 103 1HB ALA 103 -3.770 -4.863 -2.325 872 HB2 ALA 103 2HB ALA 103 -5.289 -4.534 -1.464 873 HB3 ALA 103 3HB ALA 103 -4.382 -6.022 -1.124 874 H GLU 104 H GLU 104 -7.692 -4.919 -2.538 875 HA GLU 104 HA GLU 104 -8.949 -6.765 -0.784 876 HB2 GLU 104 1HB GLU 104 -9.619 -4.403 -1.147 877 HB3 GLU 104 2HB GLU 104 -10.144 -4.801 -2.775 878 HG2 GLU 104 1HG GLU 104 -11.906 -6.250 -1.881 879 HG3 GLU 104 2HG GLU 104 -11.378 -5.864 -0.230 880 H LYS 105 H LYS 105 -9.122 -6.419 -4.352 881 HA LYS 105 HA LYS 105 -10.997 -8.548 -4.715 882 HB2 LYS 105 1HB LYS 105 -10.323 -6.759 -6.395 883 HB3 LYS 105 2HB LYS 105 -8.835 -7.669 -6.667 884 HG2 LYS 105 1HG LYS 105 -10.393 -8.211 -8.424 885 HG3 LYS 105 2HG LYS 105 -10.224 -9.636 -7.386 886 HD2 LYS 105 1HD LYS 105 -12.384 -7.909 -6.444 887 HD3 LYS 105 2HD LYS 105 -12.617 -8.343 -8.146 888 HE2 LYS 105 1HE LYS 105 -12.464 -10.719 -7.620 889 HE3 LYS 105 2HE LYS 105 -12.029 -10.351 -5.936 890 HZ1 LYS 105 1HZ LYS 105 -14.186 -9.340 -5.628 891 HZ2 LYS 105 2HZ LYS 105 -14.373 -10.894 -6.138 892 HZ3 LYS 105 3HZ LYS 105 -14.616 -9.649 -7.195 893 H GLU 106 H GLU 106 -7.425 -8.493 -4.594 894 HA GLU 106 HA GLU 106 -7.048 -11.243 -5.306 895 HB2 GLU 106 1HB GLU 106 -5.407 -9.358 -3.582 896 HB3 GLU 106 2HB GLU 106 -4.922 -11.014 -3.923 897 HG2 GLU 106 1HG GLU 106 -4.935 -10.516 -6.334 898 HG3 GLU 106 2HG GLU 106 -5.336 -8.834 -5.962 899 H LEU 107 H LEU 107 -7.497 -9.593 -2.146 900 HA LEU 107 HA LEU 107 -7.273 -11.919 -0.534 901 HB2 LEU 107 1HB LEU 107 -7.307 -9.619 0.343 902 HB3 LEU 107 2HB LEU 107 -8.984 -9.440 -0.160 903 HG LEU 107 HG LEU 107 -9.675 -11.178 1.449 904 HD11 LEU 107 1HD1 LEU 107 -7.667 -12.531 1.630 905 HD12 LEU 107 2HD1 LEU 107 -8.049 -11.866 3.225 906 HD13 LEU 107 3HD1 LEU 107 -6.739 -11.149 2.256 907 HD21 LEU 107 1HD2 LEU 107 -9.360 -9.795 3.440 908 HD22 LEU 107 2HD2 LEU 107 -9.698 -8.787 2.020 909 HD23 LEU 107 3HD2 LEU 107 -8.034 -8.915 2.639 910 H GLU 108 H GLU 108 -10.128 -10.519 -2.207 911 HA GLU 108 HA GLU 108 -12.049 -12.341 -1.149 912 HB2 GLU 108 1HB GLU 108 -11.856 -10.993 -3.857 913 HB3 GLU 108 2HB GLU 108 -13.200 -12.032 -3.411 914 HG2 GLU 108 1HG GLU 108 -13.777 -10.521 -1.569 915 HG3 GLU 108 2HG GLU 108 -12.423 -9.464 -2.015 916 H SER 109 H SER 109 -9.989 -12.596 -4.135 917 HA SER 109 HA SER 109 -10.961 -15.180 -4.855 918 HB2 SER 109 1HB SER 109 -8.434 -15.263 -5.814 919 HB3 SER 109 2HB SER 109 -9.758 -14.372 -6.592 920 HG SER 109 HG SER 109 -7.988 -13.240 -4.666 921 H HIS 110 H HIS 110 -8.422 -14.242 -2.544 922 HA HIS 110 HA HIS 110 -7.328 -16.928 -2.333 923 HB2 HIS 110 1HB HIS 110 -7.200 -14.608 -0.360 924 HB3 HIS 110 2HB HIS 110 -6.177 -16.049 -0.340 925 HD1 HIS 110 HD1 HIS 110 -5.902 -15.781 -3.691 926 HD2 HIS 110 HD2 HIS 110 -4.874 -13.054 -0.686 927 HE1 HIS 110 HE1 HIS 110 -4.194 -14.204 -4.666 928 H SER 111 H SER 111 -10.116 -15.315 -1.099 929 HA SER 111 HA SER 111 -10.433 -17.423 1.017 930 HB2 SER 111 1HB SER 111 -12.061 -15.773 1.985 931 HB3 SER 111 2HB SER 111 -10.410 -15.123 1.856 932 HG SER 111 HG SER 111 -10.993 -13.942 0.084 933 H SER 112 H SER 112 -11.429 -16.849 -2.122 934 HA SER 112 HA SER 112 -14.280 -17.112 -1.906 935 HB2 SER 112 1HB SER 112 -12.363 -17.646 -4.187 936 HB3 SER 112 2HB SER 112 -14.131 -17.687 -4.340 937 HG SER 112 HG SER 112 -12.766 -15.440 -3.266 938 H TRP 113 H TRP 113 -12.057 -19.424 -1.153 939 HA TRP 113 HA TRP 113 -12.207 -21.605 -0.609 940 HB2 TRP 113 1HB TRP 113 -14.425 -20.743 0.281 941 HB3 TRP 113 2HB TRP 113 -15.182 -21.550 -1.092 942 HD1 TRP 113 HD1 TRP 113 -15.564 -24.129 -0.858 943 HE1 TRP 113 HE1 TRP 113 -15.034 -25.930 0.836 944 HE3 TRP 113 HE3 TRP 113 -12.552 -21.325 2.179 945 HZ2 TRP 113 HZ2 TRP 113 -13.494 -26.140 3.240 946 HZ3 TRP 113 HZ3 TRP 113 -11.578 -22.405 4.218 947 HH2 TRP 113 HH2 TRP 113 -12.045 -24.797 4.728 948 H TYR 114 H TYR 114 -14.853 -21.815 -2.963 949 HA TYR 114 HA TYR 114 -15.218 -23.223 -4.700 950 HB2 TYR 114 1HB TYR 114 -12.273 -22.800 -5.280 951 HB3 TYR 114 2HB TYR 114 -13.472 -23.428 -6.410 952 HD1 TYR 114 HD1 TYR 114 -11.609 -20.659 -5.974 953 HD2 TYR 114 HD2 TYR 114 -15.788 -21.688 -6.165 954 HE1 TYR 114 HE1 TYR 114 -12.153 -18.350 -6.749 955 HE2 TYR 114 HE2 TYR 114 -16.317 -19.374 -6.913 956 HH TYR 114 HH TYR 114 -15.504 -17.298 -7.381 957 H ALA 115 H ALA 115 -14.265 -24.483 -2.143 958 HA ALA 115 HA ALA 115 -13.728 -27.180 -3.275 959 HB1 ALA 115 1HB ALA 115 -11.583 -26.284 -2.343 960 HB2 ALA 115 2HB ALA 115 -12.397 -25.966 -0.793 961 HB3 ALA 115 3HB ALA 115 -12.200 -27.637 -1.368
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