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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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637436 |
6h8c ![]() ![]() |
34307 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 3.419 -10.494 13.229 2 HA MET 1 HA MET 1 2.170 -10.240 10.556 3 HB2 MET 1 1HB MET 1 4.680 -8.940 11.677 4 HB3 MET 1 2HB MET 1 3.991 -8.668 10.063 5 HG2 MET 1 1HG MET 1 1.890 -7.855 11.193 6 HG3 MET 1 2HG MET 1 2.763 -7.906 12.731 7 HE1 MET 1 1HE MET 1 5.790 -6.889 11.291 8 HE2 MET 1 2HE MET 1 5.669 -5.252 11.951 9 HE3 MET 1 3HE MET 1 5.221 -6.641 12.957 10 H GLY 2 H GLY 2 3.760 -10.589 8.736 11 HA2 GLY 2 1HA GLY 2 6.012 -12.355 9.040 12 HA3 GLY 2 2HA GLY 2 4.565 -13.192 8.425 13 H TRP 3 H TRP 3 6.258 -10.052 8.040 14 HA TRP 3 HA TRP 3 5.300 -9.685 5.330 15 HB2 TRP 3 2HB TRP 3 7.303 -8.189 7.066 16 HB3 TRP 3 3HB TRP 3 6.834 -7.698 5.446 17 HD1 TRP 3 HD1 TRP 3 6.207 -6.519 8.661 18 HE1 TRP 3 1HE TRP 3 3.979 -5.396 8.945 19 HE3 TRP 3 3HE TRP 3 3.860 -8.438 4.528 20 HZ2 TRP 3 2HZ TRP 3 1.326 -5.534 7.668 21 HZ3 TRP 3 3HZ TRP 3 1.525 -8.030 4.140 22 HH2 TRP 3 HH2 TRP 3 0.201 -6.544 5.683 23 H MET 4 H MET 4 6.115 -10.587 3.576 24 HA MET 4 HA MET 4 8.566 -12.063 3.597 25 HB2 MET 4 1HB MET 4 6.862 -11.047 1.304 26 HB3 MET 4 2HB MET 4 8.309 -12.011 1.047 27 HG2 MET 4 1HG MET 4 6.352 -13.094 3.043 28 HG3 MET 4 2HG MET 4 5.831 -13.064 1.373 29 HE1 MET 4 1HE MET 4 8.902 -14.345 3.642 30 HE2 MET 4 2HE MET 4 9.682 -15.429 2.473 31 HE3 MET 4 3HE MET 4 9.700 -13.681 2.188 32 H PHE 5 H PHE 5 7.919 -8.632 2.717 33 HA PHE 5 HA PHE 5 10.492 -8.177 1.580 34 HB2 PHE 5 2HB PHE 5 10.190 -5.785 2.351 35 HB3 PHE 5 3HB PHE 5 8.996 -6.433 1.263 36 HD1 PHE 5 1HD PHE 5 9.577 -5.375 4.813 37 HD2 PHE 5 2HD PHE 5 6.683 -6.516 1.817 38 HE1 PHE 5 1HE PHE 5 7.743 -4.579 6.253 39 HE2 PHE 5 2HE PHE 5 4.853 -5.698 3.273 40 HZ PHE 5 HZ PHE 5 5.384 -4.703 5.489 41 H LYS 6 H LYS 6 9.423 -7.993 4.986 42 HA LYS 6 HA LYS 6 11.944 -7.192 6.068 43 HB2 LYS 6 1HB LYS 6 9.903 -6.860 7.289 44 HB3 LYS 6 2HB LYS 6 9.506 -8.585 7.236 45 HG2 LYS 6 1HG LYS 6 11.208 -9.185 8.745 46 HG3 LYS 6 2HG LYS 6 12.018 -7.618 8.624 47 HD2 LYS 6 1HD LYS 6 10.160 -6.513 9.757 48 HD3 LYS 6 2HD LYS 6 9.203 -8.022 9.721 49 HE2 LYS 6 1HE LYS 6 11.176 -9.075 10.986 50 HE3 LYS 6 2HE LYS 6 11.772 -7.427 11.230 51 HZ1 LYS 6 1HZ LYS 6 10.494 -8.180 13.063 52 HZ2 LYS 6 2HZ LYS 6 9.166 -8.509 12.164 53 HZ3 LYS 6 3HZ LYS 6 9.695 -6.943 12.387 54 H GLU 7 H GLU 7 10.549 -10.362 5.245 55 HA GLU 7 HA GLU 7 12.350 -12.016 6.651 56 HB2 GLU 7 1HB GLU 7 10.148 -12.590 5.369 57 HB3 GLU 7 2HB GLU 7 11.153 -12.638 3.924 58 HG2 GLU 7 1HG GLU 7 11.029 -14.877 4.618 59 HG3 GLU 7 2HG GLU 7 12.622 -14.352 5.154 60 H ASP 8 H ASP 8 12.453 -10.626 3.365 61 HA ASP 8 HA ASP 8 15.111 -11.701 2.798 62 HB2 ASP 8 1HB ASP 8 13.026 -10.088 1.337 63 HB3 ASP 8 2HB ASP 8 14.672 -9.986 0.752 64 H HIS 9 H HIS 9 14.044 -8.309 2.536 65 HA HIS 9 HA HIS 9 16.201 -7.258 4.173 66 HB2 HIS 9 1HB HIS 9 17.141 -5.933 2.195 67 HB3 HIS 9 2HB HIS 9 17.598 -7.620 2.307 68 HD1 HIS 9 HD1 HIS 9 14.280 -7.636 0.762 69 HD2 HIS 9 HD2 HIS 9 18.260 -7.016 -0.397 70 HE1 HIS 9 HE1 HIS 9 14.369 -8.055 -1.771 71 H SER 10 H SER 10 15.575 -5.272 4.924 72 HA SER 10 HA SER 10 13.482 -3.793 3.435 73 HB2 SER 10 1HB SER 10 12.358 -5.104 5.203 74 HB3 SER 10 2HB SER 10 13.322 -4.267 6.424 75 HG SER 10 HG SER 10 12.362 -2.319 5.852 76 H LEU 11 H LEU 11 15.751 -3.567 6.265 77 HA LEU 11 HA LEU 11 15.887 -0.863 6.396 78 HB2 LEU 11 1HB LEU 11 16.956 -2.560 7.899 79 HB3 LEU 11 2HB LEU 11 18.244 -2.761 6.715 80 HG LEU 11 HG LEU 11 18.845 -0.334 7.025 81 HD11 LEU 11 1HD1 LEU 11 16.727 0.604 7.803 82 HD12 LEU 11 2HD1 LEU 11 17.914 0.796 9.093 83 HD13 LEU 11 3HD1 LEU 11 16.699 -0.484 9.201 84 HD21 LEU 11 1HD2 LEU 11 19.901 -0.660 9.210 85 HD22 LEU 11 2HD2 LEU 11 19.952 -2.176 8.295 86 HD23 LEU 11 3HD2 LEU 11 18.769 -1.974 9.596 87 H GLU 12 H GLU 12 18.298 -2.683 4.370 88 HA GLU 12 HA GLU 12 19.448 -0.245 3.318 89 HB2 GLU 12 1HB GLU 12 20.761 -2.225 3.324 90 HB3 GLU 12 2HB GLU 12 19.576 -3.149 2.422 91 HG2 GLU 12 1HG GLU 12 20.970 -0.722 1.211 92 HG3 GLU 12 2HG GLU 12 21.734 -2.304 1.225 93 H HIS 13 H HIS 13 17.471 -2.699 1.782 94 HA HIS 13 HA HIS 13 16.983 -1.535 -0.616 95 HB2 HIS 13 1HB HIS 13 16.500 -3.886 0.422 96 HB3 HIS 13 2HB HIS 13 14.904 -3.236 0.776 97 HD1 HIS 13 HD1 HIS 13 16.083 -5.509 -1.642 98 HD2 HIS 13 HD2 HIS 13 14.308 -1.713 -1.879 99 HE1 HIS 13 HE1 HIS 13 14.827 -5.454 -3.830 100 H ARG 14 H ARG 14 14.901 -1.045 2.321 101 HA ARG 14 HA ARG 14 13.137 0.773 0.892 102 HB2 ARG 14 1HB ARG 14 13.545 0.407 3.887 103 HB3 ARG 14 2HB ARG 14 12.326 1.430 3.142 104 HG2 ARG 14 1HG ARG 14 12.421 -1.602 2.974 105 HG3 ARG 14 2HG ARG 14 11.320 -0.632 3.924 106 HD2 ARG 14 1HD ARG 14 9.973 -1.054 2.119 107 HD3 ARG 14 2HD ARG 14 10.664 0.482 1.633 108 HE ARG 14 HE ARG 14 11.870 -0.579 -0.048 109 HH11 ARG 14 1HH1 ARG 14 10.591 -3.162 2.124 110 HH12 ARG 14 2HH1 ARG 14 11.417 -4.387 1.191 111 HH21 ARG 14 1HH2 ARG 14 12.465 -2.440 -1.427 112 HH22 ARG 14 2HH2 ARG 14 12.391 -3.992 -0.668 113 H CYS 15 H CYS 15 16.029 1.277 3.047 114 HA CYS 15 HA CYS 15 15.766 4.062 3.264 115 HB2 CYS 15 2HB CYS 15 17.350 2.658 4.524 116 HB3 CYS 15 3HB CYS 15 18.274 2.333 3.048 117 HG CYS 15 HG CYS 15 19.519 3.988 4.681 118 H VAL 16 H VAL 16 17.604 2.200 0.834 119 HA VAL 16 HA VAL 16 18.376 4.348 -0.812 120 HB VAL 16 HB VAL 16 17.973 1.363 -1.309 121 HG11 VAL 16 1HG1 VAL 16 19.565 1.664 -3.233 122 HG12 VAL 16 2HG1 VAL 16 17.975 2.385 -3.510 123 HG13 VAL 16 3HG1 VAL 16 19.344 3.427 -3.073 124 HG21 VAL 16 1HG2 VAL 16 19.657 2.023 0.431 125 HG22 VAL 16 2HG2 VAL 16 20.403 1.281 -0.963 126 HG23 VAL 16 3HG2 VAL 16 20.451 3.054 -0.765 127 H GLU 17 H GLU 17 15.522 2.154 -1.148 128 HA GLU 17 HA GLU 17 14.592 3.365 -3.556 129 HB2 GLU 17 1HB GLU 17 13.144 1.904 -1.317 130 HB3 GLU 17 2HB GLU 17 12.339 2.399 -2.805 131 HG2 GLU 17 1HG GLU 17 14.882 0.761 -3.035 132 HG3 GLU 17 2HG GLU 17 13.371 0.017 -2.502 133 H SER 18 H SER 18 13.922 4.126 -0.100 134 HA SER 18 HA SER 18 11.907 6.026 -0.483 135 HB2 SER 18 1HB SER 18 12.665 4.956 1.660 136 HB3 SER 18 2HB SER 18 14.083 6.000 1.650 137 HG SER 18 HG SER 18 12.508 6.755 2.974 138 H ALA 19 H ALA 19 15.510 6.479 -0.356 139 HA ALA 19 HA ALA 19 15.486 9.260 -0.779 140 HB1 ALA 19 1HB ALA 19 17.587 7.204 -1.604 141 HB2 ALA 19 2HB ALA 19 17.842 8.955 -1.488 142 HB3 ALA 19 3HB ALA 19 17.463 8.024 -0.029 143 H LYS 20 H LYS 20 15.840 6.645 -3.260 144 HA LYS 20 HA LYS 20 15.977 8.428 -5.496 145 HB2 LYS 20 1HB LYS 20 14.937 5.566 -5.351 146 HB3 LYS 20 2HB LYS 20 15.246 6.472 -6.844 147 HG2 LYS 20 1HG LYS 20 17.644 6.674 -6.214 148 HG3 LYS 20 2HG LYS 20 17.326 5.667 -4.780 149 HD2 LYS 20 1HD LYS 20 16.433 3.881 -6.293 150 HD3 LYS 20 2HD LYS 20 16.891 4.875 -7.696 151 HE2 LYS 20 1HE LYS 20 19.269 4.822 -6.897 152 HE3 LYS 20 2HE LYS 20 18.771 3.772 -5.563 153 HZ1 LYS 20 1HZ LYS 20 17.976 2.186 -7.252 154 HZ2 LYS 20 2HZ LYS 20 19.620 2.473 -7.365 155 HZ3 LYS 20 3HZ LYS 20 18.586 3.162 -8.442 156 H ILE 21 H ILE 21 13.161 6.752 -4.017 157 HA ILE 21 HA ILE 21 11.242 7.720 -5.869 158 HB ILE 21 HB ILE 21 11.073 6.728 -3.007 159 HG12 ILE 21 1HG1 ILE 21 10.102 5.455 -5.614 160 HG13 ILE 21 2HG1 ILE 21 11.717 5.188 -4.990 161 HG21 ILE 21 1HG2 ILE 21 8.770 7.476 -4.844 162 HG22 ILE 21 2HG2 ILE 21 8.617 6.539 -3.336 163 HG23 ILE 21 3HG2 ILE 21 9.161 8.201 -3.278 164 HD11 ILE 21 1HD1 ILE 21 10.344 3.328 -4.341 165 HD12 ILE 21 2HD1 ILE 21 10.762 4.252 -2.881 166 HD13 ILE 21 3HD1 ILE 21 9.147 4.391 -3.586 167 H ARG 22 H ARG 22 12.501 9.152 -2.788 168 HA ARG 22 HA ARG 22 10.684 11.396 -2.931 169 HB2 ARG 22 1HB ARG 22 13.334 10.965 -1.482 170 HB3 ARG 22 2HB ARG 22 12.477 12.488 -1.409 171 HG2 ARG 22 1HG ARG 22 11.536 9.815 -0.352 172 HG3 ARG 22 2HG ARG 22 11.981 11.235 0.563 173 HD2 ARG 22 1HD ARG 22 9.527 11.015 -1.249 174 HD3 ARG 22 2HD ARG 22 9.563 10.800 0.500 175 HE ARG 22 HE ARG 22 10.692 13.352 -0.359 176 HH11 ARG 22 1HH1 ARG 22 7.590 11.766 0.206 177 HH12 ARG 22 2HH1 ARG 22 6.851 13.082 1.011 178 HH21 ARG 22 1HH2 ARG 22 9.749 15.176 0.632 179 HH22 ARG 22 2HH2 ARG 22 8.219 15.051 1.431 180 H ALA 23 H ALA 23 13.764 10.733 -4.520 181 HA ALA 23 HA ALA 23 14.186 13.515 -5.284 182 HB1 ALA 23 1HB ALA 23 16.061 11.945 -5.203 183 HB2 ALA 23 2HB ALA 23 15.271 10.871 -6.372 184 HB3 ALA 23 3HB ALA 23 15.794 12.467 -6.891 185 H LYS 24 H LYS 24 12.871 10.580 -6.902 186 HA LYS 24 HA LYS 24 12.210 12.054 -9.342 187 HB2 LYS 24 1HB LYS 24 11.415 9.283 -8.338 188 HB3 LYS 24 2HB LYS 24 10.938 9.947 -9.897 189 HG2 LYS 24 1HG LYS 24 13.769 10.338 -9.732 190 HG3 LYS 24 2HG LYS 24 13.473 8.712 -9.119 191 HD2 LYS 24 1HD LYS 24 12.393 9.793 -11.768 192 HD3 LYS 24 2HD LYS 24 13.889 8.865 -11.597 193 HE2 LYS 24 1HE LYS 24 12.670 6.952 -10.682 194 HE3 LYS 24 2HE LYS 24 11.138 7.836 -10.742 195 HZ1 LYS 24 1HZ LYS 24 12.786 7.319 -13.131 196 HZ2 LYS 24 2HZ LYS 24 11.233 7.838 -13.111 197 HZ3 LYS 24 3HZ LYS 24 11.608 6.289 -12.656 198 H TYR 25 H TYR 25 10.255 10.735 -6.653 199 HA TYR 25 HA TYR 25 7.977 12.453 -7.432 200 HB2 TYR 25 2HB TYR 25 7.815 9.700 -6.188 201 HB3 TYR 25 3HB TYR 25 6.537 10.670 -6.910 202 HD1 TYR 25 1HD TYR 25 8.473 7.812 -7.419 203 HD2 TYR 25 2HD TYR 25 7.214 11.369 -9.538 204 HE1 TYR 25 1HE TYR 25 8.776 6.642 -9.545 205 HE2 TYR 25 2HE TYR 25 7.630 10.218 -11.685 206 HH TYR 25 HH TYR 25 8.177 6.768 -11.965 207 HA PRO 26 HA PRO 26 9.432 13.397 -3.057 208 HB2 PRO 26 2HB PRO 26 9.121 16.134 -3.226 209 HB3 PRO 26 3HB PRO 26 10.606 15.293 -3.714 210 HG2 PRO 26 2HG PRO 26 8.331 16.227 -5.458 211 HG3 PRO 26 3HG PRO 26 10.093 16.398 -5.741 212 HD2 PRO 26 2HD PRO 26 8.580 14.442 -6.898 213 HD3 PRO 26 3HD PRO 26 10.292 14.148 -6.412 214 H ASP 27 H ASP 27 6.718 14.125 -5.052 215 HA ASP 27 HA ASP 27 5.014 14.972 -2.804 216 HB2 ASP 27 1HB ASP 27 5.270 16.184 -5.026 217 HB3 ASP 27 2HB ASP 27 4.378 14.856 -5.773 218 H ARG 28 H ARG 28 6.011 12.049 -3.621 219 HA ARG 28 HA ARG 28 3.306 10.832 -3.371 220 HB2 ARG 28 1HB ARG 28 5.624 9.754 -5.041 221 HB3 ARG 28 2HB ARG 28 4.173 8.840 -4.625 222 HG2 ARG 28 1HG ARG 28 2.775 10.521 -5.731 223 HG3 ARG 28 2HG ARG 28 4.189 11.389 -6.270 224 HD2 ARG 28 1HD ARG 28 4.751 9.608 -7.804 225 HD3 ARG 28 2HD ARG 28 3.679 8.472 -6.976 226 HE ARG 28 HE ARG 28 1.956 9.150 -8.224 227 HH11 ARG 28 1HH1 ARG 28 4.283 11.912 -8.356 228 HH12 ARG 28 2HH1 ARG 28 3.408 12.666 -9.639 229 HH21 ARG 28 1HH2 ARG 28 0.792 10.325 -9.860 230 HH22 ARG 28 2HH2 ARG 28 1.432 11.853 -10.367 231 H VAL 29 H VAL 29 3.129 8.982 -2.113 232 HA VAL 29 HA VAL 29 5.330 8.603 -0.203 233 HB VAL 29 HB VAL 29 3.726 8.201 1.471 234 HG11 VAL 29 1HG1 VAL 29 2.825 10.659 -0.076 235 HG12 VAL 29 2HG1 VAL 29 2.706 10.380 1.663 236 HG13 VAL 29 3HG1 VAL 29 4.298 10.559 0.911 237 HG21 VAL 29 1HG2 VAL 29 1.901 7.070 0.208 238 HG22 VAL 29 2HG2 VAL 29 1.303 8.409 1.183 239 HG23 VAL 29 3HG2 VAL 29 1.503 8.628 -0.563 240 HA PRO 30 HA PRO 30 5.505 4.483 -1.951 241 HB2 PRO 30 2HB PRO 30 7.510 3.425 -0.455 242 HB3 PRO 30 3HB PRO 30 7.803 4.770 -1.613 243 HG2 PRO 30 2HG PRO 30 7.406 4.924 1.370 244 HG3 PRO 30 3HG PRO 30 8.634 5.751 0.385 245 HD2 PRO 30 2HD PRO 30 6.239 6.899 1.218 246 HD3 PRO 30 3HD PRO 30 7.121 7.389 -0.258 247 H VAL 31 H VAL 31 3.909 3.037 -1.641 248 HA VAL 31 HA VAL 31 3.439 2.009 1.102 249 HB VAL 31 HB VAL 31 1.466 2.331 -1.180 250 HG11 VAL 31 1HG1 VAL 31 -0.183 1.965 0.779 251 HG12 VAL 31 2HG1 VAL 31 0.787 0.561 0.359 252 HG13 VAL 31 3HG1 VAL 31 1.213 1.542 1.766 253 HG21 VAL 31 1HG2 VAL 31 2.012 4.579 -0.496 254 HG22 VAL 31 2HG2 VAL 31 0.428 4.167 0.162 255 HG23 VAL 31 3HG2 VAL 31 1.852 4.169 1.210 256 H ILE 32 H ILE 32 3.051 -0.150 1.319 257 HA ILE 32 HA ILE 32 3.626 -1.957 -0.967 258 HB ILE 32 HB ILE 32 4.566 -2.157 1.928 259 HG12 ILE 32 1HG1 ILE 32 5.940 -0.579 0.645 260 HG13 ILE 32 2HG1 ILE 32 6.831 -2.027 1.050 261 HG21 ILE 32 1HG2 ILE 32 5.788 -4.203 1.132 262 HG22 ILE 32 2HG2 ILE 32 4.027 -4.384 1.188 263 HG23 ILE 32 3HG2 ILE 32 4.836 -4.139 -0.364 264 HD11 ILE 32 1HD1 ILE 32 6.518 -2.854 -1.304 265 HD12 ILE 32 2HD1 ILE 32 5.668 -1.350 -1.690 266 HD13 ILE 32 3HD1 ILE 32 7.364 -1.303 -1.199 267 H VAL 33 H VAL 33 1.788 -2.936 -1.396 268 HA VAL 33 HA VAL 33 -0.267 -3.299 0.724 269 HB VAL 33 HB VAL 33 -1.905 -3.305 -1.069 270 HG11 VAL 33 1HG1 VAL 33 -0.147 -0.820 -1.337 271 HG12 VAL 33 2HG1 VAL 33 -1.903 -0.940 -1.552 272 HG13 VAL 33 3HG1 VAL 33 -1.200 -1.148 0.055 273 HG21 VAL 33 1HG2 VAL 33 0.352 -2.607 -3.010 274 HG22 VAL 33 2HG2 VAL 33 -0.634 -4.087 -3.018 275 HG23 VAL 33 3HG2 VAL 33 -1.387 -2.533 -3.356 276 H GLU 34 H GLU 34 -0.692 -5.416 1.332 277 HA GLU 34 HA GLU 34 0.217 -7.568 -0.506 278 HB2 GLU 34 1HB GLU 34 0.744 -7.044 2.413 279 HB3 GLU 34 2HB GLU 34 0.590 -8.719 1.881 280 HG2 GLU 34 1HG GLU 34 2.555 -6.716 0.675 281 HG3 GLU 34 2HG GLU 34 2.942 -7.875 1.949 282 H LYS 35 H LYS 35 -1.088 -9.349 -0.597 283 HA LYS 35 HA LYS 35 -3.828 -8.916 0.371 284 HB2 LYS 35 1HB LYS 35 -3.247 -9.618 -1.988 285 HB3 LYS 35 2HB LYS 35 -2.703 -11.166 -1.378 286 HG2 LYS 35 1HG LYS 35 -5.467 -10.183 -0.604 287 HG3 LYS 35 2HG LYS 35 -5.228 -10.723 -2.249 288 HD2 LYS 35 1HD LYS 35 -4.089 -12.637 -0.319 289 HD3 LYS 35 2HD LYS 35 -5.800 -12.300 -0.026 290 HE2 LYS 35 1HE LYS 35 -6.481 -13.106 -2.113 291 HE3 LYS 35 2HE LYS 35 -4.915 -12.808 -2.844 292 HZ1 LYS 35 1HZ LYS 35 -5.703 -15.090 -1.191 293 HZ2 LYS 35 2HZ LYS 35 -4.089 -14.659 -1.352 294 HZ3 LYS 35 3HZ LYS 35 -4.972 -15.045 -2.659 295 H VAL 36 H VAL 36 -4.777 -10.102 1.982 296 HA VAL 36 HA VAL 36 -3.125 -11.547 3.830 297 HB VAL 36 HB VAL 36 -6.091 -10.997 3.549 298 HG11 VAL 36 1HG1 VAL 36 -6.464 -11.884 5.811 299 HG12 VAL 36 2HG1 VAL 36 -5.984 -13.149 4.691 300 HG13 VAL 36 3HG1 VAL 36 -4.806 -12.511 5.860 301 HG21 VAL 36 1HG2 VAL 36 -4.715 -9.094 4.233 302 HG22 VAL 36 2HG2 VAL 36 -5.604 -9.669 5.649 303 HG23 VAL 36 3HG2 VAL 36 -3.892 -10.072 5.464 304 H SER 37 H SER 37 -2.328 -13.499 3.419 305 HA SER 37 HA SER 37 -2.960 -15.222 1.369 306 HB2 SER 37 1HB SER 37 -1.872 -16.914 3.155 307 HB3 SER 37 2HB SER 37 -0.944 -15.719 2.237 308 HG SER 37 HG SER 37 -2.012 -15.297 4.841 309 H GLY 38 H GLY 38 -4.025 -17.200 1.203 310 HA2 GLY 38 1HA GLY 38 -5.597 -18.815 1.676 311 HA3 GLY 38 2HA GLY 38 -5.908 -18.085 3.256 312 H SER 39 H SER 39 -6.330 -15.325 1.743 313 HA SER 39 HA SER 39 -9.147 -15.588 1.556 314 HB2 SER 39 1HB SER 39 -7.541 -13.415 0.204 315 HB3 SER 39 2HB SER 39 -9.228 -13.360 0.712 316 HG SER 39 HG SER 39 -6.910 -13.346 2.337 317 H GLN 40 H GLN 40 -10.560 -15.715 -0.172 318 HA GLN 40 HA GLN 40 -9.775 -17.218 -2.472 319 HB2 GLN 40 1HB GLN 40 -11.926 -17.392 -1.240 320 HB3 GLN 40 2HB GLN 40 -12.388 -15.784 -1.768 321 HG2 GLN 40 1HG GLN 40 -11.765 -18.060 -3.690 322 HG3 GLN 40 2HG GLN 40 -13.367 -17.814 -3.010 323 HE21 GLN 40 1HE2 GLN 40 -13.130 -16.232 -6.443 324 HE22 GLN 40 2HE2 GLN 40 -13.012 -17.828 -5.768 325 H ILE 41 H ILE 41 -10.228 -13.794 -1.857 326 HA ILE 41 HA ILE 41 -10.643 -12.906 -4.496 327 HB ILE 41 HB ILE 41 -11.005 -11.580 -2.454 328 HG12 ILE 41 1HG1 ILE 41 -10.285 -9.419 -3.146 329 HG13 ILE 41 2HG1 ILE 41 -8.996 -10.052 -4.153 330 HG21 ILE 41 1HG2 ILE 41 -9.194 -10.439 -1.267 331 HG22 ILE 41 2HG2 ILE 41 -9.021 -12.193 -1.153 332 HG23 ILE 41 3HG2 ILE 41 -7.987 -11.273 -2.261 333 HD11 ILE 41 1HD1 ILE 41 -11.986 -10.333 -4.731 334 HD12 ILE 41 2HD1 ILE 41 -10.819 -9.275 -5.550 335 HD13 ILE 41 3HD1 ILE 41 -10.709 -11.021 -5.725 336 H VAL 42 H VAL 42 -9.176 -11.754 -5.942 337 HA VAL 42 HA VAL 42 -6.866 -13.237 -6.577 338 HB VAL 42 HB VAL 42 -6.535 -11.505 -8.280 339 HG11 VAL 42 1HG1 VAL 42 -8.217 -13.288 -8.681 340 HG12 VAL 42 2HG1 VAL 42 -9.494 -12.220 -8.051 341 HG13 VAL 42 3HG1 VAL 42 -8.610 -11.780 -9.518 342 HG21 VAL 42 1HG2 VAL 42 -8.032 -9.621 -8.558 343 HG22 VAL 42 2HG2 VAL 42 -8.872 -9.986 -7.042 344 HG23 VAL 42 3HG2 VAL 42 -7.166 -9.481 -7.030 345 H ASP 43 H ASP 43 -4.730 -12.837 -6.229 346 HA ASP 43 HA ASP 43 -3.985 -11.027 -4.042 347 HB2 ASP 43 1HB ASP 43 -1.963 -12.399 -4.067 348 HB3 ASP 43 2HB ASP 43 -3.379 -13.391 -3.848 349 H ILE 44 H ILE 44 -1.532 -10.322 -4.417 350 HA ILE 44 HA ILE 44 -1.276 -9.122 -7.089 351 HB ILE 44 HB ILE 44 -2.277 -7.504 -5.539 352 HG12 ILE 44 1HG1 ILE 44 0.540 -6.552 -6.140 353 HG13 ILE 44 2HG1 ILE 44 -0.586 -6.962 -7.435 354 HG21 ILE 44 1HG2 ILE 44 -1.314 -8.218 -3.393 355 HG22 ILE 44 2HG2 ILE 44 0.302 -7.696 -3.925 356 HG23 ILE 44 3HG2 ILE 44 -0.986 -6.510 -3.685 357 HD11 ILE 44 1HD1 ILE 44 -0.726 -4.613 -7.052 358 HD12 ILE 44 2HD1 ILE 44 -2.236 -5.361 -6.518 359 HD13 ILE 44 3HD1 ILE 44 -1.032 -4.836 -5.317 360 H ASP 45 H ASP 45 0.864 -8.468 -7.567 361 HA ASP 45 HA ASP 45 2.919 -10.452 -6.982 362 HB2 ASP 45 1HB ASP 45 2.845 -7.959 -8.711 363 HB3 ASP 45 2HB ASP 45 4.120 -9.190 -8.744 364 H LYS 46 H LYS 46 5.230 -9.571 -6.581 365 HA LYS 46 HA LYS 46 5.139 -7.766 -4.221 366 HB2 LYS 46 1HB LYS 46 7.221 -9.572 -5.518 367 HB3 LYS 46 2HB LYS 46 7.710 -8.263 -4.425 368 HG2 LYS 46 1HG LYS 46 7.545 -9.905 -2.895 369 HG3 LYS 46 2HG LYS 46 5.933 -9.263 -2.806 370 HD2 LYS 46 1HD LYS 46 5.168 -11.123 -4.365 371 HD3 LYS 46 2HD LYS 46 6.830 -11.742 -4.363 372 HE2 LYS 46 1HE LYS 46 6.676 -11.899 -1.826 373 HE3 LYS 46 2HE LYS 46 4.969 -11.496 -1.960 374 HZ1 LYS 46 1HZ LYS 46 5.598 -13.938 -1.854 375 HZ2 LYS 46 2HZ LYS 46 6.100 -13.822 -3.402 376 HZ3 LYS 46 3HZ LYS 46 4.539 -13.517 -3.022 377 H ARG 47 H ARG 47 4.303 -6.021 -5.492 378 HA ARG 47 HA ARG 47 6.424 -4.554 -6.962 379 HB2 ARG 47 1HB ARG 47 3.529 -4.751 -7.834 380 HB3 ARG 47 2HB ARG 47 4.823 -3.865 -8.652 381 HG2 ARG 47 1HG ARG 47 4.978 -6.885 -8.314 382 HG3 ARG 47 2HG ARG 47 4.037 -6.162 -9.560 383 HD2 ARG 47 1HD ARG 47 7.000 -5.642 -9.250 384 HD3 ARG 47 2HD ARG 47 6.295 -6.917 -10.252 385 HE ARG 47 HE ARG 47 5.003 -4.563 -10.995 386 HH11 ARG 47 1HH1 ARG 47 8.053 -6.306 -11.492 387 HH12 ARG 47 2HH1 ARG 47 8.596 -5.309 -12.794 388 HH21 ARG 47 1HH2 ARG 47 5.561 -3.348 -12.851 389 HH22 ARG 47 2HH2 ARG 47 6.971 -3.785 -13.748 390 H LYS 48 H LYS 48 6.299 -2.319 -6.630 391 HA LYS 48 HA LYS 48 5.003 -1.594 -4.067 392 HB2 LYS 48 1HB LYS 48 6.912 0.104 -5.692 393 HB3 LYS 48 2HB LYS 48 6.561 0.209 -3.973 394 HG2 LYS 48 1HG LYS 48 7.811 -1.848 -3.538 395 HG3 LYS 48 2HG LYS 48 7.961 -2.210 -5.246 396 HD2 LYS 48 1HD LYS 48 10.011 -1.370 -4.569 397 HD3 LYS 48 2HD LYS 48 9.237 -0.259 -5.623 398 HE2 LYS 48 1HE LYS 48 10.285 1.057 -3.920 399 HE3 LYS 48 2HE LYS 48 8.548 1.152 -3.607 400 HZ1 LYS 48 1HZ LYS 48 9.856 0.735 -1.595 401 HZ2 LYS 48 2HZ LYS 48 10.469 -0.643 -2.279 402 HZ3 LYS 48 3HZ LYS 48 8.889 -0.582 -1.900 403 H TYR 49 H TYR 49 3.623 0.087 -3.793 404 HA TYR 49 HA TYR 49 2.452 1.367 -6.213 405 HB2 TYR 49 2HB TYR 49 1.351 0.159 -3.675 406 HB3 TYR 49 3HB TYR 49 0.542 1.560 -4.316 407 HD1 TYR 49 1HD TYR 49 1.943 -1.660 -5.779 408 HD2 TYR 49 2HD TYR 49 -1.322 1.161 -5.608 409 HE1 TYR 49 1HE TYR 49 0.799 -2.896 -7.541 410 HE2 TYR 49 2HE TYR 49 -2.541 -0.153 -7.316 411 HH TYR 49 HH TYR 49 -1.001 -2.932 -8.989 412 H LEU 50 H LEU 50 3.015 3.472 -6.391 413 HA LEU 50 HA LEU 50 3.812 5.031 -3.959 414 HB2 LEU 50 1HB LEU 50 4.433 5.616 -6.878 415 HB3 LEU 50 2HB LEU 50 5.020 6.470 -5.472 416 HG LEU 50 HG LEU 50 5.792 3.700 -6.470 417 HD11 LEU 50 1HD1 LEU 50 6.861 5.564 -7.582 418 HD12 LEU 50 2HD1 LEU 50 8.055 4.813 -6.503 419 HD13 LEU 50 3HD1 LEU 50 7.260 6.318 -6.027 420 HD21 LEU 50 1HD2 LEU 50 6.717 4.943 -3.871 421 HD22 LEU 50 2HD2 LEU 50 7.331 3.448 -4.620 422 HD23 LEU 50 3HD2 LEU 50 5.672 3.510 -4.022 423 H VAL 51 H VAL 51 1.988 6.261 -3.238 424 HA VAL 51 HA VAL 51 0.239 7.345 -5.412 425 HB VAL 51 HB VAL 51 -1.282 7.905 -3.480 426 HG11 VAL 51 1HG1 VAL 51 -1.219 4.983 -4.052 427 HG12 VAL 51 2HG1 VAL 51 -2.581 6.055 -3.779 428 HG13 VAL 51 3HG1 VAL 51 -1.662 6.198 -5.267 429 HG21 VAL 51 1HG2 VAL 51 -0.249 7.591 -1.492 430 HG22 VAL 51 2HG2 VAL 51 -1.273 6.162 -1.612 431 HG23 VAL 51 3HG2 VAL 51 0.474 6.047 -1.923 432 HA PRO 52 HA PRO 52 1.664 11.473 -4.383 433 HB2 PRO 52 2HB PRO 52 -0.428 13.040 -5.170 434 HB3 PRO 52 3HB PRO 52 0.677 12.232 -6.327 435 HG2 PRO 52 2HG PRO 52 -2.018 11.250 -5.358 436 HG3 PRO 52 3HG PRO 52 -1.493 11.391 -7.003 437 HD2 PRO 52 2HD PRO 52 -1.352 9.031 -5.650 438 HD3 PRO 52 3HD PRO 52 0.011 9.489 -6.717 439 H SER 53 H SER 53 1.688 12.708 -2.498 440 HA SER 53 HA SER 53 0.142 11.928 -0.296 441 HB2 SER 53 1HB SER 53 1.252 14.702 -0.498 442 HB3 SER 53 2HB SER 53 1.263 13.602 0.877 443 HG SER 53 HG SER 53 3.120 14.151 -0.804 444 H ASP 54 H ASP 54 -0.701 13.962 -2.911 445 HA ASP 54 HA ASP 54 -2.482 15.818 -1.619 446 HB2 ASP 54 1HB ASP 54 -1.143 15.695 -4.031 447 HB3 ASP 54 2HB ASP 54 -2.794 15.335 -4.520 448 H ILE 55 H ILE 55 -2.898 12.535 -2.947 449 HA ILE 55 HA ILE 55 -5.807 12.878 -3.175 450 HB ILE 55 HB ILE 55 -5.824 10.511 -3.734 451 HG12 ILE 55 1HG1 ILE 55 -3.018 9.911 -3.992 452 HG13 ILE 55 2HG1 ILE 55 -3.313 10.413 -2.337 453 HG21 ILE 55 1HG2 ILE 55 -4.245 10.718 -5.760 454 HG22 ILE 55 2HG2 ILE 55 -5.583 11.862 -5.583 455 HG23 ILE 55 3HG2 ILE 55 -3.930 12.351 -5.188 456 HD11 ILE 55 1HD1 ILE 55 -5.004 8.292 -3.664 457 HD12 ILE 55 2HD1 ILE 55 -3.518 7.968 -2.746 458 HD13 ILE 55 3HD1 ILE 55 -4.883 8.733 -1.945 459 H THR 56 H THR 56 -7.231 11.127 -2.085 460 HA THR 56 HA THR 56 -6.608 11.065 0.809 461 HB THR 56 HB THR 56 -9.143 10.814 0.939 462 HG1 THR 56 1HG THR 56 -9.802 11.950 -1.342 463 HG21 THR 56 1HG2 THR 56 -8.176 12.968 1.429 464 HG22 THR 56 2HG2 THR 56 -9.663 13.191 0.500 465 HG23 THR 56 3HG2 THR 56 -8.089 13.384 -0.304 466 H VAL 57 H VAL 57 -7.436 9.162 1.972 467 HA VAL 57 HA VAL 57 -6.516 6.696 0.986 468 HB VAL 57 HB VAL 57 -8.643 7.389 3.056 469 HG11 VAL 57 1HG1 VAL 57 -8.947 5.026 2.394 470 HG12 VAL 57 2HG1 VAL 57 -7.212 4.730 2.702 471 HG13 VAL 57 3HG1 VAL 57 -8.317 5.174 4.018 472 HG21 VAL 57 1HG2 VAL 57 -6.329 8.251 3.529 473 HG22 VAL 57 2HG2 VAL 57 -6.892 7.066 4.703 474 HG23 VAL 57 3HG2 VAL 57 -5.755 6.576 3.435 475 H ALA 58 H ALA 58 -9.694 8.244 0.734 476 HA ALA 58 HA ALA 58 -11.288 6.217 -0.283 477 HB1 ALA 58 1HB ALA 58 -12.104 8.462 0.339 478 HB2 ALA 58 2HB ALA 58 -11.086 9.205 -0.889 479 HB3 ALA 58 3HB ALA 58 -12.449 8.220 -1.383 480 H GLN 59 H GLN 59 -9.179 8.490 -2.156 481 HA GLN 59 HA GLN 59 -9.860 7.335 -4.701 482 HB2 GLN 59 1HB GLN 59 -7.358 8.880 -3.882 483 HB3 GLN 59 2HB GLN 59 -7.862 8.591 -5.540 484 HG2 GLN 59 1HG GLN 59 -9.477 10.224 -3.540 485 HG3 GLN 59 2HG GLN 59 -8.259 10.892 -4.618 486 HE21 GLN 59 1HE2 GLN 59 -11.143 11.708 -6.551 487 HE22 GLN 59 2HE2 GLN 59 -9.966 12.251 -5.380 488 H PHE 60 H PHE 60 -7.084 6.934 -2.470 489 HA PHE 60 HA PHE 60 -5.586 5.185 -4.061 490 HB2 PHE 60 2HB PHE 60 -4.893 6.270 -1.898 491 HB3 PHE 60 3HB PHE 60 -5.921 5.167 -1.023 492 HD1 PHE 60 1HD PHE 60 -4.012 4.586 0.377 493 HD2 PHE 60 2HD PHE 60 -3.920 3.823 -3.884 494 HE1 PHE 60 1HE PHE 60 -2.034 3.174 0.671 495 HE2 PHE 60 2HE PHE 60 -1.950 2.402 -3.574 496 HZ PHE 60 HZ PHE 60 -1.004 2.027 -1.330 497 H MET 61 H MET 61 -8.035 4.372 -1.582 498 HA MET 61 HA MET 61 -7.975 1.571 -1.952 499 HB2 MET 61 1HB MET 61 -8.942 2.729 0.004 500 HB3 MET 61 2HB MET 61 -10.243 3.365 -1.016 501 HG2 MET 61 1HG MET 61 -10.984 1.034 -1.492 502 HG3 MET 61 2HG MET 61 -9.639 0.416 -0.533 503 HE1 MET 61 1HE MET 61 -12.020 3.510 0.240 504 HE2 MET 61 2HE MET 61 -13.055 2.281 -0.538 505 HE3 MET 61 3HE MET 61 -13.275 2.692 1.175 506 H TRP 62 H TRP 62 -10.182 4.080 -3.468 507 HA TRP 62 HA TRP 62 -11.703 2.184 -4.931 508 HB2 TRP 62 2HB TRP 62 -11.204 5.143 -5.211 509 HB3 TRP 62 3HB TRP 62 -11.962 4.270 -6.528 510 HD1 TRP 62 HD1 TRP 62 -12.552 4.130 -2.709 511 HE1 TRP 62 1HE TRP 62 -15.068 4.160 -2.248 512 HE3 TRP 62 3HE TRP 62 -14.195 4.807 -7.493 513 HZ2 TRP 62 2HZ TRP 62 -17.525 4.418 -3.810 514 HZ3 TRP 62 3HZ TRP 62 -16.611 5.013 -7.981 515 HH2 TRP 62 HH2 TRP 62 -18.287 4.802 -6.145 516 H ILE 63 H ILE 63 -8.677 3.897 -5.851 517 HA ILE 63 HA ILE 63 -8.593 2.777 -8.468 518 HB ILE 63 HB ILE 63 -6.453 3.940 -6.659 519 HG12 ILE 63 1HG1 ILE 63 -7.669 5.188 -9.166 520 HG13 ILE 63 2HG1 ILE 63 -8.478 5.360 -7.620 521 HG21 ILE 63 1HG2 ILE 63 -5.238 2.590 -8.213 522 HG22 ILE 63 2HG2 ILE 63 -6.334 2.995 -9.550 523 HG23 ILE 63 3HG2 ILE 63 -5.224 4.213 -8.933 524 HD11 ILE 63 1HD1 ILE 63 -7.146 7.306 -7.895 525 HD12 ILE 63 2HD1 ILE 63 -6.388 6.335 -6.640 526 HD13 ILE 63 3HD1 ILE 63 -5.692 6.361 -8.279 527 H ILE 64 H ILE 64 -7.194 1.625 -5.308 528 HA ILE 64 HA ILE 64 -5.850 -0.616 -6.372 529 HB ILE 64 HB ILE 64 -7.057 0.034 -3.675 530 HG12 ILE 64 1HG1 ILE 64 -4.191 -0.588 -4.526 531 HG13 ILE 64 2HG1 ILE 64 -4.868 1.037 -4.565 532 HG21 ILE 64 1HG2 ILE 64 -5.663 -2.568 -4.383 533 HG22 ILE 64 2HG2 ILE 64 -6.069 -2.060 -2.740 534 HG23 ILE 64 3HG2 ILE 64 -7.349 -2.425 -3.874 535 HD11 ILE 64 1HD1 ILE 64 -3.555 0.620 -2.524 536 HD12 ILE 64 2HD1 ILE 64 -5.250 1.001 -2.142 537 HD13 ILE 64 3HD1 ILE 64 -4.628 -0.665 -2.042 538 H ARG 65 H ARG 65 -9.313 -0.517 -5.169 539 HA ARG 65 HA ARG 65 -9.742 -3.225 -5.963 540 HB2 ARG 65 1HB ARG 65 -12.140 -2.766 -5.740 541 HB3 ARG 65 2HB ARG 65 -11.200 -2.156 -4.383 542 HG2 ARG 65 1HG ARG 65 -11.347 0.092 -5.190 543 HG3 ARG 65 2HG ARG 65 -12.298 -0.416 -6.598 544 HD2 ARG 65 1HD ARG 65 -13.111 -0.845 -3.681 545 HD3 ARG 65 2HD ARG 65 -13.616 0.542 -4.665 546 HE ARG 65 HE ARG 65 -14.157 -1.907 -6.038 547 HH11 ARG 65 1HH1 ARG 65 -15.493 -0.049 -3.320 548 HH12 ARG 65 2HH1 ARG 65 -17.133 -0.171 -3.881 549 HH21 ARG 65 1HH2 ARG 65 -16.258 -2.312 -6.604 550 HH22 ARG 65 2HH2 ARG 65 -17.596 -1.737 -5.663 551 H LYS 66 H LYS 66 -9.909 -0.258 -7.895 552 HA LYS 66 HA LYS 66 -11.089 -1.599 -10.185 553 HB2 LYS 66 1HB LYS 66 -9.386 0.932 -9.984 554 HB3 LYS 66 2HB LYS 66 -10.236 0.407 -11.420 555 HG2 LYS 66 1HG LYS 66 -12.045 0.534 -9.083 556 HG3 LYS 66 2HG LYS 66 -11.218 2.070 -9.355 557 HD2 LYS 66 1HD LYS 66 -12.699 0.596 -11.546 558 HD3 LYS 66 2HD LYS 66 -13.458 1.796 -10.485 559 HE2 LYS 66 1HE LYS 66 -11.950 3.542 -11.187 560 HE3 LYS 66 2HE LYS 66 -10.927 2.410 -12.069 561 HZ1 LYS 66 1HZ LYS 66 -12.500 2.176 -13.713 562 HZ2 LYS 66 2HZ LYS 66 -12.500 3.775 -13.375 563 HZ3 LYS 66 3HZ LYS 66 -13.742 2.858 -12.827 564 H ARG 67 H ARG 67 -7.733 -1.123 -9.010 565 HA ARG 67 HA ARG 67 -6.406 -1.991 -11.379 566 HB2 ARG 67 1HB ARG 67 -5.652 -1.607 -8.458 567 HB3 ARG 67 2HB ARG 67 -4.555 -2.460 -9.510 568 HG2 ARG 67 1HG ARG 67 -5.560 0.368 -10.044 569 HG3 ARG 67 2HG ARG 67 -4.021 -0.068 -9.283 570 HD2 ARG 67 1HD ARG 67 -3.978 -1.630 -11.561 571 HD3 ARG 67 2HD ARG 67 -4.832 -0.196 -12.144 572 HE ARG 67 HE ARG 67 -2.726 0.910 -10.875 573 HH11 ARG 67 1HH1 ARG 67 -3.010 -1.584 -13.357 574 HH12 ARG 67 2HH1 ARG 67 -1.333 -1.599 -13.787 575 HH21 ARG 67 1HH2 ARG 67 -0.488 1.087 -11.597 576 HH22 ARG 67 2HH2 ARG 67 0.002 0.186 -12.993 577 H ILE 68 H ILE 68 -7.373 -3.771 -8.390 578 HA ILE 68 HA ILE 68 -6.257 -6.233 -9.508 579 HB ILE 68 HB ILE 68 -6.930 -7.314 -7.562 580 HG12 ILE 68 1HG1 ILE 68 -8.712 -4.948 -6.863 581 HG13 ILE 68 2HG1 ILE 68 -9.263 -6.552 -7.416 582 HG21 ILE 68 1HG2 ILE 68 -5.072 -5.614 -7.347 583 HG22 ILE 68 2HG2 ILE 68 -6.228 -4.550 -6.523 584 HG23 ILE 68 3HG2 ILE 68 -5.818 -6.136 -5.842 585 HD11 ILE 68 1HD1 ILE 68 -8.164 -7.613 -5.437 586 HD12 ILE 68 2HD1 ILE 68 -7.912 -5.981 -4.778 587 HD13 ILE 68 3HD1 ILE 68 -9.556 -6.583 -5.082 588 H GLN 69 H GLN 69 -8.980 -4.497 -10.288 589 HA GLN 69 HA GLN 69 -10.841 -4.939 -11.487 590 HB2 GLN 69 1HB GLN 69 -9.970 -7.769 -12.030 591 HB3 GLN 69 2HB GLN 69 -10.854 -6.653 -13.047 592 HG2 GLN 69 1HG GLN 69 -8.941 -6.385 -14.171 593 HG3 GLN 69 2HG GLN 69 -8.319 -5.436 -12.832 594 HE21 GLN 69 1HE2 GLN 69 -7.267 -9.428 -13.168 595 HE22 GLN 69 2HE2 GLN 69 -8.706 -8.826 -14.015 596 H LEU 70 H LEU 70 -11.141 -5.084 -8.785 597 HA LEU 70 HA LEU 70 -12.285 -7.462 -7.746 598 HB2 LEU 70 1HB LEU 70 -11.352 -5.740 -6.330 599 HB3 LEU 70 2HB LEU 70 -12.499 -4.559 -6.901 600 HG LEU 70 HG LEU 70 -12.772 -5.599 -4.510 601 HD11 LEU 70 1HD1 LEU 70 -15.268 -5.448 -6.185 602 HD12 LEU 70 2HD1 LEU 70 -14.423 -4.083 -5.434 603 HD13 LEU 70 3HD1 LEU 70 -15.125 -5.357 -4.436 604 HD21 LEU 70 1HD2 LEU 70 -14.198 -7.774 -5.973 605 HD22 LEU 70 2HD2 LEU 70 -13.972 -7.556 -4.228 606 HD23 LEU 70 3HD2 LEU 70 -12.577 -7.929 -5.248 607 HA PRO 71 HA PRO 71 -16.196 -6.784 -9.989 608 HB2 PRO 71 2HB PRO 71 -17.400 -9.182 -9.400 609 HB3 PRO 71 3HB PRO 71 -16.160 -9.018 -10.681 610 HG2 PRO 71 2HG PRO 71 -15.818 -9.915 -7.833 611 HG3 PRO 71 3HG PRO 71 -15.159 -10.697 -9.304 612 HD2 PRO 71 2HD PRO 71 -13.661 -9.050 -7.725 613 HD3 PRO 71 3HD PRO 71 -13.505 -9.056 -9.498 614 H SER 72 H SER 72 -18.335 -6.191 -9.135 615 HA SER 72 HA SER 72 -18.429 -5.511 -6.388 616 HB2 SER 72 1HB SER 72 -20.706 -5.829 -8.367 617 HB3 SER 72 2HB SER 72 -20.843 -5.066 -6.785 618 HG SER 72 HG SER 72 -20.504 -3.607 -8.470 619 H GLU 73 H GLU 73 -19.049 -8.662 -7.809 620 HA GLU 73 HA GLU 73 -20.883 -9.510 -5.768 621 HB2 GLU 73 1HB GLU 73 -20.228 -11.835 -6.427 622 HB3 GLU 73 2HB GLU 73 -21.000 -10.842 -7.638 623 HG2 GLU 73 1HG GLU 73 -18.057 -10.723 -7.811 624 HG3 GLU 73 2HG GLU 73 -18.667 -12.367 -7.910 625 H LYS 74 H LYS 74 -17.437 -9.051 -5.834 626 HA LYS 74 HA LYS 74 -17.202 -10.431 -3.208 627 HB2 LYS 74 1HB LYS 74 -14.864 -9.596 -4.933 628 HB3 LYS 74 2HB LYS 74 -14.915 -10.726 -3.610 629 HG2 LYS 74 1HG LYS 74 -16.254 -11.172 -6.279 630 HG3 LYS 74 2HG LYS 74 -14.684 -11.800 -5.823 631 HD2 LYS 74 1HD LYS 74 -17.228 -12.416 -4.253 632 HD3 LYS 74 2HD LYS 74 -16.769 -13.265 -5.701 633 HE2 LYS 74 1HE LYS 74 -15.447 -14.620 -4.563 634 HE3 LYS 74 2HE LYS 74 -14.401 -13.266 -4.164 635 HZ1 LYS 74 1HZ LYS 74 -16.803 -13.764 -2.543 636 HZ2 LYS 74 2HZ LYS 74 -15.414 -13.027 -2.124 637 HZ3 LYS 74 3HZ LYS 74 -15.444 -14.672 -2.319 638 H ALA 75 H ALA 75 -15.621 -9.317 -1.696 639 HA ALA 75 HA ALA 75 -16.341 -6.419 -1.474 640 HB1 ALA 75 1HB ALA 75 -17.332 -7.800 0.334 641 HB2 ALA 75 2HB ALA 75 -15.734 -8.487 0.679 642 HB3 ALA 75 3HB ALA 75 -16.056 -6.759 0.973 643 H ILE 76 H ILE 76 -14.614 -5.140 -0.301 644 HA ILE 76 HA ILE 76 -11.936 -6.297 -0.286 645 HB ILE 76 HB ILE 76 -12.028 -5.640 -2.518 646 HG12 ILE 76 1HG1 ILE 76 -10.602 -3.231 -1.447 647 HG13 ILE 76 2HG1 ILE 76 -10.081 -4.810 -0.858 648 HG21 ILE 76 1HG2 ILE 76 -12.635 -3.481 -3.407 649 HG22 ILE 76 2HG2 ILE 76 -13.989 -4.073 -2.471 650 HG23 ILE 76 3HG2 ILE 76 -12.922 -2.822 -1.791 651 HD11 ILE 76 1HD1 ILE 76 -8.828 -4.003 -2.860 652 HD12 ILE 76 2HD1 ILE 76 -9.571 -5.602 -3.026 653 HD13 ILE 76 3HD1 ILE 76 -10.310 -4.193 -3.818 654 H PHE 77 H PHE 77 -11.159 -5.853 1.660 655 HA PHE 77 HA PHE 77 -11.697 -3.171 2.844 656 HB2 PHE 77 2HB PHE 77 -11.356 -5.823 4.304 657 HB3 PHE 77 3HB PHE 77 -11.671 -4.261 5.048 658 HD1 PHE 77 1HD PHE 77 -13.074 -6.863 5.560 659 HD2 PHE 77 2HD PHE 77 -14.040 -3.579 2.938 660 HE1 PHE 77 1HE PHE 77 -15.494 -7.350 5.806 661 HE2 PHE 77 2HE PHE 77 -16.417 -4.246 2.999 662 HZ PHE 77 HZ PHE 77 -17.158 -6.111 4.480 663 H LEU 78 H LEU 78 -9.963 -2.204 3.696 664 HA LEU 78 HA LEU 78 -7.297 -3.476 3.396 665 HB2 LEU 78 1HB LEU 78 -8.269 -0.632 2.895 666 HB3 LEU 78 2HB LEU 78 -6.579 -1.040 3.148 667 HG LEU 78 HG LEU 78 -6.593 -2.538 1.202 668 HD11 LEU 78 1HD1 LEU 78 -8.822 -3.270 0.842 669 HD12 LEU 78 2HD1 LEU 78 -8.383 -2.298 -0.531 670 HD13 LEU 78 3HD1 LEU 78 -9.441 -1.598 0.725 671 HD21 LEU 78 1HD2 LEU 78 -6.601 -0.753 -0.484 672 HD22 LEU 78 2HD2 LEU 78 -5.966 -0.143 1.040 673 HD23 LEU 78 3HD2 LEU 78 -7.612 0.270 0.570 674 H PHE 79 H PHE 79 -5.829 -3.027 5.110 675 HA PHE 79 HA PHE 79 -6.878 -1.626 7.516 676 HB2 PHE 79 2HB PHE 79 -5.673 -4.427 7.460 677 HB3 PHE 79 3HB PHE 79 -6.082 -3.512 8.905 678 HD1 PHE 79 1HD PHE 79 -7.489 -5.231 5.927 679 HD2 PHE 79 2HD PHE 79 -8.371 -3.315 9.653 680 HE1 PHE 79 1HE PHE 79 -9.772 -6.202 5.868 681 HE2 PHE 79 2HE PHE 79 -10.681 -4.226 9.597 682 HZ PHE 79 HZ PHE 79 -11.387 -5.672 7.682 683 H VAL 80 H VAL 80 -5.334 -0.386 8.479 684 HA VAL 80 HA VAL 80 -2.463 -0.863 7.947 685 HB VAL 80 HB VAL 80 -3.595 0.753 6.381 686 HG11 VAL 80 1HG1 VAL 80 -3.735 2.611 8.754 687 HG12 VAL 80 2HG1 VAL 80 -4.031 3.020 7.066 688 HG13 VAL 80 3HG1 VAL 80 -5.115 1.892 7.921 689 HG21 VAL 80 1HG2 VAL 80 -1.373 1.944 8.082 690 HG22 VAL 80 2HG2 VAL 80 -1.125 0.736 6.812 691 HG23 VAL 80 3HG2 VAL 80 -1.739 2.350 6.404 692 H ASP 81 H ASP 81 -1.206 -0.149 9.773 693 HA ASP 81 HA ASP 81 -0.900 -0.152 12.038 694 HB2 ASP 81 1HB ASP 81 -0.818 2.185 11.283 695 HB3 ASP 81 2HB ASP 81 -2.531 2.377 11.683 696 H LYS 82 H LYS 82 -3.075 -1.832 11.433 697 HA LYS 82 HA LYS 82 -4.814 -2.996 12.355 698 HB2 LYS 82 1HB LYS 82 -3.892 -1.957 15.058 699 HB3 LYS 82 2HB LYS 82 -4.872 -3.370 14.717 700 HG2 LYS 82 1HG LYS 82 -2.792 -4.257 15.184 701 HG3 LYS 82 2HG LYS 82 -2.873 -4.340 13.434 702 HD2 LYS 82 1HD LYS 82 -1.242 -2.707 13.138 703 HD3 LYS 82 2HD LYS 82 -1.595 -1.884 14.662 704 HE2 LYS 82 1HE LYS 82 -0.374 -4.650 14.578 705 HE3 LYS 82 2HE LYS 82 0.612 -3.184 14.451 706 HZ1 LYS 82 1HZ LYS 82 -0.083 -2.481 16.553 707 HZ2 LYS 82 2HZ LYS 82 0.402 -4.019 16.734 708 HZ3 LYS 82 3HZ LYS 82 -1.211 -3.688 16.722 709 H THR 83 H THR 83 -5.514 -0.423 11.251 710 HA THR 83 HA THR 83 -8.008 -0.039 12.682 711 HB THR 83 HB THR 83 -6.455 1.536 13.763 712 HG1 THR 83 1HG THR 83 -8.054 2.762 13.908 713 HG21 THR 83 1HG2 THR 83 -6.098 2.813 11.018 714 HG22 THR 83 2HG2 THR 83 -4.844 2.072 12.034 715 HG23 THR 83 3HG2 THR 83 -5.636 3.544 12.572 716 H VAL 84 H VAL 84 -9.406 1.402 11.269 717 HA VAL 84 HA VAL 84 -9.089 0.495 8.457 718 HB VAL 84 HB VAL 84 -11.157 -0.205 9.386 719 HG11 VAL 84 1HG1 VAL 84 -11.466 1.427 11.242 720 HG12 VAL 84 2HG1 VAL 84 -11.918 2.662 10.054 721 HG13 VAL 84 3HG1 VAL 84 -12.913 1.216 10.250 722 HG21 VAL 84 1HG2 VAL 84 -11.102 0.596 7.038 723 HG22 VAL 84 2HG2 VAL 84 -12.708 0.741 7.779 724 HG23 VAL 84 3HG2 VAL 84 -11.691 2.179 7.577 725 HA PRO 85 HA PRO 85 -7.635 4.780 8.318 726 HB2 PRO 85 2HB PRO 85 -6.874 4.945 5.711 727 HB3 PRO 85 3HB PRO 85 -5.925 4.103 6.956 728 HG2 PRO 85 2HG PRO 85 -7.846 2.919 4.943 729 HG3 PRO 85 3HG PRO 85 -6.224 2.304 5.390 730 HD2 PRO 85 2HD PRO 85 -8.595 1.316 6.405 731 HD3 PRO 85 3HD PRO 85 -7.083 1.315 7.349 732 H GLN 86 H GLN 86 -9.079 6.417 8.258 733 HA GLN 86 HA GLN 86 -11.636 6.101 7.115 734 HB2 GLN 86 1HB GLN 86 -11.369 7.473 9.041 735 HB3 GLN 86 2HB GLN 86 -10.182 8.523 8.250 736 HG2 GLN 86 1HG GLN 86 -11.769 9.651 7.011 737 HG3 GLN 86 2HG GLN 86 -12.842 8.273 6.915 738 HE21 GLN 86 1HE2 GLN 86 -13.596 11.122 9.616 739 HE22 GLN 86 2HE2 GLN 86 -12.278 11.207 8.452 740 H SER 87 H SER 87 -12.315 6.369 5.103 741 HA SER 87 HA SER 87 -10.856 6.766 2.854 742 HB2 SER 87 1HB SER 87 -13.761 7.386 3.484 743 HB3 SER 87 2HB SER 87 -13.128 7.466 1.846 744 HG SER 87 HG SER 87 -14.084 5.387 2.685 745 H SER 88 H SER 88 -12.479 9.600 4.578 746 HA SER 88 HA SER 88 -11.396 11.363 2.550 747 HB2 SER 88 1HB SER 88 -12.826 11.850 5.178 748 HB3 SER 88 2HB SER 88 -12.273 13.136 4.081 749 HG SER 88 HG SER 88 -13.552 12.492 2.524 750 H LEU 89 H LEU 89 -9.588 9.815 5.019 751 HA LEU 89 HA LEU 89 -8.136 12.126 5.916 752 HB2 LEU 89 1HB LEU 89 -8.330 9.884 7.087 753 HB3 LEU 89 2HB LEU 89 -7.320 9.194 5.818 754 HG LEU 89 HG LEU 89 -5.429 10.628 6.423 755 HD11 LEU 89 1HD1 LEU 89 -7.220 11.724 8.640 756 HD12 LEU 89 2HD1 LEU 89 -6.539 12.650 7.278 757 HD13 LEU 89 3HD1 LEU 89 -5.469 11.990 8.501 758 HD21 LEU 89 1HD2 LEU 89 -4.886 9.606 8.558 759 HD22 LEU 89 2HD2 LEU 89 -5.805 8.443 7.596 760 HD23 LEU 89 3HD2 LEU 89 -6.609 9.307 8.911 761 H THR 90 H THR 90 -6.126 12.967 5.009 762 HA THR 90 HA THR 90 -5.826 12.400 2.160 763 HB THR 90 HB THR 90 -4.333 14.426 2.313 764 HG1 THR 90 1HG THR 90 -5.166 15.628 4.364 765 HG21 THR 90 1HG2 THR 90 -6.246 16.000 2.620 766 HG22 THR 90 2HG2 THR 90 -7.246 14.664 3.221 767 HG23 THR 90 3HG2 THR 90 -6.619 14.648 1.554 768 H MET 91 H MET 91 -3.790 11.851 1.186 769 HA MET 91 HA MET 91 -2.496 9.798 2.601 770 HB2 MET 91 1HB MET 91 -2.094 11.162 -0.061 771 HB3 MET 91 2HB MET 91 -0.755 10.189 0.549 772 HG2 MET 91 1HG MET 91 -3.588 9.197 0.143 773 HG3 MET 91 2HG MET 91 -2.212 8.912 -0.923 774 HE1 MET 91 1HE MET 91 -4.340 6.939 0.851 775 HE2 MET 91 2HE MET 91 -3.571 6.206 2.282 776 HE3 MET 91 3HE MET 91 -4.050 7.923 2.308 777 H GLY 92 H GLY 92 -1.401 13.184 2.086 778 HA2 GLY 92 1HA GLY 92 1.217 12.798 3.113 779 HA3 GLY 92 2HA GLY 92 0.294 14.313 3.191 780 H GLN 93 H GLN 93 -1.847 13.649 4.810 781 HA GLN 93 HA GLN 93 -0.775 13.849 7.400 782 HB2 GLN 93 1HB GLN 93 -3.549 13.255 6.275 783 HB3 GLN 93 2HB GLN 93 -3.225 13.245 7.998 784 HG2 GLN 93 1HG GLN 93 -2.389 15.574 7.886 785 HG3 GLN 93 2HG GLN 93 -2.752 15.608 6.155 786 HE21 GLN 93 1HE2 GLN 93 -5.738 17.213 7.384 787 HE22 GLN 93 2HE2 GLN 93 -4.151 17.512 6.720 788 H LEU 94 H LEU 94 -2.317 11.096 5.709 789 HA LEU 94 HA LEU 94 -2.117 9.276 7.884 790 HB2 LEU 94 1HB LEU 94 -3.677 8.934 6.182 791 HB3 LEU 94 2HB LEU 94 -2.471 8.824 4.902 792 HG LEU 94 HG LEU 94 -2.429 6.932 7.281 793 HD11 LEU 94 1HD1 LEU 94 -4.077 6.454 4.786 794 HD12 LEU 94 2HD1 LEU 94 -4.759 6.898 6.370 795 HD13 LEU 94 3HD1 LEU 94 -3.896 5.367 6.177 796 HD21 LEU 94 1HD2 LEU 94 -1.608 5.296 5.602 797 HD22 LEU 94 2HD2 LEU 94 -0.528 6.653 5.708 798 HD23 LEU 94 3HD2 LEU 94 -1.653 6.550 4.334 799 H TYR 95 H TYR 95 0.106 9.744 5.071 800 HA TYR 95 HA TYR 95 1.867 7.661 5.863 801 HB2 TYR 95 2HB TYR 95 1.952 8.551 3.611 802 HB3 TYR 95 3HB TYR 95 2.321 10.170 4.199 803 HD1 TYR 95 1HD TYR 95 3.865 6.846 5.183 804 HD2 TYR 95 2HD TYR 95 4.441 10.735 3.400 805 HE1 TYR 95 1HE TYR 95 6.295 6.422 5.046 806 HE2 TYR 95 2HE TYR 95 6.857 10.304 3.210 807 HH TYR 95 HH TYR 95 8.538 8.182 3.257 808 H GLU 96 H GLU 96 1.901 11.286 6.606 809 HA GLU 96 HA GLU 96 4.296 10.969 8.138 810 HB2 GLU 96 1HB GLU 96 2.263 13.206 8.048 811 HB3 GLU 96 2HB GLU 96 3.701 13.231 9.092 812 HG2 GLU 96 1HG GLU 96 5.131 12.761 7.070 813 HG3 GLU 96 2HG GLU 96 3.711 12.962 6.050 814 H LYS 97 H LYS 97 0.954 10.295 8.994 815 HA LYS 97 HA LYS 97 1.741 10.089 11.825 816 HB2 LYS 97 1HB LYS 97 -0.465 9.953 12.464 817 HB3 LYS 97 2HB LYS 97 -0.422 11.160 11.206 818 HG2 LYS 97 1HG LYS 97 -2.252 10.062 10.432 819 HG3 LYS 97 2HG LYS 97 -1.057 9.002 9.737 820 HD2 LYS 97 1HD LYS 97 -2.421 7.456 10.700 821 HD3 LYS 97 2HD LYS 97 -1.296 7.690 12.032 822 HE2 LYS 97 1HE LYS 97 -3.482 7.565 12.902 823 HE3 LYS 97 2HE LYS 97 -3.061 9.278 12.984 824 HZ1 LYS 97 1HZ LYS 97 -5.328 8.645 12.037 825 HZ2 LYS 97 2HZ LYS 97 -4.565 8.053 10.740 826 HZ3 LYS 97 3HZ LYS 97 -4.442 9.678 11.103 827 H GLU 98 H GLU 98 1.361 7.889 9.094 828 HA GLU 98 HA GLU 98 1.646 5.623 11.034 829 HB2 GLU 98 1HB GLU 98 0.660 5.567 8.172 830 HB3 GLU 98 2HB GLU 98 0.663 4.211 9.326 831 HG2 GLU 98 1HG GLU 98 -0.776 5.791 10.816 832 HG3 GLU 98 2HG GLU 98 -0.981 6.740 9.331 833 H LYS 99 H LYS 99 3.686 7.422 9.169 834 HA LYS 99 HA LYS 99 5.223 5.783 7.617 835 HB2 LYS 99 1HB LYS 99 7.175 7.244 8.193 836 HB3 LYS 99 2HB LYS 99 5.737 8.123 7.729 837 HG2 LYS 99 1HG LYS 99 5.273 8.426 10.264 838 HG3 LYS 99 2HG LYS 99 6.917 7.818 10.526 839 HD2 LYS 99 1HD LYS 99 7.797 9.678 9.106 840 HD3 LYS 99 2HD LYS 99 6.145 10.252 8.886 841 HE2 LYS 99 1HE LYS 99 6.723 11.600 10.631 842 HE3 LYS 99 2HE LYS 99 6.066 10.242 11.534 843 HZ1 LYS 99 1HZ LYS 99 8.939 10.720 10.958 844 HZ2 LYS 99 2HZ LYS 99 8.372 9.443 11.818 845 HZ3 LYS 99 3HZ LYS 99 8.180 10.942 12.414 846 H ASP 100 H ASP 100 6.328 3.950 7.855 847 HA ASP 100 HA ASP 100 6.873 2.944 10.550 848 HB2 ASP 100 1HB ASP 100 6.084 1.598 8.478 849 HB3 ASP 100 2HB ASP 100 7.760 1.712 7.922 850 H GLU 101 H GLU 101 9.169 2.029 10.863 851 HA GLU 101 HA GLU 101 11.080 4.048 11.069 852 HB2 GLU 101 1HB GLU 101 12.658 2.197 11.569 853 HB3 GLU 101 2HB GLU 101 11.133 2.001 12.422 854 HG2 GLU 101 1HG GLU 101 10.391 0.256 10.927 855 HG3 GLU 101 2HG GLU 101 11.666 0.589 9.764 856 H ASP 102 H ASP 102 10.388 2.136 8.315 857 HA ASP 102 HA ASP 102 12.941 2.815 6.958 858 HB2 ASP 102 1HB ASP 102 10.937 0.596 6.770 859 HB3 ASP 102 2HB ASP 102 11.739 1.072 5.299 860 H GLY 103 H GLY 103 10.292 4.521 7.385 861 HA2 GLY 103 1HA GLY 103 9.370 6.246 6.187 862 HA3 GLY 103 2HA GLY 103 10.681 6.110 5.025 863 H PHE 104 H PHE 104 8.284 3.538 5.762 864 HA PHE 104 HA PHE 104 7.025 3.988 3.151 865 HB2 PHE 104 2HB PHE 104 7.270 1.857 2.335 866 HB3 PHE 104 3HB PHE 104 8.857 2.123 3.027 867 HD1 PHE 104 1HD PHE 104 6.127 -0.127 2.860 868 HD2 PHE 104 2HD PHE 104 9.145 1.343 5.562 869 HE1 PHE 104 1HE PHE 104 5.903 -2.169 4.210 870 HE2 PHE 104 2HE PHE 104 8.854 -0.687 6.971 871 HZ PHE 104 HZ PHE 104 7.228 -2.411 6.333 872 H LEU 105 H LEU 105 5.028 2.478 3.037 873 HA LEU 105 HA LEU 105 3.691 2.452 5.720 874 HB2 LEU 105 1HB LEU 105 3.003 4.363 4.207 875 HB3 LEU 105 2HB LEU 105 2.509 3.154 3.023 876 HG LEU 105 HG LEU 105 0.982 2.239 4.950 877 HD11 LEU 105 1HD1 LEU 105 0.256 3.906 6.565 878 HD12 LEU 105 2HD1 LEU 105 1.464 5.057 5.959 879 HD13 LEU 105 3HD1 LEU 105 1.976 3.566 6.773 880 HD21 LEU 105 1HD2 LEU 105 0.164 3.324 2.881 881 HD22 LEU 105 2HD2 LEU 105 0.338 4.910 3.663 882 HD23 LEU 105 3HD2 LEU 105 -0.819 3.703 4.289 883 H TYR 106 H TYR 106 2.965 0.407 6.244 884 HA TYR 106 HA TYR 106 2.855 -1.670 4.125 885 HB2 TYR 106 2HB TYR 106 3.012 -3.259 6.002 886 HB3 TYR 106 3HB TYR 106 4.408 -2.223 5.864 887 HD1 TYR 106 1HD TYR 106 4.894 -0.437 7.555 888 HD2 TYR 106 2HD TYR 106 1.619 -3.216 8.001 889 HE1 TYR 106 1HE TYR 106 4.651 0.228 9.920 890 HE2 TYR 106 2HE TYR 106 1.423 -2.599 10.396 891 HH TYR 106 HH TYR 106 3.457 -0.021 11.859 892 H VAL 107 H VAL 107 0.833 -2.225 3.427 893 HA VAL 107 HA VAL 107 -1.447 -1.950 5.333 894 HB VAL 107 HB VAL 107 -1.595 -1.426 2.338 895 HG11 VAL 107 1HG1 VAL 107 -3.752 -0.338 2.918 896 HG12 VAL 107 2HG1 VAL 107 -3.744 -2.033 3.398 897 HG13 VAL 107 3HG1 VAL 107 -3.510 -0.765 4.615 898 HG21 VAL 107 1HG2 VAL 107 -1.362 0.681 4.520 899 HG22 VAL 107 2HG2 VAL 107 -0.175 0.359 3.246 900 HG23 VAL 107 3HG2 VAL 107 -1.767 0.990 2.821 901 H ALA 108 H ALA 108 -3.004 -3.598 5.157 902 HA ALA 108 HA ALA 108 -2.285 -5.992 3.531 903 HB1 ALA 108 1HB ALA 108 -3.297 -7.307 5.346 904 HB2 ALA 108 2HB ALA 108 -1.985 -6.313 6.005 905 HB3 ALA 108 3HB ALA 108 -3.673 -5.826 6.248 906 H TYR 109 H TYR 109 -4.135 -7.043 2.522 907 HA TYR 109 HA TYR 109 -6.731 -5.693 2.871 908 HB2 TYR 109 2HB TYR 109 -7.128 -5.249 0.652 909 HB3 TYR 109 3HB TYR 109 -5.484 -4.707 0.865 910 HD1 TYR 109 1HD TYR 109 -7.630 -7.409 -0.545 911 HD2 TYR 109 2HD TYR 109 -3.700 -5.662 -0.488 912 HE1 TYR 109 1HE TYR 109 -7.101 -8.587 -2.663 913 HE2 TYR 109 2HE TYR 109 -3.148 -6.843 -2.590 914 HH TYR 109 HH TYR 109 -5.447 -9.046 -4.273 915 H SER 110 H SER 110 -8.527 -6.972 2.560 916 HA SER 110 HA SER 110 -8.117 -9.803 1.760 917 HB2 SER 110 1HB SER 110 -9.439 -10.493 3.786 918 HB3 SER 110 2HB SER 110 -7.851 -9.830 4.176 919 HG SER 110 HG SER 110 -9.723 -9.024 5.458 920 H GLY 111 H GLY 111 -10.165 -10.912 1.385 921 HA2 GLY 111 1HA GLY 111 -12.388 -9.146 0.480 922 HA3 GLY 111 2HA GLY 111 -11.858 -10.677 -0.273 923 H GLU 112 H GLU 112 -11.594 -10.750 3.184 924 HA GLU 112 HA GLU 112 -14.162 -12.147 3.463 925 HB2 GLU 112 1HB GLU 112 -13.098 -13.749 4.950 926 HB3 GLU 112 2HB GLU 112 -12.489 -13.844 3.305 927 HG2 GLU 112 1HG GLU 112 -10.424 -12.621 4.026 928 HG3 GLU 112 2HG GLU 112 -11.034 -12.615 5.688 929 H ASN 113 H ASN 113 -15.344 -11.368 4.981 930 HA ASN 113 HA ASN 113 -14.526 -9.062 6.543 931 HB2 ASN 113 1HB ASN 113 -16.849 -9.253 5.795 932 HB3 ASN 113 2HB ASN 113 -17.022 -10.778 6.654 933 HD21 ASN 113 1HD2 ASN 113 -18.146 -9.231 9.601 934 HD22 ASN 113 2HD2 ASN 113 -18.319 -10.503 8.424 935 H THR 114 H THR 114 -14.338 -12.490 7.093 936 HA THR 114 HA THR 114 -13.467 -12.085 9.895 937 HB THR 114 HB THR 114 -14.495 -14.512 10.026 938 HG1 THR 114 1HG THR 114 -15.451 -14.986 8.198 939 HG21 THR 114 1HG2 THR 114 -16.210 -11.974 9.985 940 HG22 THR 114 2HG2 THR 114 -15.268 -12.598 11.361 941 HG23 THR 114 3HG2 THR 114 -16.663 -13.505 10.750 942 H PHE 115 H PHE 115 -11.313 -12.400 9.820 943 HA PHE 115 HA PHE 115 -10.149 -14.080 7.727 944 HB2 PHE 115 2HB PHE 115 -8.012 -13.222 8.520 945 HB3 PHE 115 3HB PHE 115 -9.147 -11.946 8.187 946 HD1 PHE 115 1HD PHE 115 -7.353 -13.752 10.922 947 HD2 PHE 115 2HD PHE 115 -9.952 -10.456 9.918 948 HE1 PHE 115 1HE PHE 115 -6.971 -12.755 13.157 949 HE2 PHE 115 2HE PHE 115 -9.602 -9.497 12.181 950 HZ PHE 115 HZ PHE 115 -8.098 -10.639 13.794 951 H GLY 116 H GLY 116 -11.653 -15.137 10.396 952 HA2 GLY 116 1HA GLY 116 -10.187 -17.593 10.544 953 HA3 GLY 116 2HA GLY 116 -10.069 -16.621 12.027 954 H1 GLY 330 H GLY 330 24.877 -8.322 8.192 955 HA2 GLY 330 1HA GLY 330 22.447 -8.659 8.082 956 HA3 GLY 330 2HA GLY 330 22.271 -7.057 8.818 957 H ALA 331 H ALA 331 23.505 -8.762 5.921 958 HA ALA 331 HA ALA 331 22.639 -6.525 4.228 959 HB1 ALA 331 1HB ALA 331 24.926 -5.876 4.530 960 HB2 ALA 331 2HB ALA 331 25.509 -7.540 4.238 961 HB3 ALA 331 3HB ALA 331 24.766 -6.607 2.932 962 H MET 332 H MET 332 21.018 -7.864 3.488 963 HA MET 332 HA MET 332 21.758 -10.476 2.258 964 HB2 MET 332 1HB MET 332 19.099 -9.310 3.161 965 HB3 MET 332 2HB MET 332 19.271 -10.821 2.240 966 HG2 MET 332 1HG MET 332 20.840 -11.673 3.969 967 HG3 MET 332 2HG MET 332 20.610 -10.207 4.914 968 HE1 MET 332 1HE MET 332 20.359 -11.682 6.957 969 HE2 MET 332 2HE MET 332 19.064 -12.872 7.211 970 HE3 MET 332 3HE MET 332 20.370 -13.228 6.074 971 H GLU 333 H GLU 333 22.984 -9.176 0.796 972 HA GLU 333 HA GLU 333 21.426 -7.841 -1.373 973 HB2 GLU 333 1HB GLU 333 24.359 -7.552 -0.581 974 HB3 GLU 333 2HB GLU 333 23.541 -6.703 -1.903 975 HG2 GLU 333 1HG GLU 333 22.108 -5.520 -0.289 976 HG3 GLU 333 2HG GLU 333 22.854 -6.390 1.050 977 H ILE 334 H ILE 334 21.190 -10.550 -1.497 978 HA ILE 334 HA ILE 334 23.418 -11.662 -3.084 979 HB ILE 334 HB ILE 334 22.310 -13.784 -2.957 980 HG12 ILE 334 1HG1 ILE 334 20.182 -12.519 -1.175 981 HG13 ILE 334 2HG1 ILE 334 19.922 -12.934 -2.868 982 HG21 ILE 334 1HG2 ILE 334 23.902 -12.948 -1.212 983 HG22 ILE 334 2HG2 ILE 334 22.531 -12.451 -0.218 984 HG23 ILE 334 3HG2 ILE 334 22.788 -14.170 -0.600 985 HD11 ILE 334 1HD1 ILE 334 20.418 -15.301 -2.427 986 HD12 ILE 334 2HD1 ILE 334 20.660 -14.941 -0.700 987 HD13 ILE 334 3HD1 ILE 334 19.075 -14.707 -1.439 988 H ILE 335 H ILE 335 23.145 -12.552 -5.222 989 HA ILE 335 HA ILE 335 21.596 -10.883 -6.927 990 HB ILE 335 HB ILE 335 22.420 -12.249 -8.749 991 HG12 ILE 335 1HG1 ILE 335 23.366 -14.214 -6.621 992 HG13 ILE 335 2HG1 ILE 335 22.187 -14.499 -7.898 993 HG21 ILE 335 1HG2 ILE 335 24.673 -11.685 -8.578 994 HG22 ILE 335 2HG2 ILE 335 23.883 -10.570 -7.462 995 HG23 ILE 335 3HG2 ILE 335 24.744 -11.992 -6.837 996 HD11 ILE 335 1HD1 ILE 335 24.225 -15.575 -8.500 997 HD12 ILE 335 2HD1 ILE 335 23.958 -14.219 -9.611 998 HD13 ILE 335 3HD1 ILE 335 25.161 -14.085 -8.302 999 H HIS 336 H HIS 336 20.831 -14.111 -5.638 1000 HA HIS 336 HA HIS 336 18.656 -14.525 -7.551 1001 HB2 HIS 336 1HB HIS 336 19.483 -16.088 -5.078 1002 HB3 HIS 336 2HB HIS 336 18.275 -16.572 -6.265 1003 HD1 HIS 336 HD1 HIS 336 21.507 -17.610 -5.457 1004 HD2 HIS 336 HD2 HIS 336 19.676 -16.293 -9.020 1005 HE1 HIS 336 HE1 HIS 336 22.904 -18.544 -7.387 1006 H GLU 337 H GLU 337 17.472 -12.606 -7.158 1007 HA GLU 337 HA GLU 337 16.500 -11.952 -4.534 1008 HB2 GLU 337 1HB GLU 337 15.468 -10.132 -5.524 1009 HB3 GLU 337 2HB GLU 337 16.801 -10.431 -6.628 1010 HG2 GLU 337 1HG GLU 337 14.847 -11.876 -7.882 1011 HG3 GLU 337 2HG GLU 337 13.832 -10.695 -7.045 1012 H ASP 338 H ASP 338 14.591 -12.582 -3.534 1013 HA ASP 338 HA ASP 338 13.155 -14.859 -4.803 1014 HB2 ASP 338 1HB ASP 338 13.907 -15.027 -2.410 1015 HB3 ASP 338 2HB ASP 338 12.823 -13.689 -2.009 1016 H ASN 339 H ASN 339 12.692 -11.701 -3.299 1017 HA ASN 339 HA ASN 339 10.062 -11.286 -4.599 1018 HB2 ASN 339 1HB ASN 339 11.372 -10.106 -2.111 1019 HB3 ASN 339 2HB ASN 339 9.800 -9.613 -2.781 1020 HD21 ASN 339 1HD2 ASN 339 9.904 -12.982 -0.537 1021 HD22 ASN 339 2HD2 ASN 339 11.285 -11.971 -0.565 1022 H GLU 340 H GLU 340 10.231 -10.167 -6.415 1023 HA GLU 340 HA GLU 340 12.354 -8.632 -7.374 1024 HB2 GLU 340 1HB GLU 340 10.668 -9.742 -8.755 1025 HB3 GLU 340 2HB GLU 340 9.411 -8.670 -8.132 1026 HG2 GLU 340 1HG GLU 340 10.558 -6.713 -9.183 1027 HG3 GLU 340 2HG GLU 340 11.813 -7.795 -9.795 1028 H TRP 341 H TRP 341 9.198 -7.291 -6.045 1029 HA TRP 341 HA TRP 341 8.631 -5.227 -5.403 1030 HB2 TRP 341 2HB TRP 341 11.563 -4.920 -4.702 1031 HB3 TRP 341 3HB TRP 341 10.257 -3.867 -4.207 1032 HD1 TRP 341 HD1 TRP 341 12.160 -6.723 -3.034 1033 HE1 TRP 341 1HE TRP 341 11.030 -8.031 -1.177 1034 HE3 TRP 341 3HE TRP 341 7.455 -4.749 -3.485 1035 HZ2 TRP 341 2HZ TRP 341 8.268 -8.401 -0.205 1036 HZ3 TRP 341 3HZ TRP 341 5.587 -5.651 -2.143 1037 HH2 TRP 341 HH2 TRP 341 5.980 -7.485 -0.534 1038 H GLY 342 H GLY 342 8.382 -5.217 -7.915 1039 HA2 GLY 342 1HA GLY 342 10.010 -3.267 -9.311 1040 HA3 GLY 342 2HA GLY 342 8.507 -3.984 -9.896 1041 H ILE 343 H ILE 343 9.680 -1.063 -9.373 1042 HA ILE 343 HA ILE 343 7.705 0.166 -7.625 1043 HB ILE 343 HB ILE 343 9.665 1.450 -9.571 1044 HG12 ILE 343 1HG1 ILE 343 10.064 1.305 -6.566 1045 HG13 ILE 343 2HG1 ILE 343 10.740 0.083 -7.660 1046 HG21 ILE 343 1HG2 ILE 343 9.313 3.511 -8.125 1047 HG22 ILE 343 2HG2 ILE 343 7.879 3.028 -8.993 1048 HG23 ILE 343 3HG2 ILE 343 8.039 2.622 -7.270 1049 HD11 ILE 343 1HD1 ILE 343 11.912 1.921 -8.906 1050 HD12 ILE 343 2HD1 ILE 343 11.354 3.056 -7.650 1051 HD13 ILE 343 3HD1 ILE 343 12.431 1.720 -7.229 1052 H GLU 344 H GLU 344 5.679 1.076 -8.170 1053 HA GLU 344 HA GLU 344 5.289 1.831 -10.967 1054 HB2 GLU 344 1HB GLU 344 4.336 -0.488 -10.524 1055 HB3 GLU 344 2HB GLU 344 3.231 0.278 -9.369 1056 HG2 GLU 344 1HG GLU 344 2.222 -0.113 -11.590 1057 HG3 GLU 344 2HG GLU 344 2.187 1.578 -11.098 1058 H LEU 345 H LEU 345 4.000 3.625 -11.256 1059 HA LEU 345 HA LEU 345 3.458 5.300 -8.890 1060 HB2 LEU 345 1HB LEU 345 5.038 6.102 -10.568 1061 HB3 LEU 345 2HB LEU 345 3.883 5.857 -11.871 1062 HG LEU 345 HG LEU 345 3.194 7.635 -9.550 1063 HD11 LEU 345 1HD1 LEU 345 4.890 8.398 -11.965 1064 HD12 LEU 345 2HD1 LEU 345 5.379 8.416 -10.252 1065 HD13 LEU 345 3HD1 LEU 345 4.181 9.570 -10.847 1066 HD21 LEU 345 1HD2 LEU 345 1.312 7.376 -11.042 1067 HD22 LEU 345 2HD2 LEU 345 2.340 7.571 -12.478 1068 HD23 LEU 345 3HD2 LEU 345 1.999 8.944 -11.421 1069 H VAL 346 H VAL 346 1.342 5.426 -8.255 1070 HA VAL 346 HA VAL 346 -0.736 4.940 -10.320 1071 HB VAL 346 HB VAL 346 -1.058 4.094 -7.473 1072 HG11 VAL 346 1HG1 VAL 346 -2.380 3.071 -10.001 1073 HG12 VAL 346 2HG1 VAL 346 -2.764 2.643 -8.307 1074 HG13 VAL 346 3HG1 VAL 346 -3.039 4.293 -8.895 1075 HG21 VAL 346 1HG2 VAL 346 -0.563 1.703 -8.282 1076 HG22 VAL 346 2HG2 VAL 346 0.113 2.413 -9.763 1077 HG23 VAL 346 3HG2 VAL 346 0.862 2.724 -8.181 1078 H SER 347 H SER 347 -2.161 6.576 -10.528 1079 HA SER 347 HA SER 347 -3.151 8.059 -8.343 1080 HB2 SER 347 1HB SER 347 -2.412 10.328 -9.285 1081 HB3 SER 347 2HB SER 347 -1.288 9.413 -8.309 1082 HG SER 347 HG SER 347 -1.232 9.892 -11.067 1083 H GLU 348 H GLU 348 -5.034 9.237 -9.068 1084 HA GLU 348 HA GLU 348 -5.766 9.218 -11.867 1085 HB2 GLU 348 1HB GLU 348 -6.167 6.760 -11.001 1086 HB3 GLU 348 2HB GLU 348 -7.499 7.471 -10.094 1087 HG2 GLU 348 1HG GLU 348 -8.519 6.788 -12.058 1088 HG3 GLU 348 2HG GLU 348 -8.270 8.512 -12.318 Start of MODEL 2 1 H1 MET 1 H MET 1 0.739 -13.333 10.031 2 HA MET 1 HA MET 1 1.201 -15.178 8.459 3 HB2 MET 1 1HB MET 1 1.506 -14.624 6.088 4 HB3 MET 1 2HB MET 1 -0.161 -14.550 6.660 5 HG2 MET 1 1HG MET 1 0.157 -11.995 6.807 6 HG3 MET 1 2HG MET 1 1.638 -12.256 5.871 7 HE1 MET 1 1HE MET 1 -0.371 -10.216 4.867 8 HE2 MET 1 2HE MET 1 1.074 -10.722 3.959 9 HE3 MET 1 3HE MET 1 -0.506 -10.656 3.150 10 H GLY 2 H GLY 2 2.738 -12.157 7.146 11 HA2 GLY 2 1HA GLY 2 4.709 -11.732 8.960 12 HA3 GLY 2 2HA GLY 2 5.308 -13.071 7.943 13 H TRP 3 H TRP 3 6.659 -10.682 7.780 14 HA TRP 3 HA TRP 3 5.633 -9.403 5.320 15 HB2 TRP 3 2HB TRP 3 7.531 -8.460 7.458 16 HB3 TRP 3 3HB TRP 3 7.215 -7.606 5.955 17 HD1 TRP 3 HD1 TRP 3 6.399 -7.027 9.184 18 HE1 TRP 3 1HE TRP 3 4.134 -5.924 9.554 19 HE3 TRP 3 3HE TRP 3 4.108 -8.261 4.724 20 HZ2 TRP 3 2HZ TRP 3 1.594 -5.753 8.176 21 HZ3 TRP 3 3HZ TRP 3 1.833 -7.588 4.288 22 HH2 TRP 3 HH2 TRP 3 0.573 -6.209 5.901 23 H MET 4 H MET 4 6.207 -10.415 3.657 24 HA MET 4 HA MET 4 8.374 -12.142 3.303 25 HB2 MET 4 1HB MET 4 6.108 -11.317 1.876 26 HB3 MET 4 2HB MET 4 7.401 -10.624 0.916 27 HG2 MET 4 1HG MET 4 6.902 -12.814 0.085 28 HG3 MET 4 2HG MET 4 8.482 -12.895 0.862 29 HE1 MET 4 1HE MET 4 6.828 -16.414 1.341 30 HE2 MET 4 2HE MET 4 6.636 -15.284 -0.010 31 HE3 MET 4 3HE MET 4 8.233 -15.519 0.730 32 H PHE 5 H PHE 5 8.005 -8.692 2.450 33 HA PHE 5 HA PHE 5 10.517 -8.249 1.343 34 HB2 PHE 5 2HB PHE 5 10.030 -5.904 1.748 35 HB3 PHE 5 3HB PHE 5 8.633 -6.755 1.161 36 HD1 PHE 5 1HD PHE 5 10.126 -5.070 4.089 37 HD2 PHE 5 2HD PHE 5 6.574 -6.902 2.479 38 HE1 PHE 5 1HE PHE 5 8.822 -4.158 5.974 39 HE2 PHE 5 2HE PHE 5 5.275 -5.968 4.360 40 HZ PHE 5 HZ PHE 5 6.373 -4.598 6.112 41 H LYS 6 H LYS 6 9.506 -7.773 4.721 42 HA LYS 6 HA LYS 6 12.001 -6.930 5.768 43 HB2 LYS 6 1HB LYS 6 9.532 -6.848 6.735 44 HB3 LYS 6 2HB LYS 6 9.931 -8.442 7.356 45 HG2 LYS 6 1HG LYS 6 12.149 -7.002 8.183 46 HG3 LYS 6 2HG LYS 6 10.947 -5.733 8.101 47 HD2 LYS 6 1HD LYS 6 10.514 -6.403 10.231 48 HD3 LYS 6 2HD LYS 6 9.478 -7.581 9.455 49 HE2 LYS 6 1HE LYS 6 12.273 -7.923 10.600 50 HE3 LYS 6 2HE LYS 6 10.790 -8.710 11.123 51 HZ1 LYS 6 1HZ LYS 6 12.151 -10.219 9.953 52 HZ2 LYS 6 2HZ LYS 6 12.298 -9.262 8.639 53 HZ3 LYS 6 3HZ LYS 6 10.843 -9.971 9.012 54 H GLU 7 H GLU 7 10.774 -10.151 5.007 55 HA GLU 7 HA GLU 7 12.664 -11.475 6.772 56 HB2 GLU 7 1HB GLU 7 10.450 -12.506 6.036 57 HB3 GLU 7 2HB GLU 7 11.086 -12.581 4.401 58 HG2 GLU 7 1HG GLU 7 11.372 -14.738 5.302 59 HG3 GLU 7 2HG GLU 7 12.976 -14.027 5.287 60 H ASP 8 H ASP 8 12.346 -10.813 3.268 61 HA ASP 8 HA ASP 8 14.910 -11.936 2.624 62 HB2 ASP 8 1HB ASP 8 12.613 -10.820 1.150 63 HB3 ASP 8 2HB ASP 8 14.172 -10.452 0.432 64 H HIS 9 H HIS 9 14.019 -8.382 2.014 65 HA HIS 9 HA HIS 9 16.422 -7.589 3.443 66 HB2 HIS 9 1HB HIS 9 17.409 -6.502 1.364 67 HB3 HIS 9 2HB HIS 9 17.590 -8.244 1.456 68 HD1 HIS 9 HD1 HIS 9 15.535 -5.613 -0.440 69 HD2 HIS 9 HD2 HIS 9 16.221 -9.751 -0.283 70 HE1 HIS 9 HE1 HIS 9 13.972 -6.687 -2.136 71 H SER 10 H SER 10 15.731 -5.630 4.377 72 HA SER 10 HA SER 10 13.795 -4.044 2.782 73 HB2 SER 10 1HB SER 10 12.615 -5.508 4.431 74 HB3 SER 10 2HB SER 10 13.330 -4.520 5.720 75 HG SER 10 HG SER 10 11.820 -3.165 5.370 76 H LEU 11 H LEU 11 15.430 -3.722 5.959 77 HA LEU 11 HA LEU 11 15.576 -1.056 6.122 78 HB2 LEU 11 1HB LEU 11 17.934 -2.854 6.761 79 HB3 LEU 11 2HB LEU 11 17.599 -1.263 7.446 80 HG LEU 11 HG LEU 11 15.898 -3.752 7.864 81 HD11 LEU 11 1HD1 LEU 11 18.120 -3.801 8.980 82 HD12 LEU 11 2HD1 LEU 11 16.779 -3.732 10.133 83 HD13 LEU 11 3HD1 LEU 11 17.728 -2.270 9.778 84 HD21 LEU 11 1HD2 LEU 11 15.644 -0.951 9.066 85 HD22 LEU 11 2HD2 LEU 11 14.763 -2.396 9.636 86 HD23 LEU 11 3HD2 LEU 11 14.476 -1.772 8.020 87 H GLU 12 H GLU 12 18.232 -2.751 4.316 88 HA GLU 12 HA GLU 12 19.457 -0.262 3.592 89 HB2 GLU 12 1HB GLU 12 20.487 -2.652 3.713 90 HB3 GLU 12 2HB GLU 12 19.884 -2.845 2.066 91 HG2 GLU 12 1HG GLU 12 21.111 -0.704 1.492 92 HG3 GLU 12 2HG GLU 12 21.810 -0.721 3.101 93 H HIS 13 H HIS 13 17.443 -2.543 1.703 94 HA HIS 13 HA HIS 13 17.230 -1.155 -0.697 95 HB2 HIS 13 1HB HIS 13 16.319 -3.470 -0.256 96 HB3 HIS 13 2HB HIS 13 15.022 -2.777 0.668 97 HD1 HIS 13 HD1 HIS 13 15.707 -3.966 -2.735 98 HD2 HIS 13 HD2 HIS 13 13.463 -0.896 -0.939 99 HE1 HIS 13 HE1 HIS 13 13.756 -3.486 -4.305 100 H ARG 14 H ARG 14 14.978 -0.964 2.070 101 HA ARG 14 HA ARG 14 13.251 0.981 0.924 102 HB2 ARG 14 1HB ARG 14 13.826 0.451 3.863 103 HB3 ARG 14 2HB ARG 14 12.484 1.410 3.249 104 HG2 ARG 14 1HG ARG 14 12.842 -1.594 2.938 105 HG3 ARG 14 2HG ARG 14 11.743 -0.754 3.997 106 HD2 ARG 14 1HD ARG 14 10.253 -1.273 2.413 107 HD3 ARG 14 2HD ARG 14 10.817 0.225 1.677 108 HE ARG 14 HE ARG 14 11.652 -1.010 -0.079 109 HH11 ARG 14 1HH1 ARG 14 11.295 -3.424 2.637 110 HH12 ARG 14 2HH1 ARG 14 11.299 -4.696 1.459 111 HH21 ARG 14 1HH2 ARG 14 12.114 -2.970 -1.354 112 HH22 ARG 14 2HH2 ARG 14 11.927 -4.495 -0.539 113 H CYS 15 H CYS 15 16.287 1.333 2.923 114 HA CYS 15 HA CYS 15 16.055 4.134 3.261 115 HB2 CYS 15 2HB CYS 15 17.670 2.550 4.399 116 HB3 CYS 15 3HB CYS 15 18.618 2.504 2.915 117 HG CYS 15 HG CYS 15 19.922 4.066 4.394 118 H VAL 16 H VAL 16 17.883 2.311 0.676 119 HA VAL 16 HA VAL 16 18.604 4.713 -0.698 120 HB VAL 16 HB VAL 16 19.912 2.738 -0.985 121 HG11 VAL 16 1HG1 VAL 16 18.209 0.951 -0.882 122 HG12 VAL 16 2HG1 VAL 16 17.638 1.397 -2.505 123 HG13 VAL 16 3HG1 VAL 16 19.278 0.783 -2.261 124 HG21 VAL 16 1HG2 VAL 16 20.166 2.747 -3.439 125 HG22 VAL 16 2HG2 VAL 16 18.580 3.492 -3.626 126 HG23 VAL 16 3HG2 VAL 16 19.885 4.383 -2.818 127 H GLU 17 H GLU 17 15.918 2.377 -1.353 128 HA GLU 17 HA GLU 17 14.969 3.836 -3.577 129 HB2 GLU 17 1HB GLU 17 13.756 1.770 -1.750 130 HB3 GLU 17 2HB GLU 17 12.693 2.651 -2.816 131 HG2 GLU 17 1HG GLU 17 15.241 1.264 -3.790 132 HG3 GLU 17 2HG GLU 17 13.648 0.513 -3.793 133 H SER 18 H SER 18 14.220 4.280 -0.089 134 HA SER 18 HA SER 18 12.127 6.155 -0.530 135 HB2 SER 18 1HB SER 18 12.619 5.121 1.675 136 HB3 SER 18 2HB SER 18 14.111 6.077 1.775 137 HG SER 18 HG SER 18 12.375 6.999 2.886 138 H ALA 19 H ALA 19 15.743 6.610 -0.221 139 HA ALA 19 HA ALA 19 15.581 9.429 -0.534 140 HB1 ALA 19 1HB ALA 19 17.609 8.437 0.263 141 HB2 ALA 19 2HB ALA 19 17.838 7.528 -1.253 142 HB3 ALA 19 3HB ALA 19 17.962 9.302 -1.237 143 H LYS 20 H LYS 20 15.948 6.944 -3.087 144 HA LYS 20 HA LYS 20 16.079 8.795 -5.260 145 HB2 LYS 20 1HB LYS 20 14.887 5.984 -5.226 146 HB3 LYS 20 2HB LYS 20 15.326 6.913 -6.666 147 HG2 LYS 20 1HG LYS 20 17.712 6.943 -5.874 148 HG3 LYS 20 2HG LYS 20 17.241 5.948 -4.504 149 HD2 LYS 20 1HD LYS 20 18.010 4.354 -6.009 150 HD3 LYS 20 2HD LYS 20 16.280 4.274 -6.192 151 HE2 LYS 20 1HE LYS 20 17.252 4.246 -8.391 152 HE3 LYS 20 2HE LYS 20 16.426 5.785 -8.199 153 HZ1 LYS 20 1HZ LYS 20 19.336 5.473 -7.776 154 HZ2 LYS 20 2HZ LYS 20 18.494 6.879 -7.900 155 HZ3 LYS 20 3HZ LYS 20 18.664 5.915 -9.220 156 H ILE 21 H ILE 21 13.260 7.112 -3.808 157 HA ILE 21 HA ILE 21 11.302 8.205 -5.555 158 HB ILE 21 HB ILE 21 11.241 7.037 -2.753 159 HG12 ILE 21 1HG1 ILE 21 10.159 5.933 -5.382 160 HG13 ILE 21 2HG1 ILE 21 11.796 5.624 -4.849 161 HG21 ILE 21 1HG2 ILE 21 8.840 7.871 -4.420 162 HG22 ILE 21 2HG2 ILE 21 8.771 6.853 -2.964 163 HG23 ILE 21 3HG2 ILE 21 9.306 8.510 -2.833 164 HD11 ILE 21 1HD1 ILE 21 10.340 3.756 -4.318 165 HD12 ILE 21 2HD1 ILE 21 11.018 4.471 -2.839 166 HD13 ILE 21 3HD1 ILE 21 9.334 4.772 -3.286 167 H ARG 22 H ARG 22 12.526 9.391 -2.357 168 HA ARG 22 HA ARG 22 10.675 11.585 -2.239 169 HB2 ARG 22 1HB ARG 22 13.404 11.116 -0.967 170 HB3 ARG 22 2HB ARG 22 12.374 12.467 -0.545 171 HG2 ARG 22 1HG ARG 22 11.357 9.610 -0.310 172 HG3 ARG 22 2HG ARG 22 12.354 10.322 0.945 173 HD2 ARG 22 1HD ARG 22 9.721 11.488 -0.048 174 HD3 ARG 22 2HD ARG 22 9.853 10.378 1.313 175 HE ARG 22 HE ARG 22 10.348 13.184 1.277 176 HH11 ARG 22 1HH1 ARG 22 11.520 10.249 2.907 177 HH12 ARG 22 2HH1 ARG 22 11.747 11.029 4.436 178 HH21 ARG 22 1HH2 ARG 22 10.440 14.157 3.385 179 HH22 ARG 22 2HH2 ARG 22 10.971 13.180 4.717 180 H ALA 23 H ALA 23 13.988 11.258 -3.585 181 HA ALA 23 HA ALA 23 14.257 14.029 -4.239 182 HB1 ALA 23 1HB ALA 23 16.033 13.173 -5.772 183 HB2 ALA 23 2HB ALA 23 16.177 12.587 -4.111 184 HB3 ALA 23 3HB ALA 23 15.551 11.511 -5.394 185 H LYS 24 H LYS 24 13.185 11.197 -6.272 186 HA LYS 24 HA LYS 24 12.645 12.967 -8.532 187 HB2 LYS 24 1HB LYS 24 11.874 10.059 -8.040 188 HB3 LYS 24 2HB LYS 24 11.560 10.965 -9.528 189 HG2 LYS 24 1HG LYS 24 14.117 11.437 -9.565 190 HG3 LYS 24 2HG LYS 24 14.248 10.099 -8.412 191 HD2 LYS 24 1HD LYS 24 13.013 10.026 -11.196 192 HD3 LYS 24 2HD LYS 24 14.582 9.343 -10.748 193 HE2 LYS 24 1HE LYS 24 13.533 7.665 -9.338 194 HE3 LYS 24 2HE LYS 24 11.953 8.441 -9.506 195 HZ1 LYS 24 1HZ LYS 24 12.133 6.540 -10.908 196 HZ2 LYS 24 2HZ LYS 24 13.427 7.149 -11.715 197 HZ3 LYS 24 3HZ LYS 24 11.957 7.885 -11.845 198 H TYR 25 H TYR 25 10.495 11.207 -6.231 199 HA TYR 25 HA TYR 25 8.214 12.858 -7.129 200 HB2 TYR 25 2HB TYR 25 8.090 10.089 -5.919 201 HB3 TYR 25 3HB TYR 25 6.865 10.949 -6.838 202 HD1 TYR 25 1HD TYR 25 9.027 8.233 -7.002 203 HD2 TYR 25 2HD TYR 25 7.927 11.709 -9.331 204 HE1 TYR 25 1HE TYR 25 9.802 7.104 -9.044 205 HE2 TYR 25 2HE TYR 25 8.738 10.587 -11.371 206 HH TYR 25 HH TYR 25 9.530 7.208 -11.526 207 HA PRO 26 HA PRO 26 9.176 13.713 -2.632 208 HB2 PRO 26 2HB PRO 26 8.784 16.448 -2.680 209 HB3 PRO 26 3HB PRO 26 10.336 15.655 -3.032 210 HG2 PRO 26 2HG PRO 26 8.232 16.633 -4.976 211 HG3 PRO 26 3HG PRO 26 10.007 16.872 -5.067 212 HD2 PRO 26 2HD PRO 26 8.710 14.921 -6.479 213 HD3 PRO 26 3HD PRO 26 10.352 14.651 -5.797 214 H ASP 27 H ASP 27 6.507 14.606 -4.799 215 HA ASP 27 HA ASP 27 4.680 15.173 -2.553 216 HB2 ASP 27 1HB ASP 27 4.866 15.704 -5.464 217 HB3 ASP 27 2HB ASP 27 3.303 15.053 -5.032 218 H ARG 28 H ARG 28 5.897 12.297 -3.615 219 HA ARG 28 HA ARG 28 3.231 10.926 -3.466 220 HB2 ARG 28 1HB ARG 28 5.795 10.056 -4.860 221 HB3 ARG 28 2HB ARG 28 4.429 8.981 -4.542 222 HG2 ARG 28 1HG ARG 28 2.940 10.425 -5.849 223 HG3 ARG 28 2HG ARG 28 4.296 11.443 -6.279 224 HD2 ARG 28 1HD ARG 28 4.917 10.062 -7.949 225 HD3 ARG 28 2HD ARG 28 4.962 8.678 -6.866 226 HE ARG 28 HE ARG 28 2.839 8.033 -7.491 227 HH11 ARG 28 1HH1 ARG 28 3.583 11.192 -9.120 228 HH12 ARG 28 2HH1 ARG 28 2.031 11.209 -9.899 229 HH21 ARG 28 1HH2 ARG 28 0.870 8.127 -8.683 230 HH22 ARG 28 2HH2 ARG 28 0.587 9.395 -9.805 231 H VAL 29 H VAL 29 3.123 8.913 -2.330 232 HA VAL 29 HA VAL 29 5.063 8.712 -0.119 233 HB VAL 29 HB VAL 29 3.322 8.139 1.340 234 HG11 VAL 29 1HG1 VAL 29 2.364 10.558 -0.254 235 HG12 VAL 29 2HG1 VAL 29 2.160 10.256 1.481 236 HG13 VAL 29 3HG1 VAL 29 3.774 10.578 0.819 237 HG21 VAL 29 1HG2 VAL 29 1.293 8.511 -0.905 238 HG22 VAL 29 2HG2 VAL 29 1.721 6.950 -0.164 239 HG23 VAL 29 3HG2 VAL 29 0.937 8.198 0.797 240 HA PRO 30 HA PRO 30 5.639 4.625 -1.914 241 HB2 PRO 30 2HB PRO 30 7.674 3.750 -0.365 242 HB3 PRO 30 3HB PRO 30 7.864 5.150 -1.461 243 HG2 PRO 30 2HG PRO 30 7.420 5.155 1.521 244 HG3 PRO 30 3HG PRO 30 8.515 6.181 0.557 245 HD2 PRO 30 2HD PRO 30 5.912 6.872 1.414 246 HD3 PRO 30 3HD PRO 30 6.833 7.664 0.103 247 H VAL 31 H VAL 31 3.981 3.224 -1.632 248 HA VAL 31 HA VAL 31 3.497 2.014 1.041 249 HB VAL 31 HB VAL 31 1.708 2.420 -1.373 250 HG11 VAL 31 1HG1 VAL 31 1.124 1.364 1.441 251 HG12 VAL 31 2HG1 VAL 31 -0.148 1.900 0.329 252 HG13 VAL 31 3HG1 VAL 31 0.864 0.524 -0.104 253 HG21 VAL 31 1HG2 VAL 31 1.778 3.982 1.225 254 HG22 VAL 31 2HG2 VAL 31 2.121 4.600 -0.398 255 HG23 VAL 31 3HG2 VAL 31 0.486 4.102 0.021 256 H ILE 32 H ILE 32 3.035 -0.197 1.137 257 HA ILE 32 HA ILE 32 3.808 -1.951 -1.137 258 HB ILE 32 HB ILE 32 4.376 -2.259 1.849 259 HG12 ILE 32 1HG1 ILE 32 5.947 -0.697 0.898 260 HG13 ILE 32 2HG1 ILE 32 6.763 -2.209 1.228 261 HG21 ILE 32 1HG2 ILE 32 5.080 -4.176 -0.408 262 HG22 ILE 32 2HG2 ILE 32 5.583 -4.317 1.294 263 HG23 ILE 32 3HG2 ILE 32 3.880 -4.449 0.857 264 HD11 ILE 32 1HD1 ILE 32 7.557 -1.354 -0.878 265 HD12 ILE 32 2HD1 ILE 32 6.555 -2.756 -1.269 266 HD13 ILE 32 3HD1 ILE 32 5.927 -1.125 -1.495 267 H VAL 33 H VAL 33 2.170 -3.476 -1.566 268 HA VAL 33 HA VAL 33 -0.109 -3.516 0.321 269 HB VAL 33 HB VAL 33 -0.334 -3.481 -2.694 270 HG11 VAL 33 1HG1 VAL 33 -2.178 -4.668 -1.534 271 HG12 VAL 33 2HG1 VAL 33 -2.442 -3.258 -0.490 272 HG13 VAL 33 3HG1 VAL 33 -2.742 -3.154 -2.241 273 HG21 VAL 33 1HG2 VAL 33 0.370 -1.245 -1.974 274 HG22 VAL 33 2HG2 VAL 33 -1.336 -1.224 -2.407 275 HG23 VAL 33 3HG2 VAL 33 -0.861 -1.246 -0.687 276 H GLU 34 H GLU 34 -0.508 -5.604 1.109 277 HA GLU 34 HA GLU 34 0.169 -7.839 -0.752 278 HB2 GLU 34 1HB GLU 34 0.760 -7.928 2.198 279 HB3 GLU 34 2HB GLU 34 0.963 -9.217 1.035 280 HG2 GLU 34 1HG GLU 34 2.544 -7.809 -0.285 281 HG3 GLU 34 2HG GLU 34 2.401 -6.531 0.918 282 H LYS 35 H LYS 35 -1.050 -9.766 -0.567 283 HA LYS 35 HA LYS 35 -3.883 -9.306 0.083 284 HB2 LYS 35 1HB LYS 35 -3.145 -10.267 -2.089 285 HB3 LYS 35 2HB LYS 35 -2.409 -11.629 -1.273 286 HG2 LYS 35 1HG LYS 35 -5.328 -11.035 -0.836 287 HG3 LYS 35 2HG LYS 35 -4.863 -11.695 -2.375 288 HD2 LYS 35 1HD LYS 35 -4.078 -13.141 0.162 289 HD3 LYS 35 2HD LYS 35 -5.675 -13.285 -0.540 290 HE2 LYS 35 1HE LYS 35 -4.675 -15.111 -1.423 291 HE3 LYS 35 2HE LYS 35 -4.504 -13.965 -2.733 292 HZ1 LYS 35 1HZ LYS 35 -2.372 -14.554 -0.762 293 HZ2 LYS 35 2HZ LYS 35 -2.200 -13.714 -2.145 294 HZ3 LYS 35 3HZ LYS 35 -2.510 -15.295 -2.191 295 H VAL 36 H VAL 36 -4.771 -10.048 2.054 296 HA VAL 36 HA VAL 36 -3.083 -11.490 3.892 297 HB VAL 36 HB VAL 36 -6.079 -10.864 3.981 298 HG11 VAL 36 1HG1 VAL 36 -4.132 -11.815 6.144 299 HG12 VAL 36 2HG1 VAL 36 -5.754 -11.186 6.472 300 HG13 VAL 36 3HG1 VAL 36 -5.557 -12.680 5.546 301 HG21 VAL 36 1HG2 VAL 36 -5.487 -9.019 5.408 302 HG22 VAL 36 2HG2 VAL 36 -3.755 -9.444 5.366 303 HG23 VAL 36 3HG2 VAL 36 -4.580 -8.833 3.920 304 H SER 37 H SER 37 -2.896 -13.725 4.102 305 HA SER 37 HA SER 37 -3.951 -15.385 2.086 306 HB2 SER 37 1HB SER 37 -3.106 -17.160 3.880 307 HB3 SER 37 2HB SER 37 -2.001 -16.169 2.930 308 HG SER 37 HG SER 37 -1.255 -15.895 4.852 309 H GLY 38 H GLY 38 -5.398 -17.003 2.118 310 HA2 GLY 38 1HA GLY 38 -7.087 -18.374 2.867 311 HA3 GLY 38 2HA GLY 38 -7.332 -17.354 4.283 312 H SER 39 H SER 39 -7.611 -14.821 2.248 313 HA SER 39 HA SER 39 -10.476 -15.326 2.068 314 HB2 SER 39 1HB SER 39 -9.426 -12.927 0.728 315 HB3 SER 39 2HB SER 39 -10.795 -13.129 1.809 316 HG SER 39 HG SER 39 -9.297 -13.195 3.586 317 H GLN 40 H GLN 40 -11.715 -15.029 0.066 318 HA GLN 40 HA GLN 40 -10.714 -16.608 -2.087 319 HB2 GLN 40 1HB GLN 40 -13.242 -15.071 -1.480 320 HB3 GLN 40 2HB GLN 40 -12.968 -15.593 -3.136 321 HG2 GLN 40 1HG GLN 40 -12.690 -17.932 -2.405 322 HG3 GLN 40 2HG GLN 40 -12.976 -17.448 -0.730 323 HE21 GLN 40 1HE2 GLN 40 -16.245 -17.017 -3.291 324 HE22 GLN 40 2HE2 GLN 40 -14.694 -16.431 -3.818 325 H ILE 41 H ILE 41 -10.236 -13.195 -1.728 326 HA ILE 41 HA ILE 41 -10.580 -12.455 -4.454 327 HB ILE 41 HB ILE 41 -10.721 -10.978 -2.529 328 HG12 ILE 41 1HG1 ILE 41 -9.581 -8.998 -3.263 329 HG13 ILE 41 2HG1 ILE 41 -8.601 -9.917 -4.409 330 HG21 ILE 41 1HG2 ILE 41 -7.684 -11.179 -2.316 331 HG22 ILE 41 2HG2 ILE 41 -8.727 -10.130 -1.340 332 HG23 ILE 41 3HG2 ILE 41 -8.822 -11.884 -1.175 333 HD11 ILE 41 1HD1 ILE 41 -10.582 -8.789 -5.436 334 HD12 ILE 41 2HD1 ILE 41 -10.632 -10.547 -5.663 335 HD13 ILE 41 3HD1 ILE 41 -11.651 -9.784 -4.424 336 H VAL 42 H VAL 42 -8.893 -11.559 -5.894 337 HA VAL 42 HA VAL 42 -6.994 -13.509 -6.635 338 HB VAL 42 HB VAL 42 -6.181 -11.722 -8.212 339 HG11 VAL 42 1HG1 VAL 42 -9.187 -12.091 -8.296 340 HG12 VAL 42 2HG1 VAL 42 -8.105 -11.777 -9.657 341 HG13 VAL 42 3HG1 VAL 42 -8.022 -13.329 -8.800 342 HG21 VAL 42 1HG2 VAL 42 -6.716 -9.716 -6.895 343 HG22 VAL 42 2HG2 VAL 42 -7.492 -9.692 -8.493 344 HG23 VAL 42 3HG2 VAL 42 -8.454 -10.049 -7.056 345 H ASP 43 H ASP 43 -4.657 -13.348 -6.689 346 HA ASP 43 HA ASP 43 -3.575 -12.221 -4.208 347 HB2 ASP 43 1HB ASP 43 -2.963 -14.499 -5.070 348 HB3 ASP 43 2HB ASP 43 -2.123 -13.727 -6.416 349 H ILE 44 H ILE 44 -1.344 -11.107 -4.340 350 HA ILE 44 HA ILE 44 -1.273 -9.157 -6.572 351 HB ILE 44 HB ILE 44 -2.319 -8.189 -4.581 352 HG12 ILE 44 1HG1 ILE 44 0.360 -6.816 -4.853 353 HG13 ILE 44 2HG1 ILE 44 -0.762 -6.876 -6.207 354 HG21 ILE 44 1HG2 ILE 44 0.364 -8.558 -3.178 355 HG22 ILE 44 2HG2 ILE 44 -1.076 -7.778 -2.522 356 HG23 ILE 44 3HG2 ILE 44 -1.087 -9.522 -2.845 357 HD11 ILE 44 1HD1 ILE 44 -2.520 -5.800 -4.839 358 HD12 ILE 44 2HD1 ILE 44 -1.395 -5.725 -3.463 359 HD13 ILE 44 3HD1 ILE 44 -1.059 -4.799 -4.929 360 H ASP 45 H ASP 45 0.577 -8.518 -7.319 361 HA ASP 45 HA ASP 45 2.895 -10.201 -7.114 362 HB2 ASP 45 1HB ASP 45 2.514 -7.490 -8.460 363 HB3 ASP 45 2HB ASP 45 3.702 -8.724 -8.889 364 H LYS 46 H LYS 46 5.096 -9.227 -6.652 365 HA LYS 46 HA LYS 46 5.019 -7.612 -4.163 366 HB2 LYS 46 1HB LYS 46 7.166 -9.165 -5.691 367 HB3 LYS 46 2HB LYS 46 7.575 -8.004 -4.439 368 HG2 LYS 46 1HG LYS 46 7.589 -9.956 -3.276 369 HG3 LYS 46 2HG LYS 46 6.015 -9.310 -2.861 370 HD2 LYS 46 1HD LYS 46 4.882 -10.905 -4.239 371 HD3 LYS 46 2HD LYS 46 6.378 -11.336 -5.096 372 HE2 LYS 46 1HE LYS 46 7.356 -12.197 -2.978 373 HE3 LYS 46 2HE LYS 46 5.842 -11.821 -2.132 374 HZ1 LYS 46 1HZ LYS 46 6.053 -14.166 -2.858 375 HZ2 LYS 46 2HZ LYS 46 6.061 -13.675 -4.417 376 HZ3 LYS 46 3HZ LYS 46 4.724 -13.426 -3.442 377 H ARG 47 H ARG 47 4.494 -5.478 -4.788 378 HA ARG 47 HA ARG 47 6.443 -4.234 -6.641 379 HB2 ARG 47 1HB ARG 47 3.444 -3.823 -6.821 380 HB3 ARG 47 2HB ARG 47 4.649 -3.019 -7.817 381 HG2 ARG 47 1HG ARG 47 4.109 -6.021 -7.793 382 HG3 ARG 47 2HG ARG 47 3.444 -4.910 -8.947 383 HD2 ARG 47 1HD ARG 47 6.436 -5.252 -8.661 384 HD3 ARG 47 2HD ARG 47 5.433 -6.298 -9.664 385 HE ARG 47 HE ARG 47 4.929 -3.526 -10.219 386 HH11 ARG 47 1HH1 ARG 47 7.164 -6.213 -10.935 387 HH12 ARG 47 2HH1 ARG 47 7.453 -5.749 -12.548 388 HH21 ARG 47 1HH2 ARG 47 5.495 -2.753 -12.366 389 HH22 ARG 47 2HH2 ARG 47 6.527 -3.790 -13.354 390 H LYS 48 H LYS 48 6.531 -1.959 -6.506 391 HA LYS 48 HA LYS 48 6.015 -0.936 -3.745 392 HB2 LYS 48 1HB LYS 48 8.025 0.377 -5.578 393 HB3 LYS 48 2HB LYS 48 7.958 0.300 -3.817 394 HG2 LYS 48 1HG LYS 48 8.313 -2.276 -4.195 395 HG3 LYS 48 2HG LYS 48 8.887 -1.768 -5.787 396 HD2 LYS 48 1HD LYS 48 10.014 -0.994 -3.069 397 HD3 LYS 48 2HD LYS 48 10.674 -2.177 -4.202 398 HE2 LYS 48 1HE LYS 48 12.082 -0.456 -4.464 399 HE3 LYS 48 2HE LYS 48 11.019 -0.319 -5.854 400 HZ1 LYS 48 1HZ LYS 48 9.832 1.438 -4.636 401 HZ2 LYS 48 2HZ LYS 48 11.438 1.814 -4.728 402 HZ3 LYS 48 3HZ LYS 48 10.793 1.231 -3.322 403 H TYR 49 H TYR 49 4.021 0.010 -3.852 404 HA TYR 49 HA TYR 49 3.175 1.482 -6.230 405 HB2 TYR 49 2HB TYR 49 1.818 0.883 -3.570 406 HB3 TYR 49 3HB TYR 49 1.074 1.703 -4.940 407 HD1 TYR 49 1HD TYR 49 2.316 -1.587 -3.709 408 HD2 TYR 49 2HD TYR 49 0.444 0.535 -6.965 409 HE1 TYR 49 1HE TYR 49 1.702 -3.737 -4.740 410 HE2 TYR 49 2HE TYR 49 -0.186 -1.617 -8.008 411 HH TYR 49 HH TYR 49 0.768 -4.784 -6.634 412 H LEU 50 H LEU 50 3.555 3.574 -6.484 413 HA LEU 50 HA LEU 50 4.179 5.314 -4.129 414 HB2 LEU 50 1HB LEU 50 4.897 5.860 -7.028 415 HB3 LEU 50 2HB LEU 50 5.439 6.708 -5.591 416 HG LEU 50 HG LEU 50 6.229 3.939 -6.579 417 HD11 LEU 50 1HD1 LEU 50 7.793 6.489 -6.021 418 HD12 LEU 50 2HD1 LEU 50 7.316 5.900 -7.620 419 HD13 LEU 50 3HD1 LEU 50 8.476 4.976 -6.652 420 HD21 LEU 50 1HD2 LEU 50 7.734 3.727 -4.657 421 HD22 LEU 50 2HD2 LEU 50 6.069 3.783 -4.114 422 HD23 LEU 50 3HD2 LEU 50 7.075 5.231 -3.954 423 H VAL 51 H VAL 51 2.220 6.290 -3.527 424 HA VAL 51 HA VAL 51 0.526 7.315 -5.754 425 HB VAL 51 HB VAL 51 -1.273 7.274 -4.058 426 HG11 VAL 51 1HG1 VAL 51 0.012 4.644 -4.876 427 HG12 VAL 51 2HG1 VAL 51 -1.691 4.855 -4.404 428 HG13 VAL 51 3HG1 VAL 51 -1.051 5.621 -5.868 429 HG21 VAL 51 1HG2 VAL 51 -0.112 7.129 -1.971 430 HG22 VAL 51 2HG2 VAL 51 -1.110 5.697 -2.168 431 HG23 VAL 51 3HG2 VAL 51 0.651 5.589 -2.419 432 HA PRO 52 HA PRO 52 1.527 11.414 -4.577 433 HB2 PRO 52 2HB PRO 52 -0.628 12.874 -5.377 434 HB3 PRO 52 3HB PRO 52 0.543 12.140 -6.520 435 HG2 PRO 52 2HG PRO 52 -2.138 11.044 -5.667 436 HG3 PRO 52 3HG PRO 52 -1.510 11.192 -7.280 437 HD2 PRO 52 2HD PRO 52 -1.361 8.846 -5.881 438 HD3 PRO 52 3HD PRO 52 -0.033 9.345 -6.970 439 H SER 53 H SER 53 1.407 12.571 -2.801 440 HA SER 53 HA SER 53 -0.029 11.747 -0.522 441 HB2 SER 53 1HB SER 53 0.981 13.785 0.478 442 HB3 SER 53 2HB SER 53 2.155 12.787 -0.392 443 HG SER 53 HG SER 53 2.113 14.240 -2.099 444 H ASP 54 H ASP 54 -0.990 13.764 -3.111 445 HA ASP 54 HA ASP 54 -2.775 15.604 -1.807 446 HB2 ASP 54 1HB ASP 54 -2.540 14.561 -4.669 447 HB3 ASP 54 2HB ASP 54 -3.672 15.811 -4.177 448 H ILE 55 H ILE 55 -3.245 12.359 -3.367 449 HA ILE 55 HA ILE 55 -6.123 12.663 -3.314 450 HB ILE 55 HB ILE 55 -6.199 10.348 -4.010 451 HG12 ILE 55 1HG1 ILE 55 -3.358 9.818 -4.458 452 HG13 ILE 55 2HG1 ILE 55 -3.662 10.084 -2.757 453 HG21 ILE 55 1HG2 ILE 55 -4.141 11.976 -5.539 454 HG22 ILE 55 2HG2 ILE 55 -5.083 10.605 -6.172 455 HG23 ILE 55 3HG2 ILE 55 -5.890 12.095 -5.666 456 HD11 ILE 55 1HD1 ILE 55 -3.852 7.714 -3.409 457 HD12 ILE 55 2HD1 ILE 55 -5.345 8.346 -2.708 458 HD13 ILE 55 3HD1 ILE 55 -5.231 8.125 -4.469 459 H THR 56 H THR 56 -7.580 11.051 -2.180 460 HA THR 56 HA THR 56 -6.810 10.922 0.655 461 HB THR 56 HB THR 56 -9.298 10.630 0.912 462 HG1 THR 56 1HG THR 56 -10.485 11.160 -1.080 463 HG21 THR 56 1HG2 THR 56 -8.571 13.078 -0.752 464 HG22 THR 56 2HG2 THR 56 -8.254 12.896 0.997 465 HG23 THR 56 3HG2 THR 56 -9.914 12.916 0.395 466 H VAL 57 H VAL 57 -7.654 9.057 1.878 467 HA VAL 57 HA VAL 57 -6.658 6.552 0.993 468 HB VAL 57 HB VAL 57 -8.599 7.374 3.158 469 HG11 VAL 57 1HG1 VAL 57 -7.273 4.677 2.827 470 HG12 VAL 57 2HG1 VAL 57 -8.239 5.194 4.227 471 HG13 VAL 57 3HG1 VAL 57 -9.006 4.976 2.649 472 HG21 VAL 57 1HG2 VAL 57 -5.685 6.544 3.348 473 HG22 VAL 57 2HG2 VAL 57 -6.272 8.214 3.418 474 HG23 VAL 57 3HG2 VAL 57 -6.728 7.072 4.682 475 H ALA 58 H ALA 58 -9.875 8.034 0.689 476 HA ALA 58 HA ALA 58 -11.365 5.817 -0.182 477 HB1 ALA 58 1HB ALA 58 -12.279 8.126 0.394 478 HB2 ALA 58 2HB ALA 58 -11.619 8.720 -1.131 479 HB3 ALA 58 3HB ALA 58 -12.885 7.489 -1.141 480 H GLN 59 H GLN 59 -9.362 8.175 -2.148 481 HA GLN 59 HA GLN 59 -10.039 6.935 -4.623 482 HB2 GLN 59 1HB GLN 59 -7.743 8.755 -3.764 483 HB3 GLN 59 2HB GLN 59 -8.123 8.325 -5.446 484 HG2 GLN 59 1HG GLN 59 -10.341 9.383 -5.233 485 HG3 GLN 59 2HG GLN 59 -10.042 9.756 -3.534 486 HE21 GLN 59 1HE2 GLN 59 -7.959 11.832 -6.463 487 HE22 GLN 59 2HE2 GLN 59 -8.342 10.151 -6.692 488 H PHE 60 H PHE 60 -7.182 6.674 -2.396 489 HA PHE 60 HA PHE 60 -5.722 4.929 -4.081 490 HB2 PHE 60 2HB PHE 60 -4.702 5.973 -2.122 491 HB3 PHE 60 3HB PHE 60 -5.789 5.103 -1.049 492 HD1 PHE 60 1HD PHE 60 -4.076 4.108 0.281 493 HD2 PHE 60 2HD PHE 60 -4.089 3.436 -3.991 494 HE1 PHE 60 1HE PHE 60 -2.461 2.283 0.560 495 HE2 PHE 60 2HE PHE 60 -2.522 1.571 -3.699 496 HZ PHE 60 HZ PHE 60 -1.670 0.993 -1.423 497 H MET 61 H MET 61 -8.048 4.130 -1.459 498 HA MET 61 HA MET 61 -7.981 1.351 -1.682 499 HB2 MET 61 1HB MET 61 -9.125 2.665 0.105 500 HB3 MET 61 2HB MET 61 -10.349 3.186 -1.061 501 HG2 MET 61 1HG MET 61 -10.954 0.746 -1.399 502 HG3 MET 61 2HG MET 61 -9.775 0.352 -0.160 503 HE1 MET 61 1HE MET 61 -13.876 2.312 0.543 504 HE2 MET 61 2HE MET 61 -12.656 3.196 -0.397 505 HE3 MET 61 3HE MET 61 -13.279 1.626 -0.978 506 H TRP 62 H TRP 62 -10.140 3.655 -3.430 507 HA TRP 62 HA TRP 62 -11.492 1.683 -4.947 508 HB2 TRP 62 2HB TRP 62 -11.082 4.626 -5.299 509 HB3 TRP 62 3HB TRP 62 -11.816 3.657 -6.563 510 HD1 TRP 62 HD1 TRP 62 -12.445 3.445 -2.753 511 HE1 TRP 62 1HE TRP 62 -14.974 3.729 -2.319 512 HE3 TRP 62 3HE TRP 62 -14.000 4.257 -7.547 513 HZ2 TRP 62 2HZ TRP 62 -17.346 4.281 -3.861 514 HZ3 TRP 62 3HZ TRP 62 -16.389 4.686 -8.037 515 HH2 TRP 62 HH2 TRP 62 -18.060 4.730 -6.213 516 H ILE 63 H ILE 63 -8.340 3.333 -5.579 517 HA ILE 63 HA ILE 63 -8.121 2.225 -8.216 518 HB ILE 63 HB ILE 63 -5.940 3.237 -6.365 519 HG12 ILE 63 1HG1 ILE 63 -7.066 4.641 -8.801 520 HG13 ILE 63 2HG1 ILE 63 -7.921 4.813 -7.296 521 HG21 ILE 63 1HG2 ILE 63 -4.875 1.882 -8.050 522 HG22 ILE 63 2HG2 ILE 63 -5.990 2.447 -9.318 523 HG23 ILE 63 3HG2 ILE 63 -4.782 3.544 -8.663 524 HD11 ILE 63 1HD1 ILE 63 -5.762 5.576 -6.194 525 HD12 ILE 63 2HD1 ILE 63 -5.059 5.669 -7.823 526 HD13 ILE 63 3HD1 ILE 63 -6.451 6.680 -7.378 527 H ILE 64 H ILE 64 -6.947 0.995 -4.983 528 HA ILE 64 HA ILE 64 -5.530 -1.217 -6.076 529 HB ILE 64 HB ILE 64 -7.117 -1.118 -3.466 530 HG12 ILE 64 1HG1 ILE 64 -4.108 -0.704 -3.813 531 HG13 ILE 64 2HG1 ILE 64 -5.262 0.618 -3.714 532 HG21 ILE 64 1HG2 ILE 64 -6.588 -3.467 -4.124 533 HG22 ILE 64 2HG2 ILE 64 -4.879 -3.027 -4.312 534 HG23 ILE 64 3HG2 ILE 64 -5.657 -3.000 -2.719 535 HD11 ILE 64 1HD1 ILE 64 -4.491 0.356 -1.492 536 HD12 ILE 64 2HD1 ILE 64 -6.083 -0.382 -1.522 537 HD13 ILE 64 3HD1 ILE 64 -4.626 -1.403 -1.541 538 H ARG 65 H ARG 65 -9.007 -1.067 -4.939 539 HA ARG 65 HA ARG 65 -9.547 -3.680 -5.868 540 HB2 ARG 65 1HB ARG 65 -11.859 -3.180 -5.619 541 HB3 ARG 65 2HB ARG 65 -10.924 -2.561 -4.258 542 HG2 ARG 65 1HG ARG 65 -11.113 -0.330 -4.966 543 HG3 ARG 65 2HG ARG 65 -11.798 -0.758 -6.543 544 HD2 ARG 65 1HD ARG 65 -13.163 -1.236 -3.872 545 HD3 ARG 65 2HD ARG 65 -13.495 0.105 -4.997 546 HE ARG 65 HE ARG 65 -13.552 -2.429 -6.338 547 HH11 ARG 65 1HH1 ARG 65 -15.569 0.038 -4.872 548 HH12 ARG 65 2HH1 ARG 65 -17.020 -0.528 -5.569 549 HH21 ARG 65 1HH2 ARG 65 -15.358 -3.306 -7.149 550 HH22 ARG 65 2HH2 ARG 65 -16.913 -2.594 -6.864 551 H LYS 66 H LYS 66 -9.772 -0.610 -7.728 552 HA LYS 66 HA LYS 66 -10.974 -1.851 -10.024 553 HB2 LYS 66 1HB LYS 66 -9.389 0.722 -9.638 554 HB3 LYS 66 2HB LYS 66 -9.975 0.199 -11.226 555 HG2 LYS 66 1HG LYS 66 -12.241 0.118 -10.501 556 HG3 LYS 66 2HG LYS 66 -11.828 0.521 -8.839 557 HD2 LYS 66 1HD LYS 66 -11.464 2.362 -11.239 558 HD3 LYS 66 2HD LYS 66 -12.805 2.422 -10.091 559 HE2 LYS 66 1HE LYS 66 -11.211 2.800 -8.242 560 HE3 LYS 66 2HE LYS 66 -9.869 2.840 -9.390 561 HZ1 LYS 66 1HZ LYS 66 -12.111 4.798 -9.496 562 HZ2 LYS 66 2HZ LYS 66 -10.714 4.835 -10.331 563 HZ3 LYS 66 3HZ LYS 66 -10.699 5.064 -8.725 564 H ARG 67 H ARG 67 -7.540 -1.351 -9.082 565 HA ARG 67 HA ARG 67 -6.423 -2.212 -11.528 566 HB2 ARG 67 1HB ARG 67 -5.480 -2.000 -8.670 567 HB3 ARG 67 2HB ARG 67 -4.514 -2.952 -9.763 568 HG2 ARG 67 1HG ARG 67 -5.308 -0.107 -10.481 569 HG3 ARG 67 2HG ARG 67 -3.937 -0.463 -9.435 570 HD2 ARG 67 1HD ARG 67 -3.036 -0.195 -11.618 571 HD3 ARG 67 2HD ARG 67 -2.931 -1.904 -11.219 572 HE ARG 67 HE ARG 67 -4.376 -2.416 -12.941 573 HH11 ARG 67 1HH1 ARG 67 -4.362 1.110 -12.531 574 HH12 ARG 67 2HH1 ARG 67 -5.202 1.433 -13.993 575 HH21 ARG 67 1HH2 ARG 67 -5.708 -2.042 -14.681 576 HH22 ARG 67 2HH2 ARG 67 -6.217 -0.428 -15.130 577 H ILE 68 H ILE 68 -7.259 -4.084 -8.569 578 HA ILE 68 HA ILE 68 -6.528 -6.574 -9.893 579 HB ILE 68 HB ILE 68 -6.962 -7.629 -7.879 580 HG12 ILE 68 1HG1 ILE 68 -8.392 -5.158 -6.868 581 HG13 ILE 68 2HG1 ILE 68 -9.172 -6.668 -7.338 582 HG21 ILE 68 1HG2 ILE 68 -5.843 -4.952 -6.995 583 HG22 ILE 68 2HG2 ILE 68 -5.443 -6.573 -6.403 584 HG23 ILE 68 3HG2 ILE 68 -4.962 -6.088 -8.031 585 HD11 ILE 68 1HD1 ILE 68 -9.064 -6.772 -5.018 586 HD12 ILE 68 2HD1 ILE 68 -7.769 -7.844 -5.563 587 HD13 ILE 68 3HD1 ILE 68 -7.375 -6.220 -4.945 588 H GLN 69 H GLN 69 -9.180 -4.650 -10.300 589 HA GLN 69 HA GLN 69 -11.194 -4.820 -11.136 590 HB2 GLN 69 1HB GLN 69 -9.963 -7.318 -12.315 591 HB3 GLN 69 2HB GLN 69 -11.625 -6.882 -12.682 592 HG2 GLN 69 1HG GLN 69 -9.359 -4.918 -13.068 593 HG3 GLN 69 2HG GLN 69 -9.867 -6.066 -14.304 594 HE21 GLN 69 1HE2 GLN 69 -12.874 -4.358 -15.133 595 HE22 GLN 69 2HE2 GLN 69 -11.997 -5.880 -15.268 596 H LEU 70 H LEU 70 -11.521 -5.103 -8.624 597 HA LEU 70 HA LEU 70 -12.625 -7.531 -7.695 598 HB2 LEU 70 1HB LEU 70 -11.686 -5.819 -6.280 599 HB3 LEU 70 2HB LEU 70 -12.972 -4.698 -6.708 600 HG LEU 70 HG LEU 70 -12.919 -6.019 -4.445 601 HD11 LEU 70 1HD1 LEU 70 -15.545 -5.621 -5.891 602 HD12 LEU 70 2HD1 LEU 70 -14.634 -4.403 -4.964 603 HD13 LEU 70 3HD1 LEU 70 -15.319 -5.810 -4.154 604 HD21 LEU 70 1HD2 LEU 70 -14.667 -7.988 -5.870 605 HD22 LEU 70 2HD2 LEU 70 -14.030 -8.013 -4.218 606 HD23 LEU 70 3HD2 LEU 70 -12.938 -8.282 -5.583 607 HA PRO 71 HA PRO 71 -16.576 -6.977 -9.969 608 HB2 PRO 71 2HB PRO 71 -17.664 -9.453 -9.392 609 HB3 PRO 71 3HB PRO 71 -16.419 -9.200 -10.642 610 HG2 PRO 71 2HG PRO 71 -16.006 -10.117 -7.773 611 HG3 PRO 71 3HG PRO 71 -15.359 -10.828 -9.288 612 HD2 PRO 71 2HD PRO 71 -13.928 -9.154 -7.711 613 HD3 PRO 71 3HD PRO 71 -13.790 -9.119 -9.482 614 H SER 72 H SER 72 -18.824 -6.708 -9.284 615 HA SER 72 HA SER 72 -19.154 -5.888 -6.592 616 HB2 SER 72 1HB SER 72 -21.164 -6.448 -8.803 617 HB3 SER 72 2HB SER 72 -21.595 -5.752 -7.227 618 HG SER 72 HG SER 72 -21.206 -4.059 -8.610 619 H GLU 73 H GLU 73 -19.199 -9.151 -7.793 620 HA GLU 73 HA GLU 73 -21.108 -10.181 -5.902 621 HB2 GLU 73 1HB GLU 73 -20.151 -12.374 -6.372 622 HB3 GLU 73 2HB GLU 73 -20.643 -11.538 -7.811 623 HG2 GLU 73 1HG GLU 73 -18.629 -11.611 -8.742 624 HG3 GLU 73 2HG GLU 73 -17.860 -10.961 -7.316 625 H LYS 74 H LYS 74 -17.566 -9.540 -5.777 626 HA LYS 74 HA LYS 74 -17.578 -10.516 -2.962 627 HB2 LYS 74 1HB LYS 74 -15.127 -9.984 -4.666 628 HB3 LYS 74 2HB LYS 74 -15.168 -10.654 -3.044 629 HG2 LYS 74 1HG LYS 74 -16.230 -11.922 -5.573 630 HG3 LYS 74 2HG LYS 74 -14.767 -12.364 -4.714 631 HD2 LYS 74 1HD LYS 74 -17.527 -12.628 -3.425 632 HD3 LYS 74 2HD LYS 74 -16.837 -13.829 -4.466 633 HE2 LYS 74 1HE LYS 74 -16.292 -14.618 -2.378 634 HE3 LYS 74 2HE LYS 74 -14.780 -13.885 -2.908 635 HZ1 LYS 74 1HZ LYS 74 -16.713 -12.455 -1.163 636 HZ2 LYS 74 2HZ LYS 74 -15.106 -12.147 -1.310 637 HZ3 LYS 74 3HZ LYS 74 -15.627 -13.483 -0.539 638 H ALA 75 H ALA 75 -16.108 -9.324 -1.497 639 HA ALA 75 HA ALA 75 -16.558 -6.397 -1.705 640 HB1 ALA 75 1HB ALA 75 -16.445 -8.221 0.747 641 HB2 ALA 75 2HB ALA 75 -16.632 -6.454 0.774 642 HB3 ALA 75 3HB ALA 75 -17.913 -7.459 0.074 643 H ILE 76 H ILE 76 -14.773 -5.262 -0.320 644 HA ILE 76 HA ILE 76 -12.245 -6.688 -0.150 645 HB ILE 76 HB ILE 76 -12.181 -6.120 -2.427 646 HG12 ILE 76 1HG1 ILE 76 -10.459 -3.906 -1.379 647 HG13 ILE 76 2HG1 ILE 76 -10.188 -5.531 -0.733 648 HG21 ILE 76 1HG2 ILE 76 -12.702 -3.181 -1.799 649 HG22 ILE 76 2HG2 ILE 76 -12.434 -3.918 -3.388 650 HG23 ILE 76 3HG2 ILE 76 -13.897 -4.296 -2.499 651 HD11 ILE 76 1HD1 ILE 76 -10.164 -4.836 -3.690 652 HD12 ILE 76 2HD1 ILE 76 -8.734 -5.041 -2.656 653 HD13 ILE 76 3HD1 ILE 76 -9.818 -6.416 -2.945 654 H PHE 77 H PHE 77 -11.169 -5.968 1.608 655 HA PHE 77 HA PHE 77 -11.892 -3.322 2.781 656 HB2 PHE 77 2HB PHE 77 -11.429 -5.974 4.190 657 HB3 PHE 77 3HB PHE 77 -11.730 -4.433 4.975 658 HD1 PHE 77 1HD PHE 77 -13.235 -7.188 3.005 659 HD2 PHE 77 2HD PHE 77 -13.997 -3.512 5.125 660 HE1 PHE 77 1HE PHE 77 -15.665 -7.687 3.001 661 HE2 PHE 77 2HE PHE 77 -16.424 -4.030 5.140 662 HZ PHE 77 HZ PHE 77 -17.263 -6.112 4.079 663 H LEU 78 H LEU 78 -10.142 -2.267 3.827 664 HA LEU 78 HA LEU 78 -7.416 -3.375 3.329 665 HB2 LEU 78 1HB LEU 78 -8.364 -0.479 3.504 666 HB3 LEU 78 2HB LEU 78 -6.681 -0.984 3.403 667 HG LEU 78 HG LEU 78 -8.787 -1.414 1.292 668 HD11 LEU 78 1HD1 LEU 78 -7.514 0.194 -0.005 669 HD12 LEU 78 2HD1 LEU 78 -6.306 0.349 1.282 670 HD13 LEU 78 3HD1 LEU 78 -7.965 0.921 1.536 671 HD21 LEU 78 1HD2 LEU 78 -5.868 -2.235 1.323 672 HD22 LEU 78 2HD2 LEU 78 -6.853 -2.157 -0.153 673 HD23 LEU 78 3HD2 LEU 78 -7.306 -3.262 1.146 674 H PHE 79 H PHE 79 -5.864 -2.972 4.860 675 HA PHE 79 HA PHE 79 -6.700 -2.043 7.554 676 HB2 PHE 79 2HB PHE 79 -5.242 -4.675 7.093 677 HB3 PHE 79 3HB PHE 79 -5.895 -4.052 8.603 678 HD1 PHE 79 1HD PHE 79 -6.701 -5.690 5.377 679 HD2 PHE 79 2HD PHE 79 -8.363 -4.113 9.029 680 HE1 PHE 79 1HE PHE 79 -8.861 -6.749 4.844 681 HE2 PHE 79 2HE PHE 79 -10.527 -5.213 8.505 682 HZ PHE 79 HZ PHE 79 -10.781 -6.557 6.434 683 H VAL 80 H VAL 80 -4.970 -1.039 8.677 684 HA VAL 80 HA VAL 80 -2.239 -1.223 7.604 685 HB VAL 80 HB VAL 80 -3.284 0.598 6.415 686 HG11 VAL 80 1HG1 VAL 80 -4.947 1.334 8.206 687 HG12 VAL 80 2HG1 VAL 80 -3.596 2.053 9.080 688 HG13 VAL 80 3HG1 VAL 80 -4.032 2.678 7.502 689 HG21 VAL 80 1HG2 VAL 80 -0.915 0.696 6.850 690 HG22 VAL 80 2HG2 VAL 80 -1.570 2.336 6.996 691 HG23 VAL 80 3HG2 VAL 80 -1.221 1.388 8.448 692 H ASP 81 H ASP 81 -0.841 -1.396 9.399 693 HA ASP 81 HA ASP 81 -0.390 -1.844 11.606 694 HB2 ASP 81 1HB ASP 81 -1.472 0.996 11.635 695 HB3 ASP 81 2HB ASP 81 -0.667 0.272 13.022 696 H LYS 82 H LYS 82 -2.898 -3.007 10.924 697 HA LYS 82 HA LYS 82 -4.569 -4.085 11.956 698 HB2 LYS 82 1HB LYS 82 -2.597 -3.981 13.791 699 HB3 LYS 82 2HB LYS 82 -3.804 -3.084 14.682 700 HG2 LYS 82 1HG LYS 82 -3.975 -5.285 15.380 701 HG3 LYS 82 2HG LYS 82 -5.381 -5.044 14.329 702 HD2 LYS 82 1HD LYS 82 -4.212 -6.252 12.503 703 HD3 LYS 82 2HD LYS 82 -2.750 -6.355 13.508 704 HE2 LYS 82 1HE LYS 82 -4.167 -7.582 15.232 705 HE3 LYS 82 2HE LYS 82 -5.451 -7.683 14.016 706 HZ1 LYS 82 1HZ LYS 82 -3.977 -9.659 14.157 707 HZ2 LYS 82 2HZ LYS 82 -2.711 -8.742 13.668 708 HZ3 LYS 82 3HZ LYS 82 -3.973 -9.013 12.652 709 H THR 83 H THR 83 -4.863 -1.129 11.227 710 HA THR 83 HA THR 83 -7.397 -0.653 12.703 711 HB THR 83 HB THR 83 -7.062 1.679 12.703 712 HG1 THR 83 1HG THR 83 -5.084 2.605 12.009 713 HG21 THR 83 1HG2 THR 83 -6.001 0.456 14.559 714 HG22 THR 83 2HG2 THR 83 -5.193 1.987 14.203 715 HG23 THR 83 3HG2 THR 83 -4.455 0.466 13.669 716 H VAL 84 H VAL 84 -8.884 0.834 11.496 717 HA VAL 84 HA VAL 84 -8.951 0.112 8.620 718 HB VAL 84 HB VAL 84 -11.241 0.871 10.482 719 HG11 VAL 84 1HG1 VAL 84 -11.643 1.647 8.180 720 HG12 VAL 84 2HG1 VAL 84 -11.208 0.049 7.540 721 HG13 VAL 84 3HG1 VAL 84 -12.667 0.254 8.534 722 HG21 VAL 84 1HG2 VAL 84 -11.912 -1.564 9.852 723 HG22 VAL 84 2HG2 VAL 84 -10.231 -1.773 9.385 724 HG23 VAL 84 3HG2 VAL 84 -10.647 -1.334 11.062 725 HA PRO 85 HA PRO 85 -7.846 4.504 8.815 726 HB2 PRO 85 2HB PRO 85 -7.038 4.902 6.228 727 HB3 PRO 85 3HB PRO 85 -6.060 4.066 7.466 728 HG2 PRO 85 2HG PRO 85 -7.759 2.843 5.295 729 HG3 PRO 85 3HG PRO 85 -6.124 2.353 5.873 730 HD2 PRO 85 2HD PRO 85 -8.493 1.140 6.651 731 HD3 PRO 85 3HD PRO 85 -7.007 1.159 7.639 732 H GLN 86 H GLN 86 -8.774 6.388 8.251 733 HA GLN 86 HA GLN 86 -11.562 6.344 7.458 734 HB2 GLN 86 1HB GLN 86 -10.731 7.796 9.216 735 HB3 GLN 86 2HB GLN 86 -9.629 8.602 8.085 736 HG2 GLN 86 1HG GLN 86 -11.571 9.449 6.797 737 HG3 GLN 86 2HG GLN 86 -12.665 8.619 7.914 738 HE21 GLN 86 1HE2 GLN 86 -12.510 12.150 9.036 739 HE22 GLN 86 2HE2 GLN 86 -13.232 11.229 7.739 740 H SER 87 H SER 87 -12.187 6.291 5.334 741 HA SER 87 HA SER 87 -10.608 6.490 3.092 742 HB2 SER 87 1HB SER 87 -12.825 6.770 1.925 743 HB3 SER 87 2HB SER 87 -12.742 5.448 3.096 744 HG SER 87 HG SER 87 -14.607 6.549 3.565 745 H SER 88 H SER 88 -12.327 9.175 4.712 746 HA SER 88 HA SER 88 -11.735 11.116 2.663 747 HB2 SER 88 1HB SER 88 -13.609 11.032 4.322 748 HB3 SER 88 2HB SER 88 -12.442 11.490 5.586 749 HG SER 88 HG SER 88 -13.020 12.993 3.253 750 H LEU 89 H LEU 89 -9.585 9.762 5.082 751 HA LEU 89 HA LEU 89 -8.139 12.176 5.658 752 HB2 LEU 89 1HB LEU 89 -8.203 10.132 7.088 753 HB3 LEU 89 2HB LEU 89 -7.249 9.279 5.868 754 HG LEU 89 HG LEU 89 -5.341 10.767 6.230 755 HD11 LEU 89 1HD1 LEU 89 -5.357 12.400 8.148 756 HD12 LEU 89 2HD1 LEU 89 -7.115 12.202 8.266 757 HD13 LEU 89 3HD1 LEU 89 -6.380 12.914 6.815 758 HD21 LEU 89 1HD2 LEU 89 -4.758 10.052 8.474 759 HD22 LEU 89 2HD2 LEU 89 -5.711 8.775 7.701 760 HD23 LEU 89 3HD2 LEU 89 -6.474 9.834 8.898 761 H THR 90 H THR 90 -6.032 12.798 4.824 762 HA THR 90 HA THR 90 -5.781 12.300 1.978 763 HB THR 90 HB THR 90 -3.750 13.991 3.335 764 HG1 THR 90 1HG THR 90 -5.496 15.692 3.438 765 HG21 THR 90 1HG2 THR 90 -4.170 13.912 0.860 766 HG22 THR 90 2HG2 THR 90 -4.343 15.539 1.542 767 HG23 THR 90 3HG2 THR 90 -5.793 14.573 1.140 768 H MET 91 H MET 91 -3.925 11.465 0.923 769 HA MET 91 HA MET 91 -2.651 9.290 2.128 770 HB2 MET 91 1HB MET 91 -2.150 10.962 -0.350 771 HB3 MET 91 2HB MET 91 -0.906 9.814 0.133 772 HG2 MET 91 1HG MET 91 -3.765 9.161 -0.596 773 HG3 MET 91 2HG MET 91 -2.312 8.870 -1.546 774 HE1 MET 91 1HE MET 91 -4.288 6.150 1.327 775 HE2 MET 91 2HE MET 91 -4.343 7.901 1.611 776 HE3 MET 91 3HE MET 91 -4.885 7.236 0.056 777 H GLY 92 H GLY 92 -1.395 12.619 1.632 778 HA2 GLY 92 1HA GLY 92 1.201 12.158 2.668 779 HA3 GLY 92 2HA GLY 92 0.362 13.714 2.599 780 H GLN 93 H GLN 93 -1.849 13.079 4.380 781 HA GLN 93 HA GLN 93 -0.576 13.622 6.881 782 HB2 GLN 93 1HB GLN 93 -3.432 12.945 5.999 783 HB3 GLN 93 2HB GLN 93 -3.009 13.227 7.670 784 HG2 GLN 93 1HG GLN 93 -2.708 15.226 5.413 785 HG3 GLN 93 2HG GLN 93 -3.923 15.233 6.688 786 HE21 GLN 93 1HE2 GLN 93 -0.191 16.738 7.466 787 HE22 GLN 93 2HE2 GLN 93 -0.610 16.060 5.889 788 H LEU 94 H LEU 94 -2.320 10.791 5.617 789 HA LEU 94 HA LEU 94 -1.925 9.213 7.976 790 HB2 LEU 94 1HB LEU 94 -3.669 8.737 6.478 791 HB3 LEU 94 2HB LEU 94 -2.618 8.458 5.106 792 HG LEU 94 HG LEU 94 -2.338 6.803 7.646 793 HD11 LEU 94 1HD1 LEU 94 -4.009 5.205 6.879 794 HD12 LEU 94 2HD1 LEU 94 -4.405 6.232 5.482 795 HD13 LEU 94 3HD1 LEU 94 -4.759 6.777 7.138 796 HD21 LEU 94 1HD2 LEU 94 -1.720 4.994 6.144 797 HD22 LEU 94 2HD2 LEU 94 -0.705 6.377 5.793 798 HD23 LEU 94 3HD2 LEU 94 -2.083 5.977 4.717 799 H TYR 95 H TYR 95 0.066 9.792 5.102 800 HA TYR 95 HA TYR 95 1.959 7.706 5.639 801 HB2 TYR 95 2HB TYR 95 1.894 8.706 3.417 802 HB3 TYR 95 3HB TYR 95 2.183 10.308 4.072 803 HD1 TYR 95 1HD TYR 95 4.010 7.101 4.959 804 HD2 TYR 95 2HD TYR 95 4.204 10.987 3.063 805 HE1 TYR 95 1HE TYR 95 6.374 6.794 4.603 806 HE2 TYR 95 2HE TYR 95 6.607 10.652 2.631 807 HH TYR 95 HH TYR 95 8.257 7.584 3.477 808 H GLU 96 H GLU 96 2.129 11.318 6.238 809 HA GLU 96 HA GLU 96 4.538 11.139 7.644 810 HB2 GLU 96 1HB GLU 96 3.323 13.213 6.705 811 HB3 GLU 96 2HB GLU 96 2.425 13.225 8.225 812 HG2 GLU 96 1HG GLU 96 5.112 12.937 9.061 813 HG3 GLU 96 2HG GLU 96 5.272 13.913 7.603 814 H LYS 97 H LYS 97 1.182 10.879 8.954 815 HA LYS 97 HA LYS 97 2.191 10.755 11.661 816 HB2 LYS 97 1HB LYS 97 0.056 10.642 12.424 817 HB3 LYS 97 2HB LYS 97 -0.070 11.603 10.969 818 HG2 LYS 97 1HG LYS 97 -1.888 10.250 10.660 819 HG3 LYS 97 2HG LYS 97 -0.648 9.279 9.868 820 HD2 LYS 97 1HD LYS 97 -1.985 7.837 11.224 821 HD3 LYS 97 2HD LYS 97 -0.401 7.964 12.014 822 HE2 LYS 97 1HE LYS 97 -1.335 9.528 13.663 823 HE3 LYS 97 2HE LYS 97 -2.912 9.425 12.851 824 HZ1 LYS 97 1HZ LYS 97 -2.891 7.929 14.682 825 HZ2 LYS 97 2HZ LYS 97 -1.518 7.193 14.219 826 HZ3 LYS 97 3HZ LYS 97 -2.868 7.011 13.314 827 H GLU 98 H GLU 98 1.530 8.248 9.179 828 HA GLU 98 HA GLU 98 2.145 6.199 11.256 829 HB2 GLU 98 1HB GLU 98 1.131 5.737 8.436 830 HB3 GLU 98 2HB GLU 98 1.298 4.594 9.774 831 HG2 GLU 98 1HG GLU 98 -0.323 6.022 11.087 832 HG3 GLU 98 2HG GLU 98 -0.687 6.899 9.593 833 H LYS 99 H LYS 99 3.970 8.085 9.376 834 HA LYS 99 HA LYS 99 5.647 6.682 7.774 835 HB2 LYS 99 1HB LYS 99 5.562 9.115 8.241 836 HB3 LYS 99 2HB LYS 99 6.391 8.861 9.749 837 HG2 LYS 99 1HG LYS 99 7.636 7.837 7.174 838 HG3 LYS 99 2HG LYS 99 7.577 9.584 7.415 839 HD2 LYS 99 1HD LYS 99 8.741 7.668 9.447 840 HD3 LYS 99 2HD LYS 99 9.719 8.525 8.249 841 HE2 LYS 99 1HE LYS 99 9.610 10.499 9.368 842 HE3 LYS 99 2HE LYS 99 7.877 10.337 9.665 843 HZ1 LYS 99 1HZ LYS 99 9.216 10.289 11.712 844 HZ2 LYS 99 2HZ LYS 99 9.920 8.866 11.234 845 HZ3 LYS 99 3HZ LYS 99 8.323 8.948 11.553 846 H ASP 100 H ASP 100 6.723 4.818 8.076 847 HA ASP 100 HA ASP 100 7.332 3.854 10.730 848 HB2 ASP 100 1HB ASP 100 6.513 2.445 8.794 849 HB3 ASP 100 2HB ASP 100 8.111 2.624 8.048 850 H GLU 101 H GLU 101 9.586 2.631 10.972 851 HA GLU 101 HA GLU 101 11.634 4.547 11.294 852 HB2 GLU 101 1HB GLU 101 13.080 2.628 11.751 853 HB3 GLU 101 2HB GLU 101 11.538 2.491 12.607 854 HG2 GLU 101 1HG GLU 101 10.710 0.871 11.019 855 HG3 GLU 101 2HG GLU 101 12.095 1.084 9.952 856 H ASP 102 H ASP 102 10.723 2.594 8.554 857 HA ASP 102 HA ASP 102 13.157 3.307 7.001 858 HB2 ASP 102 1HB ASP 102 11.206 1.041 7.000 859 HB3 ASP 102 2HB ASP 102 11.731 1.591 5.418 860 H GLY 103 H GLY 103 10.352 4.753 7.665 861 HA2 GLY 103 1HA GLY 103 9.136 6.366 6.694 862 HA3 GLY 103 2HA GLY 103 10.414 6.559 5.499 863 H PHE 104 H PHE 104 8.497 3.529 5.859 864 HA PHE 104 HA PHE 104 7.065 4.169 3.345 865 HB2 PHE 104 2HB PHE 104 7.517 2.145 2.383 866 HB3 PHE 104 3HB PHE 104 9.076 2.504 3.113 867 HD1 PHE 104 1HD PHE 104 6.333 0.143 2.900 868 HD2 PHE 104 2HD PHE 104 9.484 1.488 5.510 869 HE1 PHE 104 1HE PHE 104 6.121 -1.928 4.221 870 HE2 PHE 104 2HE PHE 104 9.237 -0.581 6.863 871 HZ PHE 104 HZ PHE 104 7.531 -2.258 6.253 872 H LEU 105 H LEU 105 5.117 2.636 3.096 873 HA LEU 105 HA LEU 105 3.800 2.243 5.766 874 HB2 LEU 105 1HB LEU 105 3.157 4.219 4.252 875 HB3 LEU 105 2HB LEU 105 2.573 3.022 3.109 876 HG LEU 105 HG LEU 105 1.191 2.210 5.321 877 HD11 LEU 105 1HD1 LEU 105 0.405 4.182 6.559 878 HD12 LEU 105 2HD1 LEU 105 1.528 5.237 5.661 879 HD13 LEU 105 3HD1 LEU 105 2.130 3.980 6.753 880 HD21 LEU 105 1HD2 LEU 105 0.367 4.552 3.581 881 HD22 LEU 105 2HD2 LEU 105 -0.714 3.446 4.473 882 HD23 LEU 105 3HD2 LEU 105 0.237 2.839 3.106 883 H TYR 106 H TYR 106 2.701 0.264 6.067 884 HA TYR 106 HA TYR 106 2.733 -1.688 3.831 885 HB2 TYR 106 2HB TYR 106 2.903 -3.427 5.481 886 HB3 TYR 106 3HB TYR 106 4.258 -2.331 5.580 887 HD1 TYR 106 1HD TYR 106 4.630 -0.924 7.612 888 HD2 TYR 106 2HD TYR 106 1.316 -3.660 7.321 889 HE1 TYR 106 1HE TYR 106 4.315 -0.797 10.037 890 HE2 TYR 106 2HE TYR 106 1.006 -3.551 9.790 891 HH TYR 106 HH TYR 106 2.924 -1.396 11.879 892 H VAL 107 H VAL 107 0.737 -2.045 2.984 893 HA VAL 107 HA VAL 107 -1.629 -1.887 4.801 894 HB VAL 107 HB VAL 107 -1.251 -0.813 2.021 895 HG11 VAL 107 1HG1 VAL 107 -3.861 -1.438 3.400 896 HG12 VAL 107 2HG1 VAL 107 -3.707 -0.237 2.067 897 HG13 VAL 107 3HG1 VAL 107 -3.314 -1.929 1.798 898 HG21 VAL 107 1HG2 VAL 107 -2.107 0.465 4.605 899 HG22 VAL 107 2HG2 VAL 107 -0.587 0.704 3.756 900 HG23 VAL 107 3HG2 VAL 107 -2.089 1.280 3.023 901 H ALA 108 H ALA 108 -2.908 -3.623 4.784 902 HA ALA 108 HA ALA 108 -2.318 -5.769 2.792 903 HB1 ALA 108 1HB ALA 108 -2.925 -7.362 4.492 904 HB2 ALA 108 2HB ALA 108 -1.654 -6.313 5.112 905 HB3 ALA 108 3HB ALA 108 -3.340 -6.060 5.637 906 H TYR 109 H TYR 109 -4.184 -6.905 1.956 907 HA TYR 109 HA TYR 109 -6.794 -5.609 2.546 908 HB2 TYR 109 2HB TYR 109 -7.392 -5.442 0.300 909 HB3 TYR 109 3HB TYR 109 -5.775 -4.765 0.391 910 HD1 TYR 109 1HD TYR 109 -7.862 -7.483 -0.983 911 HD2 TYR 109 2HD TYR 109 -3.861 -5.921 -0.627 912 HE1 TYR 109 1HE TYR 109 -7.142 -8.872 -2.914 913 HE2 TYR 109 2HE TYR 109 -3.174 -7.251 -2.590 914 HH TYR 109 HH TYR 109 -5.261 -9.668 -4.173 915 H SER 110 H SER 110 -8.633 -6.879 2.190 916 HA SER 110 HA SER 110 -8.190 -9.777 1.785 917 HB2 SER 110 1HB SER 110 -9.911 -8.647 4.025 918 HB3 SER 110 2HB SER 110 -9.552 -10.338 3.692 919 HG SER 110 HG SER 110 -8.034 -10.119 5.025 920 H GLY 111 H GLY 111 -10.085 -10.845 1.094 921 HA2 GLY 111 1HA GLY 111 -12.169 -9.097 -0.139 922 HA3 GLY 111 2HA GLY 111 -11.684 -10.700 -0.710 923 H GLU 112 H GLU 112 -12.166 -10.019 2.713 924 HA GLU 112 HA GLU 112 -14.782 -11.251 2.884 925 HB2 GLU 112 1HB GLU 112 -14.017 -12.873 4.519 926 HB3 GLU 112 2HB GLU 112 -13.080 -13.107 3.039 927 HG2 GLU 112 1HG GLU 112 -11.287 -11.598 4.173 928 HG3 GLU 112 2HG GLU 112 -12.192 -11.834 5.668 929 H ASN 113 H ASN 113 -15.705 -10.619 4.903 930 HA ASN 113 HA ASN 113 -14.613 -8.096 6.017 931 HB2 ASN 113 1HB ASN 113 -16.962 -8.185 5.395 932 HB3 ASN 113 2HB ASN 113 -17.225 -9.593 6.423 933 HD21 ASN 113 1HD2 ASN 113 -18.045 -7.551 9.168 934 HD22 ASN 113 2HD2 ASN 113 -18.101 -9.131 8.426 935 H THR 114 H THR 114 -15.075 -11.495 6.982 936 HA THR 114 HA THR 114 -13.947 -10.901 9.658 937 HB THR 114 HB THR 114 -15.209 -13.238 10.037 938 HG1 THR 114 1HG THR 114 -16.368 -13.582 8.294 939 HG21 THR 114 1HG2 THR 114 -16.483 -10.463 10.096 940 HG22 THR 114 2HG2 THR 114 -15.560 -11.250 11.392 941 HG23 THR 114 3HG2 THR 114 -17.134 -11.902 10.921 942 H PHE 115 H PHE 115 -11.941 -11.321 9.564 943 HA PHE 115 HA PHE 115 -10.699 -13.191 7.714 944 HB2 PHE 115 2HB PHE 115 -8.638 -12.318 8.918 945 HB3 PHE 115 3HB PHE 115 -9.665 -11.045 8.290 946 HD1 PHE 115 1HD PHE 115 -8.939 -12.952 11.494 947 HD2 PHE 115 2HD PHE 115 -10.520 -9.330 9.715 948 HE1 PHE 115 1HE PHE 115 -9.411 -12.033 13.729 949 HE2 PHE 115 2HE PHE 115 -10.933 -8.428 11.973 950 HZ PHE 115 HZ PHE 115 -10.366 -9.762 13.990 951 H GLY 116 H GLY 116 -12.449 -13.831 10.406 952 HA2 GLY 116 1HA GLY 116 -12.237 -16.331 10.978 953 HA3 GLY 116 2HA GLY 116 -10.755 -15.740 11.793 954 H1 GLY 330 H GLY 330 27.007 -3.059 1.822 955 HA2 GLY 330 1HA GLY 330 25.495 -0.557 1.347 956 HA3 GLY 330 2HA GLY 330 27.210 -0.788 0.932 957 H ALA 331 H ALA 331 24.118 -0.822 -0.311 958 HA ALA 331 HA ALA 331 23.059 -1.711 -2.067 959 HB1 ALA 331 1HB ALA 331 24.465 0.031 -3.012 960 HB2 ALA 331 2HB ALA 331 25.763 -1.153 -3.287 961 HB3 ALA 331 3HB ALA 331 24.231 -1.299 -4.165 962 H MET 332 H MET 332 23.230 -3.812 -0.692 963 HA MET 332 HA MET 332 24.815 -5.954 -1.973 964 HB2 MET 332 1HB MET 332 22.833 -5.991 0.334 965 HB3 MET 332 2HB MET 332 23.784 -7.381 -0.238 966 HG2 MET 332 1HG MET 332 25.871 -6.003 0.105 967 HG3 MET 332 2HG MET 332 24.876 -4.774 0.887 968 HE1 MET 332 1HE MET 332 23.481 -5.151 3.009 969 HE2 MET 332 2HE MET 332 22.797 -6.747 2.601 970 HE3 MET 332 3HE MET 332 23.672 -6.519 4.126 971 H GLU 333 H GLU 333 23.371 -4.822 -3.834 972 HA GLU 333 HA GLU 333 20.763 -5.854 -4.412 973 HB2 GLU 333 1HB GLU 333 22.787 -4.530 -6.249 974 HB3 GLU 333 2HB GLU 333 21.041 -4.636 -6.486 975 HG2 GLU 333 1HG GLU 333 22.575 -2.965 -4.465 976 HG3 GLU 333 2HG GLU 333 21.640 -2.396 -5.826 977 H ILE 334 H ILE 334 21.820 -8.094 -3.802 978 HA ILE 334 HA ILE 334 23.534 -9.513 -5.545 979 HB ILE 334 HB ILE 334 22.506 -11.547 -4.501 980 HG12 ILE 334 1HG1 ILE 334 20.724 -9.586 -2.973 981 HG13 ILE 334 2HG1 ILE 334 20.181 -10.715 -4.210 982 HG21 ILE 334 1HG2 ILE 334 23.298 -9.377 -2.510 983 HG22 ILE 334 2HG2 ILE 334 23.411 -11.124 -2.276 984 HG23 ILE 334 3HG2 ILE 334 24.407 -10.369 -3.507 985 HD11 ILE 334 1HD1 ILE 334 20.998 -12.616 -2.774 986 HD12 ILE 334 2HD1 ILE 334 21.296 -11.428 -1.481 987 HD13 ILE 334 3HD1 ILE 334 19.659 -11.663 -2.110 988 H ILE 335 H ILE 335 23.198 -10.883 -7.263 989 HA ILE 335 HA ILE 335 20.943 -10.248 -8.946 990 HB ILE 335 HB ILE 335 22.006 -11.619 -10.599 991 HG12 ILE 335 1HG1 ILE 335 24.225 -12.746 -10.158 992 HG13 ILE 335 2HG1 ILE 335 23.865 -12.698 -8.443 993 HG21 ILE 335 1HG2 ILE 335 24.179 -10.512 -10.749 994 HG22 ILE 335 2HG2 ILE 335 23.007 -9.383 -10.051 995 HG23 ILE 335 3HG2 ILE 335 24.201 -10.183 -9.017 996 HD11 ILE 335 1HD1 ILE 335 23.427 -14.877 -9.666 997 HD12 ILE 335 2HD1 ILE 335 22.054 -14.280 -8.731 998 HD13 ILE 335 3HD1 ILE 335 22.090 -14.074 -10.506 999 H HIS 336 H HIS 336 20.986 -12.151 -6.320 1000 HA HIS 336 HA HIS 336 19.203 -14.279 -7.308 1001 HB2 HIS 336 1HB HIS 336 21.399 -14.687 -6.045 1002 HB3 HIS 336 2HB HIS 336 20.596 -14.036 -4.618 1003 HD1 HIS 336 HD1 HIS 336 19.923 -16.085 -3.146 1004 HD2 HIS 336 HD2 HIS 336 19.561 -16.719 -7.289 1005 HE1 HIS 336 HE1 HIS 336 19.033 -18.440 -3.424 1006 H GLU 337 H GLU 337 18.226 -11.413 -6.845 1007 HA GLU 337 HA GLU 337 16.758 -11.140 -4.457 1008 HB2 GLU 337 1HB GLU 337 16.013 -10.320 -7.300 1009 HB3 GLU 337 2HB GLU 337 15.138 -9.803 -5.857 1010 HG2 GLU 337 1HG GLU 337 17.147 -8.606 -5.047 1011 HG3 GLU 337 2HG GLU 337 18.016 -9.110 -6.512 1012 H ASP 338 H ASP 338 15.043 -12.368 -3.649 1013 HA ASP 338 HA ASP 338 13.794 -14.417 -5.409 1014 HB2 ASP 338 1HB ASP 338 14.281 -15.211 -3.192 1015 HB3 ASP 338 2HB ASP 338 13.446 -13.834 -2.459 1016 H ASN 339 H ASN 339 12.666 -11.790 -3.257 1017 HA ASN 339 HA ASN 339 10.020 -11.637 -4.584 1018 HB2 ASN 339 1HB ASN 339 11.333 -10.055 -2.338 1019 HB3 ASN 339 2HB ASN 339 9.753 -9.714 -2.996 1020 HD21 ASN 339 1HD2 ASN 339 10.043 -13.109 -0.643 1021 HD22 ASN 339 2HD2 ASN 339 11.091 -13.002 -2.005 1022 H GLU 340 H GLU 340 9.852 -10.313 -6.424 1023 HA GLU 340 HA GLU 340 12.087 -8.753 -7.266 1024 HB2 GLU 340 1HB GLU 340 9.251 -8.816 -8.337 1025 HB3 GLU 340 2HB GLU 340 10.662 -8.061 -9.108 1026 HG2 GLU 340 1HG GLU 340 11.812 -10.321 -9.038 1027 HG3 GLU 340 2HG GLU 340 10.269 -11.030 -8.569 1028 H TRP 341 H TRP 341 8.788 -7.313 -6.385 1029 HA TRP 341 HA TRP 341 8.298 -5.296 -5.558 1030 HB2 TRP 341 2HB TRP 341 11.129 -4.965 -4.619 1031 HB3 TRP 341 3HB TRP 341 9.698 -4.072 -4.163 1032 HD1 TRP 341 HD1 TRP 341 11.711 -6.918 -3.124 1033 HE1 TRP 341 1HE TRP 341 10.657 -8.115 -1.151 1034 HE3 TRP 341 3HE TRP 341 7.013 -4.891 -3.394 1035 HZ2 TRP 341 2HZ TRP 341 7.895 -8.689 -0.308 1036 HZ3 TRP 341 3HZ TRP 341 5.160 -5.879 -2.085 1037 HH2 TRP 341 HH2 TRP 341 5.577 -7.807 -0.568 1038 H GLY 342 H GLY 342 8.093 -5.075 -8.024 1039 HA2 GLY 342 1HA GLY 342 9.973 -3.233 -9.278 1040 HA3 GLY 342 2HA GLY 342 8.478 -3.864 -9.976 1041 H ILE 343 H ILE 343 9.672 -1.013 -9.595 1042 HA ILE 343 HA ILE 343 7.824 0.320 -7.804 1043 HB ILE 343 HB ILE 343 9.562 1.562 -9.985 1044 HG12 ILE 343 1HG1 ILE 343 10.218 0.935 -7.093 1045 HG13 ILE 343 2HG1 ILE 343 10.986 0.214 -8.516 1046 HG21 ILE 343 1HG2 ILE 343 9.371 3.614 -8.588 1047 HG22 ILE 343 2HG2 ILE 343 7.785 3.065 -9.044 1048 HG23 ILE 343 3HG2 ILE 343 8.376 2.718 -7.407 1049 HD11 ILE 343 1HD1 ILE 343 11.247 3.037 -7.493 1050 HD12 ILE 343 2HD1 ILE 343 12.515 1.819 -7.787 1051 HD13 ILE 343 3HD1 ILE 343 11.701 2.594 -9.151 1052 H GLU 344 H GLU 344 5.906 1.211 -8.184 1053 HA GLU 344 HA GLU 344 5.067 1.694 -10.981 1054 HB2 GLU 344 1HB GLU 344 4.302 -0.608 -9.787 1055 HB3 GLU 344 2HB GLU 344 3.052 0.449 -9.128 1056 HG2 GLU 344 1HG GLU 344 2.199 -0.460 -11.177 1057 HG3 GLU 344 2HG GLU 344 2.590 1.225 -11.514 1058 H LEU 345 H LEU 345 4.477 3.771 -11.185 1059 HA LEU 345 HA LEU 345 3.684 5.353 -8.813 1060 HB2 LEU 345 1HB LEU 345 4.246 6.007 -11.742 1061 HB3 LEU 345 2HB LEU 345 3.333 7.105 -10.712 1062 HG LEU 345 HG LEU 345 5.249 7.108 -9.071 1063 HD11 LEU 345 1HD1 LEU 345 6.441 5.079 -9.753 1064 HD12 LEU 345 2HD1 LEU 345 7.485 6.477 -10.008 1065 HD13 LEU 345 3HD1 LEU 345 6.668 5.724 -11.389 1066 HD21 LEU 345 1HD2 LEU 345 6.497 8.754 -10.335 1067 HD22 LEU 345 2HD2 LEU 345 4.787 8.929 -10.709 1068 HD23 LEU 345 3HD2 LEU 345 5.860 8.131 -11.875 1069 H VAL 346 H VAL 346 1.556 5.406 -8.236 1070 HA VAL 346 HA VAL 346 -0.488 4.915 -10.354 1071 HB VAL 346 HB VAL 346 -0.337 3.857 -7.501 1072 HG11 VAL 346 1HG1 VAL 346 -2.580 3.583 -9.541 1073 HG12 VAL 346 2HG1 VAL 346 -2.462 2.704 -7.995 1074 HG13 VAL 346 3HG1 VAL 346 -2.663 4.455 -7.989 1075 HG21 VAL 346 1HG2 VAL 346 -0.242 2.555 -10.252 1076 HG22 VAL 346 2HG2 VAL 346 1.006 2.501 -8.990 1077 HG23 VAL 346 3HG2 VAL 346 -0.517 1.636 -8.751 1078 H SER 347 H SER 347 -2.360 6.237 -10.278 1079 HA SER 347 HA SER 347 -2.952 7.981 -8.136 1080 HB2 SER 347 1HB SER 347 -2.713 10.105 -9.576 1081 HB3 SER 347 2HB SER 347 -1.319 9.474 -8.736 1082 HG SER 347 HG SER 347 -1.888 9.272 -11.510 1083 H GLU 348 H GLU 348 -5.099 8.928 -8.491 1084 HA GLU 348 HA GLU 348 -6.505 8.967 -10.812 1085 HB2 GLU 348 1HB GLU 348 -6.347 6.272 -10.212 1086 HB3 GLU 348 2HB GLU 348 -7.773 6.736 -9.292 1087 HG2 GLU 348 1HG GLU 348 -8.575 7.910 -11.430 1088 HG3 GLU 348 2HG GLU 348 -7.270 7.031 -12.254 Start of MODEL 3 1 H1 MET 1 H MET 1 -1.000 -11.662 8.306 2 HA MET 1 HA MET 1 0.977 -12.111 9.621 3 HB2 MET 1 1HB MET 1 -0.842 -13.930 9.169 4 HB3 MET 1 2HB MET 1 0.389 -14.682 8.141 5 HG2 MET 1 1HG MET 1 0.502 -15.645 10.359 6 HG3 MET 1 2HG MET 1 1.954 -14.670 10.094 7 HE1 MET 1 1HE MET 1 1.552 -14.049 13.882 8 HE2 MET 1 2HE MET 1 1.222 -15.580 13.049 9 HE3 MET 1 3HE MET 1 2.601 -14.578 12.547 10 H GLY 2 H GLY 2 3.161 -11.820 9.466 11 HA2 GLY 2 1HA GLY 2 5.278 -12.049 8.786 12 HA3 GLY 2 2HA GLY 2 4.771 -13.277 7.618 13 H TRP 3 H TRP 3 6.636 -10.746 7.570 14 HA TRP 3 HA TRP 3 5.513 -9.502 5.142 15 HB2 TRP 3 2HB TRP 3 7.459 -8.473 7.220 16 HB3 TRP 3 3HB TRP 3 7.134 -7.677 5.683 17 HD1 TRP 3 HD1 TRP 3 6.319 -7.108 8.997 18 HE1 TRP 3 1HE TRP 3 4.020 -6.010 9.366 19 HE3 TRP 3 3HE TRP 3 4.160 -8.178 4.454 20 HZ2 TRP 3 2HZ TRP 3 1.482 -5.894 7.948 21 HZ3 TRP 3 3HZ TRP 3 1.815 -7.777 4.073 22 HH2 TRP 3 HH2 TRP 3 0.429 -6.583 5.780 23 H MET 4 H MET 4 6.208 -10.643 3.431 24 HA MET 4 HA MET 4 8.534 -12.218 3.361 25 HB2 MET 4 1HB MET 4 6.477 -11.485 1.569 26 HB3 MET 4 2HB MET 4 7.967 -10.995 0.751 27 HG2 MET 4 1HG MET 4 7.481 -13.193 0.073 28 HG3 MET 4 2HG MET 4 8.845 -13.321 1.184 29 HE1 MET 4 1HE MET 4 8.257 -15.943 1.108 30 HE2 MET 4 2HE MET 4 6.631 -16.590 1.436 31 HE3 MET 4 3HE MET 4 6.900 -15.521 0.043 32 H PHE 5 H PHE 5 8.161 -8.791 2.338 33 HA PHE 5 HA PHE 5 10.820 -8.398 1.458 34 HB2 PHE 5 2HB PHE 5 10.356 -5.996 1.946 35 HB3 PHE 5 3HB PHE 5 9.183 -6.765 0.914 36 HD1 PHE 5 1HD PHE 5 9.757 -5.287 4.268 37 HD2 PHE 5 2HD PHE 5 6.848 -7.103 1.636 38 HE1 PHE 5 1HE PHE 5 7.938 -4.455 5.701 39 HE2 PHE 5 2HE PHE 5 5.029 -6.273 3.085 40 HZ PHE 5 HZ PHE 5 5.555 -4.926 5.121 41 H LYS 6 H LYS 6 9.452 -8.093 4.775 42 HA LYS 6 HA LYS 6 11.913 -7.022 5.877 43 HB2 LYS 6 1HB LYS 6 9.434 -6.807 6.733 44 HB3 LYS 6 2HB LYS 6 9.735 -8.374 7.473 45 HG2 LYS 6 1HG LYS 6 11.640 -7.422 8.737 46 HG3 LYS 6 2HG LYS 6 11.430 -5.875 7.901 47 HD2 LYS 6 1HD LYS 6 9.186 -5.590 8.920 48 HD3 LYS 6 2HD LYS 6 9.345 -7.168 9.687 49 HE2 LYS 6 1HE LYS 6 9.852 -5.646 11.402 50 HE3 LYS 6 2HE LYS 6 11.404 -6.311 10.884 51 HZ1 LYS 6 1HZ LYS 6 11.623 -4.217 9.529 52 HZ2 LYS 6 2HZ LYS 6 11.657 -4.003 11.153 53 HZ3 LYS 6 3HZ LYS 6 10.324 -3.611 10.308 54 H GLU 7 H GLU 7 10.586 -10.264 5.350 55 HA GLU 7 HA GLU 7 12.427 -11.641 7.026 56 HB2 GLU 7 1HB GLU 7 10.316 -12.649 6.186 57 HB3 GLU 7 2HB GLU 7 10.887 -12.496 4.535 58 HG2 GLU 7 1HG GLU 7 11.261 -14.711 4.940 59 HG3 GLU 7 2HG GLU 7 12.861 -14.046 5.220 60 H ASP 8 H ASP 8 12.354 -10.841 3.536 61 HA ASP 8 HA ASP 8 14.912 -11.953 2.845 62 HB2 ASP 8 1HB ASP 8 12.825 -10.169 1.585 63 HB3 ASP 8 2HB ASP 8 14.369 -10.266 0.783 64 H HIS 9 H HIS 9 14.075 -8.444 2.456 65 HA HIS 9 HA HIS 9 16.267 -7.560 4.119 66 HB2 HIS 9 1HB HIS 9 17.383 -6.335 2.175 67 HB3 HIS 9 2HB HIS 9 17.715 -8.048 2.348 68 HD1 HIS 9 HD1 HIS 9 14.595 -6.760 0.523 69 HD2 HIS 9 HD2 HIS 9 18.328 -8.564 -0.151 70 HE1 HIS 9 HE1 HIS 9 14.566 -7.574 -1.897 71 H SER 10 H SER 10 15.536 -5.648 5.000 72 HA SER 10 HA SER 10 13.591 -4.091 3.365 73 HB2 SER 10 1HB SER 10 12.494 -3.516 5.495 74 HB3 SER 10 2HB SER 10 12.327 -5.193 4.990 75 HG SER 10 HG SER 10 13.078 -4.398 7.266 76 H LEU 11 H LEU 11 15.472 -3.487 6.397 77 HA LEU 11 HA LEU 11 15.646 -0.822 6.225 78 HB2 LEU 11 1HB LEU 11 16.660 -2.352 7.986 79 HB3 LEU 11 2HB LEU 11 18.085 -2.458 6.949 80 HG LEU 11 HG LEU 11 18.092 0.172 7.037 81 HD11 LEU 11 1HD1 LEU 11 15.840 0.462 8.035 82 HD12 LEU 11 2HD1 LEU 11 17.093 1.124 9.090 83 HD13 LEU 11 3HD1 LEU 11 16.347 -0.445 9.475 84 HD21 LEU 11 1HD2 LEU 11 18.717 -1.533 9.481 85 HD22 LEU 11 2HD2 LEU 11 19.283 0.132 9.214 86 HD23 LEU 11 3HD2 LEU 11 19.802 -1.134 8.117 87 H GLU 12 H GLU 12 18.213 -2.772 4.648 88 HA GLU 12 HA GLU 12 19.513 -0.574 3.446 89 HB2 GLU 12 1HB GLU 12 20.198 -3.104 3.766 90 HB3 GLU 12 2HB GLU 12 19.419 -3.359 2.213 91 HG2 GLU 12 1HG GLU 12 21.761 -3.060 1.819 92 HG3 GLU 12 2HG GLU 12 20.963 -1.585 1.245 93 H HIS 13 H HIS 13 17.163 -2.834 2.046 94 HA HIS 13 HA HIS 13 16.868 -1.837 -0.504 95 HB2 HIS 13 1HB HIS 13 15.967 -3.974 0.614 96 HB3 HIS 13 2HB HIS 13 14.625 -3.016 1.204 97 HD1 HIS 13 HD1 HIS 13 15.845 -4.822 -1.869 98 HD2 HIS 13 HD2 HIS 13 12.925 -1.982 -0.762 99 HE1 HIS 13 HE1 HIS 13 14.033 -4.954 -3.636 100 H ARG 14 H ARG 14 15.025 -0.922 2.399 101 HA ARG 14 HA ARG 14 13.262 0.992 1.157 102 HB2 ARG 14 1HB ARG 14 14.076 0.288 3.991 103 HB3 ARG 14 2HB ARG 14 13.222 1.790 3.692 104 HG2 ARG 14 1HG ARG 14 11.768 -0.094 4.408 105 HG3 ARG 14 2HG ARG 14 11.249 0.736 2.944 106 HD2 ARG 14 1HD ARG 14 12.917 -1.746 2.689 107 HD3 ARG 14 2HD ARG 14 11.305 -1.904 3.383 108 HE ARG 14 HE ARG 14 11.250 -0.403 0.886 109 HH11 ARG 14 1HH1 ARG 14 11.536 -3.630 2.249 110 HH12 ARG 14 2HH1 ARG 14 10.900 -4.380 0.802 111 HH21 ARG 14 1HH2 ARG 14 10.312 -1.363 -0.840 112 HH22 ARG 14 2HH2 ARG 14 9.719 -3.049 -0.723 113 H CYS 15 H CYS 15 16.489 1.287 2.800 114 HA CYS 15 HA CYS 15 16.485 4.129 2.795 115 HB2 CYS 15 2HB CYS 15 18.758 2.093 2.708 116 HB3 CYS 15 3HB CYS 15 19.006 3.841 2.824 117 HG CYS 15 HG CYS 15 17.270 1.852 4.845 118 H VAL 16 H VAL 16 17.682 1.815 0.294 119 HA VAL 16 HA VAL 16 18.636 3.882 -1.489 120 HB VAL 16 HB VAL 16 17.731 1.043 -2.144 121 HG11 VAL 16 1HG1 VAL 16 19.241 1.260 -4.097 122 HG12 VAL 16 2HG1 VAL 16 17.937 2.455 -4.174 123 HG13 VAL 16 3HG1 VAL 16 19.571 2.951 -3.661 124 HG21 VAL 16 1HG2 VAL 16 20.529 2.079 -1.541 125 HG22 VAL 16 2HG2 VAL 16 19.564 1.073 -0.444 126 HG23 VAL 16 3HG2 VAL 16 20.090 0.419 -1.992 127 H GLU 17 H GLU 17 15.597 2.011 -1.300 128 HA GLU 17 HA GLU 17 14.266 3.065 -3.529 129 HB2 GLU 17 1HB GLU 17 13.610 1.047 -2.314 130 HB3 GLU 17 2HB GLU 17 13.291 1.995 -0.853 131 HG2 GLU 17 1HG GLU 17 11.510 3.201 -2.166 132 HG3 GLU 17 2HG GLU 17 11.700 1.983 -3.435 133 H SER 18 H SER 18 14.011 4.160 -0.070 134 HA SER 18 HA SER 18 12.223 6.260 -0.564 135 HB2 SER 18 1HB SER 18 12.784 5.235 1.650 136 HB3 SER 18 2HB SER 18 14.330 6.092 1.634 137 HG SER 18 HG SER 18 12.588 7.114 2.775 138 H ALA 19 H ALA 19 15.879 6.352 -0.358 139 HA ALA 19 HA ALA 19 16.115 9.103 -0.783 140 HB1 ALA 19 1HB ALA 19 18.017 7.717 -0.201 141 HB2 ALA 19 2HB ALA 19 17.926 6.852 -1.752 142 HB3 ALA 19 3HB ALA 19 18.366 8.572 -1.713 143 H LYS 20 H LYS 20 15.901 6.549 -3.303 144 HA LYS 20 HA LYS 20 16.062 8.444 -5.486 145 HB2 LYS 20 1HB LYS 20 14.976 5.585 -5.477 146 HB3 LYS 20 2HB LYS 20 15.273 6.593 -6.905 147 HG2 LYS 20 1HG LYS 20 17.701 6.776 -5.599 148 HG3 LYS 20 2HG LYS 20 17.211 5.143 -5.176 149 HD2 LYS 20 1HD LYS 20 17.415 6.235 -8.017 150 HD3 LYS 20 2HD LYS 20 18.599 5.187 -7.212 151 HE2 LYS 20 1HE LYS 20 16.837 3.482 -6.852 152 HE3 LYS 20 2HE LYS 20 15.672 4.498 -7.719 153 HZ1 LYS 20 1HZ LYS 20 18.011 3.091 -8.764 154 HZ2 LYS 20 2HZ LYS 20 17.282 4.282 -9.657 155 HZ3 LYS 20 3HZ LYS 20 16.441 2.944 -9.189 156 H ILE 21 H ILE 21 13.258 6.953 -3.773 157 HA ILE 21 HA ILE 21 11.330 8.041 -5.613 158 HB ILE 21 HB ILE 21 11.144 7.042 -2.748 159 HG12 ILE 21 1HG1 ILE 21 10.102 5.936 -5.414 160 HG13 ILE 21 2HG1 ILE 21 11.592 5.413 -4.653 161 HG21 ILE 21 1HG2 ILE 21 8.836 7.949 -4.548 162 HG22 ILE 21 2HG2 ILE 21 8.697 7.155 -2.954 163 HG23 ILE 21 3HG2 ILE 21 9.369 8.751 -3.065 164 HD11 ILE 21 1HD1 ILE 21 8.779 5.050 -3.607 165 HD12 ILE 21 2HD1 ILE 21 9.955 3.798 -4.040 166 HD13 ILE 21 3HD1 ILE 21 10.195 4.817 -2.590 167 H ARG 22 H ARG 22 12.789 9.326 -2.555 168 HA ARG 22 HA ARG 22 11.140 11.652 -2.512 169 HB2 ARG 22 1HB ARG 22 13.963 11.155 -1.477 170 HB3 ARG 22 2HB ARG 22 13.049 12.626 -1.126 171 HG2 ARG 22 1HG ARG 22 12.028 9.848 -0.401 172 HG3 ARG 22 2HG ARG 22 13.033 10.799 0.681 173 HD2 ARG 22 1HD ARG 22 10.443 11.884 -0.468 174 HD3 ARG 22 2HD ARG 22 10.461 10.854 0.961 175 HE ARG 22 HE ARG 22 11.393 13.636 0.704 176 HH11 ARG 22 1HH1 ARG 22 11.350 10.755 2.838 177 HH12 ARG 22 2HH1 ARG 22 11.581 11.709 4.261 178 HH21 ARG 22 1HH2 ARG 22 11.535 14.815 2.571 179 HH22 ARG 22 2HH2 ARG 22 11.470 14.084 4.143 180 H ALA 23 H ALA 23 14.299 10.996 -4.125 181 HA ALA 23 HA ALA 23 14.556 13.663 -5.108 182 HB1 ALA 23 1HB ALA 23 15.674 11.025 -6.142 183 HB2 ALA 23 2HB ALA 23 16.111 12.632 -6.767 184 HB3 ALA 23 3HB ALA 23 16.467 12.226 -5.078 185 H LYS 24 H LYS 24 13.153 10.731 -6.679 186 HA LYS 24 HA LYS 24 12.511 12.233 -9.098 187 HB2 LYS 24 1HB LYS 24 11.646 9.462 -8.196 188 HB3 LYS 24 2HB LYS 24 11.255 10.207 -9.751 189 HG2 LYS 24 1HG LYS 24 13.821 10.501 -10.063 190 HG3 LYS 24 2HG LYS 24 13.985 9.329 -8.738 191 HD2 LYS 24 1HD LYS 24 12.480 7.760 -10.053 192 HD3 LYS 24 2HD LYS 24 12.469 8.963 -11.351 193 HE2 LYS 24 1HE LYS 24 15.050 8.768 -11.323 194 HE3 LYS 24 2HE LYS 24 14.808 7.294 -10.369 195 HZ1 LYS 24 1HZ LYS 24 13.363 6.520 -12.229 196 HZ2 LYS 24 2HZ LYS 24 14.934 6.771 -12.711 197 HZ3 LYS 24 3HZ LYS 24 13.773 7.887 -13.060 198 H TYR 25 H TYR 25 10.455 10.976 -6.398 199 HA TYR 25 HA TYR 25 8.323 12.849 -7.257 200 HB2 TYR 25 2HB TYR 25 7.808 10.037 -6.287 201 HB3 TYR 25 3HB TYR 25 6.692 11.176 -7.024 202 HD1 TYR 25 1HD TYR 25 8.993 8.451 -7.542 203 HD2 TYR 25 2HD TYR 25 7.075 11.756 -9.546 204 HE1 TYR 25 1HE TYR 25 9.485 7.402 -9.742 205 HE2 TYR 25 2HE TYR 25 7.522 10.701 -11.728 206 HH TYR 25 HH TYR 25 8.014 8.434 -12.666 207 HA PRO 26 HA PRO 26 9.284 13.261 -2.715 208 HB2 PRO 26 2HB PRO 26 9.071 15.981 -2.514 209 HB3 PRO 26 3HB PRO 26 10.578 15.152 -3.002 210 HG2 PRO 26 2HG PRO 26 8.474 16.430 -4.751 211 HG3 PRO 26 3HG PRO 26 10.251 16.585 -4.885 212 HD2 PRO 26 2HD PRO 26 8.780 14.845 -6.427 213 HD3 PRO 26 3HD PRO 26 10.445 14.452 -5.896 214 H ASP 27 H ASP 27 6.724 14.321 -4.926 215 HA ASP 27 HA ASP 27 4.784 14.841 -2.825 216 HB2 ASP 27 1HB ASP 27 3.395 15.541 -4.612 217 HB3 ASP 27 2HB ASP 27 5.009 16.077 -5.069 218 H ARG 28 H ARG 28 6.043 11.983 -3.722 219 HA ARG 28 HA ARG 28 3.390 10.632 -3.531 220 HB2 ARG 28 1HB ARG 28 5.743 9.752 -5.244 221 HB3 ARG 28 2HB ARG 28 4.345 8.743 -4.847 222 HG2 ARG 28 1HG ARG 28 2.838 10.425 -5.837 223 HG3 ARG 28 2HG ARG 28 4.231 11.370 -6.360 224 HD2 ARG 28 1HD ARG 28 4.801 9.828 -8.023 225 HD3 ARG 28 2HD ARG 28 4.048 8.480 -7.160 226 HE ARG 28 HE ARG 28 2.230 8.761 -8.414 227 HH11 ARG 28 1HH1 ARG 28 3.509 12.116 -7.984 228 HH12 ARG 28 2HH1 ARG 28 2.238 12.800 -8.897 229 HH21 ARG 28 1HH2 ARG 28 0.579 9.775 -9.738 230 HH22 ARG 28 2HH2 ARG 28 0.660 11.464 -9.967 231 H VAL 29 H VAL 29 3.201 8.965 -2.125 232 HA VAL 29 HA VAL 29 5.520 8.537 -0.351 233 HB VAL 29 HB VAL 29 3.869 8.119 1.359 234 HG11 VAL 29 1HG1 VAL 29 3.110 10.456 1.575 235 HG12 VAL 29 2HG1 VAL 29 4.792 10.362 1.023 236 HG13 VAL 29 3HG1 VAL 29 3.494 10.767 -0.115 237 HG21 VAL 29 1HG2 VAL 29 1.750 9.051 -0.667 238 HG22 VAL 29 2HG2 VAL 29 1.910 7.388 -0.054 239 HG23 VAL 29 3HG2 VAL 29 1.499 8.701 1.046 240 HA PRO 30 HA PRO 30 5.605 4.412 -2.026 241 HB2 PRO 30 2HB PRO 30 7.505 3.271 -0.484 242 HB3 PRO 30 3HB PRO 30 7.862 4.654 -1.560 243 HG2 PRO 30 2HG PRO 30 7.383 4.687 1.409 244 HG3 PRO 30 3HG PRO 30 8.623 5.567 0.478 245 HD2 PRO 30 2HD PRO 30 6.143 6.602 1.317 246 HD3 PRO 30 3HD PRO 30 7.140 7.254 -0.017 247 H VAL 31 H VAL 31 3.801 3.174 -1.821 248 HA VAL 31 HA VAL 31 3.190 1.986 0.815 249 HB VAL 31 HB VAL 31 1.386 2.451 -1.609 250 HG11 VAL 31 1HG1 VAL 31 -0.379 2.058 0.259 251 HG12 VAL 31 2HG1 VAL 31 0.535 0.625 -0.248 252 HG13 VAL 31 3HG1 VAL 31 0.941 1.467 1.267 253 HG21 VAL 31 1HG2 VAL 31 0.328 4.234 -0.211 254 HG22 VAL 31 2HG2 VAL 31 1.632 4.050 0.983 255 HG23 VAL 31 3HG2 VAL 31 1.994 4.631 -0.647 256 H ILE 32 H ILE 32 3.129 -0.130 1.047 257 HA ILE 32 HA ILE 32 3.550 -1.907 -1.316 258 HB ILE 32 HB ILE 32 4.521 -2.238 1.547 259 HG12 ILE 32 1HG1 ILE 32 5.791 -0.439 0.517 260 HG13 ILE 32 2HG1 ILE 32 6.785 -1.846 0.698 261 HG21 ILE 32 1HG2 ILE 32 4.039 -4.391 0.399 262 HG22 ILE 32 2HG2 ILE 32 5.068 -3.910 -0.942 263 HG23 ILE 32 3HG2 ILE 32 5.771 -4.173 0.668 264 HD11 ILE 32 1HD1 ILE 32 7.280 -0.812 -1.407 265 HD12 ILE 32 2HD1 ILE 32 6.514 -2.373 -1.727 266 HD13 ILE 32 3HD1 ILE 32 5.582 -0.867 -1.894 267 H VAL 33 H VAL 33 1.690 -2.961 -1.724 268 HA VAL 33 HA VAL 33 -0.248 -3.391 0.461 269 HB VAL 33 HB VAL 33 -1.098 -1.952 -1.191 270 HG11 VAL 33 1HG1 VAL 33 -0.356 -3.975 -3.339 271 HG12 VAL 33 2HG1 VAL 33 -1.365 -2.537 -3.583 272 HG13 VAL 33 3HG1 VAL 33 0.330 -2.350 -3.125 273 HG21 VAL 33 1HG2 VAL 33 -3.095 -3.092 -1.906 274 HG22 VAL 33 2HG2 VAL 33 -2.303 -4.675 -1.777 275 HG23 VAL 33 3HG2 VAL 33 -2.630 -3.719 -0.313 276 H GLU 34 H GLU 34 -0.623 -5.472 1.175 277 HA GLU 34 HA GLU 34 0.274 -7.726 -0.543 278 HB2 GLU 34 1HB GLU 34 0.508 -7.208 2.432 279 HB3 GLU 34 2HB GLU 34 0.739 -8.810 1.733 280 HG2 GLU 34 1HG GLU 34 2.420 -6.689 0.474 281 HG3 GLU 34 2HG GLU 34 2.742 -6.971 2.177 282 H LYS 35 H LYS 35 -1.076 -9.610 -0.398 283 HA LYS 35 HA LYS 35 -3.873 -9.007 0.385 284 HB2 LYS 35 1HB LYS 35 -3.250 -10.330 -1.709 285 HB3 LYS 35 2HB LYS 35 -2.630 -11.595 -0.656 286 HG2 LYS 35 1HG LYS 35 -5.191 -11.351 0.366 287 HG3 LYS 35 2HG LYS 35 -5.459 -10.768 -1.259 288 HD2 LYS 35 1HD LYS 35 -5.940 -13.142 -1.162 289 HD3 LYS 35 2HD LYS 35 -4.514 -12.893 -2.136 290 HE2 LYS 35 1HE LYS 35 -3.378 -13.294 0.351 291 HE3 LYS 35 2HE LYS 35 -4.838 -14.278 0.467 292 HZ1 LYS 35 1HZ LYS 35 -3.069 -15.609 -0.410 293 HZ2 LYS 35 2HZ LYS 35 -2.689 -14.521 -1.548 294 HZ3 LYS 35 3HZ LYS 35 -4.120 -15.332 -1.655 295 H VAL 36 H VAL 36 -4.937 -9.955 2.178 296 HA VAL 36 HA VAL 36 -3.319 -10.934 4.383 297 HB VAL 36 HB VAL 36 -6.338 -10.870 3.859 298 HG11 VAL 36 1HG1 VAL 36 -4.836 -11.513 6.435 299 HG12 VAL 36 2HG1 VAL 36 -6.594 -11.280 6.297 300 HG13 VAL 36 3HG1 VAL 36 -5.819 -12.646 5.488 301 HG21 VAL 36 1HG2 VAL 36 -5.268 -8.618 4.143 302 HG22 VAL 36 2HG2 VAL 36 -6.339 -9.010 5.491 303 HG23 VAL 36 3HG2 VAL 36 -4.583 -9.152 5.687 304 H SER 37 H SER 37 -2.600 -13.109 4.565 305 HA SER 37 HA SER 37 -3.045 -14.854 2.401 306 HB2 SER 37 1HB SER 37 -1.187 -14.861 4.328 307 HB3 SER 37 2HB SER 37 -2.292 -16.062 5.036 308 HG SER 37 HG SER 37 -0.791 -17.026 3.588 309 H GLY 38 H GLY 38 -4.361 -16.644 2.097 310 HA2 GLY 38 1HA GLY 38 -6.006 -18.158 2.584 311 HA3 GLY 38 2HA GLY 38 -6.349 -17.355 4.108 312 H SER 39 H SER 39 -6.379 -14.794 1.760 313 HA SER 39 HA SER 39 -9.291 -14.984 1.819 314 HB2 SER 39 1HB SER 39 -8.164 -12.833 2.262 315 HB3 SER 39 2HB SER 39 -7.494 -12.842 0.627 316 HG SER 39 HG SER 39 -10.287 -13.073 1.157 317 H GLN 40 H GLN 40 -10.587 -15.195 0.086 318 HA GLN 40 HA GLN 40 -9.819 -16.858 -2.124 319 HB2 GLN 40 1HB GLN 40 -12.317 -15.156 -1.587 320 HB3 GLN 40 2HB GLN 40 -12.148 -16.216 -2.964 321 HG2 GLN 40 1HG GLN 40 -13.483 -17.366 -1.492 322 HG3 GLN 40 2HG GLN 40 -11.924 -18.177 -1.418 323 HE21 GLN 40 1HE2 GLN 40 -13.496 -16.470 1.942 324 HE22 GLN 40 2HE2 GLN 40 -14.337 -16.364 0.427 325 H ILE 41 H ILE 41 -9.779 -13.388 -1.735 326 HA ILE 41 HA ILE 41 -10.367 -12.640 -4.398 327 HB ILE 41 HB ILE 41 -10.483 -11.198 -2.383 328 HG12 ILE 41 1HG1 ILE 41 -9.617 -9.104 -3.283 329 HG13 ILE 41 2HG1 ILE 41 -8.721 -9.941 -4.524 330 HG21 ILE 41 1HG2 ILE 41 -8.258 -11.917 -1.388 331 HG22 ILE 41 2HG2 ILE 41 -7.451 -10.931 -2.605 332 HG23 ILE 41 3HG2 ILE 41 -8.514 -10.168 -1.403 333 HD11 ILE 41 1HD1 ILE 41 -11.760 -10.030 -4.202 334 HD12 ILE 41 2HD1 ILE 41 -10.862 -9.008 -5.348 335 HD13 ILE 41 3HD1 ILE 41 -10.830 -10.765 -5.528 336 H VAL 42 H VAL 42 -8.995 -11.650 -5.977 337 HA VAL 42 HA VAL 42 -6.811 -13.288 -6.743 338 HB VAL 42 HB VAL 42 -6.457 -11.691 -8.544 339 HG11 VAL 42 1HG1 VAL 42 -8.448 -13.246 -8.686 340 HG12 VAL 42 2HG1 VAL 42 -9.468 -11.902 -8.128 341 HG13 VAL 42 3HG1 VAL 42 -8.591 -11.772 -9.663 342 HG21 VAL 42 1HG2 VAL 42 -6.608 -9.592 -7.481 343 HG22 VAL 42 2HG2 VAL 42 -7.789 -9.646 -8.791 344 HG23 VAL 42 3HG2 VAL 42 -8.335 -9.811 -7.101 345 H ASP 43 H ASP 43 -4.702 -13.047 -6.415 346 HA ASP 43 HA ASP 43 -3.749 -11.309 -4.267 347 HB2 ASP 43 1HB ASP 43 -1.558 -12.711 -4.894 348 HB3 ASP 43 2HB ASP 43 -2.871 -13.351 -3.913 349 H ILE 44 H ILE 44 -1.406 -10.427 -4.708 350 HA ILE 44 HA ILE 44 -1.343 -9.119 -7.341 351 HB ILE 44 HB ILE 44 -2.481 -7.685 -5.719 352 HG12 ILE 44 1HG1 ILE 44 0.180 -6.446 -6.454 353 HG13 ILE 44 2HG1 ILE 44 -1.044 -6.865 -7.664 354 HG21 ILE 44 1HG2 ILE 44 -1.216 -8.390 -3.651 355 HG22 ILE 44 2HG2 ILE 44 0.160 -7.424 -4.221 356 HG23 ILE 44 3HG2 ILE 44 -1.377 -6.643 -3.844 357 HD11 ILE 44 1HD1 ILE 44 -1.412 -4.900 -5.369 358 HD12 ILE 44 2HD1 ILE 44 -1.258 -4.531 -7.095 359 HD13 ILE 44 3HD1 ILE 44 -2.688 -5.400 -6.510 360 H ASP 45 H ASP 45 0.698 -8.461 -8.063 361 HA ASP 45 HA ASP 45 2.874 -10.262 -7.315 362 HB2 ASP 45 1HB ASP 45 2.164 -8.400 -9.530 363 HB3 ASP 45 2HB ASP 45 3.874 -8.384 -9.119 364 H LYS 46 H LYS 46 5.086 -9.399 -6.879 365 HA LYS 46 HA LYS 46 4.959 -7.461 -4.677 366 HB2 LYS 46 1HB LYS 46 7.139 -9.207 -5.862 367 HB3 LYS 46 2HB LYS 46 7.515 -7.903 -4.743 368 HG2 LYS 46 1HG LYS 46 7.386 -9.718 -3.324 369 HG3 LYS 46 2HG LYS 46 5.806 -8.954 -3.119 370 HD2 LYS 46 1HD LYS 46 4.747 -10.638 -4.517 371 HD3 LYS 46 2HD LYS 46 6.348 -11.233 -5.018 372 HE2 LYS 46 1HE LYS 46 6.809 -11.731 -2.551 373 HE3 LYS 46 2HE LYS 46 5.082 -11.427 -2.262 374 HZ1 LYS 46 1HZ LYS 46 6.178 -13.423 -4.151 375 HZ2 LYS 46 2HZ LYS 46 4.595 -13.186 -3.823 376 HZ3 LYS 46 3HZ LYS 46 5.572 -13.801 -2.647 377 H ARG 47 H ARG 47 4.405 -5.487 -5.608 378 HA ARG 47 HA ARG 47 6.582 -4.186 -7.146 379 HB2 ARG 47 1HB ARG 47 3.623 -3.899 -7.772 380 HB3 ARG 47 2HB ARG 47 4.905 -2.941 -8.495 381 HG2 ARG 47 1HG ARG 47 4.529 -5.946 -8.801 382 HG3 ARG 47 2HG ARG 47 4.121 -4.728 -9.986 383 HD2 ARG 47 1HD ARG 47 6.977 -5.155 -9.104 384 HD3 ARG 47 2HD ARG 47 6.206 -6.108 -10.360 385 HE ARG 47 HE ARG 47 6.015 -3.205 -10.787 386 HH11 ARG 47 1HH1 ARG 47 8.046 -6.161 -11.583 387 HH12 ARG 47 2HH1 ARG 47 8.878 -5.292 -12.766 388 HH21 ARG 47 1HH2 ARG 47 6.975 -2.324 -12.462 389 HH22 ARG 47 2HH2 ARG 47 8.251 -3.109 -13.405 390 H LYS 48 H LYS 48 6.721 -1.948 -6.716 391 HA LYS 48 HA LYS 48 5.722 -1.263 -3.996 392 HB2 LYS 48 1HB LYS 48 8.021 0.037 -5.512 393 HB3 LYS 48 2HB LYS 48 7.613 0.199 -3.805 394 HG2 LYS 48 1HG LYS 48 7.996 -2.328 -3.607 395 HG3 LYS 48 2HG LYS 48 8.659 -2.301 -5.232 396 HD2 LYS 48 1HD LYS 48 9.710 -0.488 -3.109 397 HD3 LYS 48 2HD LYS 48 10.214 -2.173 -3.124 398 HE2 LYS 48 1HE LYS 48 10.592 -0.870 -5.719 399 HE3 LYS 48 2HE LYS 48 11.429 -0.025 -4.405 400 HZ1 LYS 48 1HZ LYS 48 12.915 -1.550 -5.232 401 HZ2 LYS 48 2HZ LYS 48 11.873 -2.772 -5.346 402 HZ3 LYS 48 3HZ LYS 48 12.411 -2.294 -3.860 403 H TYR 49 H TYR 49 3.796 -0.108 -4.088 404 HA TYR 49 HA TYR 49 3.283 1.549 -6.462 405 HB2 TYR 49 2HB TYR 49 1.556 0.498 -4.224 406 HB3 TYR 49 3HB TYR 49 1.005 1.699 -5.379 407 HD1 TYR 49 1HD TYR 49 3.138 -0.295 -7.404 408 HD2 TYR 49 2HD TYR 49 -0.667 -0.487 -5.335 409 HE1 TYR 49 1HE TYR 49 2.351 -1.899 -9.031 410 HE2 TYR 49 2HE TYR 49 -1.457 -2.135 -7.015 411 HH TYR 49 HH TYR 49 0.607 -3.170 -9.782 412 H LEU 50 H LEU 50 3.611 3.533 -6.596 413 HA LEU 50 HA LEU 50 4.146 5.241 -4.235 414 HB2 LEU 50 1HB LEU 50 4.569 5.856 -7.191 415 HB3 LEU 50 2HB LEU 50 5.157 6.746 -5.814 416 HG LEU 50 HG LEU 50 6.168 4.240 -7.105 417 HD11 LEU 50 1HD1 LEU 50 7.496 6.680 -5.878 418 HD12 LEU 50 2HD1 LEU 50 7.112 6.458 -7.591 419 HD13 LEU 50 3HD1 LEU 50 8.324 5.427 -6.814 420 HD21 LEU 50 1HD2 LEU 50 7.689 3.760 -5.171 421 HD22 LEU 50 2HD2 LEU 50 6.022 3.310 -4.895 422 HD23 LEU 50 3HD2 LEU 50 6.645 4.790 -4.165 423 H VAL 51 H VAL 51 2.307 6.323 -3.485 424 HA VAL 51 HA VAL 51 0.316 7.184 -5.494 425 HB VAL 51 HB VAL 51 -1.277 7.043 -3.724 426 HG11 VAL 51 1HG1 VAL 51 -0.659 4.938 -4.975 427 HG12 VAL 51 2HG1 VAL 51 0.396 4.486 -3.617 428 HG13 VAL 51 3HG1 VAL 51 -1.347 4.665 -3.367 429 HG21 VAL 51 1HG2 VAL 51 -0.726 6.048 -1.495 430 HG22 VAL 51 2HG2 VAL 51 0.994 6.271 -1.866 431 HG23 VAL 51 3HG2 VAL 51 -0.087 7.673 -1.731 432 HA PRO 52 HA PRO 52 1.576 11.283 -4.414 433 HB2 PRO 52 2HB PRO 52 -0.599 12.809 -5.147 434 HB3 PRO 52 3HB PRO 52 0.610 12.150 -6.293 435 HG2 PRO 52 2HG PRO 52 -2.123 11.138 -5.635 436 HG3 PRO 52 3HG PRO 52 -1.339 11.176 -7.174 437 HD2 PRO 52 2HD PRO 52 -1.495 8.896 -5.563 438 HD3 PRO 52 3HD PRO 52 -0.155 9.159 -6.723 439 H SER 53 H SER 53 1.553 12.518 -2.586 440 HA SER 53 HA SER 53 0.015 11.747 -0.344 441 HB2 SER 53 1HB SER 53 1.112 13.791 0.661 442 HB3 SER 53 2HB SER 53 2.201 12.588 -0.036 443 HG SER 53 HG SER 53 1.797 15.186 -0.685 444 H ASP 54 H ASP 54 -0.810 13.718 -2.955 445 HA ASP 54 HA ASP 54 -2.484 15.688 -1.662 446 HB2 ASP 54 1HB ASP 54 -1.145 15.697 -3.926 447 HB3 ASP 54 2HB ASP 54 -2.559 14.891 -4.584 448 H ILE 55 H ILE 55 -3.096 12.521 -3.326 449 HA ILE 55 HA ILE 55 -5.953 12.976 -3.333 450 HB ILE 55 HB ILE 55 -6.167 10.663 -4.024 451 HG12 ILE 55 1HG1 ILE 55 -3.242 10.137 -4.258 452 HG13 ILE 55 2HG1 ILE 55 -3.865 10.116 -2.649 453 HG21 ILE 55 1HG2 ILE 55 -5.814 12.319 -5.715 454 HG22 ILE 55 2HG2 ILE 55 -4.065 12.235 -5.537 455 HG23 ILE 55 3HG2 ILE 55 -4.962 10.832 -6.180 456 HD11 ILE 55 1HD1 ILE 55 -3.913 7.884 -3.673 457 HD12 ILE 55 2HD1 ILE 55 -5.563 8.424 -3.318 458 HD13 ILE 55 3HD1 ILE 55 -4.944 8.481 -4.986 459 H THR 56 H THR 56 -7.480 11.253 -2.321 460 HA THR 56 HA THR 56 -6.957 11.181 0.574 461 HB THR 56 HB THR 56 -9.480 10.664 0.523 462 HG1 THR 56 1HG THR 56 -10.457 11.358 -1.512 463 HG21 THR 56 1HG2 THR 56 -10.122 13.002 0.130 464 HG22 THR 56 2HG2 THR 56 -8.562 13.307 -0.667 465 HG23 THR 56 3HG2 THR 56 -8.623 12.910 1.065 466 H VAL 57 H VAL 57 -7.712 9.318 1.775 467 HA VAL 57 HA VAL 57 -6.642 6.834 0.922 468 HB VAL 57 HB VAL 57 -8.635 7.646 3.046 469 HG11 VAL 57 1HG1 VAL 57 -8.985 5.221 2.606 470 HG12 VAL 57 2HG1 VAL 57 -7.246 4.950 2.821 471 HG13 VAL 57 3HG1 VAL 57 -8.248 5.494 4.186 472 HG21 VAL 57 1HG2 VAL 57 -6.830 7.463 4.628 473 HG22 VAL 57 2HG2 VAL 57 -5.752 6.799 3.390 474 HG23 VAL 57 3HG2 VAL 57 -6.273 8.494 3.308 475 H ALA 58 H ALA 58 -9.916 8.241 0.590 476 HA ALA 58 HA ALA 58 -11.289 5.899 -0.252 477 HB1 ALA 58 1HB ALA 58 -12.962 7.422 -1.086 478 HB2 ALA 58 2HB ALA 58 -12.312 8.191 0.363 479 HB3 ALA 58 3HB ALA 58 -11.799 8.756 -1.227 480 H GLN 59 H GLN 59 -9.563 8.446 -2.150 481 HA GLN 59 HA GLN 59 -10.053 7.277 -4.696 482 HB2 GLN 59 1HB GLN 59 -7.873 9.135 -3.666 483 HB3 GLN 59 2HB GLN 59 -7.960 8.618 -5.356 484 HG2 GLN 59 1HG GLN 59 -10.176 9.596 -5.607 485 HG3 GLN 59 2HG GLN 59 -10.233 10.029 -3.898 486 HE21 GLN 59 1HE2 GLN 59 -8.527 13.091 -4.374 487 HE22 GLN 59 2HE2 GLN 59 -9.351 11.994 -3.270 488 H PHE 60 H PHE 60 -7.283 6.900 -2.413 489 HA PHE 60 HA PHE 60 -5.801 5.147 -4.060 490 HB2 PHE 60 2HB PHE 60 -4.839 6.214 -2.084 491 HB3 PHE 60 3HB PHE 60 -5.935 5.325 -1.030 492 HD1 PHE 60 1HD PHE 60 -4.371 4.156 0.330 493 HD2 PHE 60 2HD PHE 60 -4.041 3.880 -3.976 494 HE1 PHE 60 1HE PHE 60 -2.695 2.357 0.557 495 HE2 PHE 60 2HE PHE 60 -2.384 2.086 -3.733 496 HZ PHE 60 HZ PHE 60 -1.689 1.314 -1.480 497 H MET 61 H MET 61 -8.197 4.347 -1.483 498 HA MET 61 HA MET 61 -8.149 1.561 -1.679 499 HB2 MET 61 1HB MET 61 -9.277 2.725 0.116 500 HB3 MET 61 2HB MET 61 -10.343 3.557 -1.015 501 HG2 MET 61 1HG MET 61 -11.352 1.360 -1.654 502 HG3 MET 61 2HG MET 61 -10.395 0.586 -0.397 503 HE1 MET 61 1HE MET 61 -14.465 1.544 0.334 504 HE2 MET 61 2HE MET 61 -13.702 1.884 -1.237 505 HE3 MET 61 3HE MET 61 -13.489 0.287 -0.469 506 H TRP 62 H TRP 62 -10.143 3.942 -3.530 507 HA TRP 62 HA TRP 62 -11.585 2.021 -5.035 508 HB2 TRP 62 2HB TRP 62 -10.991 4.937 -5.408 509 HB3 TRP 62 3HB TRP 62 -11.713 3.990 -6.702 510 HD1 TRP 62 HD1 TRP 62 -12.552 4.029 -2.896 511 HE1 TRP 62 1HE TRP 62 -15.006 4.477 -2.598 512 HE3 TRP 62 3HE TRP 62 -13.861 4.326 -7.842 513 HZ2 TRP 62 2HZ TRP 62 -17.305 5.064 -4.328 514 HZ3 TRP 62 3HZ TRP 62 -16.202 4.796 -8.470 515 HH2 TRP 62 HH2 TRP 62 -17.918 5.233 -6.746 516 H ILE 63 H ILE 63 -8.427 3.692 -5.718 517 HA ILE 63 HA ILE 63 -8.169 2.450 -8.272 518 HB ILE 63 HB ILE 63 -5.943 3.406 -6.446 519 HG12 ILE 63 1HG1 ILE 63 -6.930 4.942 -8.878 520 HG13 ILE 63 2HG1 ILE 63 -7.815 5.116 -7.379 521 HG21 ILE 63 1HG2 ILE 63 -4.795 3.630 -8.781 522 HG22 ILE 63 2HG2 ILE 63 -4.975 1.989 -8.125 523 HG23 ILE 63 3HG2 ILE 63 -6.083 2.583 -9.374 524 HD11 ILE 63 1HD1 ILE 63 -5.732 5.734 -6.183 525 HD12 ILE 63 2HD1 ILE 63 -4.839 5.650 -7.720 526 HD13 ILE 63 3HD1 ILE 63 -6.127 6.842 -7.483 527 H ILE 64 H ILE 64 -7.160 1.291 -4.968 528 HA ILE 64 HA ILE 64 -5.764 -1.000 -5.942 529 HB ILE 64 HB ILE 64 -7.350 -0.708 -3.359 530 HG12 ILE 64 1HG1 ILE 64 -4.322 -0.523 -3.716 531 HG13 ILE 64 2HG1 ILE 64 -5.365 0.888 -3.725 532 HG21 ILE 64 1HG2 ILE 64 -5.996 -2.628 -2.510 533 HG22 ILE 64 2HG2 ILE 64 -6.983 -3.111 -3.873 534 HG23 ILE 64 3HG2 ILE 64 -5.252 -2.803 -4.112 535 HD11 ILE 64 1HD1 ILE 64 -4.572 0.702 -1.495 536 HD12 ILE 64 2HD1 ILE 64 -6.251 0.180 -1.451 537 HD13 ILE 64 3HD1 ILE 64 -4.930 -1.020 -1.406 538 H ARG 65 H ARG 65 -9.278 -0.683 -4.992 539 HA ARG 65 HA ARG 65 -9.830 -3.372 -5.807 540 HB2 ARG 65 1HB ARG 65 -12.191 -2.813 -5.726 541 HB3 ARG 65 2HB ARG 65 -11.309 -2.278 -4.298 542 HG2 ARG 65 1HG ARG 65 -11.256 -0.009 -5.153 543 HG3 ARG 65 2HG ARG 65 -12.139 -0.471 -6.614 544 HD2 ARG 65 1HD ARG 65 -13.182 -0.653 -3.751 545 HD3 ARG 65 2HD ARG 65 -13.531 0.647 -4.911 546 HE ARG 65 HE ARG 65 -14.139 -1.829 -6.141 547 HH11 ARG 65 1HH1 ARG 65 -15.412 0.633 -4.016 548 HH12 ARG 65 2HH1 ARG 65 -17.043 0.457 -4.507 549 HH21 ARG 65 1HH2 ARG 65 -16.226 -2.293 -6.656 550 HH22 ARG 65 2HH2 ARG 65 -17.573 -1.483 -5.917 551 H LYS 66 H LYS 66 -9.774 -0.354 -7.710 552 HA LYS 66 HA LYS 66 -10.966 -1.484 -10.060 553 HB2 LYS 66 1HB LYS 66 -9.010 0.838 -9.736 554 HB3 LYS 66 2HB LYS 66 -9.740 0.391 -11.260 555 HG2 LYS 66 1HG LYS 66 -11.774 0.767 -9.165 556 HG3 LYS 66 2HG LYS 66 -10.762 2.188 -9.345 557 HD2 LYS 66 1HD LYS 66 -12.168 0.836 -11.672 558 HD3 LYS 66 2HD LYS 66 -12.875 2.164 -10.751 559 HE2 LYS 66 1HE LYS 66 -10.180 2.383 -12.148 560 HE3 LYS 66 2HE LYS 66 -11.699 2.766 -12.958 561 HZ1 LYS 66 1HZ LYS 66 -10.645 4.728 -12.064 562 HZ2 LYS 66 2HZ LYS 66 -10.698 4.147 -10.534 563 HZ3 LYS 66 3HZ LYS 66 -12.097 4.484 -11.327 564 H ARG 67 H ARG 67 -7.569 -1.184 -8.953 565 HA ARG 67 HA ARG 67 -6.338 -2.209 -11.247 566 HB2 ARG 67 1HB ARG 67 -5.306 -1.017 -9.157 567 HB3 ARG 67 2HB ARG 67 -5.252 -2.613 -8.424 568 HG2 ARG 67 1HG ARG 67 -3.108 -2.242 -9.372 569 HG3 ARG 67 2HG ARG 67 -3.898 -3.353 -10.500 570 HD2 ARG 67 1HD ARG 67 -4.485 -1.429 -11.968 571 HD3 ARG 67 2HD ARG 67 -3.777 -0.314 -10.787 572 HE ARG 67 HE ARG 67 -2.206 -2.452 -12.156 573 HH11 ARG 67 1HH1 ARG 67 -2.589 1.058 -11.483 574 HH12 ARG 67 2HH1 ARG 67 -1.056 1.456 -12.191 575 HH21 ARG 67 1HH2 ARG 67 -0.349 -1.868 -13.155 576 HH22 ARG 67 2HH2 ARG 67 0.289 -0.264 -13.193 577 H ILE 68 H ILE 68 -7.359 -3.964 -8.257 578 HA ILE 68 HA ILE 68 -6.584 -6.523 -9.461 579 HB ILE 68 HB ILE 68 -7.266 -7.520 -7.440 580 HG12 ILE 68 1HG1 ILE 68 -8.666 -4.928 -6.748 581 HG13 ILE 68 2HG1 ILE 68 -9.406 -6.503 -7.048 582 HG21 ILE 68 1HG2 ILE 68 -5.786 -6.487 -5.879 583 HG22 ILE 68 2HG2 ILE 68 -5.129 -6.215 -7.487 584 HG23 ILE 68 3HG2 ILE 68 -5.966 -4.889 -6.631 585 HD11 ILE 68 1HD1 ILE 68 -7.698 -5.756 -4.651 586 HD12 ILE 68 2HD1 ILE 68 -9.434 -6.121 -4.694 587 HD13 ILE 68 3HD1 ILE 68 -8.261 -7.408 -5.024 588 H GLN 69 H GLN 69 -9.090 -4.500 -10.155 589 HA GLN 69 HA GLN 69 -11.152 -4.625 -10.971 590 HB2 GLN 69 1HB GLN 69 -10.067 -7.208 -12.170 591 HB3 GLN 69 2HB GLN 69 -11.481 -6.315 -12.732 592 HG2 GLN 69 1HG GLN 69 -9.991 -4.298 -13.057 593 HG3 GLN 69 2HG GLN 69 -8.600 -5.334 -12.709 594 HE21 GLN 69 1HE2 GLN 69 -8.715 -5.237 -16.302 595 HE22 GLN 69 2HE2 GLN 69 -8.612 -3.988 -15.047 596 H LEU 70 H LEU 70 -11.556 -4.960 -8.560 597 HA LEU 70 HA LEU 70 -12.479 -7.376 -7.517 598 HB2 LEU 70 1HB LEU 70 -11.798 -5.508 -6.200 599 HB3 LEU 70 2HB LEU 70 -13.070 -4.494 -6.841 600 HG LEU 70 HG LEU 70 -13.194 -5.449 -4.428 601 HD11 LEU 70 1HD1 LEU 70 -14.972 -4.105 -5.442 602 HD12 LEU 70 2HD1 LEU 70 -15.587 -5.367 -4.358 603 HD13 LEU 70 3HD1 LEU 70 -15.708 -5.583 -6.102 604 HD21 LEU 70 1HD2 LEU 70 -14.230 -7.512 -4.059 605 HD22 LEU 70 2HD2 LEU 70 -12.881 -7.839 -5.163 606 HD23 LEU 70 3HD2 LEU 70 -14.555 -7.781 -5.766 607 HA PRO 71 HA PRO 71 -16.380 -7.486 -9.908 608 HB2 PRO 71 2HB PRO 71 -17.218 -9.993 -9.150 609 HB3 PRO 71 3HB PRO 71 -15.905 -9.748 -10.350 610 HG2 PRO 71 2HG PRO 71 -15.620 -10.282 -7.373 611 HG3 PRO 71 3HG PRO 71 -14.787 -11.109 -8.724 612 HD2 PRO 71 2HD PRO 71 -13.630 -9.107 -7.332 613 HD3 PRO 71 3HD PRO 71 -13.390 -9.241 -9.091 614 H SER 72 H SER 72 -18.630 -7.270 -9.281 615 HA SER 72 HA SER 72 -19.039 -6.263 -6.674 616 HB2 SER 72 1HB SER 72 -20.862 -7.029 -8.968 617 HB3 SER 72 2HB SER 72 -21.545 -6.544 -7.399 618 HG SER 72 HG SER 72 -20.287 -4.696 -7.455 619 H GLU 73 H GLU 73 -18.924 -9.570 -7.586 620 HA GLU 73 HA GLU 73 -20.760 -10.549 -5.609 621 HB2 GLU 73 1HB GLU 73 -19.953 -12.736 -6.184 622 HB3 GLU 73 2HB GLU 73 -20.154 -11.770 -7.643 623 HG2 GLU 73 1HG GLU 73 -17.603 -11.269 -7.366 624 HG3 GLU 73 2HG GLU 73 -17.607 -12.625 -6.245 625 H LYS 74 H LYS 74 -17.313 -9.604 -5.578 626 HA LYS 74 HA LYS 74 -17.106 -10.592 -2.805 627 HB2 LYS 74 1HB LYS 74 -14.760 -9.800 -4.552 628 HB3 LYS 74 2HB LYS 74 -14.718 -10.543 -2.967 629 HG2 LYS 74 1HG LYS 74 -15.638 -11.782 -5.563 630 HG3 LYS 74 2HG LYS 74 -14.193 -12.164 -4.667 631 HD2 LYS 74 1HD LYS 74 -17.036 -12.676 -3.674 632 HD3 LYS 74 2HD LYS 74 -16.051 -13.819 -4.504 633 HE2 LYS 74 1HE LYS 74 -15.714 -14.499 -2.373 634 HE3 LYS 74 2HE LYS 74 -14.298 -13.482 -2.584 635 HZ1 LYS 74 1HZ LYS 74 -15.195 -11.940 -1.054 636 HZ2 LYS 74 2HZ LYS 74 -15.833 -13.312 -0.476 637 HZ3 LYS 74 3HZ LYS 74 -16.759 -12.357 -1.376 638 H ALA 75 H ALA 75 -15.744 -9.199 -1.397 639 HA ALA 75 HA ALA 75 -16.519 -6.338 -1.647 640 HB1 ALA 75 1HB ALA 75 -16.457 -6.392 0.849 641 HB2 ALA 75 2HB ALA 75 -17.649 -7.530 0.197 642 HB3 ALA 75 3HB ALA 75 -16.091 -8.128 0.790 643 H ILE 76 H ILE 76 -14.798 -5.047 -0.137 644 HA ILE 76 HA ILE 76 -12.098 -6.131 -0.374 645 HB ILE 76 HB ILE 76 -12.243 -4.873 -2.417 646 HG12 ILE 76 1HG1 ILE 76 -10.640 -2.943 -1.873 647 HG13 ILE 76 2HG1 ILE 76 -10.718 -3.419 -0.207 648 HG21 ILE 76 1HG2 ILE 76 -13.337 -2.514 -0.856 649 HG22 ILE 76 2HG2 ILE 76 -12.849 -2.518 -2.557 650 HG23 ILE 76 3HG2 ILE 76 -14.209 -3.511 -2.046 651 HD11 ILE 76 1HD1 ILE 76 -9.777 -5.154 -2.519 652 HD12 ILE 76 2HD1 ILE 76 -8.762 -4.353 -1.313 653 HD13 ILE 76 3HD1 ILE 76 -9.845 -5.669 -0.813 654 H PHE 77 H PHE 77 -10.896 -5.507 1.339 655 HA PHE 77 HA PHE 77 -11.851 -3.434 3.230 656 HB2 PHE 77 2HB PHE 77 -11.248 -6.319 4.029 657 HB3 PHE 77 3HB PHE 77 -11.563 -4.979 5.130 658 HD1 PHE 77 1HD PHE 77 -13.065 -7.576 3.092 659 HD2 PHE 77 2HD PHE 77 -13.852 -3.838 5.096 660 HE1 PHE 77 1HE PHE 77 -15.502 -8.037 3.009 661 HE2 PHE 77 2HE PHE 77 -16.278 -4.277 4.964 662 HZ PHE 77 HZ PHE 77 -17.119 -6.384 3.920 663 H LEU 78 H LEU 78 -10.082 -2.327 4.059 664 HA LEU 78 HA LEU 78 -7.371 -3.426 3.487 665 HB2 LEU 78 1HB LEU 78 -8.395 -0.561 3.453 666 HB3 LEU 78 2HB LEU 78 -6.690 -0.967 3.459 667 HG LEU 78 HG LEU 78 -8.467 -2.204 1.335 668 HD11 LEU 78 1HD1 LEU 78 -8.981 0.195 1.300 669 HD12 LEU 78 2HD1 LEU 78 -8.111 -0.333 -0.148 670 HD13 LEU 78 3HD1 LEU 78 -7.249 0.574 1.127 671 HD21 LEU 78 1HD2 LEU 78 -6.429 -2.283 0.060 672 HD22 LEU 78 2HD2 LEU 78 -6.055 -2.887 1.685 673 HD23 LEU 78 3HD2 LEU 78 -5.574 -1.250 1.231 674 H PHE 79 H PHE 79 -5.803 -3.071 5.119 675 HA PHE 79 HA PHE 79 -6.706 -2.047 7.757 676 HB2 PHE 79 2HB PHE 79 -5.333 -4.733 7.318 677 HB3 PHE 79 3HB PHE 79 -5.878 -4.051 8.853 678 HD1 PHE 79 1HD PHE 79 -6.876 -5.823 5.775 679 HD2 PHE 79 2HD PHE 79 -8.319 -3.929 9.377 680 HE1 PHE 79 1HE PHE 79 -9.075 -6.943 5.493 681 HE2 PHE 79 2HE PHE 79 -10.508 -5.046 9.078 682 HZ PHE 79 HZ PHE 79 -10.891 -6.561 7.140 683 H VAL 80 H VAL 80 -5.040 -1.106 8.925 684 HA VAL 80 HA VAL 80 -2.266 -1.424 7.981 685 HB VAL 80 HB VAL 80 -3.054 0.547 6.880 686 HG11 VAL 80 1HG1 VAL 80 -4.990 1.118 8.467 687 HG12 VAL 80 2HG1 VAL 80 -3.790 1.844 9.540 688 HG13 VAL 80 3HG1 VAL 80 -4.012 2.489 7.923 689 HG21 VAL 80 1HG2 VAL 80 -0.780 0.479 7.945 690 HG22 VAL 80 2HG2 VAL 80 -1.488 2.094 7.799 691 HG23 VAL 80 3HG2 VAL 80 -1.446 1.322 9.367 692 H ASP 81 H ASP 81 -0.992 -1.886 9.809 693 HA ASP 81 HA ASP 81 -0.605 -2.327 12.086 694 HB2 ASP 81 1HB ASP 81 0.233 -0.114 11.852 695 HB3 ASP 81 2HB ASP 81 -1.370 0.601 11.953 696 H LYS 82 H LYS 82 -3.118 -3.276 11.255 697 HA LYS 82 HA LYS 82 -5.038 -4.187 12.061 698 HB2 LYS 82 1HB LYS 82 -4.151 -3.352 14.852 699 HB3 LYS 82 2HB LYS 82 -5.296 -4.617 14.444 700 HG2 LYS 82 1HG LYS 82 -2.312 -4.708 13.769 701 HG3 LYS 82 2HG LYS 82 -3.096 -5.447 15.156 702 HD2 LYS 82 1HD LYS 82 -4.569 -6.745 13.597 703 HD3 LYS 82 2HD LYS 82 -3.608 -6.134 12.242 704 HE2 LYS 82 1HE LYS 82 -1.595 -7.209 13.080 705 HE3 LYS 82 2HE LYS 82 -2.399 -7.604 14.613 706 HZ1 LYS 82 1HZ LYS 82 -3.909 -9.033 13.392 707 HZ2 LYS 82 2HZ LYS 82 -2.354 -9.525 13.180 708 HZ3 LYS 82 3HZ LYS 82 -3.117 -8.739 11.977 709 H THR 83 H THR 83 -4.940 -1.019 11.595 710 HA THR 83 HA THR 83 -7.515 -0.420 12.907 711 HB THR 83 HB THR 83 -6.918 1.879 12.900 712 HG1 THR 83 1HG THR 83 -5.481 2.543 11.563 713 HG21 THR 83 1HG2 THR 83 -4.568 0.352 14.013 714 HG22 THR 83 2HG2 THR 83 -6.155 0.448 14.820 715 HG23 THR 83 3HG2 THR 83 -5.194 1.915 14.556 716 H VAL 84 H VAL 84 -8.809 1.229 11.702 717 HA VAL 84 HA VAL 84 -8.978 0.442 8.849 718 HB VAL 84 HB VAL 84 -11.133 1.600 10.665 719 HG11 VAL 84 1HG1 VAL 84 -11.469 2.097 8.257 720 HG12 VAL 84 2HG1 VAL 84 -11.253 0.376 7.865 721 HG13 VAL 84 3HG1 VAL 84 -12.647 0.912 8.828 722 HG21 VAL 84 1HG2 VAL 84 -10.663 -0.595 11.494 723 HG22 VAL 84 2HG2 VAL 84 -12.075 -0.755 10.454 724 HG23 VAL 84 3HG2 VAL 84 -10.498 -1.256 9.839 725 HA PRO 85 HA PRO 85 -7.467 4.747 8.601 726 HB2 PRO 85 2HB PRO 85 -6.809 4.784 5.936 727 HB3 PRO 85 3HB PRO 85 -5.795 4.074 7.224 728 HG2 PRO 85 2HG PRO 85 -7.620 2.657 5.295 729 HG3 PRO 85 3HG PRO 85 -6.004 2.131 5.905 730 HD2 PRO 85 2HD PRO 85 -8.421 1.199 6.879 731 HD3 PRO 85 3HD PRO 85 -6.924 1.290 7.844 732 H GLN 86 H GLN 86 -8.548 6.607 8.090 733 HA GLN 86 HA GLN 86 -11.324 6.337 7.293 734 HB2 GLN 86 1HB GLN 86 -10.878 7.807 9.088 735 HB3 GLN 86 2HB GLN 86 -9.718 8.762 8.132 736 HG2 GLN 86 1HG GLN 86 -11.373 9.707 6.773 737 HG3 GLN 86 2HG GLN 86 -12.535 8.417 7.107 738 HE21 GLN 86 1HE2 GLN 86 -14.072 11.122 8.835 739 HE22 GLN 86 2HE2 GLN 86 -13.887 10.408 7.230 740 H SER 87 H SER 87 -12.053 6.394 5.268 741 HA SER 87 HA SER 87 -10.600 6.767 2.990 742 HB2 SER 87 1HB SER 87 -12.718 6.757 1.837 743 HB3 SER 87 2HB SER 87 -12.751 5.646 3.195 744 HG SER 87 HG SER 87 -14.608 6.747 3.367 745 H SER 88 H SER 88 -12.228 9.407 4.787 746 HA SER 88 HA SER 88 -11.808 11.321 2.650 747 HB2 SER 88 1HB SER 88 -13.669 11.349 4.350 748 HB3 SER 88 2HB SER 88 -12.490 11.867 5.567 749 HG SER 88 HG SER 88 -12.982 13.183 3.091 750 H LEU 89 H LEU 89 -9.630 10.120 5.147 751 HA LEU 89 HA LEU 89 -8.189 12.571 5.519 752 HB2 LEU 89 1HB LEU 89 -8.230 10.493 7.034 753 HB3 LEU 89 2HB LEU 89 -7.186 9.714 5.846 754 HG LEU 89 HG LEU 89 -5.458 11.496 6.208 755 HD11 LEU 89 1HD1 LEU 89 -7.355 12.426 8.417 756 HD12 LEU 89 2HD1 LEU 89 -6.852 13.371 7.015 757 HD13 LEU 89 3HD1 LEU 89 -5.668 12.947 8.249 758 HD21 LEU 89 1HD2 LEU 89 -6.281 10.245 8.850 759 HD22 LEU 89 2HD2 LEU 89 -4.640 10.666 8.283 760 HD23 LEU 89 3HD2 LEU 89 -5.535 9.331 7.539 761 H THR 90 H THR 90 -6.110 13.163 4.597 762 HA THR 90 HA THR 90 -5.839 12.290 1.806 763 HB THR 90 HB THR 90 -4.097 14.105 1.700 764 HG1 THR 90 1HG THR 90 -4.078 15.599 3.301 765 HG21 THR 90 1HG2 THR 90 -6.948 14.837 2.488 766 HG22 THR 90 2HG2 THR 90 -6.383 14.390 0.863 767 HG23 THR 90 3HG2 THR 90 -5.810 15.887 1.615 768 H MET 91 H MET 91 -3.926 11.559 0.880 769 HA MET 91 HA MET 91 -2.718 9.475 2.248 770 HB2 MET 91 1HB MET 91 -2.084 11.012 -0.279 771 HB3 MET 91 2HB MET 91 -0.932 9.797 0.252 772 HG2 MET 91 1HG MET 91 -3.855 9.327 -0.453 773 HG3 MET 91 2HG MET 91 -2.445 8.997 -1.455 774 HE1 MET 91 1HE MET 91 -4.426 6.308 1.485 775 HE2 MET 91 2HE MET 91 -3.627 7.601 2.386 776 HE3 MET 91 3HE MET 91 -4.800 8.005 1.112 777 H GLY 92 H GLY 92 -1.453 12.796 1.771 778 HA2 GLY 92 1HA GLY 92 1.101 12.280 2.938 779 HA3 GLY 92 2HA GLY 92 0.364 13.855 2.727 780 H GLN 93 H GLN 93 -2.050 13.321 4.450 781 HA GLN 93 HA GLN 93 -0.836 14.007 6.978 782 HB2 GLN 93 1HB GLN 93 -3.669 13.413 5.999 783 HB3 GLN 93 2HB GLN 93 -3.314 13.449 7.706 784 HG2 GLN 93 1HG GLN 93 -2.099 15.784 6.952 785 HG3 GLN 93 2HG GLN 93 -3.376 15.693 5.746 786 HE21 GLN 93 1HE2 GLN 93 -5.993 16.219 8.260 787 HE22 GLN 93 2HE2 GLN 93 -5.738 15.437 6.724 788 H LEU 94 H LEU 94 -2.499 11.154 5.670 789 HA LEU 94 HA LEU 94 -2.223 9.473 7.929 790 HB2 LEU 94 1HB LEU 94 -3.787 9.093 6.173 791 HB3 LEU 94 2HB LEU 94 -2.552 8.954 4.939 792 HG LEU 94 HG LEU 94 -2.335 7.121 7.300 793 HD11 LEU 94 1HD1 LEU 94 -4.433 6.650 5.158 794 HD12 LEU 94 2HD1 LEU 94 -4.776 7.109 6.839 795 HD13 LEU 94 3HD1 LEU 94 -4.009 5.566 6.504 796 HD21 LEU 94 1HD2 LEU 94 -0.739 7.000 5.359 797 HD22 LEU 94 2HD2 LEU 94 -2.117 6.632 4.297 798 HD23 LEU 94 3HD2 LEU 94 -1.626 5.518 5.583 799 H TYR 95 H TYR 95 -0.086 9.982 5.148 800 HA TYR 95 HA TYR 95 1.896 8.035 5.643 801 HB2 TYR 95 2HB TYR 95 1.862 9.138 3.525 802 HB3 TYR 95 3HB TYR 95 1.841 10.728 4.276 803 HD1 TYR 95 1HD TYR 95 4.130 7.746 4.119 804 HD2 TYR 95 2HD TYR 95 3.718 12.032 4.062 805 HE1 TYR 95 1HE TYR 95 6.535 7.959 3.569 806 HE2 TYR 95 2HE TYR 95 6.101 12.258 3.421 807 HH TYR 95 HH TYR 95 7.858 10.701 2.227 808 H GLU 96 H GLU 96 1.842 11.571 6.545 809 HA GLU 96 HA GLU 96 4.254 11.302 7.996 810 HB2 GLU 96 1HB GLU 96 3.208 13.440 7.136 811 HB3 GLU 96 2HB GLU 96 2.134 13.414 8.550 812 HG2 GLU 96 1HG GLU 96 4.029 13.488 10.057 813 HG3 GLU 96 2HG GLU 96 5.167 13.157 8.746 814 H LYS 97 H LYS 97 0.878 10.998 9.179 815 HA LYS 97 HA LYS 97 1.845 10.643 11.871 816 HB2 LYS 97 1HB LYS 97 -0.287 10.710 12.549 817 HB3 LYS 97 2HB LYS 97 -0.384 11.578 11.043 818 HG2 LYS 97 1HG LYS 97 -2.215 10.288 10.714 819 HG3 LYS 97 2HG LYS 97 -1.001 9.250 10.016 820 HD2 LYS 97 1HD LYS 97 -2.532 7.953 11.443 821 HD3 LYS 97 2HD LYS 97 -0.901 7.919 12.115 822 HE2 LYS 97 1HE LYS 97 -1.642 9.897 13.608 823 HE3 LYS 97 2HE LYS 97 -3.294 9.527 13.098 824 HZ1 LYS 97 1HZ LYS 97 -3.133 7.442 14.172 825 HZ2 LYS 97 2HZ LYS 97 -2.432 8.530 15.199 826 HZ3 LYS 97 3HZ LYS 97 -1.487 7.527 14.316 827 H GLU 98 H GLU 98 1.111 8.291 9.262 828 HA GLU 98 HA GLU 98 1.510 6.098 11.242 829 HB2 GLU 98 1HB GLU 98 0.713 5.895 8.332 830 HB3 GLU 98 2HB GLU 98 0.663 4.652 9.586 831 HG2 GLU 98 1HG GLU 98 -1.124 5.884 10.772 832 HG3 GLU 98 2HG GLU 98 -1.158 7.068 9.477 833 H LYS 99 H LYS 99 3.551 7.891 9.340 834 HA LYS 99 HA LYS 99 5.101 6.264 7.825 835 HB2 LYS 99 1HB LYS 99 5.394 8.841 9.073 836 HB3 LYS 99 2HB LYS 99 6.873 7.957 9.382 837 HG2 LYS 99 1HG LYS 99 6.936 7.393 6.895 838 HG3 LYS 99 2HG LYS 99 5.670 8.589 6.665 839 HD2 LYS 99 1HD LYS 99 8.381 9.110 7.947 840 HD3 LYS 99 2HD LYS 99 8.005 9.453 6.270 841 HE2 LYS 99 1HE LYS 99 6.381 10.666 8.547 842 HE3 LYS 99 2HE LYS 99 7.913 11.378 8.035 843 HZ1 LYS 99 1HZ LYS 99 5.672 10.909 6.171 844 HZ2 LYS 99 2HZ LYS 99 7.091 11.688 5.871 845 HZ3 LYS 99 3HZ LYS 99 6.014 12.370 6.862 846 H ASP 100 H ASP 100 6.225 4.409 8.115 847 HA ASP 100 HA ASP 100 6.715 3.361 10.755 848 HB2 ASP 100 1HB ASP 100 6.297 2.187 8.385 849 HB3 ASP 100 2HB ASP 100 8.062 2.263 8.287 850 H GLU 101 H GLU 101 9.111 2.405 11.146 851 HA GLU 101 HA GLU 101 10.871 4.550 11.652 852 HB2 GLU 101 1HB GLU 101 12.616 2.724 11.899 853 HB3 GLU 101 2HB GLU 101 11.192 2.550 12.912 854 HG2 GLU 101 1HG GLU 101 10.380 0.727 11.772 855 HG3 GLU 101 2HG GLU 101 11.126 1.144 10.240 856 H ASP 102 H ASP 102 10.580 2.442 8.879 857 HA ASP 102 HA ASP 102 12.947 3.528 7.505 858 HB2 ASP 102 1HB ASP 102 11.371 1.077 7.457 859 HB3 ASP 102 2HB ASP 102 11.396 1.745 5.836 860 H GLY 103 H GLY 103 10.110 4.847 8.000 861 HA2 GLY 103 1HA GLY 103 8.854 6.435 7.103 862 HA3 GLY 103 2HA GLY 103 10.062 6.658 5.836 863 H PHE 104 H PHE 104 9.201 3.454 5.571 864 HA PHE 104 HA PHE 104 7.494 3.991 3.295 865 HB2 PHE 104 2HB PHE 104 7.939 1.897 2.600 866 HB3 PHE 104 3HB PHE 104 9.377 2.172 3.576 867 HD1 PHE 104 1HD PHE 104 6.814 -0.121 2.818 868 HD2 PHE 104 2HD PHE 104 9.028 1.406 6.199 869 HE1 PHE 104 1HE PHE 104 6.174 -2.107 4.146 870 HE2 PHE 104 2HE PHE 104 8.366 -0.565 7.516 871 HZ PHE 104 HZ PHE 104 6.924 -2.317 6.510 872 H LEU 105 H LEU 105 5.487 2.427 2.951 873 HA LEU 105 HA LEU 105 3.884 2.404 5.451 874 HB2 LEU 105 1HB LEU 105 3.556 4.264 3.583 875 HB3 LEU 105 2HB LEU 105 2.718 2.966 2.741 876 HG LEU 105 HG LEU 105 1.566 2.749 5.201 877 HD11 LEU 105 1HD1 LEU 105 2.258 5.717 4.905 878 HD12 LEU 105 2HD1 LEU 105 2.733 4.635 6.223 879 HD13 LEU 105 3HD1 LEU 105 1.029 5.087 5.995 880 HD21 LEU 105 1HD2 LEU 105 0.365 2.944 3.094 881 HD22 LEU 105 2HD2 LEU 105 0.697 4.684 3.025 882 HD23 LEU 105 3HD2 LEU 105 -0.327 4.030 4.310 883 H TYR 106 H TYR 106 2.733 0.517 5.813 884 HA TYR 106 HA TYR 106 2.670 -1.547 3.670 885 HB2 TYR 106 2HB TYR 106 3.080 -3.249 5.235 886 HB3 TYR 106 3HB TYR 106 4.311 -2.057 5.489 887 HD1 TYR 106 1HD TYR 106 4.409 -0.766 7.638 888 HD2 TYR 106 2HD TYR 106 1.430 -3.754 6.857 889 HE1 TYR 106 1HE TYR 106 3.826 -0.791 10.036 890 HE2 TYR 106 2HE TYR 106 0.831 -3.821 9.278 891 HH TYR 106 HH TYR 106 2.679 -1.981 11.712 892 H VAL 107 H VAL 107 0.632 -2.248 3.112 893 HA VAL 107 HA VAL 107 -1.572 -1.905 5.045 894 HB VAL 107 HB VAL 107 -1.526 0.035 3.519 895 HG11 VAL 107 1HG1 VAL 107 -2.153 -0.089 1.194 896 HG12 VAL 107 2HG1 VAL 107 -0.675 -1.025 1.452 897 HG13 VAL 107 3HG1 VAL 107 -2.235 -1.860 1.258 898 HG21 VAL 107 1HG2 VAL 107 -3.969 -1.750 3.196 899 HG22 VAL 107 2HG2 VAL 107 -3.622 -0.654 4.554 900 HG23 VAL 107 3HG2 VAL 107 -3.912 0.009 2.943 901 H ALA 108 H ALA 108 -3.037 -3.666 5.012 902 HA ALA 108 HA ALA 108 -2.374 -5.820 3.066 903 HB1 ALA 108 1HB ALA 108 -3.309 -7.377 4.719 904 HB2 ALA 108 2HB ALA 108 -1.896 -6.523 5.331 905 HB3 ALA 108 3HB ALA 108 -3.529 -6.032 5.864 906 H TYR 109 H TYR 109 -4.179 -6.829 1.992 907 HA TYR 109 HA TYR 109 -6.798 -5.502 2.420 908 HB2 TYR 109 2HB TYR 109 -7.225 -5.218 0.169 909 HB3 TYR 109 3HB TYR 109 -5.582 -4.645 0.360 910 HD1 TYR 109 1HD TYR 109 -7.743 -7.071 -1.345 911 HD2 TYR 109 2HD TYR 109 -3.658 -6.053 -0.405 912 HE1 TYR 109 1HE TYR 109 -6.956 -8.512 -3.202 913 HE2 TYR 109 2HE TYR 109 -2.875 -7.498 -2.248 914 HH TYR 109 HH TYR 109 -5.090 -9.385 -4.342 915 H SER 110 H SER 110 -8.672 -6.764 1.910 916 HA SER 110 HA SER 110 -8.257 -9.637 1.382 917 HB2 SER 110 1HB SER 110 -8.074 -9.281 3.875 918 HB3 SER 110 2HB SER 110 -9.731 -8.631 3.860 919 HG SER 110 HG SER 110 -9.512 -10.949 4.317 920 H GLY 111 H GLY 111 -10.308 -10.718 1.069 921 HA2 GLY 111 1HA GLY 111 -12.378 -8.972 -0.163 922 HA3 GLY 111 2HA GLY 111 -11.932 -10.580 -0.734 923 H GLU 112 H GLU 112 -12.194 -10.221 2.786 924 HA GLU 112 HA GLU 112 -14.953 -11.133 2.851 925 HB2 GLU 112 1HB GLU 112 -14.398 -13.012 4.282 926 HB3 GLU 112 2HB GLU 112 -13.493 -13.168 2.777 927 HG2 GLU 112 1HG GLU 112 -11.569 -11.962 4.090 928 HG3 GLU 112 2HG GLU 112 -12.516 -12.290 5.538 929 H ASN 113 H ASN 113 -15.862 -10.750 4.794 930 HA ASN 113 HA ASN 113 -14.677 -8.592 6.447 931 HB2 ASN 113 1HB ASN 113 -16.832 -8.079 7.124 932 HB3 ASN 113 2HB ASN 113 -17.127 -8.641 5.482 933 HD21 ASN 113 1HD2 ASN 113 -19.224 -10.357 8.371 934 HD22 ASN 113 2HD2 ASN 113 -18.748 -8.681 8.227 935 H THR 114 H THR 114 -15.059 -12.041 6.617 936 HA THR 114 HA THR 114 -14.478 -12.032 9.509 937 HB THR 114 HB THR 114 -15.831 -14.280 9.378 938 HG1 THR 114 1HG THR 114 -17.140 -12.684 7.395 939 HG21 THR 114 1HG2 THR 114 -17.870 -13.069 10.105 940 HG22 THR 114 2HG2 THR 114 -17.145 -11.535 9.570 941 HG23 THR 114 3HG2 THR 114 -16.407 -12.473 10.887 942 H PHE 115 H PHE 115 -12.546 -12.571 9.753 943 HA PHE 115 HA PHE 115 -11.124 -14.504 8.041 944 HB2 PHE 115 2HB PHE 115 -9.153 -13.535 9.283 945 HB3 PHE 115 3HB PHE 115 -10.062 -12.389 8.322 946 HD1 PHE 115 1HD PHE 115 -9.389 -13.488 11.841 947 HD2 PHE 115 2HD PHE 115 -11.293 -10.561 9.294 948 HE1 PHE 115 1HE PHE 115 -9.743 -11.988 13.796 949 HE2 PHE 115 2HE PHE 115 -11.650 -9.108 11.248 950 HZ PHE 115 HZ PHE 115 -10.844 -9.787 13.504 951 H GLY 116 H GLY 116 -13.172 -14.917 10.573 952 HA2 GLY 116 1HA GLY 116 -12.205 -17.362 11.456 953 HA3 GLY 116 2HA GLY 116 -11.819 -16.111 12.665 954 H1 GLY 330 H GLY 330 28.046 -7.221 7.097 955 HA2 GLY 330 1HA GLY 330 27.345 -8.433 5.113 956 HA3 GLY 330 2HA GLY 330 27.032 -9.406 6.574 957 H ALA 331 H ALA 331 25.644 -8.851 3.736 958 HA ALA 331 HA ALA 331 22.926 -9.061 4.753 959 HB1 ALA 331 1HB ALA 331 22.124 -7.227 3.256 960 HB2 ALA 331 2HB ALA 331 23.209 -6.617 4.520 961 HB3 ALA 331 3HB ALA 331 23.801 -6.811 2.875 962 H MET 332 H MET 332 21.475 -9.276 2.710 963 HA MET 332 HA MET 332 22.770 -11.098 0.754 964 HB2 MET 332 1HB MET 332 20.016 -11.195 2.002 965 HB3 MET 332 2HB MET 332 20.609 -12.304 0.760 966 HG2 MET 332 1HG MET 332 21.657 -11.985 3.596 967 HG3 MET 332 2HG MET 332 20.685 -13.301 2.971 968 HE1 MET 332 1HE MET 332 23.081 -15.443 0.883 969 HE2 MET 332 2HE MET 332 21.454 -15.222 1.559 970 HE3 MET 332 3HE MET 332 22.010 -14.191 0.220 971 H GLU 333 H GLU 333 22.670 -8.274 0.334 972 HA GLU 333 HA GLU 333 20.389 -7.688 -1.418 973 HB2 GLU 333 1HB GLU 333 21.423 -5.926 0.021 974 HB3 GLU 333 2HB GLU 333 22.891 -6.011 -0.959 975 HG2 GLU 333 1HG GLU 333 21.663 -5.299 -2.955 976 HG3 GLU 333 2HG GLU 333 20.137 -5.392 -2.083 977 H ILE 334 H ILE 334 21.188 -9.897 -2.392 978 HA ILE 334 HA ILE 334 23.460 -9.954 -4.158 979 HB ILE 334 HB ILE 334 22.299 -11.976 -5.057 980 HG12 ILE 334 1HG1 ILE 334 20.134 -11.486 -2.981 981 HG13 ILE 334 2HG1 ILE 334 19.948 -11.186 -4.705 982 HG21 ILE 334 1HG2 ILE 334 22.668 -13.338 -3.077 983 HG22 ILE 334 2HG2 ILE 334 23.850 -12.030 -3.089 984 HG23 ILE 334 3HG2 ILE 334 22.437 -11.940 -2.015 985 HD11 ILE 334 1HD1 ILE 334 20.402 -13.585 -5.177 986 HD12 ILE 334 2HD1 ILE 334 20.487 -13.893 -3.424 987 HD13 ILE 334 3HD1 ILE 334 18.980 -13.329 -4.157 988 H ILE 335 H ILE 335 23.360 -10.052 -6.556 989 HA ILE 335 HA ILE 335 21.951 -7.812 -7.623 990 HB ILE 335 HB ILE 335 23.324 -10.157 -9.035 991 HG12 ILE 335 1HG1 ILE 335 25.032 -8.141 -9.436 992 HG13 ILE 335 2HG1 ILE 335 24.368 -7.526 -7.935 993 HG21 ILE 335 1HG2 ILE 335 23.434 -8.676 -10.975 994 HG22 ILE 335 2HG2 ILE 335 21.752 -8.940 -10.515 995 HG23 ILE 335 3HG2 ILE 335 22.546 -7.409 -10.095 996 HD11 ILE 335 1HD1 ILE 335 25.616 -10.292 -8.323 997 HD12 ILE 335 2HD1 ILE 335 26.487 -8.869 -7.736 998 HD13 ILE 335 3HD1 ILE 335 25.162 -9.535 -6.772 999 H HIS 336 H HIS 336 21.584 -11.332 -7.947 1000 HA HIS 336 HA HIS 336 19.092 -11.303 -9.361 1001 HB2 HIS 336 1HB HIS 336 20.333 -13.643 -7.867 1002 HB3 HIS 336 2HB HIS 336 19.289 -13.681 -9.283 1003 HD1 HIS 336 HD1 HIS 336 22.743 -14.240 -8.477 1004 HD2 HIS 336 HD2 HIS 336 20.670 -12.080 -11.434 1005 HE1 HIS 336 HE1 HIS 336 24.401 -13.881 -10.386 1006 H GLU 337 H GLU 337 18.429 -9.700 -7.368 1007 HA GLU 337 HA GLU 337 17.602 -10.744 -4.895 1008 HB2 GLU 337 1HB GLU 337 16.269 -8.796 -4.605 1009 HB3 GLU 337 2HB GLU 337 17.732 -8.321 -5.467 1010 HG2 GLU 337 1HG GLU 337 16.385 -8.434 -7.616 1011 HG3 GLU 337 2HG GLU 337 14.939 -8.694 -6.633 1012 H ASP 338 H ASP 338 15.984 -11.993 -4.271 1013 HA ASP 338 HA ASP 338 14.678 -13.720 -6.048 1014 HB2 ASP 338 1HB ASP 338 15.245 -14.278 -3.739 1015 HB3 ASP 338 2HB ASP 338 14.053 -13.124 -3.137 1016 H ASN 339 H ASN 339 12.873 -11.494 -3.861 1017 HA ASN 339 HA ASN 339 10.565 -11.617 -5.655 1018 HB2 ASN 339 1HB ASN 339 11.111 -10.131 -3.070 1019 HB3 ASN 339 2HB ASN 339 9.641 -9.901 -4.006 1020 HD21 ASN 339 1HD2 ASN 339 9.930 -13.214 -1.668 1021 HD22 ASN 339 2HD2 ASN 339 11.082 -11.944 -1.521 1022 H GLU 340 H GLU 340 9.986 -10.173 -7.100 1023 HA GLU 340 HA GLU 340 11.624 -8.509 -8.509 1024 HB2 GLU 340 1HB GLU 340 8.726 -9.079 -8.217 1025 HB3 GLU 340 2HB GLU 340 9.034 -7.522 -8.927 1026 HG2 GLU 340 1HG GLU 340 10.687 -9.724 -10.097 1027 HG3 GLU 340 2HG GLU 340 8.931 -9.857 -10.320 1028 H TRP 341 H TRP 341 8.996 -7.188 -6.467 1029 HA TRP 341 HA TRP 341 8.614 -5.173 -5.602 1030 HB2 TRP 341 2HB TRP 341 11.562 -5.336 -4.952 1031 HB3 TRP 341 3HB TRP 341 10.441 -4.174 -4.258 1032 HD1 TRP 341 HD1 TRP 341 12.005 -7.258 -3.385 1033 HE1 TRP 341 1HE TRP 341 10.847 -8.391 -1.433 1034 HE3 TRP 341 3HE TRP 341 7.496 -4.842 -3.699 1035 HZ2 TRP 341 2HZ TRP 341 8.032 -8.613 -0.495 1036 HZ3 TRP 341 3HZ TRP 341 5.576 -5.615 -2.368 1037 HH2 TRP 341 HH2 TRP 341 5.823 -7.489 -0.765 1038 H GLY 342 H GLY 342 8.541 -4.883 -8.286 1039 HA2 GLY 342 1HA GLY 342 10.376 -2.764 -9.104 1040 HA3 GLY 342 2HA GLY 342 9.067 -3.442 -10.050 1041 H ILE 343 H ILE 343 10.028 -0.626 -8.985 1042 HA ILE 343 HA ILE 343 7.856 0.555 -7.548 1043 HB ILE 343 HB ILE 343 10.117 1.703 -9.245 1044 HG12 ILE 343 1HG1 ILE 343 9.721 1.417 -6.224 1045 HG13 ILE 343 2HG1 ILE 343 10.812 0.453 -7.227 1046 HG21 ILE 343 1HG2 ILE 343 8.229 3.173 -7.381 1047 HG22 ILE 343 2HG2 ILE 343 9.641 3.894 -8.201 1048 HG23 ILE 343 3HG2 ILE 343 8.270 3.356 -9.147 1049 HD11 ILE 343 1HD1 ILE 343 12.173 2.436 -7.710 1050 HD12 ILE 343 2HD1 ILE 343 11.126 3.413 -6.633 1051 HD13 ILE 343 3HD1 ILE 343 12.064 2.080 -5.973 1052 H GLU 344 H GLU 344 5.918 1.359 -8.194 1053 HA GLU 344 HA GLU 344 5.367 1.964 -11.042 1054 HB2 GLU 344 1HB GLU 344 4.393 -0.316 -9.542 1055 HB3 GLU 344 2HB GLU 344 3.060 0.802 -9.746 1056 HG2 GLU 344 1HG GLU 344 3.074 -0.743 -11.595 1057 HG3 GLU 344 2HG GLU 344 3.460 0.886 -12.179 1058 H LEU 345 H LEU 345 3.918 3.733 -11.363 1059 HA LEU 345 HA LEU 345 3.281 5.299 -8.927 1060 HB2 LEU 345 1HB LEU 345 3.575 5.943 -11.872 1061 HB3 LEU 345 2HB LEU 345 2.463 6.885 -10.900 1062 HG LEU 345 HG LEU 345 4.233 7.426 -9.285 1063 HD11 LEU 345 1HD1 LEU 345 6.115 6.059 -11.247 1064 HD12 LEU 345 2HD1 LEU 345 5.776 5.546 -9.578 1065 HD13 LEU 345 3HD1 LEU 345 6.602 7.077 -9.874 1066 HD21 LEU 345 1HD2 LEU 345 5.360 9.076 -10.679 1067 HD22 LEU 345 2HD2 LEU 345 3.676 8.928 -11.192 1068 HD23 LEU 345 3HD2 LEU 345 4.950 8.161 -12.153 1069 H VAL 346 H VAL 346 1.284 5.293 -8.107 1070 HA VAL 346 HA VAL 346 -0.978 4.397 -9.811 1071 HB VAL 346 HB VAL 346 -0.463 3.697 -6.912 1072 HG11 VAL 346 1HG1 VAL 346 -2.646 2.772 -8.808 1073 HG12 VAL 346 2HG1 VAL 346 -2.406 2.202 -7.138 1074 HG13 VAL 346 3HG1 VAL 346 -2.865 3.881 -7.429 1075 HG21 VAL 346 1HG2 VAL 346 -0.322 1.326 -7.841 1076 HG22 VAL 346 2HG2 VAL 346 -0.224 2.034 -9.459 1077 HG23 VAL 346 3HG2 VAL 346 1.047 2.356 -8.260 1078 H SER 347 H SER 347 -2.153 6.160 -10.158 1079 HA SER 347 HA SER 347 -3.018 7.827 -7.889 1080 HB2 SER 347 1HB SER 347 -2.597 9.898 -9.463 1081 HB3 SER 347 2HB SER 347 -1.364 9.255 -8.419 1082 HG SER 347 HG SER 347 -1.512 8.841 -11.216 1083 H GLU 348 H GLU 348 -4.885 9.235 -8.450 1084 HA GLU 348 HA GLU 348 -6.771 7.731 -10.097 1085 HB2 GLU 348 1HB GLU 348 -7.455 8.483 -7.846 1086 HB3 GLU 348 2HB GLU 348 -7.034 10.135 -8.251 1087 HG2 GLU 348 1HG GLU 348 -9.469 9.709 -8.258 1088 HG3 GLU 348 2HG GLU 348 -8.859 10.319 -9.782 Start of MODEL 4 1 H1 MET 1 H MET 1 2.704 -16.655 7.833 2 HA MET 1 HA MET 1 5.111 -16.369 8.088 3 HB2 MET 1 1HB MET 1 4.933 -16.087 5.068 4 HB3 MET 1 2HB MET 1 6.257 -15.398 6.010 5 HG2 MET 1 1HG MET 1 5.499 -18.321 6.037 6 HG3 MET 1 2HG MET 1 6.811 -17.606 5.101 7 HE1 MET 1 1HE MET 1 8.129 -19.588 6.195 8 HE2 MET 1 2HE MET 1 8.492 -19.732 7.926 9 HE3 MET 1 3HE MET 1 6.840 -20.037 7.347 10 H GLY 2 H GLY 2 6.247 -14.108 7.899 11 HA2 GLY 2 1HA GLY 2 4.203 -12.117 8.546 12 HA3 GLY 2 2HA GLY 2 5.931 -12.034 8.839 13 H TRP 3 H TRP 3 6.647 -10.231 7.790 14 HA TRP 3 HA TRP 3 5.493 -9.400 5.226 15 HB2 TRP 3 2HB TRP 3 7.614 -8.236 7.062 16 HB3 TRP 3 3HB TRP 3 7.148 -7.526 5.518 17 HD1 TRP 3 HD1 TRP 3 6.543 -6.821 8.927 18 HE1 TRP 3 1HE TRP 3 4.347 -5.687 9.370 19 HE3 TRP 3 3HE TRP 3 4.295 -7.763 4.459 20 HZ2 TRP 3 2HZ TRP 3 1.736 -5.461 8.034 21 HZ3 TRP 3 3HZ TRP 3 1.930 -7.172 4.079 22 HH2 TRP 3 HH2 TRP 3 0.633 -5.996 5.820 23 H MET 4 H MET 4 6.307 -9.998 3.286 24 HA MET 4 HA MET 4 8.469 -11.837 3.001 25 HB2 MET 4 1HB MET 4 7.271 -9.860 0.992 26 HB3 MET 4 2HB MET 4 8.348 -11.194 0.596 27 HG2 MET 4 1HG MET 4 5.665 -11.681 1.907 28 HG3 MET 4 2HG MET 4 5.873 -11.510 0.164 29 HE1 MET 4 1HE MET 4 5.387 -15.348 0.317 30 HE2 MET 4 2HE MET 4 4.538 -14.129 1.298 31 HE3 MET 4 3HE MET 4 4.876 -13.818 -0.425 32 H PHE 5 H PHE 5 8.229 -8.289 2.494 33 HA PHE 5 HA PHE 5 10.921 -7.887 1.796 34 HB2 PHE 5 2HB PHE 5 10.599 -5.544 2.520 35 HB3 PHE 5 3HB PHE 5 9.391 -6.143 1.390 36 HD1 PHE 5 1HD PHE 5 9.995 -5.075 4.926 37 HD2 PHE 5 2HD PHE 5 7.059 -6.144 1.941 38 HE1 PHE 5 1HE PHE 5 8.198 -4.268 6.403 39 HE2 PHE 5 2HE PHE 5 5.256 -5.299 3.442 40 HZ PHE 5 HZ PHE 5 5.825 -4.383 5.675 41 H LYS 6 H LYS 6 9.507 -7.921 5.129 42 HA LYS 6 HA LYS 6 12.040 -7.143 6.275 43 HB2 LYS 6 1HB LYS 6 9.660 -6.929 7.308 44 HB3 LYS 6 2HB LYS 6 9.894 -8.614 7.820 45 HG2 LYS 6 1HG LYS 6 12.008 -7.903 8.999 46 HG3 LYS 6 2HG LYS 6 11.743 -6.259 8.414 47 HD2 LYS 6 1HD LYS 6 10.977 -6.223 10.646 48 HD3 LYS 6 2HD LYS 6 9.530 -6.239 9.637 49 HE2 LYS 6 1HE LYS 6 9.116 -7.769 11.399 50 HE3 LYS 6 2HE LYS 6 9.420 -8.760 9.973 51 HZ1 LYS 6 1HZ LYS 6 11.355 -8.211 12.148 52 HZ2 LYS 6 2HZ LYS 6 11.667 -9.173 10.832 53 HZ3 LYS 6 3HZ LYS 6 10.503 -9.580 11.904 54 H GLU 7 H GLU 7 10.569 -10.304 5.492 55 HA GLU 7 HA GLU 7 12.501 -11.822 6.944 56 HB2 GLU 7 1HB GLU 7 10.237 -12.586 6.023 57 HB3 GLU 7 2HB GLU 7 10.971 -12.609 4.424 58 HG2 GLU 7 1HG GLU 7 11.051 -14.843 5.256 59 HG3 GLU 7 2HG GLU 7 12.701 -14.244 5.331 60 H ASP 8 H ASP 8 12.363 -10.572 3.570 61 HA ASP 8 HA ASP 8 14.965 -11.738 2.958 62 HB2 ASP 8 1HB ASP 8 12.784 -10.384 1.380 63 HB3 ASP 8 2HB ASP 8 14.411 -10.351 0.719 64 H HIS 9 H HIS 9 14.001 -8.254 2.573 65 HA HIS 9 HA HIS 9 16.152 -7.433 4.285 66 HB2 HIS 9 1HB HIS 9 17.385 -6.079 2.569 67 HB3 HIS 9 2HB HIS 9 17.691 -7.805 2.568 68 HD1 HIS 9 HD1 HIS 9 14.530 -7.035 0.760 69 HD2 HIS 9 HD2 HIS 9 18.662 -7.283 0.002 70 HE1 HIS 9 HE1 HIS 9 14.758 -7.252 -1.720 71 H SER 10 H SER 10 15.305 -5.789 5.321 72 HA SER 10 HA SER 10 13.141 -4.237 4.058 73 HB2 SER 10 1HB SER 10 12.923 -3.657 6.643 74 HB3 SER 10 2HB SER 10 12.198 -5.107 5.960 75 HG SER 10 HG SER 10 13.611 -5.093 7.989 76 H LEU 11 H LEU 11 15.637 -3.671 6.516 77 HA LEU 11 HA LEU 11 15.660 -0.919 6.460 78 HB2 LEU 11 1HB LEU 11 18.056 -2.734 6.863 79 HB3 LEU 11 2HB LEU 11 17.958 -1.053 7.370 80 HG LEU 11 HG LEU 11 16.135 -3.278 8.415 81 HD11 LEU 11 1HD1 LEU 11 17.505 -3.271 10.417 82 HD12 LEU 11 2HD1 LEU 11 18.562 -2.019 9.736 83 HD13 LEU 11 3HD1 LEU 11 18.512 -3.645 9.016 84 HD21 LEU 11 1HD2 LEU 11 15.584 -1.739 10.231 85 HD22 LEU 11 2HD2 LEU 11 15.176 -0.987 8.688 86 HD23 LEU 11 3HD2 LEU 11 16.640 -0.486 9.549 87 H GLU 12 H GLU 12 18.027 -2.881 4.632 88 HA GLU 12 HA GLU 12 19.192 -0.711 3.258 89 HB2 GLU 12 1HB GLU 12 19.151 -3.688 2.942 90 HB3 GLU 12 2HB GLU 12 19.558 -2.791 1.492 91 HG2 GLU 12 1HG GLU 12 21.585 -3.357 2.631 92 HG3 GLU 12 2HG GLU 12 21.362 -1.610 2.596 93 H HIS 13 H HIS 13 16.849 -3.050 1.863 94 HA HIS 13 HA HIS 13 16.539 -1.737 -0.602 95 HB2 HIS 13 1HB HIS 13 15.771 -4.021 -0.163 96 HB3 HIS 13 2HB HIS 13 14.515 -3.422 0.916 97 HD1 HIS 13 HD1 HIS 13 14.892 -4.433 -2.641 98 HD2 HIS 13 HD2 HIS 13 12.794 -1.454 -0.509 99 HE1 HIS 13 HE1 HIS 13 13.085 -3.622 -4.133 100 H ARG 14 H ARG 14 14.444 -1.373 2.314 101 HA ARG 14 HA ARG 14 12.803 0.567 1.009 102 HB2 ARG 14 1HB ARG 14 13.157 0.121 3.976 103 HB3 ARG 14 2HB ARG 14 11.905 1.075 3.223 104 HG2 ARG 14 1HG ARG 14 12.094 -1.891 3.449 105 HG3 ARG 14 2HG ARG 14 10.763 -0.816 3.721 106 HD2 ARG 14 1HD ARG 14 9.898 -1.519 1.857 107 HD3 ARG 14 2HD ARG 14 11.150 -0.728 0.943 108 HE ARG 14 HE ARG 14 12.448 -2.978 1.530 109 HH11 ARG 14 1HH1 ARG 14 8.980 -2.986 0.957 110 HH12 ARG 14 2HH1 ARG 14 9.004 -4.296 -0.182 111 HH21 ARG 14 1HH2 ARG 14 12.485 -4.913 0.265 112 HH22 ARG 14 2HH2 ARG 14 11.095 -5.416 -0.581 113 H CYS 15 H CYS 15 15.841 0.971 2.886 114 HA CYS 15 HA CYS 15 15.727 3.786 3.145 115 HB2 CYS 15 2HB CYS 15 17.224 2.341 4.435 116 HB3 CYS 15 3HB CYS 15 18.039 1.805 2.959 117 HG CYS 15 HG CYS 15 19.782 3.221 3.782 118 H VAL 16 H VAL 16 17.480 1.844 0.614 119 HA VAL 16 HA VAL 16 18.348 4.178 -0.784 120 HB VAL 16 HB VAL 16 19.483 2.092 -1.082 121 HG11 VAL 16 1HG1 VAL 16 17.102 0.992 -2.636 122 HG12 VAL 16 2HG1 VAL 16 18.674 0.231 -2.365 123 HG13 VAL 16 3HG1 VAL 16 17.578 0.475 -1.011 124 HG21 VAL 16 1HG2 VAL 16 18.205 2.816 -3.752 125 HG22 VAL 16 2HG2 VAL 16 19.425 3.807 -2.948 126 HG23 VAL 16 3HG2 VAL 16 19.828 2.162 -3.475 127 H GLU 17 H GLU 17 15.507 2.047 -1.238 128 HA GLU 17 HA GLU 17 14.549 3.432 -3.514 129 HB2 GLU 17 1HB GLU 17 13.266 1.632 -1.443 130 HB3 GLU 17 2HB GLU 17 12.273 2.440 -2.634 131 HG2 GLU 17 1HG GLU 17 14.727 0.761 -3.373 132 HG3 GLU 17 2HG GLU 17 13.081 0.132 -3.332 133 H SER 18 H SER 18 13.921 4.141 0.046 134 HA SER 18 HA SER 18 12.008 6.146 -0.607 135 HB2 SER 18 1HB SER 18 12.450 7.106 1.596 136 HB3 SER 18 2HB SER 18 12.207 5.361 1.677 137 HG SER 18 HG SER 18 13.943 5.733 2.903 138 H ALA 19 H ALA 19 15.608 6.335 -0.221 139 HA ALA 19 HA ALA 19 15.710 9.145 -0.621 140 HB1 ALA 19 1HB ALA 19 18.051 8.728 -1.513 141 HB2 ALA 19 2HB ALA 19 17.703 8.113 0.095 142 HB3 ALA 19 3HB ALA 19 17.751 6.996 -1.299 143 H LYS 20 H LYS 20 15.960 6.586 -3.112 144 HA LYS 20 HA LYS 20 16.188 8.415 -5.311 145 HB2 LYS 20 1HB LYS 20 15.197 5.534 -5.248 146 HB3 LYS 20 2HB LYS 20 15.601 6.456 -6.710 147 HG2 LYS 20 1HG LYS 20 17.937 6.766 -5.893 148 HG3 LYS 20 2HG LYS 20 17.556 5.861 -4.432 149 HD2 LYS 20 1HD LYS 20 18.635 4.321 -5.817 150 HD3 LYS 20 2HD LYS 20 16.918 3.890 -5.924 151 HE2 LYS 20 1HE LYS 20 16.775 5.220 -8.053 152 HE3 LYS 20 2HE LYS 20 18.505 5.598 -7.907 153 HZ1 LYS 20 1HZ LYS 20 18.142 3.758 -9.380 154 HZ2 LYS 20 2HZ LYS 20 17.343 2.905 -8.214 155 HZ3 LYS 20 3HZ LYS 20 18.950 3.230 -8.034 156 H ILE 21 H ILE 21 13.332 6.940 -3.744 157 HA ILE 21 HA ILE 21 11.452 7.918 -5.688 158 HB ILE 21 HB ILE 21 11.189 6.925 -2.827 159 HG12 ILE 21 1HG1 ILE 21 10.193 5.724 -5.460 160 HG13 ILE 21 2HG1 ILE 21 11.798 5.387 -4.848 161 HG21 ILE 21 1HG2 ILE 21 8.924 7.755 -4.686 162 HG22 ILE 21 2HG2 ILE 21 8.721 6.869 -3.164 163 HG23 ILE 21 3HG2 ILE 21 9.341 8.506 -3.145 164 HD11 ILE 21 1HD1 ILE 21 10.316 3.583 -4.217 165 HD12 ILE 21 2HD1 ILE 21 10.829 4.445 -2.750 166 HD13 ILE 21 3HD1 ILE 21 9.218 4.708 -3.423 167 H ARG 22 H ARG 22 12.756 9.297 -2.595 168 HA ARG 22 HA ARG 22 11.017 11.592 -2.693 169 HB2 ARG 22 1HB ARG 22 13.769 11.225 -1.403 170 HB3 ARG 22 2HB ARG 22 12.789 12.675 -1.246 171 HG2 ARG 22 1HG ARG 22 12.122 9.936 -0.135 172 HG3 ARG 22 2HG ARG 22 12.559 11.382 0.751 173 HD2 ARG 22 1HD ARG 22 10.004 10.902 -0.834 174 HD3 ARG 22 2HD ARG 22 10.190 10.936 0.922 175 HE ARG 22 HE ARG 22 11.083 13.426 -0.250 176 HH11 ARG 22 1HH1 ARG 22 8.145 11.641 0.557 177 HH12 ARG 22 2HH1 ARG 22 7.171 13.079 0.735 178 HH21 ARG 22 1HH2 ARG 22 9.885 15.249 0.020 179 HH22 ARG 22 2HH2 ARG 22 8.199 15.202 0.474 180 H ALA 23 H ALA 23 14.266 10.954 -4.097 181 HA ALA 23 HA ALA 23 14.615 13.652 -4.974 182 HB1 ALA 23 1HB ALA 23 15.720 11.041 -6.097 183 HB2 ALA 23 2HB ALA 23 16.210 12.669 -6.602 184 HB3 ALA 23 3HB ALA 23 16.493 12.151 -4.933 185 H LYS 24 H LYS 24 13.241 10.775 -6.680 186 HA LYS 24 HA LYS 24 12.598 12.378 -9.056 187 HB2 LYS 24 1HB LYS 24 11.977 9.530 -8.242 188 HB3 LYS 24 2HB LYS 24 11.375 10.275 -9.741 189 HG2 LYS 24 1HG LYS 24 13.640 10.798 -10.474 190 HG3 LYS 24 2HG LYS 24 14.328 10.074 -9.012 191 HD2 LYS 24 1HD LYS 24 12.536 8.520 -10.932 192 HD3 LYS 24 2HD LYS 24 14.282 8.663 -11.134 193 HE2 LYS 24 1HE LYS 24 14.561 7.784 -8.772 194 HE3 LYS 24 2HE LYS 24 12.829 7.402 -8.784 195 HZ1 LYS 24 1HZ LYS 24 13.205 5.970 -10.669 196 HZ2 LYS 24 2HZ LYS 24 14.179 5.519 -9.442 197 HZ3 LYS 24 3HZ LYS 24 14.817 6.378 -10.717 198 H TYR 25 H TYR 25 10.577 10.872 -6.537 199 HA TYR 25 HA TYR 25 8.283 12.554 -7.364 200 HB2 TYR 25 2HB TYR 25 8.124 9.749 -6.243 201 HB3 TYR 25 3HB TYR 25 6.894 10.669 -7.086 202 HD1 TYR 25 1HD TYR 25 9.331 8.105 -7.369 203 HD2 TYR 25 2HD TYR 25 7.553 11.321 -9.628 204 HE1 TYR 25 1HE TYR 25 10.090 7.033 -9.475 205 HE2 TYR 25 2HE TYR 25 8.321 10.263 -11.728 206 HH TYR 25 HH TYR 25 9.523 7.085 -11.976 207 HA PRO 26 HA PRO 26 9.414 13.229 -2.829 208 HB2 PRO 26 2HB PRO 26 9.201 15.977 -2.820 209 HB3 PRO 26 3HB PRO 26 10.698 15.138 -3.284 210 HG2 PRO 26 2HG PRO 26 8.545 16.234 -5.094 211 HG3 PRO 26 3HG PRO 26 10.318 16.432 -5.242 212 HD2 PRO 26 2HD PRO 26 8.921 14.549 -6.655 213 HD3 PRO 26 3HD PRO 26 10.583 14.211 -6.052 214 H ASP 27 H ASP 27 6.923 14.172 -5.069 215 HA ASP 27 HA ASP 27 4.984 14.958 -3.035 216 HB2 ASP 27 1HB ASP 27 5.505 15.923 -5.428 217 HB3 ASP 27 2HB ASP 27 4.615 14.540 -6.007 218 H ARG 28 H ARG 28 6.122 12.005 -3.693 219 HA ARG 28 HA ARG 28 3.485 10.674 -3.414 220 HB2 ARG 28 1HB ARG 28 5.858 9.818 -5.124 221 HB3 ARG 28 2HB ARG 28 4.562 8.718 -4.643 222 HG2 ARG 28 1HG ARG 28 2.899 10.235 -5.650 223 HG3 ARG 28 2HG ARG 28 4.169 11.255 -6.267 224 HD2 ARG 28 1HD ARG 28 4.958 9.530 -7.754 225 HD3 ARG 28 2HD ARG 28 4.053 8.285 -6.888 226 HE ARG 28 HE ARG 28 2.137 8.762 -7.993 227 HH11 ARG 28 1HH1 ARG 28 4.450 11.399 -8.800 228 HH12 ARG 28 2HH1 ARG 28 3.622 11.791 -10.262 229 HH21 ARG 28 1HH2 ARG 28 0.938 9.554 -9.901 230 HH22 ARG 28 2HH2 ARG 28 1.620 10.832 -10.778 231 H VAL 29 H VAL 29 3.549 8.544 -2.376 232 HA VAL 29 HA VAL 29 5.758 8.318 -0.436 233 HB VAL 29 HB VAL 29 4.320 8.007 1.377 234 HG11 VAL 29 1HG1 VAL 29 3.037 10.205 -0.281 235 HG12 VAL 29 2HG1 VAL 29 2.915 9.982 1.453 236 HG13 VAL 29 3HG1 VAL 29 4.487 10.343 0.723 237 HG21 VAL 29 1HG2 VAL 29 1.788 7.920 1.078 238 HG22 VAL 29 2HG2 VAL 29 2.154 7.441 -0.606 239 HG23 VAL 29 3HG2 VAL 29 2.724 6.469 0.741 240 HA PRO 30 HA PRO 30 5.954 4.156 -2.099 241 HB2 PRO 30 2HB PRO 30 7.772 3.061 -0.358 242 HB3 PRO 30 3HB PRO 30 8.216 4.300 -1.576 243 HG2 PRO 30 2HG PRO 30 7.719 4.650 1.365 244 HG3 PRO 30 3HG PRO 30 8.963 5.426 0.346 245 HD2 PRO 30 2HD PRO 30 6.549 6.611 1.088 246 HD3 PRO 30 3HD PRO 30 7.498 7.053 -0.348 247 H VAL 31 H VAL 31 4.178 2.846 -1.855 248 HA VAL 31 HA VAL 31 3.583 1.772 0.869 249 HB VAL 31 HB VAL 31 1.782 2.414 -1.484 250 HG11 VAL 31 1HG1 VAL 31 0.737 0.673 -0.207 251 HG12 VAL 31 2HG1 VAL 31 1.201 1.410 1.343 252 HG13 VAL 31 3HG1 VAL 31 -0.049 2.156 0.335 253 HG21 VAL 31 1HG2 VAL 31 2.230 4.060 1.027 254 HG22 VAL 31 2HG2 VAL 31 2.425 4.537 -0.659 255 HG23 VAL 31 3HG2 VAL 31 0.812 4.240 -0.024 256 H ILE 32 H ILE 32 3.063 -0.423 0.996 257 HA ILE 32 HA ILE 32 3.241 -1.983 -1.546 258 HB ILE 32 HB ILE 32 4.225 -3.058 1.060 259 HG12 ILE 32 1HG1 ILE 32 5.858 -1.329 0.429 260 HG13 ILE 32 2HG1 ILE 32 6.512 -2.963 0.338 261 HG21 ILE 32 1HG2 ILE 32 5.120 -4.870 -0.290 262 HG22 ILE 32 2HG2 ILE 32 3.371 -4.731 -0.406 263 HG23 ILE 32 3HG2 ILE 32 4.364 -4.125 -1.730 264 HD11 ILE 32 1HD1 ILE 32 7.224 -1.518 -1.554 265 HD12 ILE 32 2HD1 ILE 32 6.378 -2.977 -2.075 266 HD13 ILE 32 3HD1 ILE 32 5.530 -1.416 -2.058 267 H VAL 33 H VAL 33 1.517 -3.143 -1.852 268 HA VAL 33 HA VAL 33 -0.613 -3.292 0.183 269 HB VAL 33 HB VAL 33 -0.634 -3.456 -2.864 270 HG11 VAL 33 1HG1 VAL 33 -3.091 -3.095 -2.636 271 HG12 VAL 33 2HG1 VAL 33 -2.522 -4.621 -1.974 272 HG13 VAL 33 3HG1 VAL 33 -2.928 -3.278 -0.870 273 HG21 VAL 33 1HG2 VAL 33 -0.035 -1.167 -2.224 274 HG22 VAL 33 2HG2 VAL 33 -1.663 -1.229 -2.878 275 HG23 VAL 33 3HG2 VAL 33 -1.432 -1.091 -1.127 276 H GLU 34 H GLU 34 -0.837 -5.417 1.122 277 HA GLU 34 HA GLU 34 0.006 -7.710 -0.624 278 HB2 GLU 34 1HB GLU 34 0.408 -7.418 2.370 279 HB3 GLU 34 2HB GLU 34 0.713 -8.883 1.455 280 HG2 GLU 34 1HG GLU 34 2.182 -6.283 0.848 281 HG3 GLU 34 2HG GLU 34 2.725 -7.424 2.059 282 H LYS 35 H LYS 35 -1.313 -9.593 -0.452 283 HA LYS 35 HA LYS 35 -4.021 -8.961 0.544 284 HB2 LYS 35 1HB LYS 35 -4.863 -10.691 -0.784 285 HB3 LYS 35 2HB LYS 35 -3.672 -9.843 -1.738 286 HG2 LYS 35 1HG LYS 35 -3.274 -11.957 -2.354 287 HG3 LYS 35 2HG LYS 35 -2.032 -11.761 -1.120 288 HD2 LYS 35 1HD LYS 35 -3.257 -13.185 0.410 289 HD3 LYS 35 2HD LYS 35 -4.753 -13.027 -0.525 290 HE2 LYS 35 1HE LYS 35 -3.726 -15.236 -0.821 291 HE3 LYS 35 2HE LYS 35 -3.836 -14.340 -2.342 292 HZ1 LYS 35 1HZ LYS 35 -1.673 -15.421 -2.097 293 HZ2 LYS 35 2HZ LYS 35 -1.396 -14.583 -0.703 294 HZ3 LYS 35 3HZ LYS 35 -1.485 -13.807 -2.151 295 H VAL 36 H VAL 36 -5.061 -10.051 2.193 296 HA VAL 36 HA VAL 36 -3.386 -11.292 4.187 297 HB VAL 36 HB VAL 36 -6.413 -11.056 3.870 298 HG11 VAL 36 1HG1 VAL 36 -6.017 -12.965 5.320 299 HG12 VAL 36 2HG1 VAL 36 -4.800 -12.091 6.248 300 HG13 VAL 36 3HG1 VAL 36 -6.508 -11.608 6.330 301 HG21 VAL 36 1HG2 VAL 36 -4.411 -9.584 5.639 302 HG22 VAL 36 2HG2 VAL 36 -5.224 -8.898 4.226 303 HG23 VAL 36 3HG2 VAL 36 -6.178 -9.337 5.646 304 H SER 37 H SER 37 -2.868 -13.422 4.445 305 HA SER 37 HA SER 37 -3.324 -15.318 2.393 306 HB2 SER 37 1HB SER 37 -2.429 -16.899 4.222 307 HB3 SER 37 2HB SER 37 -1.381 -15.572 3.715 308 HG SER 37 HG SER 37 -3.085 -15.518 5.983 309 H GLY 38 H GLY 38 -5.176 -16.432 1.977 310 HA2 GLY 38 1HA GLY 38 -6.812 -17.997 2.758 311 HA3 GLY 38 2HA GLY 38 -7.085 -17.008 4.189 312 H SER 39 H SER 39 -6.819 -14.576 1.972 313 HA SER 39 HA SER 39 -9.745 -14.465 1.605 314 HB2 SER 39 1HB SER 39 -7.429 -12.571 1.161 315 HB3 SER 39 2HB SER 39 -8.878 -12.420 0.144 316 HG SER 39 HG SER 39 -8.942 -12.304 2.984 317 H GLN 40 H GLN 40 -10.768 -15.139 -0.242 318 HA GLN 40 HA GLN 40 -9.419 -16.676 -2.222 319 HB2 GLN 40 1HB GLN 40 -12.219 -15.562 -1.873 320 HB3 GLN 40 2HB GLN 40 -11.748 -16.157 -3.453 321 HG2 GLN 40 1HG GLN 40 -12.875 -17.907 -2.306 322 HG3 GLN 40 2HG GLN 40 -11.197 -18.353 -2.571 323 HE21 GLN 40 1HE2 GLN 40 -12.259 -17.546 1.344 324 HE22 GLN 40 2HE2 GLN 40 -12.774 -16.366 0.179 325 H ILE 41 H ILE 41 -9.839 -13.260 -2.024 326 HA ILE 41 HA ILE 41 -10.027 -12.426 -4.655 327 HB ILE 41 HB ILE 41 -10.206 -11.069 -2.576 328 HG12 ILE 41 1HG1 ILE 41 -9.244 -9.009 -3.322 329 HG13 ILE 41 2HG1 ILE 41 -8.218 -9.810 -4.507 330 HG21 ILE 41 1HG2 ILE 41 -7.162 -10.802 -2.616 331 HG22 ILE 41 2HG2 ILE 41 -8.302 -10.275 -1.353 332 HG23 ILE 41 3HG2 ILE 41 -7.939 -12.004 -1.621 333 HD11 ILE 41 1HD1 ILE 41 -10.280 -8.743 -5.473 334 HD12 ILE 41 2HD1 ILE 41 -10.145 -10.471 -5.834 335 HD13 ILE 41 3HD1 ILE 41 -11.261 -9.921 -4.562 336 H VAL 42 H VAL 42 -8.481 -11.533 -6.144 337 HA VAL 42 HA VAL 42 -6.454 -13.281 -6.907 338 HB VAL 42 HB VAL 42 -5.745 -11.423 -8.428 339 HG11 VAL 42 1HG1 VAL 42 -8.783 -11.706 -8.328 340 HG12 VAL 42 2HG1 VAL 42 -7.793 -11.303 -9.735 341 HG13 VAL 42 3HG1 VAL 42 -7.689 -12.918 -9.025 342 HG21 VAL 42 1HG2 VAL 42 -6.922 -9.345 -8.528 343 HG22 VAL 42 2HG2 VAL 42 -7.891 -9.745 -7.100 344 HG23 VAL 42 3HG2 VAL 42 -6.132 -9.504 -6.960 345 H ASP 43 H ASP 43 -4.200 -13.253 -6.859 346 HA ASP 43 HA ASP 43 -3.032 -12.127 -4.427 347 HB2 ASP 43 1HB ASP 43 -2.479 -14.420 -5.287 348 HB3 ASP 43 2HB ASP 43 -1.690 -13.656 -6.683 349 H ILE 44 H ILE 44 -0.881 -10.923 -4.570 350 HA ILE 44 HA ILE 44 -0.814 -9.087 -6.889 351 HB ILE 44 HB ILE 44 -1.983 -7.992 -5.125 352 HG12 ILE 44 1HG1 ILE 44 0.770 -6.731 -5.101 353 HG13 ILE 44 2HG1 ILE 44 -0.210 -6.795 -6.565 354 HG21 ILE 44 1HG2 ILE 44 -1.225 -9.182 -3.145 355 HG22 ILE 44 2HG2 ILE 44 0.433 -8.525 -3.352 356 HG23 ILE 44 3HG2 ILE 44 -0.893 -7.464 -2.932 357 HD11 ILE 44 1HD1 ILE 44 -2.047 -5.592 -5.435 358 HD12 ILE 44 2HD1 ILE 44 -1.062 -5.478 -3.961 359 HD13 ILE 44 3HD1 ILE 44 -0.536 -4.657 -5.443 360 H ASP 45 H ASP 45 1.034 -8.663 -7.783 361 HA ASP 45 HA ASP 45 3.417 -10.212 -7.256 362 HB2 ASP 45 1HB ASP 45 2.837 -7.747 -8.976 363 HB3 ASP 45 2HB ASP 45 4.380 -8.588 -8.959 364 H LYS 46 H LYS 46 5.462 -9.365 -6.566 365 HA LYS 46 HA LYS 46 5.234 -7.405 -4.408 366 HB2 LYS 46 1HB LYS 46 7.550 -8.981 -5.583 367 HB3 LYS 46 2HB LYS 46 7.811 -7.696 -4.401 368 HG2 LYS 46 1HG LYS 46 7.703 -9.606 -3.064 369 HG3 LYS 46 2HG LYS 46 6.106 -8.909 -2.880 370 HD2 LYS 46 1HD LYS 46 5.181 -10.460 -4.550 371 HD3 LYS 46 2HD LYS 46 6.811 -11.061 -4.893 372 HE2 LYS 46 1HE LYS 46 6.932 -11.999 -2.625 373 HE3 LYS 46 2HE LYS 46 5.297 -11.383 -2.278 374 HZ1 LYS 46 1HZ LYS 46 4.402 -12.839 -3.905 375 HZ2 LYS 46 2HZ LYS 46 5.562 -13.768 -3.124 376 HZ3 LYS 46 3HZ LYS 46 5.875 -13.124 -4.582 377 H ARG 47 H ARG 47 4.705 -5.427 -5.142 378 HA ARG 47 HA ARG 47 6.640 -4.093 -6.965 379 HB2 ARG 47 1HB ARG 47 3.614 -3.917 -7.139 380 HB3 ARG 47 2HB ARG 47 4.740 -2.985 -8.117 381 HG2 ARG 47 1HG ARG 47 4.555 -6.039 -8.162 382 HG3 ARG 47 2HG ARG 47 3.693 -4.996 -9.245 383 HD2 ARG 47 1HD ARG 47 6.690 -4.831 -9.121 384 HD3 ARG 47 2HD ARG 47 5.856 -6.072 -10.067 385 HE ARG 47 HE ARG 47 4.776 -3.449 -10.617 386 HH11 ARG 47 1HH1 ARG 47 7.517 -5.586 -11.565 387 HH12 ARG 47 2HH1 ARG 47 7.512 -4.976 -13.174 388 HH21 ARG 47 1HH2 ARG 47 4.886 -2.686 -12.592 389 HH22 ARG 47 2HH2 ARG 47 6.259 -3.035 -13.661 390 H LYS 48 H LYS 48 6.537 -1.791 -6.760 391 HA LYS 48 HA LYS 48 5.887 -0.885 -4.013 392 HB2 LYS 48 1HB LYS 48 7.952 0.331 -5.859 393 HB3 LYS 48 2HB LYS 48 7.676 0.659 -4.157 394 HG2 LYS 48 1HG LYS 48 8.464 -1.681 -3.622 395 HG3 LYS 48 2HG LYS 48 8.696 -1.973 -5.350 396 HD2 LYS 48 1HD LYS 48 10.850 -1.412 -4.420 397 HD3 LYS 48 2HD LYS 48 10.330 -0.130 -5.487 398 HE2 LYS 48 1HE LYS 48 11.170 1.002 -3.637 399 HE3 LYS 48 2HE LYS 48 9.443 1.098 -3.378 400 HZ1 LYS 48 1HZ LYS 48 9.624 -0.656 -1.756 401 HZ2 LYS 48 2HZ LYS 48 10.745 0.460 -1.408 402 HZ3 LYS 48 3HZ LYS 48 11.210 -0.942 -2.175 403 H TYR 49 H TYR 49 3.927 0.076 -4.081 404 HA TYR 49 HA TYR 49 3.148 1.604 -6.471 405 HB2 TYR 49 2HB TYR 49 1.777 0.846 -3.858 406 HB3 TYR 49 3HB TYR 49 1.126 2.004 -5.023 407 HD1 TYR 49 1HD TYR 49 2.456 -1.562 -5.056 408 HD2 TYR 49 2HD TYR 49 -0.406 1.312 -6.537 409 HE1 TYR 49 1HE TYR 49 1.397 -3.324 -6.433 410 HE2 TYR 49 2HE TYR 49 -1.427 -0.443 -7.958 411 HH TYR 49 HH TYR 49 -0.165 -3.741 -8.177 412 H LEU 50 H LEU 50 3.466 3.702 -6.627 413 HA LEU 50 HA LEU 50 4.297 5.321 -4.263 414 HB2 LEU 50 1HB LEU 50 4.776 5.923 -7.203 415 HB3 LEU 50 2HB LEU 50 5.393 6.804 -5.788 416 HG LEU 50 HG LEU 50 6.237 4.087 -6.863 417 HD11 LEU 50 1HD1 LEU 50 8.463 5.292 -6.901 418 HD12 LEU 50 2HD1 LEU 50 7.627 6.760 -6.373 419 HD13 LEU 50 3HD1 LEU 50 7.236 6.027 -7.938 420 HD21 LEU 50 1HD2 LEU 50 6.181 3.830 -4.426 421 HD22 LEU 50 2HD2 LEU 50 7.080 5.347 -4.223 422 HD23 LEU 50 3HD2 LEU 50 7.831 3.922 -5.010 423 H VAL 51 H VAL 51 2.447 6.303 -3.498 424 HA VAL 51 HA VAL 51 0.503 7.274 -5.554 425 HB VAL 51 HB VAL 51 -1.109 7.185 -3.651 426 HG11 VAL 51 1HG1 VAL 51 -1.051 5.559 -5.539 427 HG12 VAL 51 2HG1 VAL 51 0.128 4.577 -4.702 428 HG13 VAL 51 3HG1 VAL 51 -1.540 4.774 -4.062 429 HG21 VAL 51 1HG2 VAL 51 -0.731 5.535 -1.876 430 HG22 VAL 51 2HG2 VAL 51 0.970 5.348 -2.374 431 HG23 VAL 51 3HG2 VAL 51 0.368 6.894 -1.743 432 HA PRO 52 HA PRO 52 1.635 11.340 -4.354 433 HB2 PRO 52 2HB PRO 52 -0.506 12.839 -5.156 434 HB3 PRO 52 3HB PRO 52 0.661 12.089 -6.308 435 HG2 PRO 52 2HG PRO 52 -2.047 11.119 -5.444 436 HG3 PRO 52 3HG PRO 52 -1.418 11.152 -7.063 437 HD2 PRO 52 2HD PRO 52 -1.381 8.877 -5.504 438 HD3 PRO 52 3HD PRO 52 -0.078 9.214 -6.689 439 H SER 53 H SER 53 1.616 12.455 -2.508 440 HA SER 53 HA SER 53 0.059 11.752 -0.300 441 HB2 SER 53 1HB SER 53 1.099 13.737 0.755 442 HB3 SER 53 2HB SER 53 2.218 12.612 -0.007 443 HG SER 53 HG SER 53 1.566 14.496 -1.826 444 H ASP 54 H ASP 54 -0.785 13.834 -2.853 445 HA ASP 54 HA ASP 54 -2.581 15.632 -1.498 446 HB2 ASP 54 1HB ASP 54 -1.415 16.234 -3.531 447 HB3 ASP 54 2HB ASP 54 -2.079 14.837 -4.387 448 H ILE 55 H ILE 55 -3.048 12.425 -3.144 449 HA ILE 55 HA ILE 55 -5.942 12.822 -3.133 450 HB ILE 55 HB ILE 55 -6.108 10.526 -3.837 451 HG12 ILE 55 1HG1 ILE 55 -3.241 9.964 -4.244 452 HG13 ILE 55 2HG1 ILE 55 -3.651 10.076 -2.561 453 HG21 ILE 55 1HG2 ILE 55 -4.975 10.736 -6.010 454 HG22 ILE 55 2HG2 ILE 55 -5.805 12.207 -5.517 455 HG23 ILE 55 3HG2 ILE 55 -4.041 12.119 -5.385 456 HD11 ILE 55 1HD1 ILE 55 -5.473 8.438 -2.895 457 HD12 ILE 55 2HD1 ILE 55 -5.065 8.325 -4.617 458 HD13 ILE 55 3HD1 ILE 55 -3.898 7.775 -3.394 459 H THR 56 H THR 56 -7.417 11.173 -2.017 460 HA THR 56 HA THR 56 -6.561 10.864 0.802 461 HB THR 56 HB THR 56 -9.011 10.891 1.281 462 HG1 THR 56 1HG THR 56 -10.410 11.499 -0.311 463 HG21 THR 56 1HG2 THR 56 -7.931 13.324 -0.215 464 HG22 THR 56 2HG2 THR 56 -7.802 12.990 1.528 465 HG23 THR 56 3HG2 THR 56 -9.375 13.321 0.813 466 H VAL 57 H VAL 57 -7.577 9.073 1.960 467 HA VAL 57 HA VAL 57 -6.885 6.573 0.946 468 HB VAL 57 HB VAL 57 -8.923 7.337 3.071 469 HG11 VAL 57 1HG1 VAL 57 -7.698 4.598 2.608 470 HG12 VAL 57 2HG1 VAL 57 -8.663 5.063 4.028 471 HG13 VAL 57 3HG1 VAL 57 -9.406 5.006 2.439 472 HG21 VAL 57 1HG2 VAL 57 -7.115 6.678 4.674 473 HG22 VAL 57 2HG2 VAL 57 -6.002 6.614 3.283 474 HG23 VAL 57 3HG2 VAL 57 -6.820 8.125 3.756 475 H ALA 58 H ALA 58 -10.087 8.235 0.710 476 HA ALA 58 HA ALA 58 -11.563 6.021 -0.265 477 HB1 ALA 58 1HB ALA 58 -13.115 7.735 -1.135 478 HB2 ALA 58 2HB ALA 58 -12.590 8.150 0.504 479 HB3 ALA 58 3HB ALA 58 -11.893 8.996 -0.892 480 H GLN 59 H GLN 59 -9.672 8.497 -2.028 481 HA GLN 59 HA GLN 59 -10.301 7.553 -4.672 482 HB2 GLN 59 1HB GLN 59 -7.903 9.152 -3.636 483 HB3 GLN 59 2HB GLN 59 -8.388 9.013 -5.328 484 HG2 GLN 59 1HG GLN 59 -10.470 10.208 -4.878 485 HG3 GLN 59 2HG GLN 59 -10.167 10.223 -3.153 486 HE21 GLN 59 1HE2 GLN 59 -8.510 13.294 -3.251 487 HE22 GLN 59 2HE2 GLN 59 -9.202 12.011 -2.287 488 H PHE 60 H PHE 60 -7.547 7.010 -2.451 489 HA PHE 60 HA PHE 60 -6.029 5.302 -4.086 490 HB2 PHE 60 2HB PHE 60 -5.312 6.430 -1.964 491 HB3 PHE 60 3HB PHE 60 -6.307 5.320 -1.061 492 HD1 PHE 60 1HD PHE 60 -4.053 5.243 0.144 493 HD2 PHE 60 2HD PHE 60 -4.625 3.538 -3.789 494 HE1 PHE 60 1HE PHE 60 -2.172 3.685 0.529 495 HE2 PHE 60 2HE PHE 60 -2.866 1.908 -3.340 496 HZ PHE 60 HZ PHE 60 -1.686 1.900 -1.145 497 H MET 61 H MET 61 -8.475 4.446 -1.594 498 HA MET 61 HA MET 61 -8.369 1.659 -1.816 499 HB2 MET 61 1HB MET 61 -9.556 2.871 -0.030 500 HB3 MET 61 2HB MET 61 -10.752 3.472 -1.190 501 HG2 MET 61 1HG MET 61 -11.489 1.151 -1.650 502 HG3 MET 61 2HG MET 61 -10.231 0.544 -0.586 503 HE1 MET 61 1HE MET 61 -13.422 2.919 -0.651 504 HE2 MET 61 2HE MET 61 -13.847 1.195 -0.869 505 HE3 MET 61 3HE MET 61 -14.350 2.050 0.601 506 H TRP 62 H TRP 62 -10.430 3.992 -3.633 507 HA TRP 62 HA TRP 62 -11.823 2.041 -5.160 508 HB2 TRP 62 2HB TRP 62 -11.295 4.980 -5.379 509 HB3 TRP 62 3HB TRP 62 -11.873 4.163 -6.795 510 HD1 TRP 62 HD1 TRP 62 -12.947 4.339 -3.054 511 HE1 TRP 62 1HE TRP 62 -15.464 4.754 -2.961 512 HE3 TRP 62 3HE TRP 62 -14.048 3.828 -8.022 513 HZ2 TRP 62 2HZ TRP 62 -17.704 4.745 -4.771 514 HZ3 TRP 62 3HZ TRP 62 -16.390 3.961 -8.799 515 HH2 TRP 62 HH2 TRP 62 -18.227 4.482 -7.206 516 H ILE 63 H ILE 63 -8.664 3.698 -5.777 517 HA ILE 63 HA ILE 63 -8.305 2.514 -8.333 518 HB ILE 63 HB ILE 63 -6.243 3.504 -6.329 519 HG12 ILE 63 1HG1 ILE 63 -7.136 4.857 -8.892 520 HG13 ILE 63 2HG1 ILE 63 -8.062 5.092 -7.429 521 HG21 ILE 63 1HG2 ILE 63 -5.017 2.098 -7.801 522 HG22 ILE 63 2HG2 ILE 63 -5.997 2.572 -9.208 523 HG23 ILE 63 3HG2 ILE 63 -4.852 3.710 -8.506 524 HD11 ILE 63 1HD1 ILE 63 -5.926 5.823 -6.251 525 HD12 ILE 63 2HD1 ILE 63 -5.166 5.874 -7.860 526 HD13 ILE 63 3HD1 ILE 63 -6.558 6.910 -7.482 527 H ILE 64 H ILE 64 -7.148 1.348 -5.075 528 HA ILE 64 HA ILE 64 -5.820 -0.934 -6.068 529 HB ILE 64 HB ILE 64 -7.340 -0.656 -3.447 530 HG12 ILE 64 1HG1 ILE 64 -4.327 -0.468 -3.801 531 HG13 ILE 64 2HG1 ILE 64 -5.357 0.956 -3.904 532 HG21 ILE 64 1HG2 ILE 64 -6.956 -3.053 -3.931 533 HG22 ILE 64 2HG2 ILE 64 -5.255 -2.723 -4.303 534 HG23 ILE 64 3HG2 ILE 64 -5.867 -2.565 -2.651 535 HD11 ILE 64 1HD1 ILE 64 -5.215 -0.891 -1.481 536 HD12 ILE 64 2HD1 ILE 64 -4.413 0.652 -1.641 537 HD13 ILE 64 3HD1 ILE 64 -6.182 0.599 -1.633 538 H ARG 65 H ARG 65 -9.284 -0.706 -4.998 539 HA ARG 65 HA ARG 65 -9.800 -3.410 -5.735 540 HB2 ARG 65 1HB ARG 65 -12.153 -2.921 -5.544 541 HB3 ARG 65 2HB ARG 65 -11.239 -2.214 -4.212 542 HG2 ARG 65 1HG ARG 65 -11.332 -0.037 -5.254 543 HG3 ARG 65 2HG ARG 65 -12.204 -0.669 -6.645 544 HD2 ARG 65 1HD ARG 65 -13.201 -0.780 -3.769 545 HD3 ARG 65 2HD ARG 65 -13.573 0.516 -4.917 546 HE ARG 65 HE ARG 65 -14.202 -2.008 -6.107 547 HH11 ARG 65 1HH1 ARG 65 -15.381 0.736 -4.348 548 HH12 ARG 65 2HH1 ARG 65 -17.043 0.434 -4.662 549 HH21 ARG 65 1HH2 ARG 65 -16.454 -2.682 -6.271 550 HH22 ARG 65 2HH2 ARG 65 -17.659 -1.639 -5.601 551 H LYS 66 H LYS 66 -9.906 -0.465 -7.807 552 HA LYS 66 HA LYS 66 -11.064 -1.959 -10.006 553 HB2 LYS 66 1HB LYS 66 -9.551 0.695 -9.969 554 HB3 LYS 66 2HB LYS 66 -10.266 -0.045 -11.406 555 HG2 LYS 66 1HG LYS 66 -12.441 -0.128 -9.782 556 HG3 LYS 66 2HG LYS 66 -11.647 1.276 -9.091 557 HD2 LYS 66 1HD LYS 66 -12.515 0.875 -11.951 558 HD3 LYS 66 2HD LYS 66 -13.235 1.975 -10.773 559 HE2 LYS 66 1HE LYS 66 -11.314 3.436 -10.791 560 HE3 LYS 66 2HE LYS 66 -10.328 2.235 -11.635 561 HZ1 LYS 66 1HZ LYS 66 -11.003 3.880 -13.157 562 HZ2 LYS 66 2HZ LYS 66 -12.586 3.727 -12.795 563 HZ3 LYS 66 3HZ LYS 66 -11.775 2.480 -13.555 564 H ARG 67 H ARG 67 -7.662 -1.326 -8.982 565 HA ARG 67 HA ARG 67 -6.364 -2.308 -11.310 566 HB2 ARG 67 1HB ARG 67 -5.622 -2.104 -8.354 567 HB3 ARG 67 2HB ARG 67 -4.518 -2.737 -9.540 568 HG2 ARG 67 1HG ARG 67 -5.632 -0.094 -10.317 569 HG3 ARG 67 2HG ARG 67 -4.783 -0.082 -8.770 570 HD2 ARG 67 1HD ARG 67 -3.223 0.466 -10.563 571 HD3 ARG 67 2HD ARG 67 -2.779 -1.045 -9.779 572 HE ARG 67 HE ARG 67 -3.296 -2.260 -11.666 573 HH11 ARG 67 1HH1 ARG 67 -4.142 1.187 -12.284 574 HH12 ARG 67 2HH1 ARG 67 -4.135 0.960 -13.993 575 HH21 ARG 67 1HH2 ARG 67 -3.661 -2.540 -13.850 576 HH22 ARG 67 2HH2 ARG 67 -4.080 -1.190 -14.884 577 H ILE 68 H ILE 68 -7.257 -3.930 -8.209 578 HA ILE 68 HA ILE 68 -6.433 -6.521 -9.267 579 HB ILE 68 HB ILE 68 -7.043 -7.422 -7.179 580 HG12 ILE 68 1HG1 ILE 68 -8.575 -4.884 -6.614 581 HG13 ILE 68 2HG1 ILE 68 -9.241 -6.484 -6.839 582 HG21 ILE 68 1HG2 ILE 68 -5.905 -4.692 -6.530 583 HG22 ILE 68 2HG2 ILE 68 -5.617 -6.234 -5.693 584 HG23 ILE 68 3HG2 ILE 68 -4.990 -6.004 -7.322 585 HD11 ILE 68 1HD1 ILE 68 -8.045 -7.255 -4.793 586 HD12 ILE 68 2HD1 ILE 68 -7.565 -5.563 -4.485 587 HD13 ILE 68 3HD1 ILE 68 -9.285 -6.012 -4.506 588 H GLN 69 H GLN 69 -9.025 -4.669 -10.049 589 HA GLN 69 HA GLN 69 -11.091 -4.947 -10.882 590 HB2 GLN 69 1HB GLN 69 -9.974 -7.638 -11.748 591 HB3 GLN 69 2HB GLN 69 -11.391 -6.840 -12.414 592 HG2 GLN 69 1HG GLN 69 -9.962 -4.958 -13.198 593 HG3 GLN 69 2HG GLN 69 -8.532 -5.830 -12.611 594 HE21 GLN 69 1HE2 GLN 69 -9.799 -6.772 -16.238 595 HE22 GLN 69 2HE2 GLN 69 -10.071 -5.219 -15.463 596 H LEU 70 H LEU 70 -11.347 -5.163 -8.334 597 HA LEU 70 HA LEU 70 -12.228 -7.605 -7.224 598 HB2 LEU 70 1HB LEU 70 -11.518 -5.726 -5.886 599 HB3 LEU 70 2HB LEU 70 -12.828 -4.729 -6.492 600 HG LEU 70 HG LEU 70 -12.863 -5.844 -4.080 601 HD11 LEU 70 1HD1 LEU 70 -14.588 -4.326 -4.950 602 HD12 LEU 70 2HD1 LEU 70 -15.204 -5.612 -3.895 603 HD13 LEU 70 3HD1 LEU 70 -15.413 -5.747 -5.633 604 HD21 LEU 70 1HD2 LEU 70 -14.010 -7.847 -3.814 605 HD22 LEU 70 2HD2 LEU 70 -12.716 -8.185 -4.973 606 HD23 LEU 70 3HD2 LEU 70 -14.397 -7.981 -5.519 607 HA PRO 71 HA PRO 71 -16.063 -7.562 -9.687 608 HB2 PRO 71 2HB PRO 71 -16.984 -10.047 -8.993 609 HB3 PRO 71 3HB PRO 71 -15.605 -9.786 -10.113 610 HG2 PRO 71 2HG PRO 71 -15.455 -10.346 -7.122 611 HG3 PRO 71 3HG PRO 71 -14.638 -11.234 -8.458 612 HD2 PRO 71 2HD PRO 71 -13.425 -9.283 -7.082 613 HD3 PRO 71 3HD PRO 71 -13.193 -9.429 -8.840 614 H SER 72 H SER 72 -18.428 -7.700 -9.215 615 HA SER 72 HA SER 72 -19.015 -6.449 -6.646 616 HB2 SER 72 1HB SER 72 -20.792 -7.503 -8.875 617 HB3 SER 72 2HB SER 72 -21.412 -6.831 -7.358 618 HG SER 72 HG SER 72 -19.928 -5.470 -9.367 619 H GLU 73 H GLU 73 -18.845 -9.828 -7.671 620 HA GLU 73 HA GLU 73 -20.603 -10.922 -5.731 621 HB2 GLU 73 1HB GLU 73 -19.642 -13.047 -6.285 622 HB3 GLU 73 2HB GLU 73 -19.749 -12.099 -7.753 623 HG2 GLU 73 1HG GLU 73 -17.240 -11.450 -7.006 624 HG3 GLU 73 2HG GLU 73 -17.358 -13.039 -6.254 625 H LYS 74 H LYS 74 -17.245 -9.818 -5.475 626 HA LYS 74 HA LYS 74 -17.148 -10.772 -2.686 627 HB2 LYS 74 1HB LYS 74 -14.742 -10.011 -4.380 628 HB3 LYS 74 2HB LYS 74 -14.736 -10.692 -2.769 629 HG2 LYS 74 1HG LYS 74 -15.628 -12.066 -5.318 630 HG3 LYS 74 2HG LYS 74 -14.134 -12.333 -4.459 631 HD2 LYS 74 1HD LYS 74 -16.784 -12.859 -3.120 632 HD3 LYS 74 2HD LYS 74 -16.003 -14.062 -4.144 633 HE2 LYS 74 1HE LYS 74 -14.031 -14.149 -2.751 634 HE3 LYS 74 2HE LYS 74 -14.480 -12.655 -1.913 635 HZ1 LYS 74 1HZ LYS 74 -16.245 -13.751 -0.834 636 HZ2 LYS 74 2HZ LYS 74 -14.875 -14.557 -0.517 637 HZ3 LYS 74 3HZ LYS 74 -15.959 -15.176 -1.614 638 H ALA 75 H ALA 75 -15.853 -9.418 -1.250 639 HA ALA 75 HA ALA 75 -16.597 -6.541 -1.486 640 HB1 ALA 75 1HB ALA 75 -16.269 -8.312 0.986 641 HB2 ALA 75 2HB ALA 75 -16.610 -6.567 1.008 642 HB3 ALA 75 3HB ALA 75 -17.802 -7.695 0.337 643 H ILE 76 H ILE 76 -14.900 -5.256 0.019 644 HA ILE 76 HA ILE 76 -12.200 -6.365 -0.065 645 HB ILE 76 HB ILE 76 -12.328 -5.337 -2.189 646 HG12 ILE 76 1HG1 ILE 76 -10.772 -3.386 -2.000 647 HG13 ILE 76 2HG1 ILE 76 -10.811 -3.562 -0.260 648 HG21 ILE 76 1HG2 ILE 76 -13.398 -2.795 -0.921 649 HG22 ILE 76 2HG2 ILE 76 -12.943 -2.999 -2.626 650 HG23 ILE 76 3HG2 ILE 76 -14.300 -3.916 -1.979 651 HD11 ILE 76 1HD1 ILE 76 -9.928 -5.654 -2.291 652 HD12 ILE 76 2HD1 ILE 76 -8.859 -4.630 -1.330 653 HD13 ILE 76 3HD1 ILE 76 -9.871 -5.855 -0.520 654 H PHE 77 H PHE 77 -10.941 -5.480 1.536 655 HA PHE 77 HA PHE 77 -11.931 -3.265 3.205 656 HB2 PHE 77 2HB PHE 77 -11.190 -5.996 4.357 657 HB3 PHE 77 3HB PHE 77 -11.619 -4.561 5.281 658 HD1 PHE 77 1HD PHE 77 -12.870 -7.424 3.374 659 HD2 PHE 77 2HD PHE 77 -13.990 -3.679 5.211 660 HE1 PHE 77 1HE PHE 77 -15.265 -8.050 3.198 661 HE2 PHE 77 2HE PHE 77 -16.386 -4.313 5.030 662 HZ PHE 77 HZ PHE 77 -17.018 -6.498 4.004 663 H LEU 78 H LEU 78 -10.190 -2.047 3.929 664 HA LEU 78 HA LEU 78 -7.422 -3.073 3.444 665 HB2 LEU 78 1HB LEU 78 -8.604 -0.266 3.353 666 HB3 LEU 78 2HB LEU 78 -6.873 -0.569 3.376 667 HG LEU 78 HG LEU 78 -8.672 -1.725 1.223 668 HD11 LEU 78 1HD1 LEU 78 -7.929 0.210 -0.162 669 HD12 LEU 78 2HD1 LEU 78 -7.112 0.897 1.247 670 HD13 LEU 78 3HD1 LEU 78 -8.871 0.738 1.251 671 HD21 LEU 78 1HD2 LEU 78 -6.658 -2.060 -0.027 672 HD22 LEU 78 2HD2 LEU 78 -6.336 -2.697 1.590 673 HD23 LEU 78 3HD2 LEU 78 -5.698 -1.115 1.121 674 H PHE 79 H PHE 79 -5.946 -2.875 5.075 675 HA PHE 79 HA PHE 79 -6.696 -1.462 7.581 676 HB2 PHE 79 2HB PHE 79 -5.619 -4.303 7.319 677 HB3 PHE 79 3HB PHE 79 -5.665 -3.389 8.817 678 HD1 PHE 79 1HD PHE 79 -7.634 -5.347 6.432 679 HD2 PHE 79 2HD PHE 79 -7.828 -2.762 9.880 680 HE1 PHE 79 1HE PHE 79 -9.944 -6.140 6.898 681 HE2 PHE 79 2HE PHE 79 -10.131 -3.568 10.355 682 HZ PHE 79 HZ PHE 79 -11.176 -5.263 8.858 683 H VAL 80 H VAL 80 -4.969 -0.365 8.500 684 HA VAL 80 HA VAL 80 -2.261 -0.843 7.432 685 HB VAL 80 HB VAL 80 -3.324 1.921 8.075 686 HG11 VAL 80 1HG1 VAL 80 -0.936 0.968 6.405 687 HG12 VAL 80 2HG1 VAL 80 -1.353 2.655 6.793 688 HG13 VAL 80 3HG1 VAL 80 -0.850 1.562 8.076 689 HG21 VAL 80 1HG2 VAL 80 -3.506 2.419 5.691 690 HG22 VAL 80 2HG2 VAL 80 -3.187 0.712 5.306 691 HG23 VAL 80 3HG2 VAL 80 -4.666 1.176 6.173 692 H ASP 81 H ASP 81 -0.868 -1.167 9.105 693 HA ASP 81 HA ASP 81 -0.397 -1.820 11.278 694 HB2 ASP 81 1HB ASP 81 0.445 0.478 10.857 695 HB3 ASP 81 2HB ASP 81 -1.030 1.125 11.575 696 H LYS 82 H LYS 82 -2.884 -2.694 10.843 697 HA LYS 82 HA LYS 82 -4.558 -3.709 11.960 698 HB2 LYS 82 1HB LYS 82 -2.584 -3.530 13.829 699 HB3 LYS 82 2HB LYS 82 -3.814 -2.603 14.642 700 HG2 LYS 82 1HG LYS 82 -4.545 -4.587 15.427 701 HG3 LYS 82 2HG LYS 82 -5.287 -4.786 13.832 702 HD2 LYS 82 1HD LYS 82 -4.083 -6.792 14.243 703 HD3 LYS 82 2HD LYS 82 -3.089 -5.876 13.086 704 HE2 LYS 82 1HE LYS 82 -1.706 -5.033 15.008 705 HE3 LYS 82 2HE LYS 82 -2.717 -5.953 16.119 706 HZ1 LYS 82 1HZ LYS 82 -0.958 -7.107 14.044 707 HZ2 LYS 82 2HZ LYS 82 -1.946 -7.984 15.009 708 HZ3 LYS 82 3HZ LYS 82 -0.715 -7.113 15.670 709 H THR 83 H THR 83 -4.735 -0.620 11.241 710 HA THR 83 HA THR 83 -7.243 -0.132 12.762 711 HB THR 83 HB THR 83 -6.779 2.234 12.640 712 HG1 THR 83 1HG THR 83 -5.339 3.006 11.370 713 HG21 THR 83 1HG2 THR 83 -4.892 2.400 14.113 714 HG22 THR 83 2HG2 THR 83 -4.288 0.800 13.620 715 HG23 THR 83 3HG2 THR 83 -5.817 0.946 14.542 716 H VAL 84 H VAL 84 -8.745 1.337 11.686 717 HA VAL 84 HA VAL 84 -9.139 0.531 8.891 718 HB VAL 84 HB VAL 84 -10.981 0.041 10.276 719 HG11 VAL 84 1HG1 VAL 84 -10.601 1.665 12.162 720 HG12 VAL 84 2HG1 VAL 84 -11.287 2.946 11.140 721 HG13 VAL 84 3HG1 VAL 84 -12.268 1.562 11.610 722 HG21 VAL 84 1HG2 VAL 84 -12.748 1.181 9.084 723 HG22 VAL 84 2HG2 VAL 84 -11.691 2.558 8.714 724 HG23 VAL 84 3HG2 VAL 84 -11.381 0.971 7.990 725 HA PRO 85 HA PRO 85 -7.250 4.658 8.366 726 HB2 PRO 85 2HB PRO 85 -6.980 4.635 5.633 727 HB3 PRO 85 3HB PRO 85 -5.883 3.775 6.753 728 HG2 PRO 85 2HG PRO 85 -8.249 2.631 5.238 729 HG3 PRO 85 3HG PRO 85 -6.584 1.967 5.370 730 HD2 PRO 85 2HD PRO 85 -8.558 1.061 6.956 731 HD3 PRO 85 3HD PRO 85 -6.901 1.300 7.592 732 H GLN 86 H GLN 86 -8.318 6.585 8.212 733 HA GLN 86 HA GLN 86 -11.145 6.653 7.750 734 HB2 GLN 86 1HB GLN 86 -10.049 8.165 9.319 735 HB3 GLN 86 2HB GLN 86 -9.084 8.838 8.029 736 HG2 GLN 86 1HG GLN 86 -11.340 9.548 6.927 737 HG3 GLN 86 2HG GLN 86 -12.095 9.096 8.448 738 HE21 GLN 86 1HE2 GLN 86 -11.581 12.634 8.887 739 HE22 GLN 86 2HE2 GLN 86 -12.755 11.496 8.232 740 H SER 87 H SER 87 -12.093 6.563 5.725 741 HA SER 87 HA SER 87 -10.870 6.730 3.303 742 HB2 SER 87 1HB SER 87 -13.718 7.593 3.759 743 HB3 SER 87 2HB SER 87 -13.012 6.802 2.336 744 HG SER 87 HG SER 87 -12.462 5.023 3.895 745 H SER 88 H SER 88 -12.206 9.569 5.065 746 HA SER 88 HA SER 88 -11.601 11.368 2.866 747 HB2 SER 88 1HB SER 88 -12.984 11.487 5.476 748 HB3 SER 88 2HB SER 88 -12.069 12.939 5.128 749 HG SER 88 HG SER 88 -13.096 13.024 3.090 750 H LEU 89 H LEU 89 -9.414 10.035 5.199 751 HA LEU 89 HA LEU 89 -7.976 12.469 5.757 752 HB2 LEU 89 1HB LEU 89 -8.021 10.412 7.165 753 HB3 LEU 89 2HB LEU 89 -7.004 9.591 5.979 754 HG LEU 89 HG LEU 89 -5.182 11.190 6.474 755 HD11 LEU 89 1HD1 LEU 89 -6.326 13.249 7.047 756 HD12 LEU 89 2HD1 LEU 89 -5.470 12.735 8.490 757 HD13 LEU 89 3HD1 LEU 89 -7.212 12.461 8.371 758 HD21 LEU 89 1HD2 LEU 89 -5.518 9.134 7.920 759 HD22 LEU 89 2HD2 LEU 89 -6.401 10.137 9.071 760 HD23 LEU 89 3HD2 LEU 89 -4.684 10.454 8.744 761 H THR 90 H THR 90 -6.073 13.254 4.807 762 HA THR 90 HA THR 90 -5.716 12.594 2.004 763 HB THR 90 HB THR 90 -3.811 14.467 3.281 764 HG1 THR 90 1HG THR 90 -6.211 15.727 2.954 765 HG21 THR 90 1HG2 THR 90 -4.470 15.879 1.369 766 HG22 THR 90 2HG2 THR 90 -5.791 14.750 0.977 767 HG23 THR 90 3HG2 THR 90 -4.102 14.230 0.828 768 H MET 91 H MET 91 -3.874 11.684 1.079 769 HA MET 91 HA MET 91 -2.619 9.636 2.520 770 HB2 MET 91 1HB MET 91 -2.086 11.014 -0.112 771 HB3 MET 91 2HB MET 91 -0.806 10.033 0.635 772 HG2 MET 91 1HG MET 91 -3.559 8.882 0.150 773 HG3 MET 91 2HG MET 91 -2.363 8.991 -1.123 774 HE1 MET 91 1HE MET 91 -2.447 7.591 2.719 775 HE2 MET 91 2HE MET 91 -3.714 6.909 1.681 776 HE3 MET 91 3HE MET 91 -2.364 5.881 2.216 777 H GLY 92 H GLY 92 -1.375 12.984 1.907 778 HA2 GLY 92 1HA GLY 92 1.196 12.558 3.025 779 HA3 GLY 92 2HA GLY 92 0.334 14.111 2.998 780 H GLN 93 H GLN 93 -1.880 13.306 4.690 781 HA GLN 93 HA GLN 93 -0.695 13.788 7.268 782 HB2 GLN 93 1HB GLN 93 -3.254 14.101 6.102 783 HB3 GLN 93 2HB GLN 93 -3.490 12.818 7.279 784 HG2 GLN 93 1HG GLN 93 -2.312 15.554 7.854 785 HG3 GLN 93 2HG GLN 93 -3.955 15.039 8.233 786 HE21 GLN 93 1HE2 GLN 93 -0.919 14.209 10.800 787 HE22 GLN 93 2HE2 GLN 93 -0.911 15.458 9.572 788 H LEU 94 H LEU 94 -2.506 11.080 5.827 789 HA LEU 94 HA LEU 94 -2.193 9.276 7.987 790 HB2 LEU 94 1HB LEU 94 -3.887 9.066 6.318 791 HB3 LEU 94 2HB LEU 94 -2.757 8.825 5.020 792 HG LEU 94 HG LEU 94 -2.729 6.994 7.475 793 HD11 LEU 94 1HD1 LEU 94 -5.078 7.126 6.869 794 HD12 LEU 94 2HD1 LEU 94 -4.417 5.544 6.498 795 HD13 LEU 94 3HD1 LEU 94 -4.684 6.727 5.180 796 HD21 LEU 94 1HD2 LEU 94 -2.266 6.305 4.538 797 HD22 LEU 94 2HD2 LEU 94 -2.081 5.220 5.947 798 HD23 LEU 94 3HD2 LEU 94 -0.982 6.566 5.725 799 H TYR 95 H TYR 95 -0.112 9.933 5.200 800 HA TYR 95 HA TYR 95 1.696 7.788 5.498 801 HB2 TYR 95 2HB TYR 95 1.719 9.100 3.467 802 HB3 TYR 95 3HB TYR 95 2.090 10.578 4.354 803 HD1 TYR 95 1HD TYR 95 3.668 7.164 4.756 804 HD2 TYR 95 2HD TYR 95 4.174 11.254 3.477 805 HE1 TYR 95 1HE TYR 95 6.022 6.708 4.277 806 HE2 TYR 95 2HE TYR 95 6.560 10.795 2.967 807 HH TYR 95 HH TYR 95 7.958 7.489 3.331 808 H GLU 96 H GLU 96 1.891 11.248 6.721 809 HA GLU 96 HA GLU 96 4.278 10.844 8.164 810 HB2 GLU 96 1HB GLU 96 1.956 12.763 8.397 811 HB3 GLU 96 2HB GLU 96 3.152 12.742 9.673 812 HG2 GLU 96 1HG GLU 96 3.912 13.095 6.751 813 HG3 GLU 96 2HG GLU 96 3.506 14.439 7.815 814 H LYS 97 H LYS 97 0.919 10.536 9.461 815 HA LYS 97 HA LYS 97 1.926 9.638 11.999 816 HB2 LYS 97 1HB LYS 97 -0.347 9.262 12.665 817 HB3 LYS 97 2HB LYS 97 -0.187 10.787 11.783 818 HG2 LYS 97 1HG LYS 97 -1.948 10.111 10.512 819 HG3 LYS 97 2HG LYS 97 -0.821 9.034 9.740 820 HD2 LYS 97 1HD LYS 97 -2.509 7.618 10.271 821 HD3 LYS 97 2HD LYS 97 -1.439 7.371 11.676 822 HE2 LYS 97 1HE LYS 97 -2.855 8.696 13.082 823 HE3 LYS 97 2HE LYS 97 -3.749 9.328 11.684 824 HZ1 LYS 97 1HZ LYS 97 -4.419 7.002 11.234 825 HZ2 LYS 97 2HZ LYS 97 -5.055 7.635 12.619 826 HZ3 LYS 97 3HZ LYS 97 -3.796 6.553 12.673 827 H GLU 98 H GLU 98 1.243 7.770 9.032 828 HA GLU 98 HA GLU 98 1.590 5.317 10.704 829 HB2 GLU 98 1HB GLU 98 0.586 5.587 7.886 830 HB3 GLU 98 2HB GLU 98 0.678 4.104 8.823 831 HG2 GLU 98 1HG GLU 98 -0.768 5.723 10.520 832 HG3 GLU 98 2HG GLU 98 -1.260 6.360 8.974 833 H LYS 99 H LYS 99 3.555 7.378 9.197 834 HA LYS 99 HA LYS 99 5.220 6.014 7.467 835 HB2 LYS 99 1HB LYS 99 5.278 8.491 8.190 836 HB3 LYS 99 2HB LYS 99 6.071 7.977 9.651 837 HG2 LYS 99 1HG LYS 99 8.006 7.232 8.330 838 HG3 LYS 99 2HG LYS 99 7.121 7.548 6.827 839 HD2 LYS 99 1HD LYS 99 8.722 9.358 7.314 840 HD3 LYS 99 2HD LYS 99 7.048 9.948 7.314 841 HE2 LYS 99 1HE LYS 99 7.026 9.786 9.805 842 HE3 LYS 99 2HE LYS 99 8.716 9.271 9.782 843 HZ1 LYS 99 1HZ LYS 99 7.716 11.888 8.811 844 HZ2 LYS 99 2HZ LYS 99 9.312 11.391 8.881 845 HZ3 LYS 99 3HZ LYS 99 8.471 11.592 10.258 846 H ASP 100 H ASP 100 6.346 4.150 7.712 847 HA ASP 100 HA ASP 100 6.937 3.121 10.376 848 HB2 ASP 100 1HB ASP 100 6.427 1.760 8.219 849 HB3 ASP 100 2HB ASP 100 8.110 2.095 7.767 850 H GLU 101 H GLU 101 9.395 2.354 10.791 851 HA GLU 101 HA GLU 101 10.925 4.694 11.113 852 HB2 GLU 101 1HB GLU 101 12.623 3.239 11.942 853 HB3 GLU 101 2HB GLU 101 11.071 2.524 12.387 854 HG2 GLU 101 1HG GLU 101 11.330 1.070 10.255 855 HG3 GLU 101 2HG GLU 101 12.990 1.620 10.214 856 H ASP 102 H ASP 102 10.796 2.311 8.551 857 HA ASP 102 HA ASP 102 13.019 3.514 7.065 858 HB2 ASP 102 1HB ASP 102 11.318 1.060 6.721 859 HB3 ASP 102 2HB ASP 102 12.317 1.653 5.391 860 H GLY 103 H GLY 103 10.313 4.908 7.537 861 HA2 GLY 103 1HA GLY 103 9.046 6.424 6.463 862 HA3 GLY 103 2HA GLY 103 10.301 6.490 5.237 863 H PHE 104 H PHE 104 8.357 3.529 5.781 864 HA PHE 104 HA PHE 104 6.977 4.066 3.195 865 HB2 PHE 104 2HB PHE 104 7.299 1.847 2.503 866 HB3 PHE 104 3HB PHE 104 8.869 2.365 3.091 867 HD1 PHE 104 1HD PHE 104 6.086 0.073 3.538 868 HD2 PHE 104 2HD PHE 104 9.660 1.573 5.385 869 HE1 PHE 104 1HE PHE 104 6.011 -1.751 5.232 870 HE2 PHE 104 2HE PHE 104 9.554 -0.277 7.068 871 HZ PHE 104 HZ PHE 104 7.623 -1.905 6.991 872 H LEU 105 H LEU 105 5.088 2.372 2.943 873 HA LEU 105 HA LEU 105 3.520 2.376 5.487 874 HB2 LEU 105 1HB LEU 105 2.958 4.160 3.677 875 HB3 LEU 105 2HB LEU 105 2.354 2.786 2.746 876 HG LEU 105 HG LEU 105 0.875 2.329 4.864 877 HD11 LEU 105 1HD1 LEU 105 1.485 5.295 5.277 878 HD12 LEU 105 2HD1 LEU 105 2.094 3.997 6.317 879 HD13 LEU 105 3HD1 LEU 105 0.356 4.265 6.186 880 HD21 LEU 105 1HD2 LEU 105 -0.831 3.933 4.071 881 HD22 LEU 105 2HD2 LEU 105 -0.043 3.116 2.711 882 HD23 LEU 105 3HD2 LEU 105 0.399 4.788 3.119 883 H TYR 106 H TYR 106 2.427 0.472 5.949 884 HA TYR 106 HA TYR 106 2.536 -1.726 3.940 885 HB2 TYR 106 2HB TYR 106 2.653 -3.296 5.860 886 HB3 TYR 106 3HB TYR 106 4.088 -2.330 5.639 887 HD1 TYR 106 1HD TYR 106 4.630 -0.405 7.140 888 HD2 TYR 106 2HD TYR 106 1.470 -3.220 7.987 889 HE1 TYR 106 1HE TYR 106 4.650 0.268 9.499 890 HE2 TYR 106 2HE TYR 106 1.533 -2.586 10.378 891 HH TYR 106 HH TYR 106 2.387 -0.932 11.967 892 H VAL 107 H VAL 107 0.533 -1.759 3.022 893 HA VAL 107 HA VAL 107 -1.780 -1.750 4.907 894 HB VAL 107 HB VAL 107 -1.797 0.209 3.604 895 HG11 VAL 107 1HG1 VAL 107 -0.453 -0.455 1.647 896 HG12 VAL 107 2HG1 VAL 107 -1.780 -1.492 1.089 897 HG13 VAL 107 3HG1 VAL 107 -2.000 0.261 1.157 898 HG21 VAL 107 1HG2 VAL 107 -3.863 -1.733 2.455 899 HG22 VAL 107 2HG2 VAL 107 -3.973 -0.999 4.057 900 HG23 VAL 107 3HG2 VAL 107 -4.033 0.020 2.627 901 H ALA 108 H ALA 108 -2.927 -3.506 5.091 902 HA ALA 108 HA ALA 108 -2.432 -5.748 3.192 903 HB1 ALA 108 1HB ALA 108 -3.699 -5.671 5.962 904 HB2 ALA 108 2HB ALA 108 -3.456 -7.121 4.962 905 HB3 ALA 108 3HB ALA 108 -2.052 -6.222 5.572 906 H TYR 109 H TYR 109 -4.202 -6.684 2.106 907 HA TYR 109 HA TYR 109 -6.817 -5.329 2.463 908 HB2 TYR 109 2HB TYR 109 -7.232 -5.107 0.220 909 HB3 TYR 109 3HB TYR 109 -5.598 -4.508 0.405 910 HD1 TYR 109 1HD TYR 109 -7.720 -7.114 -1.160 911 HD2 TYR 109 2HD TYR 109 -3.678 -5.786 -0.466 912 HE1 TYR 109 1HE TYR 109 -6.945 -8.449 -3.095 913 HE2 TYR 109 2HE TYR 109 -2.929 -7.046 -2.462 914 HH TYR 109 HH TYR 109 -4.935 -9.328 -4.255 915 H SER 110 H SER 110 -8.646 -6.631 2.123 916 HA SER 110 HA SER 110 -8.180 -9.512 1.645 917 HB2 SER 110 1HB SER 110 -9.611 -9.969 3.735 918 HB3 SER 110 2HB SER 110 -7.927 -9.492 4.004 919 HG SER 110 HG SER 110 -8.817 -7.289 4.195 920 H GLY 111 H GLY 111 -10.097 -10.588 1.100 921 HA2 GLY 111 1HA GLY 111 -12.354 -8.844 0.280 922 HA3 GLY 111 2HA GLY 111 -11.803 -10.272 -0.615 923 H GLU 112 H GLU 112 -11.787 -10.357 2.904 924 HA GLU 112 HA GLU 112 -14.319 -11.894 3.038 925 HB2 GLU 112 1HB GLU 112 -11.593 -12.675 4.153 926 HB3 GLU 112 2HB GLU 112 -13.082 -13.501 4.524 927 HG2 GLU 112 1HG GLU 112 -11.846 -13.294 1.749 928 HG3 GLU 112 2HG GLU 112 -11.602 -14.620 2.839 929 H ASN 113 H ASN 113 -15.527 -10.681 4.442 930 HA ASN 113 HA ASN 113 -14.342 -8.799 6.274 931 HB2 ASN 113 1HB ASN 113 -16.519 -8.311 7.066 932 HB3 ASN 113 2HB ASN 113 -16.684 -8.563 5.339 933 HD21 ASN 113 1HD2 ASN 113 -18.640 -11.029 7.937 934 HD22 ASN 113 2HD2 ASN 113 -17.678 -9.686 8.544 935 H THR 114 H THR 114 -15.596 -12.159 6.601 936 HA THR 114 HA THR 114 -14.790 -12.228 9.441 937 HB THR 114 HB THR 114 -15.733 -14.664 9.048 938 HG1 THR 114 1HG THR 114 -16.251 -14.136 6.755 939 HG21 THR 114 1HG2 THR 114 -17.468 -12.221 9.477 940 HG22 THR 114 2HG2 THR 114 -16.589 -13.136 10.711 941 HG23 THR 114 3HG2 THR 114 -17.936 -13.891 9.844 942 H PHE 115 H PHE 115 -12.887 -12.995 9.997 943 HA PHE 115 HA PHE 115 -11.287 -14.546 8.002 944 HB2 PHE 115 2HB PHE 115 -9.320 -13.422 9.136 945 HB3 PHE 115 3HB PHE 115 -10.349 -12.392 8.165 946 HD1 PHE 115 1HD PHE 115 -9.732 -13.422 11.743 947 HD2 PHE 115 2HD PHE 115 -11.333 -10.428 9.065 948 HE1 PHE 115 1HE PHE 115 -10.079 -11.887 13.652 949 HE2 PHE 115 2HE PHE 115 -11.658 -8.901 10.984 950 HZ PHE 115 HZ PHE 115 -11.024 -9.624 13.287 951 H GLY 116 H GLY 116 -13.128 -15.173 10.592 952 HA2 GLY 116 1HA GLY 116 -11.724 -17.526 11.381 953 HA3 GLY 116 2HA GLY 116 -11.699 -16.275 12.653 954 H1 GLY 330 H GLY 330 23.491 -5.493 2.232 955 HA2 GLY 330 1HA GLY 330 25.830 -7.297 2.459 956 HA3 GLY 330 2HA GLY 330 24.131 -7.817 2.553 957 H ALA 331 H ALA 331 23.924 -9.099 0.684 958 HA ALA 331 HA ALA 331 23.799 -7.785 -1.845 959 HB1 ALA 331 1HB ALA 331 25.485 -9.125 -3.024 960 HB2 ALA 331 2HB ALA 331 26.257 -8.062 -1.837 961 HB3 ALA 331 3HB ALA 331 26.063 -9.801 -1.489 962 H MET 332 H MET 332 21.816 -8.664 -2.247 963 HA MET 332 HA MET 332 21.469 -11.615 -1.969 964 HB2 MET 332 1HB MET 332 19.150 -9.713 -1.891 965 HB3 MET 332 2HB MET 332 19.294 -11.351 -1.278 966 HG2 MET 332 1HG MET 332 20.506 -8.831 -0.087 967 HG3 MET 332 2HG MET 332 19.112 -9.694 0.519 968 HE1 MET 332 1HE MET 332 19.118 -11.480 2.229 969 HE2 MET 332 2HE MET 332 19.599 -12.589 0.928 970 HE3 MET 332 3HE MET 332 20.441 -12.636 2.491 971 H GLU 333 H GLU 333 22.310 -9.625 -4.213 972 HA GLU 333 HA GLU 333 20.457 -9.658 -6.355 973 HB2 GLU 333 1HB GLU 333 23.487 -9.343 -6.310 974 HB3 GLU 333 2HB GLU 333 22.429 -8.893 -7.660 975 HG2 GLU 333 1HG GLU 333 22.283 -7.644 -4.891 976 HG3 GLU 333 2HG GLU 333 23.219 -7.016 -6.235 977 H ILE 334 H ILE 334 20.220 -12.190 -5.691 978 HA ILE 334 HA ILE 334 21.909 -13.901 -7.439 979 HB ILE 334 HB ILE 334 19.903 -14.624 -5.288 980 HG12 ILE 334 1HG1 ILE 334 22.791 -15.062 -4.672 981 HG13 ILE 334 2HG1 ILE 334 22.338 -13.380 -4.646 982 HG21 ILE 334 1HG2 ILE 334 22.017 -16.336 -6.647 983 HG22 ILE 334 2HG2 ILE 334 21.131 -16.811 -5.181 984 HG23 ILE 334 3HG2 ILE 334 20.250 -16.558 -6.665 985 HD11 ILE 334 1HD1 ILE 334 22.107 -14.421 -2.435 986 HD12 ILE 334 2HD1 ILE 334 20.556 -13.803 -3.038 987 HD13 ILE 334 3HD1 ILE 334 20.898 -15.542 -3.093 988 H ILE 335 H ILE 335 20.759 -15.438 -8.619 989 HA ILE 335 HA ILE 335 18.503 -14.464 -10.119 990 HB ILE 335 HB ILE 335 18.837 -16.545 -11.411 991 HG12 ILE 335 1HG1 ILE 335 20.910 -17.909 -11.037 992 HG13 ILE 335 2HG1 ILE 335 21.106 -17.187 -9.447 993 HG21 ILE 335 1HG2 ILE 335 20.956 -15.884 -12.346 994 HG22 ILE 335 2HG2 ILE 335 20.139 -14.423 -11.752 995 HG23 ILE 335 3HG2 ILE 335 21.462 -15.132 -10.822 996 HD11 ILE 335 1HD1 ILE 335 19.101 -18.311 -8.642 997 HD12 ILE 335 2HD1 ILE 335 18.694 -18.859 -10.287 998 HD13 ILE 335 3HD1 ILE 335 20.129 -19.489 -9.456 999 H HIS 336 H HIS 336 18.267 -15.535 -7.153 1000 HA HIS 336 HA HIS 336 15.883 -17.250 -7.587 1001 HB2 HIS 336 1HB HIS 336 17.958 -18.223 -6.434 1002 HB3 HIS 336 2HB HIS 336 17.601 -17.139 -5.093 1003 HD1 HIS 336 HD1 HIS 336 14.377 -18.500 -6.455 1004 HD2 HIS 336 HD2 HIS 336 17.477 -19.635 -3.818 1005 HE1 HIS 336 HE1 HIS 336 13.487 -20.463 -5.117 1006 H GLU 337 H GLU 337 16.541 -14.122 -7.171 1007 HA GLU 337 HA GLU 337 15.245 -13.170 -4.871 1008 HB2 GLU 337 1HB GLU 337 16.632 -11.817 -6.344 1009 HB3 GLU 337 2HB GLU 337 15.590 -12.182 -7.725 1010 HG2 GLU 337 1HG GLU 337 13.728 -10.886 -6.511 1011 HG3 GLU 337 2HG GLU 337 14.984 -10.333 -5.387 1012 H ASP 338 H ASP 338 13.173 -13.894 -4.284 1013 HA ASP 338 HA ASP 338 11.212 -14.477 -6.389 1014 HB2 ASP 338 1HB ASP 338 10.042 -15.711 -4.865 1015 HB3 ASP 338 2HB ASP 338 11.690 -15.964 -4.310 1016 H ASN 339 H ASN 339 12.040 -11.793 -4.479 1017 HA ASN 339 HA ASN 339 9.306 -10.609 -4.804 1018 HB2 ASN 339 1HB ASN 339 11.478 -9.638 -2.922 1019 HB3 ASN 339 2HB ASN 339 9.901 -8.941 -3.211 1020 HD21 ASN 339 1HD2 ASN 339 9.246 -12.333 -1.204 1021 HD22 ASN 339 2HD2 ASN 339 9.351 -12.276 -2.930 1022 H GLU 340 H GLU 340 9.480 -9.616 -6.814 1023 HA GLU 340 HA GLU 340 11.972 -8.596 -7.772 1024 HB2 GLU 340 1HB GLU 340 9.133 -8.262 -8.814 1025 HB3 GLU 340 2HB GLU 340 10.616 -7.783 -9.657 1026 HG2 GLU 340 1HG GLU 340 10.064 -9.852 -10.585 1027 HG3 GLU 340 2HG GLU 340 11.421 -10.176 -9.513 1028 H TRP 341 H TRP 341 9.126 -7.015 -6.315 1029 HA TRP 341 HA TRP 341 8.682 -4.896 -5.665 1030 HB2 TRP 341 2HB TRP 341 11.659 -4.879 -5.118 1031 HB3 TRP 341 3HB TRP 341 10.510 -3.708 -4.488 1032 HD1 TRP 341 HD1 TRP 341 12.364 -6.484 -3.267 1033 HE1 TRP 341 1HE TRP 341 11.257 -7.767 -1.334 1034 HE3 TRP 341 3HE TRP 341 7.593 -4.662 -3.753 1035 HZ2 TRP 341 2HZ TRP 341 8.615 -8.008 -0.214 1036 HZ3 TRP 341 3HZ TRP 341 5.788 -5.638 -2.413 1037 HH2 TRP 341 HH2 TRP 341 6.262 -7.277 -0.619 1038 H GLY 342 H GLY 342 8.323 -4.797 -8.210 1039 HA2 GLY 342 1HA GLY 342 10.065 -2.886 -9.580 1040 HA3 GLY 342 2HA GLY 342 8.548 -3.584 -10.167 1041 H ILE 343 H ILE 343 9.678 -0.643 -9.781 1042 HA ILE 343 HA ILE 343 7.767 0.589 -7.952 1043 HB ILE 343 HB ILE 343 9.731 1.795 -9.947 1044 HG12 ILE 343 1HG1 ILE 343 10.023 1.550 -6.917 1045 HG13 ILE 343 2HG1 ILE 343 10.799 0.469 -8.073 1046 HG21 ILE 343 1HG2 ILE 343 7.960 3.432 -9.382 1047 HG22 ILE 343 2HG2 ILE 343 8.221 3.102 -7.654 1048 HG23 ILE 343 3HG2 ILE 343 9.470 3.906 -8.639 1049 HD11 ILE 343 1HD1 ILE 343 11.770 2.703 -9.109 1050 HD12 ILE 343 2HD1 ILE 343 11.414 3.355 -7.497 1051 HD13 ILE 343 3HD1 ILE 343 12.505 1.962 -7.694 1052 H GLU 344 H GLU 344 5.808 1.505 -8.428 1053 HA GLU 344 HA GLU 344 5.208 2.230 -11.246 1054 HB2 GLU 344 1HB GLU 344 3.830 0.165 -9.566 1055 HB3 GLU 344 2HB GLU 344 2.794 1.294 -10.473 1056 HG2 GLU 344 1HG GLU 344 3.895 0.759 -12.579 1057 HG3 GLU 344 2HG GLU 344 5.047 -0.288 -11.748 1058 H LEU 345 H LEU 345 4.130 4.046 -11.537 1059 HA LEU 345 HA LEU 345 3.533 5.754 -9.203 1060 HB2 LEU 345 1HB LEU 345 3.479 6.265 -12.226 1061 HB3 LEU 345 2HB LEU 345 3.172 7.484 -11.000 1062 HG LEU 345 HG LEU 345 5.825 5.989 -11.243 1063 HD11 LEU 345 1HD1 LEU 345 5.063 8.723 -12.364 1064 HD12 LEU 345 2HD1 LEU 345 5.405 7.264 -13.308 1065 HD13 LEU 345 3HD1 LEU 345 6.694 8.010 -12.358 1066 HD21 LEU 345 1HD2 LEU 345 5.311 7.083 -9.028 1067 HD22 LEU 345 2HD2 LEU 345 5.170 8.634 -9.886 1068 HD23 LEU 345 3HD2 LEU 345 6.711 7.762 -9.859 1069 H VAL 346 H VAL 346 1.468 5.664 -8.405 1070 HA VAL 346 HA VAL 346 -0.737 5.008 -10.286 1071 HB VAL 346 HB VAL 346 -0.339 3.937 -7.478 1072 HG11 VAL 346 1HG1 VAL 346 -2.622 3.513 -9.452 1073 HG12 VAL 346 2HG1 VAL 346 -2.408 2.649 -7.911 1074 HG13 VAL 346 3HG1 VAL 346 -2.710 4.389 -7.902 1075 HG21 VAL 346 1HG2 VAL 346 1.051 2.678 -9.013 1076 HG22 VAL 346 2HG2 VAL 346 -0.408 1.710 -8.786 1077 HG23 VAL 346 3HG2 VAL 346 -0.224 2.655 -10.251 1078 H SER 347 H SER 347 -2.167 6.642 -10.431 1079 HA SER 347 HA SER 347 -2.933 8.198 -8.106 1080 HB2 SER 347 1HB SER 347 -2.334 10.368 -9.420 1081 HB3 SER 347 2HB SER 347 -1.116 9.541 -8.470 1082 HG SER 347 HG SER 347 -1.362 9.307 -11.288 1083 H GLU 348 H GLU 348 -5.110 8.655 -8.333 1084 HA GLU 348 HA GLU 348 -6.373 9.319 -10.738 1085 HB2 GLU 348 1HB GLU 348 -5.986 6.513 -10.463 1086 HB3 GLU 348 2HB GLU 348 -7.609 6.791 -9.847 1087 HG2 GLU 348 1HG GLU 348 -8.249 7.899 -11.948 1088 HG3 GLU 348 2HG GLU 348 -6.592 7.733 -12.554 Start of MODEL 5 1 H1 MET 1 H MET 1 1.893 -12.741 11.655 2 HA MET 1 HA MET 1 3.888 -10.621 11.159 3 HB2 MET 1 1HB MET 1 3.717 -12.682 13.316 4 HB3 MET 1 2HB MET 1 5.304 -12.433 12.608 5 HG2 MET 1 1HG MET 1 3.544 -10.231 13.739 6 HG3 MET 1 2HG MET 1 4.936 -10.963 14.542 7 HE1 MET 1 1HE MET 1 7.340 -10.717 13.968 8 HE2 MET 1 2HE MET 1 7.874 -9.070 13.555 9 HE3 MET 1 3HE MET 1 6.771 -9.328 14.923 10 H GLY 2 H GLY 2 5.675 -11.152 9.856 11 HA2 GLY 2 1HA GLY 2 6.987 -12.913 8.768 12 HA3 GLY 2 2HA GLY 2 5.476 -13.716 8.368 13 H TRP 3 H TRP 3 6.740 -10.359 8.163 14 HA TRP 3 HA TRP 3 5.347 -9.757 5.709 15 HB2 TRP 3 2HB TRP 3 7.491 -8.399 7.420 16 HB3 TRP 3 3HB TRP 3 6.945 -7.735 5.891 17 HD1 TRP 3 HD1 TRP 3 6.312 -7.176 9.353 18 HE1 TRP 3 1HE TRP 3 4.097 -5.938 9.679 19 HE3 TRP 3 3HE TRP 3 4.229 -8.051 4.784 20 HZ2 TRP 3 2HZ TRP 3 1.569 -5.703 8.255 21 HZ3 TRP 3 3HZ TRP 3 1.988 -7.272 4.239 22 HH2 TRP 3 HH2 TRP 3 0.631 -6.004 5.928 23 H MET 4 H MET 4 6.022 -10.638 3.831 24 HA MET 4 HA MET 4 8.365 -12.067 3.340 25 HB2 MET 4 1HB MET 4 6.699 -10.378 1.418 26 HB3 MET 4 2HB MET 4 7.917 -11.555 0.907 27 HG2 MET 4 1HG MET 4 6.677 -13.384 1.822 28 HG3 MET 4 2HG MET 4 5.558 -12.324 2.663 29 HE1 MET 4 1HE MET 4 3.415 -14.197 -0.118 30 HE2 MET 4 2HE MET 4 4.799 -14.821 0.799 31 HE3 MET 4 3HE MET 4 3.542 -13.861 1.619 32 H PHE 5 H PHE 5 7.810 -8.561 2.694 33 HA PHE 5 HA PHE 5 10.344 -8.012 1.674 34 HB2 PHE 5 2HB PHE 5 9.977 -5.680 2.422 35 HB3 PHE 5 3HB PHE 5 8.650 -6.349 1.508 36 HD1 PHE 5 1HD PHE 5 9.730 -5.312 4.937 37 HD2 PHE 5 2HD PHE 5 6.401 -6.407 2.408 38 HE1 PHE 5 1HE PHE 5 8.178 -4.466 6.633 39 HE2 PHE 5 2HE PHE 5 4.856 -5.491 4.106 40 HZ PHE 5 HZ PHE 5 5.722 -4.537 6.225 41 H LYS 6 H LYS 6 9.430 -8.068 5.161 42 HA LYS 6 HA LYS 6 12.040 -7.137 6.008 43 HB2 LYS 6 1HB LYS 6 9.771 -6.790 7.119 44 HB3 LYS 6 2HB LYS 6 9.883 -8.451 7.705 45 HG2 LYS 6 1HG LYS 6 11.645 -7.938 9.169 46 HG3 LYS 6 2HG LYS 6 12.188 -6.543 8.224 47 HD2 LYS 6 1HD LYS 6 10.211 -5.259 8.832 48 HD3 LYS 6 2HD LYS 6 9.540 -6.619 9.736 49 HE2 LYS 6 1HE LYS 6 12.115 -5.114 10.401 50 HE3 LYS 6 2HE LYS 6 10.539 -4.870 11.168 51 HZ1 LYS 6 1HZ LYS 6 11.716 -6.274 12.557 52 HZ2 LYS 6 2HZ LYS 6 12.316 -7.191 11.363 53 HZ3 LYS 6 3HZ LYS 6 10.711 -7.325 11.760 54 H GLU 7 H GLU 7 10.686 -10.330 5.365 55 HA GLU 7 HA GLU 7 12.748 -11.680 6.929 56 HB2 GLU 7 1HB GLU 7 11.053 -12.773 4.648 57 HB3 GLU 7 2HB GLU 7 12.036 -13.703 5.785 58 HG2 GLU 7 1HG GLU 7 9.425 -12.271 6.288 59 HG3 GLU 7 2HG GLU 7 9.827 -13.944 6.491 60 H ASP 8 H ASP 8 12.178 -10.971 3.535 61 HA ASP 8 HA ASP 8 14.767 -11.947 2.648 62 HB2 ASP 8 1HB ASP 8 12.550 -10.340 1.325 63 HB3 ASP 8 2HB ASP 8 14.003 -10.832 0.473 64 H HIS 9 H HIS 9 13.595 -8.481 2.196 65 HA HIS 9 HA HIS 9 15.769 -7.462 3.780 66 HB2 HIS 9 1HB HIS 9 16.741 -6.164 1.707 67 HB3 HIS 9 2HB HIS 9 17.330 -7.761 2.120 68 HD1 HIS 9 HD1 HIS 9 14.243 -6.957 0.016 69 HD2 HIS 9 HD2 HIS 9 18.009 -8.794 -0.161 70 HE1 HIS 9 HE1 HIS 9 14.315 -8.232 -2.212 71 H SER 10 H SER 10 14.757 -5.813 4.767 72 HA SER 10 HA SER 10 12.825 -4.249 3.112 73 HB2 SER 10 1HB SER 10 11.713 -3.647 5.152 74 HB3 SER 10 2HB SER 10 11.776 -5.384 4.908 75 HG SER 10 HG SER 10 12.501 -4.017 7.017 76 H LEU 11 H LEU 11 14.776 -3.616 6.016 77 HA LEU 11 HA LEU 11 15.096 -0.969 5.863 78 HB2 LEU 11 1HB LEU 11 17.060 -1.162 7.240 79 HB3 LEU 11 2HB LEU 11 15.840 -2.342 7.674 80 HG LEU 11 HG LEU 11 17.423 -3.816 5.912 81 HD11 LEU 11 1HD1 LEU 11 19.733 -3.487 6.477 82 HD12 LEU 11 2HD1 LEU 11 19.311 -2.228 7.680 83 HD13 LEU 11 3HD1 LEU 11 19.138 -1.904 5.962 84 HD21 LEU 11 1HD2 LEU 11 16.540 -4.613 8.044 85 HD22 LEU 11 2HD2 LEU 11 17.757 -3.653 8.919 86 HD23 LEU 11 3HD2 LEU 11 18.254 -4.991 7.856 87 H GLU 12 H GLU 12 17.572 -3.023 4.355 88 HA GLU 12 HA GLU 12 19.166 -1.051 3.239 89 HB2 GLU 12 1HB GLU 12 19.033 -3.864 3.416 90 HB3 GLU 12 2HB GLU 12 18.939 -3.581 1.694 91 HG2 GLU 12 1HG GLU 12 21.174 -3.908 2.132 92 HG3 GLU 12 2HG GLU 12 21.050 -2.142 1.964 93 H HIS 13 H HIS 13 16.778 -3.024 1.496 94 HA HIS 13 HA HIS 13 16.770 -1.621 -0.935 95 HB2 HIS 13 1HB HIS 13 15.948 -3.897 -0.687 96 HB3 HIS 13 2HB HIS 13 14.707 -3.389 0.421 97 HD1 HIS 13 HD1 HIS 13 15.164 -4.022 -3.241 98 HD2 HIS 13 HD2 HIS 13 12.776 -1.607 -0.723 99 HE1 HIS 13 HE1 HIS 13 13.183 -3.273 -4.615 100 H ARG 14 H ARG 14 14.518 -1.353 1.843 101 HA ARG 14 HA ARG 14 12.785 0.578 0.658 102 HB2 ARG 14 1HB ARG 14 13.374 0.126 3.606 103 HB3 ARG 14 2HB ARG 14 12.149 1.178 2.980 104 HG2 ARG 14 1HG ARG 14 11.954 -1.650 3.557 105 HG3 ARG 14 2HG ARG 14 10.749 -0.427 3.406 106 HD2 ARG 14 1HD ARG 14 10.017 -1.567 1.669 107 HD3 ARG 14 2HD ARG 14 11.290 -0.824 0.746 108 HE ARG 14 HE ARG 14 12.653 -2.914 1.547 109 HH11 ARG 14 1HH1 ARG 14 9.203 -3.209 1.046 110 HH12 ARG 14 2HH1 ARG 14 9.297 -4.479 -0.134 111 HH21 ARG 14 1HH2 ARG 14 12.689 -5.055 0.559 112 HH22 ARG 14 2HH2 ARG 14 11.369 -5.537 -0.446 113 H CYS 15 H CYS 15 15.801 1.008 2.630 114 HA CYS 15 HA CYS 15 15.543 3.827 2.807 115 HB2 CYS 15 2HB CYS 15 17.039 2.442 4.214 116 HB3 CYS 15 3HB CYS 15 18.075 2.110 2.813 117 HG CYS 15 HG CYS 15 19.173 3.900 4.362 118 H VAL 16 H VAL 16 17.524 1.816 0.492 119 HA VAL 16 HA VAL 16 18.428 3.983 -1.099 120 HB VAL 16 HB VAL 16 17.941 1.030 -1.695 121 HG11 VAL 16 1HG1 VAL 16 19.472 1.323 -3.638 122 HG12 VAL 16 2HG1 VAL 16 17.930 2.128 -3.861 123 HG13 VAL 16 3HG1 VAL 16 19.379 3.086 -3.440 124 HG21 VAL 16 1HG2 VAL 16 19.673 1.520 0.017 125 HG22 VAL 16 2HG2 VAL 16 20.412 0.925 -1.472 126 HG23 VAL 16 3HG2 VAL 16 20.461 2.652 -1.101 127 H GLU 17 H GLU 17 15.500 1.920 -1.564 128 HA GLU 17 HA GLU 17 14.714 3.403 -3.876 129 HB2 GLU 17 1HB GLU 17 13.028 1.665 -2.022 130 HB3 GLU 17 2HB GLU 17 12.469 2.386 -3.538 131 HG2 GLU 17 1HG GLU 17 14.545 0.212 -3.188 132 HG3 GLU 17 2HG GLU 17 13.021 0.162 -4.083 133 H SER 18 H SER 18 14.083 3.981 -0.382 134 HA SER 18 HA SER 18 12.057 5.958 -0.796 135 HB2 SER 18 1HB SER 18 12.591 4.944 1.425 136 HB3 SER 18 2HB SER 18 14.126 5.817 1.441 137 HG SER 18 HG SER 18 12.499 6.826 2.598 138 H ALA 19 H ALA 19 15.678 6.244 -0.507 139 HA ALA 19 HA ALA 19 15.805 9.007 -0.852 140 HB1 ALA 19 1HB ALA 19 18.106 8.584 -1.719 141 HB2 ALA 19 2HB ALA 19 17.744 7.675 -0.236 142 HB3 ALA 19 3HB ALA 19 17.733 6.852 -1.807 143 H LYS 20 H LYS 20 15.931 6.502 -3.447 144 HA LYS 20 HA LYS 20 15.971 8.367 -5.594 145 HB2 LYS 20 1HB LYS 20 15.004 5.480 -5.492 146 HB3 LYS 20 2HB LYS 20 15.059 6.442 -6.973 147 HG2 LYS 20 1HG LYS 20 17.468 6.861 -6.686 148 HG3 LYS 20 2HG LYS 20 17.487 5.842 -5.235 149 HD2 LYS 20 1HD LYS 20 16.616 4.851 -7.991 150 HD3 LYS 20 2HD LYS 20 18.275 4.752 -7.381 151 HE2 LYS 20 1HE LYS 20 17.457 3.469 -5.401 152 HE3 LYS 20 2HE LYS 20 15.812 3.525 -6.048 153 HZ1 LYS 20 1HZ LYS 20 18.119 2.153 -7.297 154 HZ2 LYS 20 2HZ LYS 20 16.582 2.247 -7.937 155 HZ3 LYS 20 3HZ LYS 20 16.803 1.479 -6.524 156 H ILE 21 H ILE 21 13.141 6.653 -4.172 157 HA ILE 21 HA ILE 21 11.187 7.741 -5.903 158 HB ILE 21 HB ILE 21 11.103 6.720 -3.055 159 HG12 ILE 21 1HG1 ILE 21 9.988 5.468 -5.604 160 HG13 ILE 21 2HG1 ILE 21 11.640 5.197 -5.107 161 HG21 ILE 21 1HG2 ILE 21 8.715 7.508 -4.749 162 HG22 ILE 21 2HG2 ILE 21 8.617 6.523 -3.266 163 HG23 ILE 21 3HG2 ILE 21 9.179 8.178 -3.181 164 HD11 ILE 21 1HD1 ILE 21 10.815 4.242 -2.927 165 HD12 ILE 21 2HD1 ILE 21 9.172 4.346 -3.572 166 HD13 ILE 21 3HD1 ILE 21 10.359 3.323 -4.378 167 H ARG 22 H ARG 22 12.470 9.039 -2.769 168 HA ARG 22 HA ARG 22 10.633 11.262 -2.722 169 HB2 ARG 22 1HB ARG 22 13.368 10.837 -1.454 170 HB3 ARG 22 2HB ARG 22 12.271 12.150 -1.035 171 HG2 ARG 22 1HG ARG 22 11.248 9.296 -0.838 172 HG3 ARG 22 2HG ARG 22 12.402 9.854 0.356 173 HD2 ARG 22 1HD ARG 22 9.768 11.228 -0.304 174 HD3 ARG 22 2HD ARG 22 9.978 10.065 1.009 175 HE ARG 22 HE ARG 22 10.629 12.828 0.966 176 HH11 ARG 22 1HH1 ARG 22 11.794 9.738 2.359 177 HH12 ARG 22 2HH1 ARG 22 12.514 10.482 3.758 178 HH21 ARG 22 1HH2 ARG 22 11.494 13.748 2.927 179 HH22 ARG 22 2HH2 ARG 22 12.369 12.780 4.062 180 H ALA 23 H ALA 23 13.926 10.791 -4.092 181 HA ALA 23 HA ALA 23 14.286 13.547 -4.804 182 HB1 ALA 23 1HB ALA 23 15.499 10.999 -5.967 183 HB2 ALA 23 2HB ALA 23 16.018 12.661 -6.309 184 HB3 ALA 23 3HB ALA 23 16.164 12.014 -4.667 185 H LYS 24 H LYS 24 13.099 10.694 -6.674 186 HA LYS 24 HA LYS 24 12.585 12.220 -9.077 187 HB2 LYS 24 1HB LYS 24 11.659 9.468 -8.138 188 HB3 LYS 24 2HB LYS 24 11.316 10.145 -9.728 189 HG2 LYS 24 1HG LYS 24 13.845 10.397 -10.059 190 HG3 LYS 24 2HG LYS 24 14.045 9.404 -8.601 191 HD2 LYS 24 1HD LYS 24 12.514 7.677 -9.729 192 HD3 LYS 24 2HD LYS 24 12.608 8.685 -11.182 193 HE2 LYS 24 1HE LYS 24 15.204 8.458 -10.875 194 HE3 LYS 24 2HE LYS 24 14.796 7.090 -9.807 195 HZ1 LYS 24 1HZ LYS 24 14.115 7.458 -12.643 196 HZ2 LYS 24 2HZ LYS 24 13.481 6.230 -11.724 197 HZ3 LYS 24 3HZ LYS 24 15.116 6.299 -12.022 198 H TYR 25 H TYR 25 10.389 10.937 -6.496 199 HA TYR 25 HA TYR 25 8.267 12.780 -7.475 200 HB2 TYR 25 2HB TYR 25 7.990 9.933 -6.467 201 HB3 TYR 25 3HB TYR 25 6.720 11.003 -7.030 202 HD1 TYR 25 1HD TYR 25 8.985 8.410 -8.001 203 HD2 TYR 25 2HD TYR 25 7.022 11.940 -9.524 204 HE1 TYR 25 1HE TYR 25 9.429 7.666 -10.335 205 HE2 TYR 25 2HE TYR 25 7.446 11.201 -11.816 206 HH TYR 25 HH TYR 25 8.188 9.485 -13.165 207 HA PRO 26 HA PRO 26 9.381 13.506 -3.039 208 HB2 PRO 26 2HB PRO 26 9.012 16.275 -3.105 209 HB3 PRO 26 3HB PRO 26 10.549 15.402 -3.304 210 HG2 PRO 26 2HG PRO 26 8.772 16.613 -5.374 211 HG3 PRO 26 3HG PRO 26 10.544 16.440 -5.404 212 HD2 PRO 26 2HD PRO 26 8.732 14.800 -6.771 213 HD3 PRO 26 3HD PRO 26 10.400 14.311 -6.321 214 H ASP 27 H ASP 27 6.554 14.555 -4.960 215 HA ASP 27 HA ASP 27 4.937 14.934 -2.521 216 HB2 ASP 27 1HB ASP 27 3.097 15.490 -4.081 217 HB3 ASP 27 2HB ASP 27 4.478 16.525 -4.254 218 H ARG 28 H ARG 28 6.128 12.194 -3.692 219 HA ARG 28 HA ARG 28 3.529 10.766 -3.392 220 HB2 ARG 28 1HB ARG 28 5.886 10.020 -5.154 221 HB3 ARG 28 2HB ARG 28 4.534 8.937 -4.765 222 HG2 ARG 28 1HG ARG 28 2.930 10.501 -5.715 223 HG3 ARG 28 2HG ARG 28 4.188 11.653 -6.132 224 HD2 ARG 28 1HD ARG 28 4.951 10.352 -7.944 225 HD3 ARG 28 2HD ARG 28 4.345 8.850 -7.235 226 HE ARG 28 HE ARG 28 2.393 9.113 -8.308 227 HH11 ARG 28 1HH1 ARG 28 3.870 12.376 -8.335 228 HH12 ARG 28 2HH1 ARG 28 2.546 13.075 -9.183 229 HH21 ARG 28 1HH2 ARG 28 0.760 9.997 -9.552 230 HH22 ARG 28 2HH2 ARG 28 0.747 11.657 -9.977 231 H VAL 29 H VAL 29 3.539 8.812 -2.230 232 HA VAL 29 HA VAL 29 5.805 8.555 -0.344 233 HB VAL 29 HB VAL 29 4.185 8.021 1.411 234 HG11 VAL 29 1HG1 VAL 29 3.830 10.768 0.148 235 HG12 VAL 29 2HG1 VAL 29 3.460 10.337 1.821 236 HG13 VAL 29 3HG1 VAL 29 5.128 10.255 1.254 237 HG21 VAL 29 1HG2 VAL 29 2.036 9.032 -0.495 238 HG22 VAL 29 2HG2 VAL 29 2.214 7.356 0.090 239 HG23 VAL 29 3HG2 VAL 29 1.832 8.660 1.219 240 HA PRO 30 HA PRO 30 5.803 4.463 -2.074 241 HB2 PRO 30 2HB PRO 30 7.810 3.329 -0.655 242 HB3 PRO 30 3HB PRO 30 8.078 4.710 -1.732 243 HG2 PRO 30 2HG PRO 30 7.794 4.726 1.254 244 HG3 PRO 30 3HG PRO 30 8.980 5.603 0.251 245 HD2 PRO 30 2HD PRO 30 6.576 6.685 1.212 246 HD3 PRO 30 3HD PRO 30 7.482 7.289 -0.212 247 H VAL 31 H VAL 31 4.015 3.199 -1.766 248 HA VAL 31 HA VAL 31 3.532 2.020 0.901 249 HB VAL 31 HB VAL 31 1.719 2.368 -1.527 250 HG11 VAL 31 1HG1 VAL 31 -0.088 1.947 0.208 251 HG12 VAL 31 2HG1 VAL 31 0.892 0.538 -0.183 252 HG13 VAL 31 3HG1 VAL 31 1.183 1.441 1.324 253 HG21 VAL 31 1HG2 VAL 31 1.689 3.980 1.037 254 HG22 VAL 31 2HG2 VAL 31 2.295 4.575 -0.524 255 HG23 VAL 31 3HG2 VAL 31 0.595 4.134 -0.349 256 H ILE 32 H ILE 32 3.010 -0.165 1.065 257 HA ILE 32 HA ILE 32 3.765 -2.022 -1.114 258 HB ILE 32 HB ILE 32 4.403 -2.183 1.856 259 HG12 ILE 32 1HG1 ILE 32 5.985 -0.732 0.592 260 HG13 ILE 32 2HG1 ILE 32 6.711 -2.137 1.316 261 HG21 ILE 32 1HG2 ILE 32 3.780 -4.375 1.085 262 HG22 ILE 32 2HG2 ILE 32 4.766 -4.224 -0.358 263 HG23 ILE 32 3HG2 ILE 32 5.533 -4.349 1.247 264 HD11 ILE 32 1HD1 ILE 32 7.619 -1.704 -0.922 265 HD12 ILE 32 2HD1 ILE 32 6.841 -3.280 -0.842 266 HD13 ILE 32 3HD1 ILE 32 6.005 -1.921 -1.639 267 H VAL 33 H VAL 33 1.820 -3.022 -1.660 268 HA VAL 33 HA VAL 33 -0.230 -3.241 0.465 269 HB VAL 33 HB VAL 33 -0.870 -1.598 -1.115 270 HG11 VAL 33 1HG1 VAL 33 0.418 -2.188 -3.113 271 HG12 VAL 33 2HG1 VAL 33 -0.581 -3.638 -3.342 272 HG13 VAL 33 3HG1 VAL 33 -1.303 -2.029 -3.485 273 HG21 VAL 33 1HG2 VAL 33 -3.037 -2.409 -1.758 274 HG22 VAL 33 2HG2 VAL 33 -2.483 -4.091 -1.706 275 HG23 VAL 33 3HG2 VAL 33 -2.607 -3.150 -0.206 276 H GLU 34 H GLU 34 -0.559 -5.379 1.161 277 HA GLU 34 HA GLU 34 -0.059 -7.498 -0.873 278 HB2 GLU 34 1HB GLU 34 0.947 -7.508 1.998 279 HB3 GLU 34 2HB GLU 34 1.070 -8.838 0.863 280 HG2 GLU 34 1HG GLU 34 2.545 -7.553 -0.581 281 HG3 GLU 34 2HG GLU 34 2.314 -6.091 0.352 282 H LYS 35 H LYS 35 -1.061 -9.608 -0.290 283 HA LYS 35 HA LYS 35 -3.770 -9.037 0.733 284 HB2 LYS 35 1HB LYS 35 -4.412 -11.174 -0.043 285 HB3 LYS 35 2HB LYS 35 -3.583 -10.350 -1.346 286 HG2 LYS 35 1HG LYS 35 -1.840 -11.911 -1.371 287 HG3 LYS 35 2HG LYS 35 -2.029 -12.353 0.331 288 HD2 LYS 35 1HD LYS 35 -4.034 -13.600 -0.059 289 HD3 LYS 35 2HD LYS 35 -4.208 -12.946 -1.682 290 HE2 LYS 35 1HE LYS 35 -3.543 -15.153 -1.946 291 HE3 LYS 35 2HE LYS 35 -2.144 -14.166 -2.385 292 HZ1 LYS 35 1HZ LYS 35 -1.336 -14.698 -0.049 293 HZ2 LYS 35 2HZ LYS 35 -1.354 -15.952 -1.097 294 HZ3 LYS 35 3HZ LYS 35 -2.552 -15.820 0.014 295 H VAL 36 H VAL 36 -4.834 -10.278 2.330 296 HA VAL 36 HA VAL 36 -3.186 -10.980 4.619 297 HB VAL 36 HB VAL 36 -6.143 -11.251 3.935 298 HG11 VAL 36 1HG1 VAL 36 -6.555 -11.751 6.329 299 HG12 VAL 36 2HG1 VAL 36 -5.705 -13.041 5.496 300 HG13 VAL 36 3HG1 VAL 36 -4.801 -11.948 6.567 301 HG21 VAL 36 1HG2 VAL 36 -4.669 -9.392 5.832 302 HG22 VAL 36 2HG2 VAL 36 -5.394 -8.933 4.281 303 HG23 VAL 36 3HG2 VAL 36 -6.431 -9.450 5.619 304 H SER 37 H SER 37 -2.479 -13.103 5.138 305 HA SER 37 HA SER 37 -2.313 -15.064 3.117 306 HB2 SER 37 1HB SER 37 -2.219 -16.119 5.872 307 HB3 SER 37 2HB SER 37 -0.995 -16.158 4.610 308 HG SER 37 HG SER 37 -0.833 -14.876 6.746 309 H GLY 38 H GLY 38 -3.970 -16.408 2.345 310 HA2 GLY 38 1HA GLY 38 -5.589 -18.070 2.729 311 HA3 GLY 38 2HA GLY 38 -6.097 -17.282 4.227 312 H SER 39 H SER 39 -5.778 -14.645 2.278 313 HA SER 39 HA SER 39 -8.621 -14.462 1.760 314 HB2 SER 39 1HB SER 39 -7.127 -12.523 2.305 315 HB3 SER 39 2HB SER 39 -6.280 -12.768 0.775 316 HG SER 39 HG SER 39 -7.677 -11.347 0.200 317 H GLN 40 H GLN 40 -9.507 -15.688 0.111 318 HA GLN 40 HA GLN 40 -7.822 -16.951 -1.897 319 HB2 GLN 40 1HB GLN 40 -10.850 -16.787 -1.689 320 HB3 GLN 40 2HB GLN 40 -9.952 -17.799 -2.813 321 HG2 GLN 40 1HG GLN 40 -8.853 -18.909 -0.790 322 HG3 GLN 40 2HG GLN 40 -10.059 -18.084 0.213 323 HE21 GLN 40 1HE2 GLN 40 -12.846 -19.887 -1.508 324 HE22 GLN 40 2HE2 GLN 40 -12.437 -18.311 -0.919 325 H ILE 41 H ILE 41 -9.226 -13.835 -1.793 326 HA ILE 41 HA ILE 41 -9.995 -13.467 -4.496 327 HB ILE 41 HB ILE 41 -10.514 -12.086 -2.379 328 HG12 ILE 41 1HG1 ILE 41 -10.515 -9.835 -3.546 329 HG13 ILE 41 2HG1 ILE 41 -9.915 -10.667 -4.977 330 HG21 ILE 41 1HG2 ILE 41 -8.006 -11.784 -1.873 331 HG22 ILE 41 2HG2 ILE 41 -8.014 -10.529 -3.101 332 HG23 ILE 41 3HG2 ILE 41 -9.059 -10.361 -1.675 333 HD11 ILE 41 1HD1 ILE 41 -12.337 -10.558 -5.093 334 HD12 ILE 41 2HD1 ILE 41 -11.916 -12.246 -4.745 335 HD13 ILE 41 3HD1 ILE 41 -12.476 -11.193 -3.435 336 H VAL 42 H VAL 42 -8.895 -11.910 -6.028 337 HA VAL 42 HA VAL 42 -6.400 -12.842 -6.887 338 HB VAL 42 HB VAL 42 -6.359 -10.689 -8.248 339 HG11 VAL 42 1HG1 VAL 42 -8.201 -11.339 -9.721 340 HG12 VAL 42 2HG1 VAL 42 -7.318 -12.773 -9.147 341 HG13 VAL 42 3HG1 VAL 42 -8.898 -12.350 -8.449 342 HG21 VAL 42 1HG2 VAL 42 -8.354 -9.315 -8.395 343 HG22 VAL 42 2HG2 VAL 42 -9.175 -10.260 -7.148 344 HG23 VAL 42 3HG2 VAL 42 -7.766 -9.262 -6.726 345 H ASP 43 H ASP 43 -4.337 -12.512 -6.191 346 HA ASP 43 HA ASP 43 -3.799 -10.522 -4.124 347 HB2 ASP 43 1HB ASP 43 -1.869 -11.852 -3.728 348 HB3 ASP 43 2HB ASP 43 -3.234 -12.943 -3.826 349 H ILE 44 H ILE 44 -1.282 -9.832 -4.412 350 HA ILE 44 HA ILE 44 -0.868 -8.895 -7.183 351 HB ILE 44 HB ILE 44 -1.910 -7.122 -5.916 352 HG12 ILE 44 1HG1 ILE 44 1.027 -6.414 -6.205 353 HG13 ILE 44 2HG1 ILE 44 -0.032 -6.659 -7.580 354 HG21 ILE 44 1HG2 ILE 44 -1.090 -7.872 -3.579 355 HG22 ILE 44 2HG2 ILE 44 0.445 -7.107 -3.989 356 HG23 ILE 44 3HG2 ILE 44 -1.026 -6.134 -3.905 357 HD11 ILE 44 1HD1 ILE 44 -1.499 -4.805 -6.679 358 HD12 ILE 44 2HD1 ILE 44 -0.272 -4.530 -5.418 359 HD13 ILE 44 3HD1 ILE 44 0.156 -4.320 -7.117 360 H ASP 45 H ASP 45 1.264 -8.566 -7.798 361 HA ASP 45 HA ASP 45 3.264 -10.322 -6.548 362 HB2 ASP 45 1HB ASP 45 2.941 -8.863 -9.159 363 HB3 ASP 45 2HB ASP 45 4.579 -9.144 -8.567 364 H LYS 46 H LYS 46 5.518 -9.406 -6.229 365 HA LYS 46 HA LYS 46 5.203 -7.333 -4.195 366 HB2 LYS 46 1HB LYS 46 7.521 -8.918 -5.364 367 HB3 LYS 46 2HB LYS 46 7.774 -7.632 -4.191 368 HG2 LYS 46 1HG LYS 46 7.722 -9.377 -2.785 369 HG3 LYS 46 2HG LYS 46 6.015 -8.967 -2.750 370 HD2 LYS 46 1HD LYS 46 5.483 -10.855 -4.206 371 HD3 LYS 46 2HD LYS 46 7.216 -11.154 -4.521 372 HE2 LYS 46 1HE LYS 46 7.610 -11.604 -2.134 373 HE3 LYS 46 2HE LYS 46 5.930 -11.235 -1.763 374 HZ1 LYS 46 1HZ LYS 46 6.419 -13.608 -1.876 375 HZ2 LYS 46 2HZ LYS 46 6.762 -13.520 -3.470 376 HZ3 LYS 46 3HZ LYS 46 5.239 -13.180 -2.933 377 H ARG 47 H ARG 47 4.719 -5.309 -4.978 378 HA ARG 47 HA ARG 47 6.716 -3.978 -6.644 379 HB2 ARG 47 1HB ARG 47 3.706 -4.050 -7.178 380 HB3 ARG 47 2HB ARG 47 4.792 -2.852 -7.876 381 HG2 ARG 47 1HG ARG 47 4.877 -5.861 -8.388 382 HG3 ARG 47 2HG ARG 47 4.392 -4.570 -9.501 383 HD2 ARG 47 1HD ARG 47 6.634 -3.562 -9.285 384 HD3 ARG 47 2HD ARG 47 7.195 -4.969 -8.408 385 HE ARG 47 HE ARG 47 6.838 -4.743 -11.237 386 HH11 ARG 47 1HH1 ARG 47 6.797 -7.176 -8.613 387 HH12 ARG 47 2HH1 ARG 47 7.022 -8.487 -9.745 388 HH21 ARG 47 1HH2 ARG 47 7.605 -6.365 -12.499 389 HH22 ARG 47 2HH2 ARG 47 7.600 -8.016 -12.021 390 H LYS 48 H LYS 48 6.685 -1.739 -6.416 391 HA LYS 48 HA LYS 48 5.739 -0.786 -3.760 392 HB2 LYS 48 1HB LYS 48 7.767 0.536 -5.600 393 HB3 LYS 48 2HB LYS 48 7.441 0.914 -3.919 394 HG2 LYS 48 1HG LYS 48 8.261 -1.403 -3.326 395 HG3 LYS 48 2HG LYS 48 8.595 -1.682 -5.014 396 HD2 LYS 48 1HD LYS 48 10.653 -1.115 -3.993 397 HD3 LYS 48 2HD LYS 48 10.213 0.201 -5.054 398 HE2 LYS 48 1HE LYS 48 11.165 0.884 -2.842 399 HE3 LYS 48 2HE LYS 48 9.582 1.605 -3.182 400 HZ1 LYS 48 1HZ LYS 48 9.849 0.687 -0.899 401 HZ2 LYS 48 2HZ LYS 48 9.933 -0.821 -1.560 402 HZ3 LYS 48 3HZ LYS 48 8.565 0.120 -1.696 403 H TYR 49 H TYR 49 3.725 0.051 -3.909 404 HA TYR 49 HA TYR 49 2.906 1.507 -6.342 405 HB2 TYR 49 2HB TYR 49 1.543 0.543 -3.807 406 HB3 TYR 49 3HB TYR 49 0.825 1.817 -4.770 407 HD1 TYR 49 1HD TYR 49 2.570 -0.653 -6.864 408 HD2 TYR 49 2HD TYR 49 -1.141 0.247 -4.835 409 HE1 TYR 49 1HE TYR 49 1.361 -2.042 -8.473 410 HE2 TYR 49 2HE TYR 49 -2.358 -1.184 -6.453 411 HH TYR 49 HH TYR 49 -1.436 -3.328 -8.244 412 H LEU 50 H LEU 50 3.391 3.626 -6.553 413 HA LEU 50 HA LEU 50 4.088 5.210 -4.116 414 HB2 LEU 50 1HB LEU 50 4.427 6.037 -7.020 415 HB3 LEU 50 2HB LEU 50 5.075 6.799 -5.584 416 HG LEU 50 HG LEU 50 5.930 4.207 -6.898 417 HD11 LEU 50 1HD1 LEU 50 7.273 6.887 -6.317 418 HD12 LEU 50 2HD1 LEU 50 6.804 6.248 -7.890 419 HD13 LEU 50 3HD1 LEU 50 8.123 5.485 -6.990 420 HD21 LEU 50 1HD2 LEU 50 6.020 3.764 -4.491 421 HD22 LEU 50 2HD2 LEU 50 6.895 5.289 -4.224 422 HD23 LEU 50 3HD2 LEU 50 7.639 3.953 -5.159 423 H VAL 51 H VAL 51 2.376 6.409 -3.279 424 HA VAL 51 HA VAL 51 0.286 7.248 -5.204 425 HB VAL 51 HB VAL 51 -1.209 7.177 -3.344 426 HG11 VAL 51 1HG1 VAL 51 -0.718 5.047 -4.635 427 HG12 VAL 51 2HG1 VAL 51 0.368 4.568 -3.319 428 HG13 VAL 51 3HG1 VAL 51 -1.351 4.816 -2.991 429 HG21 VAL 51 1HG2 VAL 51 -0.541 6.143 -1.158 430 HG22 VAL 51 2HG2 VAL 51 1.153 6.325 -1.639 431 HG23 VAL 51 3HG2 VAL 51 0.121 7.757 -1.427 432 HA PRO 52 HA PRO 52 1.680 11.361 -4.200 433 HB2 PRO 52 2HB PRO 52 -0.381 12.932 -5.046 434 HB3 PRO 52 3HB PRO 52 0.728 12.084 -6.179 435 HG2 PRO 52 2HG PRO 52 -2.019 11.277 -5.286 436 HG3 PRO 52 3HG PRO 52 -1.369 11.221 -6.894 437 HD2 PRO 52 2HD PRO 52 -1.460 8.995 -5.231 438 HD3 PRO 52 3HD PRO 52 -0.152 9.215 -6.431 439 H SER 53 H SER 53 1.562 12.672 -2.391 440 HA SER 53 HA SER 53 0.061 11.796 -0.176 441 HB2 SER 53 1HB SER 53 1.091 13.887 0.843 442 HB3 SER 53 2HB SER 53 2.181 12.667 0.167 443 HG SER 53 HG SER 53 2.810 14.720 -0.456 444 H ASP 54 H ASP 54 -0.956 13.884 -2.698 445 HA ASP 54 HA ASP 54 -2.709 15.546 -1.055 446 HB2 ASP 54 1HB ASP 54 -1.444 16.193 -3.213 447 HB3 ASP 54 2HB ASP 54 -2.768 15.380 -4.060 448 H ILE 55 H ILE 55 -3.176 12.562 -3.069 449 HA ILE 55 HA ILE 55 -6.060 12.943 -3.047 450 HB ILE 55 HB ILE 55 -6.207 10.660 -3.839 451 HG12 ILE 55 1HG1 ILE 55 -3.380 10.097 -4.327 452 HG13 ILE 55 2HG1 ILE 55 -3.682 10.232 -2.616 453 HG21 ILE 55 1HG2 ILE 55 -5.087 10.958 -6.007 454 HG22 ILE 55 2HG2 ILE 55 -5.882 12.435 -5.456 455 HG23 ILE 55 3HG2 ILE 55 -4.123 12.292 -5.336 456 HD11 ILE 55 1HD1 ILE 55 -5.173 8.421 -4.563 457 HD12 ILE 55 2HD1 ILE 55 -3.900 7.930 -3.427 458 HD13 ILE 55 3HD1 ILE 55 -5.450 8.514 -2.805 459 H THR 56 H THR 56 -7.555 11.320 -1.942 460 HA THR 56 HA THR 56 -6.642 10.876 0.830 461 HB THR 56 HB THR 56 -9.123 10.764 1.265 462 HG1 THR 56 1HG THR 56 -10.464 11.606 -0.352 463 HG21 THR 56 1HG2 THR 56 -8.100 13.357 0.034 464 HG22 THR 56 2HG2 THR 56 -7.880 12.812 1.717 465 HG23 THR 56 3HG2 THR 56 -9.489 13.176 1.121 466 H VAL 57 H VAL 57 -7.582 9.029 1.940 467 HA VAL 57 HA VAL 57 -6.836 6.532 0.857 468 HB VAL 57 HB VAL 57 -8.727 7.384 3.040 469 HG11 VAL 57 1HG1 VAL 57 -7.704 4.547 2.677 470 HG12 VAL 57 2HG1 VAL 57 -8.728 5.168 3.998 471 HG13 VAL 57 3HG1 VAL 57 -9.373 5.056 2.366 472 HG21 VAL 57 1HG2 VAL 57 -6.959 6.789 4.593 473 HG22 VAL 57 2HG2 VAL 57 -5.948 6.197 3.261 474 HG23 VAL 57 3HG2 VAL 57 -6.329 7.931 3.405 475 H ALA 58 H ALA 58 -9.999 8.247 0.657 476 HA ALA 58 HA ALA 58 -11.526 6.069 -0.287 477 HB1 ALA 58 1HB ALA 58 -11.825 8.959 -1.232 478 HB2 ALA 58 2HB ALA 58 -13.087 7.720 -1.018 479 HB3 ALA 58 3HB ALA 58 -12.317 8.452 0.381 480 H GLN 59 H GLN 59 -9.552 8.482 -2.113 481 HA GLN 59 HA GLN 59 -10.110 7.379 -4.669 482 HB2 GLN 59 1HB GLN 59 -7.585 8.880 -3.939 483 HB3 GLN 59 2HB GLN 59 -8.381 8.799 -5.504 484 HG2 GLN 59 1HG GLN 59 -9.312 10.292 -3.027 485 HG3 GLN 59 2HG GLN 59 -8.713 10.985 -4.518 486 HE21 GLN 59 1HE2 GLN 59 -11.885 11.057 -6.087 487 HE22 GLN 59 2HE2 GLN 59 -10.170 11.332 -6.225 488 H PHE 60 H PHE 60 -7.333 6.896 -2.412 489 HA PHE 60 HA PHE 60 -5.887 5.166 -4.106 490 HB2 PHE 60 2HB PHE 60 -4.941 6.213 -2.108 491 HB3 PHE 60 3HB PHE 60 -5.943 5.208 -1.086 492 HD1 PHE 60 1HD PHE 60 -3.973 4.408 0.125 493 HD2 PHE 60 2HD PHE 60 -4.283 3.745 -4.139 494 HE1 PHE 60 1HE PHE 60 -2.151 2.777 0.239 495 HE2 PHE 60 2HE PHE 60 -2.450 2.129 -4.017 496 HZ PHE 60 HZ PHE 60 -1.356 1.617 -1.833 497 H MET 61 H MET 61 -8.336 4.336 -1.610 498 HA MET 61 HA MET 61 -8.310 1.549 -1.887 499 HB2 MET 61 1HB MET 61 -9.542 2.712 -0.111 500 HB3 MET 61 2HB MET 61 -10.588 3.498 -1.301 501 HG2 MET 61 1HG MET 61 -11.398 1.232 -2.019 502 HG3 MET 61 2HG MET 61 -10.466 0.527 -0.711 503 HE1 MET 61 1HE MET 61 -13.694 1.717 -1.963 504 HE2 MET 61 2HE MET 61 -13.598 0.090 -1.258 505 HE3 MET 61 3HE MET 61 -14.697 1.308 -0.558 506 H TRP 62 H TRP 62 -10.325 3.966 -3.652 507 HA TRP 62 HA TRP 62 -11.620 2.115 -5.328 508 HB2 TRP 62 2HB TRP 62 -11.169 5.075 -5.369 509 HB3 TRP 62 3HB TRP 62 -11.661 4.294 -6.866 510 HD1 TRP 62 HD1 TRP 62 -12.932 4.599 -3.222 511 HE1 TRP 62 1HE TRP 62 -15.465 4.470 -3.222 512 HE3 TRP 62 3HE TRP 62 -13.639 3.635 -8.181 513 HZ2 TRP 62 2HZ TRP 62 -17.584 3.871 -5.149 514 HZ3 TRP 62 3HZ TRP 62 -15.923 3.323 -9.084 515 HH2 TRP 62 HH2 TRP 62 -17.896 3.435 -7.583 516 H ILE 63 H ILE 63 -8.432 3.756 -5.751 517 HA ILE 63 HA ILE 63 -8.120 2.733 -8.418 518 HB ILE 63 HB ILE 63 -6.006 3.658 -6.453 519 HG12 ILE 63 1HG1 ILE 63 -6.912 5.288 -8.845 520 HG13 ILE 63 2HG1 ILE 63 -7.963 5.286 -7.454 521 HG21 ILE 63 1HG2 ILE 63 -5.909 3.161 -9.471 522 HG22 ILE 63 2HG2 ILE 63 -4.660 4.031 -8.566 523 HG23 ILE 63 3HG2 ILE 63 -4.974 2.323 -8.215 524 HD11 ILE 63 1HD1 ILE 63 -6.034 5.972 -6.002 525 HD12 ILE 63 2HD1 ILE 63 -5.041 6.101 -7.452 526 HD13 ILE 63 3HD1 ILE 63 -6.471 7.149 -7.224 527 H ILE 64 H ILE 64 -7.077 1.416 -5.179 528 HA ILE 64 HA ILE 64 -5.685 -0.826 -6.242 529 HB ILE 64 HB ILE 64 -7.235 -0.565 -3.628 530 HG12 ILE 64 1HG1 ILE 64 -4.205 -0.428 -3.947 531 HG13 ILE 64 2HG1 ILE 64 -5.200 1.013 -4.092 532 HG21 ILE 64 1HG2 ILE 64 -5.811 -2.468 -2.805 533 HG22 ILE 64 2HG2 ILE 64 -6.880 -2.958 -4.103 534 HG23 ILE 64 3HG2 ILE 64 -5.163 -2.663 -4.444 535 HD11 ILE 64 1HD1 ILE 64 -6.163 0.595 -1.822 536 HD12 ILE 64 2HD1 ILE 64 -5.035 -0.770 -1.630 537 HD13 ILE 64 3HD1 ILE 64 -4.420 0.863 -1.806 538 H ARG 65 H ARG 65 -9.134 -0.656 -5.136 539 HA ARG 65 HA ARG 65 -9.733 -3.311 -5.984 540 HB2 ARG 65 1HB ARG 65 -12.095 -2.721 -5.713 541 HB3 ARG 65 2HB ARG 65 -11.098 -2.147 -4.378 542 HG2 ARG 65 1HG ARG 65 -12.178 -0.169 -4.615 543 HG3 ARG 65 2HG ARG 65 -11.024 0.029 -5.911 544 HD2 ARG 65 1HD ARG 65 -13.182 0.743 -6.627 545 HD3 ARG 65 2HD ARG 65 -12.561 -0.582 -7.606 546 HE ARG 65 HE ARG 65 -14.042 -2.012 -5.969 547 HH11 ARG 65 1HH1 ARG 65 -14.950 1.088 -7.534 548 HH12 ARG 65 2HH1 ARG 65 -16.506 0.497 -7.993 549 HH21 ARG 65 1HH2 ARG 65 -16.096 -2.735 -6.616 550 HH22 ARG 65 2HH2 ARG 65 -17.117 -1.708 -7.522 551 H LYS 66 H LYS 66 -9.815 -0.236 -7.807 552 HA LYS 66 HA LYS 66 -11.154 -1.299 -10.061 553 HB2 LYS 66 1HB LYS 66 -9.357 1.101 -9.603 554 HB3 LYS 66 2HB LYS 66 -9.833 0.699 -11.218 555 HG2 LYS 66 1HG LYS 66 -12.100 0.825 -9.280 556 HG3 LYS 66 2HG LYS 66 -11.240 2.334 -9.586 557 HD2 LYS 66 1HD LYS 66 -11.590 2.073 -12.021 558 HD3 LYS 66 2HD LYS 66 -12.530 0.591 -11.731 559 HE2 LYS 66 1HE LYS 66 -14.228 1.796 -10.532 560 HE3 LYS 66 2HE LYS 66 -13.164 3.191 -10.293 561 HZ1 LYS 66 1HZ LYS 66 -14.467 2.460 -12.845 562 HZ2 LYS 66 2HZ LYS 66 -13.330 3.653 -12.660 563 HZ3 LYS 66 3HZ LYS 66 -14.697 3.778 -11.861 564 H ARG 67 H ARG 67 -7.731 -0.949 -9.224 565 HA ARG 67 HA ARG 67 -6.540 -1.779 -11.655 566 HB2 ARG 67 1HB ARG 67 -5.687 -1.604 -8.763 567 HB3 ARG 67 2HB ARG 67 -4.646 -2.429 -9.874 568 HG2 ARG 67 1HG ARG 67 -5.566 0.295 -10.726 569 HG3 ARG 67 2HG ARG 67 -4.452 0.185 -9.371 570 HD2 ARG 67 1HD ARG 67 -3.127 0.460 -11.329 571 HD3 ARG 67 2HD ARG 67 -2.869 -1.162 -10.722 572 HE ARG 67 HE ARG 67 -4.596 -0.414 -13.072 573 HH11 ARG 67 1HH1 ARG 67 -3.008 -3.090 -11.372 574 HH12 ARG 67 2HH1 ARG 67 -2.768 -4.032 -12.772 575 HH21 ARG 67 1HH2 ARG 67 -4.214 -1.641 -14.956 576 HH22 ARG 67 2HH2 ARG 67 -3.749 -3.317 -14.799 577 H ILE 68 H ILE 68 -7.243 -3.681 -8.660 578 HA ILE 68 HA ILE 68 -6.542 -6.134 -10.051 579 HB ILE 68 HB ILE 68 -7.009 -7.278 -8.032 580 HG12 ILE 68 1HG1 ILE 68 -8.537 -4.813 -7.176 581 HG13 ILE 68 2HG1 ILE 68 -9.106 -6.478 -7.325 582 HG21 ILE 68 1HG2 ILE 68 -5.742 -4.636 -7.226 583 HG22 ILE 68 2HG2 ILE 68 -5.445 -6.248 -6.541 584 HG23 ILE 68 3HG2 ILE 68 -4.936 -5.892 -8.186 585 HD11 ILE 68 1HD1 ILE 68 -7.194 -5.431 -5.193 586 HD12 ILE 68 2HD1 ILE 68 -8.887 -5.853 -4.981 587 HD13 ILE 68 3HD1 ILE 68 -7.711 -7.128 -5.373 588 H GLN 69 H GLN 69 -9.251 -4.230 -10.321 589 HA GLN 69 HA GLN 69 -11.364 -4.456 -11.007 590 HB2 GLN 69 1HB GLN 69 -10.187 -6.855 -12.457 591 HB3 GLN 69 2HB GLN 69 -11.749 -6.110 -12.810 592 HG2 GLN 69 1HG GLN 69 -10.657 -3.999 -13.431 593 HG3 GLN 69 2HG GLN 69 -9.069 -4.658 -12.982 594 HE21 GLN 69 1HE2 GLN 69 -8.524 -5.755 -16.221 595 HE22 GLN 69 2HE2 GLN 69 -8.138 -4.524 -15.050 596 H LEU 70 H LEU 70 -11.552 -4.951 -8.633 597 HA LEU 70 HA LEU 70 -12.116 -7.556 -7.711 598 HB2 LEU 70 1HB LEU 70 -11.574 -5.431 -6.431 599 HB3 LEU 70 2HB LEU 70 -13.263 -4.986 -6.569 600 HG LEU 70 HG LEU 70 -12.902 -5.883 -4.423 601 HD11 LEU 70 1HD1 LEU 70 -15.013 -6.686 -5.315 602 HD12 LEU 70 2HD1 LEU 70 -14.298 -7.780 -4.145 603 HD13 LEU 70 3HD1 LEU 70 -14.226 -8.190 -5.848 604 HD21 LEU 70 1HD2 LEU 70 -10.776 -7.054 -4.855 605 HD22 LEU 70 2HD2 LEU 70 -11.659 -8.374 -5.641 606 HD23 LEU 70 3HD2 LEU 70 -11.906 -8.031 -3.914 607 HA PRO 71 HA PRO 71 -16.045 -7.984 -9.978 608 HB2 PRO 71 2HB PRO 71 -16.749 -10.490 -8.989 609 HB3 PRO 71 3HB PRO 71 -15.573 -10.195 -10.308 610 HG2 PRO 71 2HG PRO 71 -15.052 -10.660 -7.364 611 HG3 PRO 71 3HG PRO 71 -14.221 -11.401 -8.767 612 HD2 PRO 71 2HD PRO 71 -13.172 -9.318 -7.427 613 HD3 PRO 71 3HD PRO 71 -13.000 -9.394 -9.193 614 H SER 72 H SER 72 -18.405 -8.422 -9.481 615 HA SER 72 HA SER 72 -19.230 -6.856 -7.206 616 HB2 SER 72 1HB SER 72 -20.761 -8.559 -9.204 617 HB3 SER 72 2HB SER 72 -21.509 -7.480 -8.014 618 HG SER 72 HG SER 72 -20.738 -6.831 -10.393 619 H GLU 73 H GLU 73 -18.854 -10.329 -7.853 620 HA GLU 73 HA GLU 73 -20.538 -11.272 -5.776 621 HB2 GLU 73 1HB GLU 73 -19.163 -13.347 -5.853 622 HB3 GLU 73 2HB GLU 73 -19.883 -12.877 -7.372 623 HG2 GLU 73 1HG GLU 73 -17.872 -12.386 -8.381 624 HG3 GLU 73 2HG GLU 73 -17.051 -12.002 -6.878 625 H LYS 74 H LYS 74 -17.139 -10.193 -5.644 626 HA LYS 74 HA LYS 74 -17.142 -10.796 -2.749 627 HB2 LYS 74 1HB LYS 74 -14.683 -10.251 -4.437 628 HB3 LYS 74 2HB LYS 74 -14.739 -10.759 -2.758 629 HG2 LYS 74 1HG LYS 74 -15.734 -12.407 -5.127 630 HG3 LYS 74 2HG LYS 74 -14.200 -12.622 -4.339 631 HD2 LYS 74 1HD LYS 74 -16.879 -13.008 -2.939 632 HD3 LYS 74 2HD LYS 74 -15.952 -14.266 -3.703 633 HE2 LYS 74 1HE LYS 74 -14.962 -14.594 -1.712 634 HE3 LYS 74 2HE LYS 74 -13.989 -13.190 -2.127 635 HZ1 LYS 74 1HZ LYS 74 -16.229 -12.139 -0.907 636 HZ2 LYS 74 2HZ LYS 74 -14.755 -12.385 -0.206 637 HZ3 LYS 74 3HZ LYS 74 -15.926 -13.500 -0.063 638 H ALA 75 H ALA 75 -15.846 -9.289 -1.395 639 HA ALA 75 HA ALA 75 -16.544 -6.458 -1.982 640 HB1 ALA 75 1HB ALA 75 -17.864 -7.382 -0.143 641 HB2 ALA 75 2HB ALA 75 -16.395 -8.012 0.639 642 HB3 ALA 75 3HB ALA 75 -16.666 -6.260 0.517 643 H ILE 76 H ILE 76 -14.896 -5.101 -0.344 644 HA ILE 76 HA ILE 76 -12.220 -6.259 -0.357 645 HB ILE 76 HB ILE 76 -12.399 -5.206 -2.536 646 HG12 ILE 76 1HG1 ILE 76 -10.616 -3.413 -2.261 647 HG13 ILE 76 2HG1 ILE 76 -10.594 -3.778 -0.555 648 HG21 ILE 76 1HG2 ILE 76 -13.028 -2.572 -1.152 649 HG22 ILE 76 2HG2 ILE 76 -12.790 -2.833 -2.889 650 HG23 ILE 76 3HG2 ILE 76 -14.181 -3.548 -2.087 651 HD11 ILE 76 1HD1 ILE 76 -9.962 -6.127 -1.107 652 HD12 ILE 76 2HD1 ILE 76 -10.061 -5.727 -2.843 653 HD13 ILE 76 3HD1 ILE 76 -8.838 -4.952 -1.829 654 H PHE 77 H PHE 77 -10.994 -5.451 1.292 655 HA PHE 77 HA PHE 77 -11.894 -3.131 2.856 656 HB2 PHE 77 2HB PHE 77 -11.500 -5.865 4.117 657 HB3 PHE 77 3HB PHE 77 -11.776 -4.363 4.975 658 HD1 PHE 77 1HD PHE 77 -13.363 -7.003 2.926 659 HD2 PHE 77 2HD PHE 77 -13.998 -3.276 4.998 660 HE1 PHE 77 1HE PHE 77 -15.813 -7.309 2.738 661 HE2 PHE 77 2HE PHE 77 -16.449 -3.581 4.782 662 HZ PHE 77 HZ PHE 77 -17.362 -5.570 3.630 663 H LEU 78 H LEU 78 -10.173 -2.128 3.831 664 HA LEU 78 HA LEU 78 -7.433 -3.155 3.257 665 HB2 LEU 78 1HB LEU 78 -8.606 -0.344 3.362 666 HB3 LEU 78 2HB LEU 78 -6.871 -0.640 3.394 667 HG LEU 78 HG LEU 78 -8.576 -1.721 1.129 668 HD11 LEU 78 1HD1 LEU 78 -7.876 0.359 -0.105 669 HD12 LEU 78 2HD1 LEU 78 -7.284 1.017 1.432 670 HD13 LEU 78 3HD1 LEU 78 -9.009 0.671 1.226 671 HD21 LEU 78 1HD2 LEU 78 -6.147 -2.493 1.533 672 HD22 LEU 78 2HD2 LEU 78 -5.668 -0.845 1.104 673 HD23 LEU 78 3HD2 LEU 78 -6.526 -1.853 -0.076 674 H PHE 79 H PHE 79 -5.852 -2.773 4.892 675 HA PHE 79 HA PHE 79 -6.736 -1.687 7.490 676 HB2 PHE 79 2HB PHE 79 -5.364 -4.382 7.187 677 HB3 PHE 79 3HB PHE 79 -5.946 -3.637 8.669 678 HD1 PHE 79 1HD PHE 79 -6.935 -5.391 5.545 679 HD2 PHE 79 2HD PHE 79 -8.333 -3.735 9.267 680 HE1 PHE 79 1HE PHE 79 -9.119 -6.505 5.218 681 HE2 PHE 79 2HE PHE 79 -10.511 -4.915 8.960 682 HZ PHE 79 HZ PHE 79 -10.907 -6.290 6.940 683 H VAL 80 H VAL 80 -5.056 -0.503 8.436 684 HA VAL 80 HA VAL 80 -2.280 -0.837 7.405 685 HB VAL 80 HB VAL 80 -3.447 1.843 8.172 686 HG11 VAL 80 1HG1 VAL 80 -1.504 2.711 7.060 687 HG12 VAL 80 2HG1 VAL 80 -0.953 1.438 8.142 688 HG13 VAL 80 3HG1 VAL 80 -1.065 1.105 6.411 689 HG21 VAL 80 1HG2 VAL 80 -3.625 2.447 5.805 690 HG22 VAL 80 2HG2 VAL 80 -3.296 0.760 5.350 691 HG23 VAL 80 3HG2 VAL 80 -4.778 1.178 6.239 692 H ASP 81 H ASP 81 -1.039 -1.450 9.202 693 HA ASP 81 HA ASP 81 -0.687 -2.160 11.340 694 HB2 ASP 81 1HB ASP 81 0.415 -0.110 11.397 695 HB3 ASP 81 2HB ASP 81 -1.094 0.785 11.629 696 H LYS 82 H LYS 82 -3.045 -3.034 10.651 697 HA LYS 82 HA LYS 82 -4.982 -3.872 11.380 698 HB2 LYS 82 1HB LYS 82 -3.544 -3.536 14.004 699 HB3 LYS 82 2HB LYS 82 -5.026 -4.486 13.857 700 HG2 LYS 82 1HG LYS 82 -3.977 -6.130 12.535 701 HG3 LYS 82 2HG LYS 82 -2.630 -5.066 12.097 702 HD2 LYS 82 1HD LYS 82 -1.737 -6.657 13.561 703 HD3 LYS 82 2HD LYS 82 -1.823 -5.133 14.456 704 HE2 LYS 82 1HE LYS 82 -3.954 -5.946 15.528 705 HE3 LYS 82 2HE LYS 82 -3.804 -7.460 14.627 706 HZ1 LYS 82 1HZ LYS 82 -1.708 -7.839 15.767 707 HZ2 LYS 82 2HZ LYS 82 -2.943 -7.719 16.823 708 HZ3 LYS 82 3HZ LYS 82 -1.882 -6.452 16.644 709 H THR 83 H THR 83 -4.936 -0.902 11.018 710 HA THR 83 HA THR 83 -7.290 -0.191 12.704 711 HB THR 83 HB THR 83 -6.730 2.094 12.441 712 HG1 THR 83 1HG THR 83 -4.512 1.317 10.851 713 HG21 THR 83 1HG2 THR 83 -5.380 0.873 14.223 714 HG22 THR 83 2HG2 THR 83 -4.740 2.427 13.663 715 HG23 THR 83 3HG2 THR 83 -4.015 0.926 13.087 716 H VAL 84 H VAL 84 -8.901 1.167 11.484 717 HA VAL 84 HA VAL 84 -9.221 0.113 8.748 718 HB VAL 84 HB VAL 84 -11.106 -0.385 9.907 719 HG11 VAL 84 1HG1 VAL 84 -10.901 0.712 11.999 720 HG12 VAL 84 2HG1 VAL 84 -11.066 2.320 11.273 721 HG13 VAL 84 3HG1 VAL 84 -12.447 1.203 11.312 722 HG21 VAL 84 1HG2 VAL 84 -11.859 2.290 8.673 723 HG22 VAL 84 2HG2 VAL 84 -11.501 0.817 7.744 724 HG23 VAL 84 3HG2 VAL 84 -12.867 0.845 8.858 725 HA PRO 85 HA PRO 85 -7.485 4.139 7.827 726 HB2 PRO 85 2HB PRO 85 -7.249 3.958 5.104 727 HB3 PRO 85 3HB PRO 85 -6.129 3.204 6.256 728 HG2 PRO 85 2HG PRO 85 -8.486 1.917 4.857 729 HG3 PRO 85 3HG PRO 85 -6.823 1.270 5.040 730 HD2 PRO 85 2HD PRO 85 -8.857 0.527 6.687 731 HD3 PRO 85 3HD PRO 85 -7.181 0.718 7.298 732 H GLN 86 H GLN 86 -8.558 5.962 7.817 733 HA GLN 86 HA GLN 86 -11.380 6.021 7.228 734 HB2 GLN 86 1HB GLN 86 -10.334 7.126 9.133 735 HB3 GLN 86 2HB GLN 86 -9.388 8.184 8.076 736 HG2 GLN 86 1HG GLN 86 -11.368 9.343 7.336 737 HG3 GLN 86 2HG GLN 86 -12.416 8.067 7.989 738 HE21 GLN 86 1HE2 GLN 86 -11.259 11.027 10.476 739 HE22 GLN 86 2HE2 GLN 86 -11.014 11.126 8.720 740 H SER 87 H SER 87 -12.167 6.269 5.230 741 HA SER 87 HA SER 87 -10.786 6.771 2.926 742 HB2 SER 87 1HB SER 87 -12.903 7.007 1.840 743 HB3 SER 87 2HB SER 87 -12.995 5.782 3.095 744 HG SER 87 HG SER 87 -14.781 6.943 3.369 745 H SER 88 H SER 88 -12.112 9.379 5.056 746 HA SER 88 HA SER 88 -11.631 11.388 3.014 747 HB2 SER 88 1HB SER 88 -12.364 11.539 5.962 748 HB3 SER 88 2HB SER 88 -12.423 12.894 4.821 749 HG SER 88 HG SER 88 -14.394 11.434 5.264 750 H LEU 89 H LEU 89 -9.452 9.768 5.188 751 HA LEU 89 HA LEU 89 -7.923 12.123 5.826 752 HB2 LEU 89 1HB LEU 89 -8.082 9.928 7.169 753 HB3 LEU 89 2HB LEU 89 -7.061 9.207 5.922 754 HG LEU 89 HG LEU 89 -5.270 10.888 6.420 755 HD11 LEU 89 1HD1 LEU 89 -6.656 12.738 7.361 756 HD12 LEU 89 2HD1 LEU 89 -5.413 12.250 8.491 757 HD13 LEU 89 3HD1 LEU 89 -7.090 11.718 8.737 758 HD21 LEU 89 1HD2 LEU 89 -4.509 9.839 8.450 759 HD22 LEU 89 2HD2 LEU 89 -5.418 8.638 7.543 760 HD23 LEU 89 3HD2 LEU 89 -6.182 9.410 8.926 761 H THR 90 H THR 90 -5.906 12.789 4.875 762 HA THR 90 HA THR 90 -5.644 12.110 2.053 763 HB THR 90 HB THR 90 -3.697 13.868 2.396 764 HG1 THR 90 1HG THR 90 -3.835 15.063 4.101 765 HG21 THR 90 1HG2 THR 90 -6.638 14.671 2.448 766 HG22 THR 90 2HG2 THR 90 -5.714 14.187 1.010 767 HG23 THR 90 3HG2 THR 90 -5.270 15.653 1.876 768 H MET 91 H MET 91 -3.807 11.329 1.073 769 HA MET 91 HA MET 91 -2.570 9.174 2.261 770 HB2 MET 91 1HB MET 91 -1.990 10.929 -0.135 771 HB3 MET 91 2HB MET 91 -0.811 9.688 0.273 772 HG2 MET 91 1HG MET 91 -3.744 9.280 -0.420 773 HG3 MET 91 2HG MET 91 -2.347 8.878 -1.407 774 HE1 MET 91 1HE MET 91 -5.037 7.382 0.205 775 HE2 MET 91 2HE MET 91 -4.494 6.238 1.456 776 HE3 MET 91 3HE MET 91 -4.437 7.988 1.763 777 H GLY 92 H GLY 92 -1.263 12.517 1.937 778 HA2 GLY 92 1HA GLY 92 1.302 11.963 3.052 779 HA3 GLY 92 2HA GLY 92 0.532 13.542 2.941 780 H GLN 93 H GLN 93 -1.793 12.883 4.629 781 HA GLN 93 HA GLN 93 -0.633 13.451 7.212 782 HB2 GLN 93 1HB GLN 93 -3.358 13.149 6.060 783 HB3 GLN 93 2HB GLN 93 -3.233 12.537 7.706 784 HG2 GLN 93 1HG GLN 93 -2.249 14.655 8.472 785 HG3 GLN 93 2HG GLN 93 -2.406 15.326 6.852 786 HE21 GLN 93 1HE2 GLN 93 -6.132 15.290 7.069 787 HE22 GLN 93 2HE2 GLN 93 -4.908 14.740 5.982 788 H LEU 94 H LEU 94 -2.326 10.656 5.837 789 HA LEU 94 HA LEU 94 -2.090 8.869 8.006 790 HB2 LEU 94 1HB LEU 94 -3.618 8.634 6.211 791 HB3 LEU 94 2HB LEU 94 -2.393 8.514 4.987 792 HG LEU 94 HG LEU 94 -2.736 6.485 7.267 793 HD11 LEU 94 1HD1 LEU 94 -4.065 5.119 5.750 794 HD12 LEU 94 2HD1 LEU 94 -3.886 6.318 4.443 795 HD13 LEU 94 3HD1 LEU 94 -4.827 6.698 5.902 796 HD21 LEU 94 1HD2 LEU 94 -1.681 4.910 5.686 797 HD22 LEU 94 2HD2 LEU 94 -0.590 6.203 6.114 798 HD23 LEU 94 3HD2 LEU 94 -1.406 6.238 4.527 799 H TYR 95 H TYR 95 0.091 9.464 5.277 800 HA TYR 95 HA TYR 95 2.090 7.529 5.793 801 HB2 TYR 95 2HB TYR 95 2.050 8.677 3.681 802 HB3 TYR 95 3HB TYR 95 2.116 10.246 4.436 803 HD1 TYR 95 1HD TYR 95 4.098 7.134 3.893 804 HD2 TYR 95 2HD TYR 95 4.210 11.327 4.857 805 HE1 TYR 95 1HE TYR 95 6.536 7.113 3.636 806 HE2 TYR 95 2HE TYR 95 6.671 11.310 4.674 807 HH TYR 95 HH TYR 95 8.603 9.943 4.371 808 H GLU 96 H GLU 96 2.062 11.073 6.706 809 HA GLU 96 HA GLU 96 4.424 10.959 8.241 810 HB2 GLU 96 1HB GLU 96 2.015 12.770 8.172 811 HB3 GLU 96 2HB GLU 96 3.202 12.992 9.449 812 HG2 GLU 96 1HG GLU 96 4.457 12.725 6.779 813 HG3 GLU 96 2HG GLU 96 3.334 14.080 6.891 814 H LYS 97 H LYS 97 1.037 10.391 9.355 815 HA LYS 97 HA LYS 97 2.030 10.078 12.090 816 HB2 LYS 97 1HB LYS 97 -0.151 9.961 12.823 817 HB3 LYS 97 2HB LYS 97 -0.161 11.118 11.508 818 HG2 LYS 97 1HG LYS 97 -2.035 9.939 10.913 819 HG3 LYS 97 2HG LYS 97 -0.826 8.989 10.068 820 HD2 LYS 97 1HD LYS 97 -2.193 7.417 11.144 821 HD3 LYS 97 2HD LYS 97 -0.774 7.482 12.179 822 HE2 LYS 97 1HE LYS 97 -2.005 8.996 13.724 823 HE3 LYS 97 2HE LYS 97 -3.419 8.880 12.642 824 HZ1 LYS 97 1HZ LYS 97 -3.252 6.401 13.022 825 HZ2 LYS 97 2HZ LYS 97 -3.759 7.293 14.286 826 HZ3 LYS 97 3HZ LYS 97 -2.216 6.693 14.240 827 H GLU 98 H GLU 98 1.262 7.790 9.404 828 HA GLU 98 HA GLU 98 1.579 5.577 11.382 829 HB2 GLU 98 1HB GLU 98 0.813 5.543 8.437 830 HB3 GLU 98 2HB GLU 98 0.938 4.155 9.492 831 HG2 GLU 98 1HG GLU 98 -0.724 5.601 11.021 832 HG3 GLU 98 2HG GLU 98 -1.157 6.298 9.444 833 H LYS 99 H LYS 99 3.570 7.321 9.313 834 HA LYS 99 HA LYS 99 5.260 5.982 7.907 835 HB2 LYS 99 1HB LYS 99 5.345 8.386 9.323 836 HB3 LYS 99 2HB LYS 99 6.771 7.566 9.893 837 HG2 LYS 99 1HG LYS 99 7.256 7.152 7.333 838 HG3 LYS 99 2HG LYS 99 6.085 8.454 7.093 839 HD2 LYS 99 1HD LYS 99 8.718 8.534 8.607 840 HD3 LYS 99 2HD LYS 99 8.285 9.442 7.153 841 HE2 LYS 99 1HE LYS 99 6.637 10.772 8.458 842 HE3 LYS 99 2HE LYS 99 6.991 9.800 9.897 843 HZ1 LYS 99 1HZ LYS 99 8.184 11.770 10.078 844 HZ2 LYS 99 2HZ LYS 99 8.803 11.677 8.559 845 HZ3 LYS 99 3HZ LYS 99 9.296 10.633 9.760 846 H ASP 100 H ASP 100 6.304 4.090 7.941 847 HA ASP 100 HA ASP 100 7.080 2.825 10.433 848 HB2 ASP 100 1HB ASP 100 7.347 2.175 7.478 849 HB3 ASP 100 2HB ASP 100 8.320 1.293 8.640 850 H GLU 101 H GLU 101 9.390 2.026 10.621 851 HA GLU 101 HA GLU 101 11.206 4.078 11.019 852 HB2 GLU 101 1HB GLU 101 12.809 2.267 11.386 853 HB3 GLU 101 2HB GLU 101 11.224 1.823 12.045 854 HG2 GLU 101 1HG GLU 101 10.798 0.554 9.828 855 HG3 GLU 101 2HG GLU 101 12.482 0.869 9.441 856 H ASP 102 H ASP 102 10.644 2.229 8.074 857 HA ASP 102 HA ASP 102 13.021 3.410 6.767 858 HB2 ASP 102 1HB ASP 102 11.276 1.223 5.675 859 HB3 ASP 102 2HB ASP 102 12.795 1.844 5.029 860 H GLY 103 H GLY 103 10.290 4.833 7.335 861 HA2 GLY 103 1HA GLY 103 9.143 6.510 6.271 862 HA3 GLY 103 2HA GLY 103 10.421 6.543 5.060 863 H PHE 104 H PHE 104 8.294 3.718 5.678 864 HA PHE 104 HA PHE 104 6.936 4.216 3.091 865 HB2 PHE 104 2HB PHE 104 7.407 2.128 2.241 866 HB3 PHE 104 3HB PHE 104 8.927 2.493 3.049 867 HD1 PHE 104 1HD PHE 104 6.183 0.163 2.747 868 HD2 PHE 104 2HD PHE 104 9.180 1.555 5.508 869 HE1 PHE 104 1HE PHE 104 5.864 -1.872 4.115 870 HE2 PHE 104 2HE PHE 104 8.898 -0.513 6.856 871 HZ PHE 104 HZ PHE 104 7.205 -2.191 6.198 872 H LEU 105 H LEU 105 5.063 2.477 2.907 873 HA LEU 105 HA LEU 105 3.720 2.300 5.560 874 HB2 LEU 105 1HB LEU 105 2.831 4.202 4.010 875 HB3 LEU 105 2HB LEU 105 2.239 2.890 2.997 876 HG LEU 105 HG LEU 105 1.208 2.053 5.365 877 HD11 LEU 105 1HD1 LEU 105 2.175 3.822 6.718 878 HD12 LEU 105 2HD1 LEU 105 0.428 3.930 6.713 879 HD13 LEU 105 3HD1 LEU 105 1.386 5.063 5.722 880 HD21 LEU 105 1HD2 LEU 105 -0.031 2.558 3.276 881 HD22 LEU 105 2HD2 LEU 105 -0.081 4.263 3.797 882 HD23 LEU 105 3HD2 LEU 105 -0.868 2.995 4.771 883 H TYR 106 H TYR 106 2.550 0.370 5.923 884 HA TYR 106 HA TYR 106 2.557 -1.647 3.729 885 HB2 TYR 106 2HB TYR 106 2.874 -3.387 5.280 886 HB3 TYR 106 3HB TYR 106 4.144 -2.223 5.551 887 HD1 TYR 106 1HD TYR 106 4.249 -0.922 7.622 888 HD2 TYR 106 2HD TYR 106 1.135 -3.772 6.940 889 HE1 TYR 106 1HE TYR 106 3.672 -0.836 10.032 890 HE2 TYR 106 2HE TYR 106 0.570 -3.763 9.375 891 HH TYR 106 HH TYR 106 2.562 -2.022 11.736 892 H VAL 107 H VAL 107 0.536 -2.006 2.978 893 HA VAL 107 HA VAL 107 -1.728 -1.802 4.908 894 HB VAL 107 HB VAL 107 -1.819 0.197 3.708 895 HG11 VAL 107 1HG1 VAL 107 -1.942 0.388 1.265 896 HG12 VAL 107 2HG1 VAL 107 -0.407 -0.347 1.754 897 HG13 VAL 107 3HG1 VAL 107 -1.700 -1.364 1.100 898 HG21 VAL 107 1HG2 VAL 107 -3.995 -0.974 4.017 899 HG22 VAL 107 2HG2 VAL 107 -3.979 0.079 2.596 900 HG23 VAL 107 3HG2 VAL 107 -3.832 -1.684 2.405 901 H ALA 108 H ALA 108 -3.079 -3.494 4.944 902 HA ALA 108 HA ALA 108 -2.524 -5.724 3.072 903 HB1 ALA 108 1HB ALA 108 -2.090 -6.225 5.418 904 HB2 ALA 108 2HB ALA 108 -3.731 -5.691 5.862 905 HB3 ALA 108 3HB ALA 108 -3.494 -7.133 4.836 906 H TYR 109 H TYR 109 -4.266 -6.851 2.184 907 HA TYR 109 HA TYR 109 -6.937 -5.640 2.628 908 HB2 TYR 109 2HB TYR 109 -7.443 -5.389 0.315 909 HB3 TYR 109 3HB TYR 109 -5.963 -4.503 0.649 910 HD1 TYR 109 1HD TYR 109 -7.487 -7.147 -1.359 911 HD2 TYR 109 2HD TYR 109 -3.734 -5.472 -0.046 912 HE1 TYR 109 1HE TYR 109 -6.330 -8.203 -3.299 913 HE2 TYR 109 2HE TYR 109 -2.582 -6.507 -1.954 914 HH TYR 109 HH TYR 109 -2.884 -7.605 -3.994 915 H SER 110 H SER 110 -8.708 -6.864 2.026 916 HA SER 110 HA SER 110 -8.406 -9.593 1.119 917 HB2 SER 110 1HB SER 110 -9.676 -10.426 3.232 918 HB3 SER 110 2HB SER 110 -7.928 -10.302 3.215 919 HG SER 110 HG SER 110 -8.946 -9.489 5.116 920 H GLY 111 H GLY 111 -10.664 -10.650 1.134 921 HA2 GLY 111 1HA GLY 111 -12.635 -8.597 0.261 922 HA3 GLY 111 2HA GLY 111 -12.403 -10.130 -0.573 923 H GLU 112 H GLU 112 -12.337 -9.921 2.960 924 HA GLU 112 HA GLU 112 -15.071 -11.033 3.172 925 HB2 GLU 112 1HB GLU 112 -14.244 -12.706 4.787 926 HB3 GLU 112 2HB GLU 112 -13.618 -12.945 3.161 927 HG2 GLU 112 1HG GLU 112 -11.466 -11.792 3.903 928 HG3 GLU 112 2HG GLU 112 -12.100 -11.817 5.557 929 H ASN 113 H ASN 113 -16.200 -9.705 4.479 930 HA ASN 113 HA ASN 113 -15.022 -7.584 5.958 931 HB2 ASN 113 1HB ASN 113 -17.311 -7.523 5.133 932 HB3 ASN 113 2HB ASN 113 -17.769 -8.839 6.217 933 HD21 ASN 113 1HD2 ASN 113 -18.622 -6.562 8.773 934 HD22 ASN 113 2HD2 ASN 113 -18.800 -8.154 8.080 935 H THR 114 H THR 114 -15.315 -10.948 6.962 936 HA THR 114 HA THR 114 -14.534 -10.126 9.708 937 HB THR 114 HB THR 114 -16.247 -12.497 9.032 938 HG1 THR 114 1HG THR 114 -17.475 -10.347 10.309 939 HG21 THR 114 1HG2 THR 114 -16.902 -12.421 11.416 940 HG22 THR 114 2HG2 THR 114 -15.761 -11.087 11.681 941 HG23 THR 114 3HG2 THR 114 -15.179 -12.698 11.184 942 H PHE 115 H PHE 115 -12.926 -11.261 10.505 943 HA PHE 115 HA PHE 115 -11.315 -13.030 8.761 944 HB2 PHE 115 2HB PHE 115 -10.854 -12.008 11.601 945 HB3 PHE 115 3HB PHE 115 -9.818 -13.169 10.824 946 HD1 PHE 115 1HD PHE 115 -10.837 -9.621 10.876 947 HD2 PHE 115 2HD PHE 115 -8.177 -12.560 9.168 948 HE1 PHE 115 1HE PHE 115 -9.419 -7.810 9.979 949 HE2 PHE 115 2HE PHE 115 -6.697 -10.727 8.357 950 HZ PHE 115 HZ PHE 115 -7.343 -8.359 8.714 951 H GLY 116 H GLY 116 -13.192 -14.607 8.653 952 HA2 GLY 116 1HA GLY 116 -12.953 -16.641 10.732 953 HA3 GLY 116 2HA GLY 116 -14.573 -15.926 10.576 954 H1 GLY 330 H GLY 330 24.231 -5.833 8.270 955 HA2 GLY 330 1HA GLY 330 23.051 -3.627 6.681 956 HA3 GLY 330 2HA GLY 330 24.679 -3.609 7.401 957 H ALA 331 H ALA 331 24.359 -3.111 4.716 958 HA ALA 331 HA ALA 331 24.906 -3.715 2.610 959 HB1 ALA 331 1HB ALA 331 27.021 -4.830 2.317 960 HB2 ALA 331 2HB ALA 331 27.132 -3.776 3.737 961 HB3 ALA 331 3HB ALA 331 26.941 -5.544 3.936 962 H MET 332 H MET 332 22.691 -5.193 3.735 963 HA MET 332 HA MET 332 22.774 -7.975 2.889 964 HB2 MET 332 1HB MET 332 20.506 -6.094 3.618 965 HB3 MET 332 2HB MET 332 20.359 -7.837 3.491 966 HG2 MET 332 1HG MET 332 21.916 -6.294 5.582 967 HG3 MET 332 2HG MET 332 20.418 -7.187 5.789 968 HE1 MET 332 1HE MET 332 21.673 -8.243 8.027 969 HE2 MET 332 2HE MET 332 20.433 -9.171 7.155 970 HE3 MET 332 3HE MET 332 21.915 -9.973 7.707 971 H GLU 333 H GLU 333 23.232 -5.651 0.918 972 HA GLU 333 HA GLU 333 21.045 -5.640 -0.981 973 HB2 GLU 333 1HB GLU 333 23.890 -4.562 -1.204 974 HB3 GLU 333 2HB GLU 333 22.516 -4.161 -2.255 975 HG2 GLU 333 1HG GLU 333 21.328 -3.282 -0.201 976 HG3 GLU 333 2HG GLU 333 22.847 -3.517 0.699 977 H ILE 334 H ILE 334 21.441 -8.218 -0.712 978 HA ILE 334 HA ILE 334 23.569 -9.349 -2.298 979 HB ILE 334 HB ILE 334 22.342 -11.448 -2.121 980 HG12 ILE 334 1HG1 ILE 334 20.133 -9.914 -0.686 981 HG13 ILE 334 2HG1 ILE 334 20.012 -10.582 -2.313 982 HG21 ILE 334 1HG2 ILE 334 22.338 -9.987 0.553 983 HG22 ILE 334 2HG2 ILE 334 22.606 -11.716 0.268 984 HG23 ILE 334 3HG2 ILE 334 23.809 -10.542 -0.265 985 HD11 ILE 334 1HD1 ILE 334 20.443 -12.869 -1.389 986 HD12 ILE 334 2HD1 ILE 334 20.359 -12.173 0.252 987 HD13 ILE 334 3HD1 ILE 334 18.951 -12.103 -0.813 988 H ILE 335 H ILE 335 23.500 -10.234 -4.313 989 HA ILE 335 HA ILE 335 21.972 -8.807 -6.317 990 HB ILE 335 HB ILE 335 23.763 -11.263 -6.572 991 HG12 ILE 335 1HG1 ILE 335 24.874 -8.518 -7.157 992 HG13 ILE 335 2HG1 ILE 335 24.834 -9.035 -5.479 993 HG21 ILE 335 1HG2 ILE 335 22.959 -9.142 -8.605 994 HG22 ILE 335 2HG2 ILE 335 24.205 -10.377 -8.898 995 HG23 ILE 335 3HG2 ILE 335 22.537 -10.860 -8.624 996 HD11 ILE 335 1HD1 ILE 335 26.095 -11.069 -6.010 997 HD12 ILE 335 2HD1 ILE 335 26.150 -10.609 -7.714 998 HD13 ILE 335 3HD1 ILE 335 26.976 -9.608 -6.506 999 H HIS 336 H HIS 336 21.772 -11.854 -4.617 1000 HA HIS 336 HA HIS 336 19.852 -13.103 -6.418 1001 HB2 HIS 336 1HB HIS 336 21.056 -13.965 -3.761 1002 HB3 HIS 336 2HB HIS 336 19.998 -14.946 -4.759 1003 HD1 HIS 336 HD1 HIS 336 21.079 -15.967 -7.068 1004 HD2 HIS 336 HD2 HIS 336 23.616 -13.715 -4.539 1005 HE1 HIS 336 HE1 HIS 336 23.451 -16.544 -7.738 1006 H GLU 337 H GLU 337 18.510 -10.981 -5.990 1007 HA GLU 337 HA GLU 337 17.090 -10.874 -3.456 1008 HB2 GLU 337 1HB GLU 337 15.655 -9.223 -4.570 1009 HB3 GLU 337 2HB GLU 337 17.377 -8.824 -4.678 1010 HG2 GLU 337 1HG GLU 337 17.454 -9.564 -7.011 1011 HG3 GLU 337 2HG GLU 337 15.788 -10.118 -6.932 1012 H ASP 338 H ASP 338 15.243 -11.994 -2.896 1013 HA ASP 338 HA ASP 338 14.256 -14.061 -4.740 1014 HB2 ASP 338 1HB ASP 338 14.506 -14.525 -2.333 1015 HB3 ASP 338 2HB ASP 338 13.410 -13.198 -1.943 1016 H ASN 339 H ASN 339 13.286 -10.871 -3.639 1017 HA ASN 339 HA ASN 339 10.636 -11.098 -5.034 1018 HB2 ASN 339 1HB ASN 339 11.629 -9.246 -2.845 1019 HB3 ASN 339 2HB ASN 339 10.091 -9.038 -3.672 1020 HD21 ASN 339 1HD2 ASN 339 9.685 -12.562 -1.852 1021 HD22 ASN 339 2HD2 ASN 339 10.387 -12.396 -3.433 1022 H GLU 340 H GLU 340 9.858 -9.142 -6.108 1023 HA GLU 340 HA GLU 340 11.996 -7.887 -7.691 1024 HB2 GLU 340 1HB GLU 340 8.985 -8.205 -7.882 1025 HB3 GLU 340 2HB GLU 340 9.775 -6.936 -8.816 1026 HG2 GLU 340 1HG GLU 340 10.523 -9.881 -8.974 1027 HG3 GLU 340 2HG GLU 340 9.445 -9.045 -10.102 1028 H TRP 341 H TRP 341 9.061 -6.708 -5.993 1029 HA TRP 341 HA TRP 341 8.568 -4.686 -5.107 1030 HB2 TRP 341 2HB TRP 341 11.477 -4.738 -4.264 1031 HB3 TRP 341 3HB TRP 341 10.253 -3.644 -3.636 1032 HD1 TRP 341 HD1 TRP 341 11.990 -6.593 -2.694 1033 HE1 TRP 341 1HE TRP 341 10.668 -8.134 -1.060 1034 HE3 TRP 341 3HE TRP 341 7.319 -4.559 -3.216 1035 HZ2 TRP 341 2HZ TRP 341 8.000 -8.352 -0.054 1036 HZ3 TRP 341 3HZ TRP 341 5.403 -5.530 -2.008 1037 HH2 TRP 341 HH2 TRP 341 5.728 -7.389 -0.399 1038 H GLY 342 H GLY 342 8.809 -4.579 -7.794 1039 HA2 GLY 342 1HA GLY 342 10.615 -2.479 -8.677 1040 HA3 GLY 342 2HA GLY 342 9.342 -3.276 -9.621 1041 H ILE 343 H ILE 343 9.952 -0.336 -9.218 1042 HA ILE 343 HA ILE 343 7.804 0.757 -7.611 1043 HB ILE 343 HB ILE 343 9.879 1.892 -9.501 1044 HG12 ILE 343 1HG1 ILE 343 9.403 2.165 -6.490 1045 HG13 ILE 343 2HG1 ILE 343 10.562 1.075 -7.254 1046 HG21 ILE 343 1HG2 ILE 343 9.146 4.181 -8.882 1047 HG22 ILE 343 2HG2 ILE 343 7.923 3.341 -9.797 1048 HG23 ILE 343 3HG2 ILE 343 7.741 3.470 -8.038 1049 HD11 ILE 343 1HD1 ILE 343 11.754 3.010 -8.243 1050 HD12 ILE 343 2HD1 ILE 343 10.700 4.105 -7.333 1051 HD13 ILE 343 3HD1 ILE 343 11.757 2.991 -6.465 1052 H GLU 344 H GLU 344 5.881 1.647 -8.154 1053 HA GLU 344 HA GLU 344 5.006 1.733 -10.963 1054 HB2 GLU 344 1HB GLU 344 4.495 -0.559 -10.114 1055 HB3 GLU 344 2HB GLU 344 3.616 0.147 -8.765 1056 HG2 GLU 344 1HG GLU 344 2.073 -0.592 -10.483 1057 HG3 GLU 344 2HG GLU 344 1.980 1.151 -10.297 1058 H LEU 345 H LEU 345 4.012 3.732 -11.259 1059 HA LEU 345 HA LEU 345 3.296 5.336 -8.909 1060 HB2 LEU 345 1HB LEU 345 3.457 5.808 -11.902 1061 HB3 LEU 345 2HB LEU 345 2.403 6.813 -10.923 1062 HG LEU 345 HG LEU 345 4.320 7.371 -9.411 1063 HD11 LEU 345 1HD1 LEU 345 6.023 6.135 -11.615 1064 HD12 LEU 345 2HD1 LEU 345 5.846 5.485 -9.970 1065 HD13 LEU 345 3HD1 LEU 345 6.611 7.063 -10.225 1066 HD21 LEU 345 1HD2 LEU 345 5.298 9.028 -10.946 1067 HD22 LEU 345 2HD2 LEU 345 3.549 8.903 -11.186 1068 HD23 LEU 345 3HD2 LEU 345 4.649 8.138 -12.343 1069 H VAL 346 H VAL 346 1.347 5.215 -7.972 1070 HA VAL 346 HA VAL 346 -0.991 4.318 -9.576 1071 HB VAL 346 HB VAL 346 -0.334 3.550 -6.723 1072 HG11 VAL 346 1HG1 VAL 346 -2.768 3.739 -7.089 1073 HG12 VAL 346 2HG1 VAL 346 -2.629 2.697 -8.529 1074 HG13 VAL 346 3HG1 VAL 346 -2.294 2.046 -6.906 1075 HG21 VAL 346 1HG2 VAL 346 -0.305 1.197 -7.844 1076 HG22 VAL 346 2HG2 VAL 346 -0.203 2.049 -9.383 1077 HG23 VAL 346 3HG2 VAL 346 1.082 2.234 -8.172 1078 H SER 347 H SER 347 -2.172 6.063 -9.849 1079 HA SER 347 HA SER 347 -3.030 7.710 -7.592 1080 HB2 SER 347 1HB SER 347 -2.549 9.832 -9.042 1081 HB3 SER 347 2HB SER 347 -1.324 9.137 -8.026 1082 HG SER 347 HG SER 347 -1.569 8.910 -10.807 1083 H GLU 348 H GLU 348 -4.812 9.242 -8.293 1084 HA GLU 348 HA GLU 348 -6.871 7.717 -9.451 1085 HB2 GLU 348 1HB GLU 348 -7.076 9.635 -7.824 1086 HB3 GLU 348 2HB GLU 348 -6.747 10.750 -9.159 1087 HG2 GLU 348 1HG GLU 348 -8.754 9.907 -10.354 1088 HG3 GLU 348 2HG GLU 348 -9.025 8.742 -9.047 Start of MODEL 6 1 H1 MET 1 H MET 1 1.123 -16.137 8.178 2 HA MET 1 HA MET 1 0.744 -13.340 7.325 3 HB2 MET 1 1HB MET 1 1.124 -12.594 9.543 4 HB3 MET 1 2HB MET 1 -0.074 -13.878 9.653 5 HG2 MET 1 1HG MET 1 1.764 -15.481 10.292 6 HG3 MET 1 2HG MET 1 2.896 -14.123 10.264 7 HE1 MET 1 1HE MET 1 3.813 -13.970 12.511 8 HE2 MET 1 2HE MET 1 2.910 -14.305 14.009 9 HE3 MET 1 3HE MET 1 3.105 -15.574 12.780 10 H GLY 2 H GLY 2 2.857 -11.987 8.167 11 HA2 GLY 2 1HA GLY 2 5.238 -12.126 8.456 12 HA3 GLY 2 2HA GLY 2 5.290 -13.502 7.344 13 H TRP 3 H TRP 3 6.628 -10.843 7.180 14 HA TRP 3 HA TRP 3 5.395 -9.752 4.718 15 HB2 TRP 3 2HB TRP 3 7.248 -8.599 6.808 16 HB3 TRP 3 3HB TRP 3 6.947 -7.823 5.259 17 HD1 TRP 3 HD1 TRP 3 6.085 -7.200 8.512 18 HE1 TRP 3 1HE TRP 3 3.843 -6.047 8.805 19 HE3 TRP 3 3HE TRP 3 3.952 -8.492 4.020 20 HZ2 TRP 3 2HZ TRP 3 1.341 -5.842 7.304 21 HZ3 TRP 3 3HZ TRP 3 1.715 -7.893 3.498 22 HH2 TRP 3 HH2 TRP 3 0.327 -6.493 5.109 23 H MET 4 H MET 4 6.196 -10.646 2.983 24 HA MET 4 HA MET 4 8.581 -12.130 2.782 25 HB2 MET 4 1HB MET 4 6.619 -10.957 0.898 26 HB3 MET 4 2HB MET 4 8.252 -10.901 0.252 27 HG2 MET 4 1HG MET 4 7.326 -12.924 -0.483 28 HG3 MET 4 2HG MET 4 8.539 -13.312 0.727 29 HE1 MET 4 1HE MET 4 7.695 -15.740 0.793 30 HE2 MET 4 2HE MET 4 5.995 -16.220 1.001 31 HE3 MET 4 3HE MET 4 6.500 -15.332 -0.451 32 H PHE 5 H PHE 5 8.048 -8.668 2.063 33 HA PHE 5 HA PHE 5 10.639 -7.991 1.291 34 HB2 PHE 5 2HB PHE 5 10.010 -5.701 2.116 35 HB3 PHE 5 3HB PHE 5 8.973 -6.378 0.899 36 HD1 PHE 5 1HD PHE 5 9.198 -5.124 4.338 37 HD2 PHE 5 2HD PHE 5 6.616 -7.086 1.487 38 HE1 PHE 5 1HE PHE 5 7.242 -4.523 5.696 39 HE2 PHE 5 2HE PHE 5 4.659 -6.436 2.819 40 HZ PHE 5 HZ PHE 5 4.952 -5.129 4.932 41 H LYS 6 H LYS 6 9.268 -7.837 4.589 42 HA LYS 6 HA LYS 6 11.586 -6.809 5.840 43 HB2 LYS 6 1HB LYS 6 9.235 -6.816 6.740 44 HB3 LYS 6 2HB LYS 6 9.399 -8.570 7.018 45 HG2 LYS 6 1HG LYS 6 11.225 -8.223 8.543 46 HG3 LYS 6 2HG LYS 6 11.225 -6.466 8.227 47 HD2 LYS 6 1HD LYS 6 8.848 -6.462 9.139 48 HD3 LYS 6 2HD LYS 6 9.103 -8.142 9.650 49 HE2 LYS 6 1HE LYS 6 10.744 -5.701 10.464 50 HE3 LYS 6 2HE LYS 6 9.595 -6.561 11.501 51 HZ1 LYS 6 1HZ LYS 6 11.964 -7.130 11.852 52 HZ2 LYS 6 2HZ LYS 6 12.058 -7.744 10.367 53 HZ3 LYS 6 3HZ LYS 6 11.048 -8.468 11.444 54 H GLU 7 H GLU 7 10.479 -10.194 5.394 55 HA GLU 7 HA GLU 7 12.551 -11.324 7.009 56 HB2 GLU 7 1HB GLU 7 10.336 -12.373 6.392 57 HB3 GLU 7 2HB GLU 7 10.931 -12.588 4.752 58 HG2 GLU 7 1HG GLU 7 11.171 -14.659 6.040 59 HG3 GLU 7 2HG GLU 7 12.758 -14.036 5.618 60 H ASP 8 H ASP 8 12.191 -10.758 3.455 61 HA ASP 8 HA ASP 8 14.799 -11.944 2.990 62 HB2 ASP 8 1HB ASP 8 12.600 -11.045 1.226 63 HB3 ASP 8 2HB ASP 8 14.170 -10.537 0.659 64 H HIS 9 H HIS 9 13.787 -8.523 2.196 65 HA HIS 9 HA HIS 9 16.151 -7.539 3.567 66 HB2 HIS 9 1HB HIS 9 17.148 -6.514 1.543 67 HB3 HIS 9 2HB HIS 9 17.261 -8.264 1.563 68 HD1 HIS 9 HD1 HIS 9 14.381 -8.907 0.186 69 HD2 HIS 9 HD2 HIS 9 17.386 -6.275 -1.073 70 HE1 HIS 9 HE1 HIS 9 13.988 -8.550 -2.269 71 H SER 10 H SER 10 15.399 -5.750 4.545 72 HA SER 10 HA SER 10 13.546 -3.980 3.038 73 HB2 SER 10 1HB SER 10 13.107 -5.339 5.593 74 HB3 SER 10 2HB SER 10 12.933 -3.591 5.727 75 HG SER 10 HG SER 10 11.018 -4.496 5.192 76 H LEU 11 H LEU 11 15.430 -3.700 6.164 77 HA LEU 11 HA LEU 11 15.646 -1.058 6.284 78 HB2 LEU 11 1HB LEU 11 17.929 -2.980 6.735 79 HB3 LEU 11 2HB LEU 11 17.913 -1.306 7.313 80 HG LEU 11 HG LEU 11 15.761 -3.278 8.076 81 HD11 LEU 11 1HD1 LEU 11 17.909 -4.247 8.706 82 HD12 LEU 11 2HD1 LEU 11 16.980 -3.747 10.123 83 HD13 LEU 11 3HD1 LEU 11 18.353 -2.756 9.567 84 HD21 LEU 11 1HD2 LEU 11 16.808 -0.758 9.470 85 HD22 LEU 11 2HD2 LEU 11 15.439 -1.762 9.996 86 HD23 LEU 11 3HD2 LEU 11 15.327 -0.830 8.506 87 H GLU 12 H GLU 12 18.160 -2.786 4.355 88 HA GLU 12 HA GLU 12 19.343 -0.306 3.415 89 HB2 GLU 12 1HB GLU 12 19.406 -3.153 2.295 90 HB3 GLU 12 2HB GLU 12 20.165 -1.787 1.483 91 HG2 GLU 12 1HG GLU 12 21.397 -1.381 3.728 92 HG3 GLU 12 2HG GLU 12 20.968 -3.069 4.080 93 H HIS 13 H HIS 13 17.197 -2.630 1.863 94 HA HIS 13 HA HIS 13 16.769 -1.489 -0.578 95 HB2 HIS 13 1HB HIS 13 16.046 -3.749 0.449 96 HB3 HIS 13 2HB HIS 13 14.594 -2.934 1.002 97 HD1 HIS 13 HD1 HIS 13 15.339 -5.188 -1.593 98 HD2 HIS 13 HD2 HIS 13 13.703 -1.286 -1.520 99 HE1 HIS 13 HE1 HIS 13 14.147 -4.893 -3.765 100 H ARG 14 H ARG 14 14.624 -1.076 2.223 101 HA ARG 14 HA ARG 14 12.802 0.810 1.191 102 HB2 ARG 14 1HB ARG 14 13.686 0.425 4.073 103 HB3 ARG 14 2HB ARG 14 12.198 1.188 3.523 104 HG2 ARG 14 1HG ARG 14 12.755 -1.746 2.986 105 HG3 ARG 14 2HG ARG 14 12.172 -1.172 4.525 106 HD2 ARG 14 1HD ARG 14 10.210 -1.761 3.477 107 HD3 ARG 14 2HD ARG 14 10.290 -0.031 3.107 108 HE ARG 14 HE ARG 14 10.406 -0.556 0.894 109 HH11 ARG 14 1HH1 ARG 14 11.176 -3.621 2.688 110 HH12 ARG 14 2HH1 ARG 14 11.307 -4.458 1.181 111 HH21 ARG 14 1HH2 ARG 14 11.137 -1.644 -0.849 112 HH22 ARG 14 2HH2 ARG 14 11.460 -3.404 -0.791 113 H CYS 15 H CYS 15 15.716 1.326 3.321 114 HA CYS 15 HA CYS 15 15.342 4.097 3.623 115 HB2 CYS 15 2HB CYS 15 16.801 2.590 4.943 116 HB3 CYS 15 3HB CYS 15 17.949 2.498 3.598 117 HG CYS 15 HG CYS 15 18.377 4.129 5.864 118 H VAL 16 H VAL 16 17.288 2.312 1.182 119 HA VAL 16 HA VAL 16 18.140 4.648 -0.216 120 HB VAL 16 HB VAL 16 18.007 1.692 -0.929 121 HG11 VAL 16 1HG1 VAL 16 19.425 3.863 -2.526 122 HG12 VAL 16 2HG1 VAL 16 19.564 2.115 -2.763 123 HG13 VAL 16 3HG1 VAL 16 18.015 2.918 -3.070 124 HG21 VAL 16 1HG2 VAL 16 20.312 3.553 -0.164 125 HG22 VAL 16 2HG2 VAL 16 19.593 2.322 0.889 126 HG23 VAL 16 3HG2 VAL 16 20.467 1.829 -0.557 127 H GLU 17 H GLU 17 15.381 2.423 -0.659 128 HA GLU 17 HA GLU 17 14.373 3.382 -3.120 129 HB2 GLU 17 1HB GLU 17 13.661 1.275 -2.177 130 HB3 GLU 17 2HB GLU 17 13.207 2.045 -0.664 131 HG2 GLU 17 1HG GLU 17 11.373 3.209 -1.983 132 HG3 GLU 17 2HG GLU 17 11.709 2.045 -3.268 133 H SER 18 H SER 18 13.399 4.218 0.259 134 HA SER 18 HA SER 18 11.502 6.143 -0.394 135 HB2 SER 18 1HB SER 18 12.005 4.995 1.855 136 HB3 SER 18 2HB SER 18 13.240 6.253 2.089 137 HG SER 18 HG SER 18 11.556 7.244 2.853 138 H ALA 19 H ALA 19 15.034 6.596 0.346 139 HA ALA 19 HA ALA 19 15.064 9.370 -0.009 140 HB1 ALA 19 1HB ALA 19 16.944 8.084 0.830 141 HB2 ALA 19 2HB ALA 19 17.193 7.332 -0.747 142 HB3 ALA 19 3HB ALA 19 17.470 9.077 -0.523 143 H LYS 20 H LYS 20 15.565 6.867 -2.555 144 HA LYS 20 HA LYS 20 15.942 8.734 -4.681 145 HB2 LYS 20 1HB LYS 20 14.892 5.864 -4.765 146 HB3 LYS 20 2HB LYS 20 15.237 6.849 -6.191 147 HG2 LYS 20 1HG LYS 20 17.588 7.221 -5.292 148 HG3 LYS 20 2HG LYS 20 17.255 5.960 -4.104 149 HD2 LYS 20 1HD LYS 20 16.721 4.398 -6.048 150 HD3 LYS 20 2HD LYS 20 17.243 5.715 -7.133 151 HE2 LYS 20 1HE LYS 20 19.358 5.742 -5.526 152 HE3 LYS 20 2HE LYS 20 18.829 4.084 -5.146 153 HZ1 LYS 20 1HZ LYS 20 20.497 4.330 -6.963 154 HZ2 LYS 20 2HZ LYS 20 19.344 5.058 -7.891 155 HZ3 LYS 20 3HZ LYS 20 19.141 3.503 -7.418 156 H ILE 21 H ILE 21 12.951 7.317 -3.304 157 HA ILE 21 HA ILE 21 11.234 8.421 -5.343 158 HB ILE 21 HB ILE 21 10.829 7.410 -2.511 159 HG12 ILE 21 1HG1 ILE 21 9.899 6.221 -5.164 160 HG13 ILE 21 2HG1 ILE 21 11.495 5.894 -4.526 161 HG21 ILE 21 1HG2 ILE 21 9.010 9.046 -2.894 162 HG22 ILE 21 2HG2 ILE 21 8.561 8.218 -4.386 163 HG23 ILE 21 3HG2 ILE 21 8.403 7.410 -2.822 164 HD11 ILE 21 1HD1 ILE 21 10.467 5.129 -2.374 165 HD12 ILE 21 2HD1 ILE 21 8.898 5.256 -3.157 166 HD13 ILE 21 3HD1 ILE 21 10.108 4.124 -3.804 167 H ARG 22 H ARG 22 12.310 9.621 -2.096 168 HA ARG 22 HA ARG 22 10.710 11.973 -2.224 169 HB2 ARG 22 1HB ARG 22 13.295 11.373 -0.739 170 HB3 ARG 22 2HB ARG 22 12.356 12.846 -0.485 171 HG2 ARG 22 1HG ARG 22 11.023 10.109 -0.243 172 HG3 ARG 22 2HG ARG 22 11.977 10.759 1.067 173 HD2 ARG 22 1HD ARG 22 9.691 12.341 -0.151 174 HD3 ARG 22 2HD ARG 22 9.437 11.150 1.122 175 HE ARG 22 HE ARG 22 10.633 13.782 1.360 176 HH11 ARG 22 1HH1 ARG 22 10.375 10.603 2.959 177 HH12 ARG 22 2HH1 ARG 22 11.185 11.088 4.403 178 HH21 ARG 22 1HH2 ARG 22 11.511 14.493 3.381 179 HH22 ARG 22 2HH2 ARG 22 11.854 13.347 4.617 180 H ALA 23 H ALA 23 13.853 11.217 -3.656 181 HA ALA 23 HA ALA 23 14.372 13.996 -4.432 182 HB1 ALA 23 1HB ALA 23 16.196 12.412 -4.080 183 HB2 ALA 23 2HB ALA 23 15.580 11.358 -5.374 184 HB3 ALA 23 3HB ALA 23 16.195 12.982 -5.757 185 H LYS 24 H LYS 24 13.236 11.050 -6.126 186 HA LYS 24 HA LYS 24 12.877 12.425 -8.676 187 HB2 LYS 24 1HB LYS 24 12.016 9.685 -7.671 188 HB3 LYS 24 2HB LYS 24 11.737 10.268 -9.303 189 HG2 LYS 24 1HG LYS 24 14.190 10.558 -9.631 190 HG3 LYS 24 2HG LYS 24 14.478 9.818 -8.056 191 HD2 LYS 24 1HD LYS 24 12.989 8.498 -10.372 192 HD3 LYS 24 2HD LYS 24 14.694 8.234 -10.003 193 HE2 LYS 24 1HE LYS 24 14.180 7.231 -7.869 194 HE3 LYS 24 2HE LYS 24 12.471 7.661 -7.998 195 HZ1 LYS 24 1HZ LYS 24 13.762 5.822 -9.919 196 HZ2 LYS 24 2HZ LYS 24 12.163 6.061 -9.685 197 HZ3 LYS 24 3HZ LYS 24 13.093 5.299 -8.531 198 H TYR 25 H TYR 25 10.564 11.167 -6.248 199 HA TYR 25 HA TYR 25 8.373 12.767 -7.425 200 HB2 TYR 25 2HB TYR 25 7.851 10.142 -6.081 201 HB3 TYR 25 3HB TYR 25 6.969 10.953 -7.351 202 HD1 TYR 25 1HD TYR 25 9.141 8.287 -6.457 203 HD2 TYR 25 2HD TYR 25 8.312 10.966 -9.737 204 HE1 TYR 25 1HE TYR 25 10.250 6.723 -7.984 205 HE2 TYR 25 2HE TYR 25 9.505 9.434 -11.261 206 HH TYR 25 HH TYR 25 10.694 7.480 -11.460 207 HA PRO 26 HA PRO 26 9.386 13.732 -2.923 208 HB2 PRO 26 2HB PRO 26 8.858 16.444 -3.067 209 HB3 PRO 26 3HB PRO 26 10.442 15.709 -3.428 210 HG2 PRO 26 2HG PRO 26 8.277 16.491 -5.388 211 HG3 PRO 26 3HG PRO 26 10.032 16.830 -5.480 212 HD2 PRO 26 2HD PRO 26 8.885 14.739 -6.795 213 HD3 PRO 26 3HD PRO 26 10.522 14.574 -6.063 214 H ASP 27 H ASP 27 6.710 14.622 -5.057 215 HA ASP 27 HA ASP 27 4.858 14.908 -2.793 216 HB2 ASP 27 1HB ASP 27 4.902 16.448 -4.782 217 HB3 ASP 27 2HB ASP 27 4.273 15.102 -5.757 218 H ARG 28 H ARG 28 6.158 12.166 -3.781 219 HA ARG 28 HA ARG 28 3.536 10.768 -3.660 220 HB2 ARG 28 1HB ARG 28 5.736 9.776 -5.489 221 HB3 ARG 28 2HB ARG 28 4.105 9.130 -5.279 222 HG2 ARG 28 1HG ARG 28 3.261 11.453 -6.042 223 HG3 ARG 28 2HG ARG 28 4.913 11.768 -6.586 224 HD2 ARG 28 1HD ARG 28 4.761 9.772 -8.036 225 HD3 ARG 28 2HD ARG 28 3.128 9.465 -7.449 226 HE ARG 28 HE ARG 28 2.995 10.456 -9.559 227 HH11 ARG 28 1HH1 ARG 28 3.118 12.980 -7.007 228 HH12 ARG 28 2HH1 ARG 28 2.513 14.142 -8.143 229 HH21 ARG 28 1HH2 ARG 28 2.608 12.170 -10.980 230 HH22 ARG 28 2HH2 ARG 28 2.455 13.772 -10.374 231 H VAL 29 H VAL 29 3.383 8.954 -2.451 232 HA VAL 29 HA VAL 29 5.708 8.535 -0.690 233 HB VAL 29 HB VAL 29 4.056 7.916 1.048 234 HG11 VAL 29 1HG1 VAL 29 4.980 10.200 0.880 235 HG12 VAL 29 2HG1 VAL 29 3.664 10.671 -0.206 236 HG13 VAL 29 3HG1 VAL 29 3.307 10.227 1.464 237 HG21 VAL 29 1HG2 VAL 29 2.125 7.259 -0.379 238 HG22 VAL 29 2HG2 VAL 29 1.704 8.506 0.804 239 HG23 VAL 29 3HG2 VAL 29 1.935 8.953 -0.887 240 HA PRO 30 HA PRO 30 5.902 4.326 -2.075 241 HB2 PRO 30 2HB PRO 30 7.581 3.271 -0.193 242 HB3 PRO 30 3HB PRO 30 8.120 4.514 -1.343 243 HG2 PRO 30 2HG PRO 30 7.241 4.909 1.518 244 HG3 PRO 30 3HG PRO 30 8.672 5.593 0.694 245 HD2 PRO 30 2HD PRO 30 6.281 6.932 1.028 246 HD3 PRO 30 3HD PRO 30 7.385 7.220 -0.350 247 H VAL 31 H VAL 31 4.165 2.889 -1.956 248 HA VAL 31 HA VAL 31 3.490 1.878 0.732 249 HB VAL 31 HB VAL 31 1.597 2.350 -1.594 250 HG11 VAL 31 1HG1 VAL 31 -0.069 1.909 0.328 251 HG12 VAL 31 2HG1 VAL 31 0.819 0.498 -0.247 252 HG13 VAL 31 3HG1 VAL 31 1.300 1.307 1.261 253 HG21 VAL 31 1HG2 VAL 31 0.605 4.106 -0.129 254 HG22 VAL 31 2HG2 VAL 31 1.960 3.919 0.997 255 HG23 VAL 31 3HG2 VAL 31 2.240 4.518 -0.643 256 H ILE 32 H ILE 32 3.133 -0.281 0.937 257 HA ILE 32 HA ILE 32 3.741 -2.118 -1.332 258 HB ILE 32 HB ILE 32 4.541 -2.216 1.612 259 HG12 ILE 32 1HG1 ILE 32 5.993 -0.926 -0.030 260 HG13 ILE 32 2HG1 ILE 32 6.783 -2.156 0.943 261 HG21 ILE 32 1HG2 ILE 32 3.899 -4.468 1.161 262 HG22 ILE 32 2HG2 ILE 32 4.677 -4.454 -0.438 263 HG23 ILE 32 3HG2 ILE 32 5.673 -4.404 1.030 264 HD11 ILE 32 1HD1 ILE 32 7.539 -2.033 -1.434 265 HD12 ILE 32 2HD1 ILE 32 6.970 -3.635 -0.957 266 HD13 ILE 32 3HD1 ILE 32 5.931 -2.583 -1.950 267 H VAL 33 H VAL 33 1.835 -3.285 -1.762 268 HA VAL 33 HA VAL 33 -0.169 -3.428 0.411 269 HB VAL 33 HB VAL 33 -0.891 -1.686 -0.991 270 HG11 VAL 33 1HG1 VAL 33 -1.350 -1.874 -3.398 271 HG12 VAL 33 2HG1 VAL 33 0.373 -2.035 -3.052 272 HG13 VAL 33 3HG1 VAL 33 -0.588 -3.477 -3.423 273 HG21 VAL 33 1HG2 VAL 33 -3.060 -2.464 -1.713 274 HG22 VAL 33 2HG2 VAL 33 -2.482 -4.142 -1.779 275 HG23 VAL 33 3HG2 VAL 33 -2.603 -3.300 -0.215 276 H GLU 34 H GLU 34 -0.698 -5.500 0.925 277 HA GLU 34 HA GLU 34 -0.393 -7.533 -1.249 278 HB2 GLU 34 1HB GLU 34 0.719 -7.858 1.554 279 HB3 GLU 34 2HB GLU 34 0.623 -9.109 0.318 280 HG2 GLU 34 1HG GLU 34 2.018 -7.377 -1.136 281 HG3 GLU 34 2HG GLU 34 2.460 -6.711 0.441 282 H LYS 35 H LYS 35 -1.548 -9.525 -0.826 283 HA LYS 35 HA LYS 35 -4.198 -8.972 0.270 284 HB2 LYS 35 1HB LYS 35 -3.746 -10.293 -1.843 285 HB3 LYS 35 2HB LYS 35 -2.964 -11.526 -0.872 286 HG2 LYS 35 1HG LYS 35 -5.601 -11.102 0.244 287 HG3 LYS 35 2HG LYS 35 -5.781 -11.156 -1.492 288 HD2 LYS 35 1HD LYS 35 -4.251 -13.300 0.056 289 HD3 LYS 35 2HD LYS 35 -5.988 -13.382 -0.267 290 HE2 LYS 35 1HE LYS 35 -5.570 -13.185 -2.685 291 HE3 LYS 35 2HE LYS 35 -3.833 -13.156 -2.363 292 HZ1 LYS 35 1HZ LYS 35 -4.469 -15.288 -3.027 293 HZ2 LYS 35 2HZ LYS 35 -5.665 -15.422 -1.888 294 HZ3 LYS 35 3HZ LYS 35 -4.070 -15.407 -1.442 295 H VAL 36 H VAL 36 -5.141 -10.022 2.087 296 HA VAL 36 HA VAL 36 -3.381 -10.854 4.234 297 HB VAL 36 HB VAL 36 -6.405 -10.924 3.863 298 HG11 VAL 36 1HG1 VAL 36 -6.542 -11.467 6.296 299 HG12 VAL 36 2HG1 VAL 36 -5.833 -12.786 5.368 300 HG13 VAL 36 3HG1 VAL 36 -4.784 -11.724 6.333 301 HG21 VAL 36 1HG2 VAL 36 -6.318 -9.155 5.617 302 HG22 VAL 36 2HG2 VAL 36 -4.543 -9.282 5.642 303 HG23 VAL 36 3HG2 VAL 36 -5.373 -8.682 4.194 304 H SER 37 H SER 37 -2.317 -12.769 4.094 305 HA SER 37 HA SER 37 -2.613 -14.588 2.064 306 HB2 SER 37 1HB SER 37 -1.329 -16.149 3.525 307 HB3 SER 37 2HB SER 37 -0.622 -14.563 3.248 308 HG SER 37 HG SER 37 -1.898 -15.558 5.567 309 H GLY 38 H GLY 38 -3.740 -16.342 1.600 310 HA2 GLY 38 1HA GLY 38 -5.024 -18.270 2.086 311 HA3 GLY 38 2HA GLY 38 -5.489 -17.595 3.635 312 H SER 39 H SER 39 -6.130 -14.843 2.087 313 HA SER 39 HA SER 39 -8.852 -15.578 1.870 314 HB2 SER 39 1HB SER 39 -8.187 -13.340 2.584 315 HB3 SER 39 2HB SER 39 -7.629 -12.962 0.949 316 HG SER 39 HG SER 39 -10.265 -13.810 1.624 317 H GLN 40 H GLN 40 -10.217 -15.673 0.135 318 HA GLN 40 HA GLN 40 -9.170 -16.991 -2.225 319 HB2 GLN 40 1HB GLN 40 -11.931 -16.098 -1.317 320 HB3 GLN 40 2HB GLN 40 -11.657 -17.026 -2.796 321 HG2 GLN 40 1HG GLN 40 -10.974 -18.958 -1.657 322 HG3 GLN 40 2HG GLN 40 -10.554 -18.092 -0.177 323 HE21 GLN 40 1HE2 GLN 40 -14.454 -19.111 -0.816 324 HE22 GLN 40 2HE2 GLN 40 -13.460 -18.739 -2.236 325 H ILE 41 H ILE 41 -9.854 -13.719 -1.488 326 HA ILE 41 HA ILE 41 -10.572 -12.901 -4.117 327 HB ILE 41 HB ILE 41 -10.919 -11.577 -2.014 328 HG12 ILE 41 1HG1 ILE 41 -10.737 -9.384 -2.981 329 HG13 ILE 41 2HG1 ILE 41 -9.609 -9.942 -4.219 330 HG21 ILE 41 1HG2 ILE 41 -8.002 -10.766 -2.340 331 HG22 ILE 41 2HG2 ILE 41 -9.161 -10.077 -1.186 332 HG23 ILE 41 3HG2 ILE 41 -8.658 -11.772 -1.036 333 HD11 ILE 41 1HD1 ILE 41 -12.403 -11.108 -3.876 334 HD12 ILE 41 2HD1 ILE 41 -12.085 -9.728 -4.926 335 HD13 ILE 41 3HD1 ILE 41 -11.334 -11.273 -5.293 336 H VAL 42 H VAL 42 -9.247 -11.621 -5.678 337 HA VAL 42 HA VAL 42 -7.107 -13.117 -6.548 338 HB VAL 42 HB VAL 42 -6.885 -11.561 -8.292 339 HG11 VAL 42 1HG1 VAL 42 -9.107 -12.834 -8.068 340 HG12 VAL 42 2HG1 VAL 42 -9.825 -11.315 -7.533 341 HG13 VAL 42 3HG1 VAL 42 -9.099 -11.428 -9.139 342 HG21 VAL 42 1HG2 VAL 42 -8.386 -9.505 -6.619 343 HG22 VAL 42 2HG2 VAL 42 -6.668 -9.448 -7.077 344 HG23 VAL 42 3HG2 VAL 42 -7.911 -9.336 -8.325 345 H ASP 43 H ASP 43 -4.951 -12.888 -6.718 346 HA ASP 43 HA ASP 43 -3.522 -11.619 -4.509 347 HB2 ASP 43 1HB ASP 43 -2.853 -13.590 -6.724 348 HB3 ASP 43 2HB ASP 43 -1.590 -12.872 -5.730 349 H ILE 44 H ILE 44 -1.433 -10.518 -4.935 350 HA ILE 44 HA ILE 44 -1.327 -9.006 -7.434 351 HB ILE 44 HB ILE 44 -2.428 -7.555 -5.797 352 HG12 ILE 44 1HG1 ILE 44 0.406 -6.575 -6.334 353 HG13 ILE 44 2HG1 ILE 44 -0.798 -6.782 -7.611 354 HG21 ILE 44 1HG2 ILE 44 -1.434 -8.436 -3.687 355 HG22 ILE 44 2HG2 ILE 44 0.123 -7.717 -4.134 356 HG23 ILE 44 3HG2 ILE 44 -1.257 -6.676 -3.817 357 HD11 ILE 44 1HD1 ILE 44 -0.733 -4.470 -6.904 358 HD12 ILE 44 2HD1 ILE 44 -2.295 -5.211 -6.478 359 HD13 ILE 44 3HD1 ILE 44 -1.062 -4.921 -5.222 360 H ASP 45 H ASP 45 0.712 -8.686 -8.215 361 HA ASP 45 HA ASP 45 2.835 -10.415 -7.295 362 HB2 ASP 45 1HB ASP 45 2.561 -8.214 -9.378 363 HB3 ASP 45 2HB ASP 45 4.166 -8.741 -8.899 364 H LYS 46 H LYS 46 4.979 -9.648 -6.561 365 HA LYS 46 HA LYS 46 4.685 -7.650 -4.455 366 HB2 LYS 46 1HB LYS 46 6.960 -9.414 -5.464 367 HB3 LYS 46 2HB LYS 46 7.248 -8.106 -4.315 368 HG2 LYS 46 1HG LYS 46 6.843 -9.699 -2.768 369 HG3 LYS 46 2HG LYS 46 5.212 -9.172 -3.030 370 HD2 LYS 46 1HD LYS 46 4.859 -11.130 -4.586 371 HD3 LYS 46 2HD LYS 46 6.548 -11.609 -4.304 372 HE2 LYS 46 1HE LYS 46 5.897 -11.532 -1.765 373 HE3 LYS 46 2HE LYS 46 4.228 -11.573 -2.343 374 HZ1 LYS 46 1HZ LYS 46 6.343 -13.622 -2.738 375 HZ2 LYS 46 2HZ LYS 46 4.934 -13.682 -3.553 376 HZ3 LYS 46 3HZ LYS 46 4.930 -13.796 -1.931 377 H ARG 47 H ARG 47 4.244 -5.674 -5.355 378 HA ARG 47 HA ARG 47 6.456 -4.422 -6.895 379 HB2 ARG 47 1HB ARG 47 3.505 -3.999 -7.465 380 HB3 ARG 47 2HB ARG 47 4.849 -3.237 -8.312 381 HG2 ARG 47 1HG ARG 47 4.097 -6.190 -8.370 382 HG3 ARG 47 2HG ARG 47 3.801 -5.015 -9.630 383 HD2 ARG 47 1HD ARG 47 6.608 -5.769 -8.799 384 HD3 ARG 47 2HD ARG 47 5.670 -6.636 -10.018 385 HE ARG 47 HE ARG 47 5.861 -3.741 -10.465 386 HH11 ARG 47 1HH1 ARG 47 7.460 -6.877 -11.094 387 HH12 ARG 47 2HH1 ARG 47 8.470 -6.217 -12.341 388 HH21 ARG 47 1HH2 ARG 47 6.985 -2.999 -12.170 389 HH22 ARG 47 2HH2 ARG 47 8.164 -3.942 -13.036 390 H LYS 48 H LYS 48 6.629 -2.161 -6.473 391 HA LYS 48 HA LYS 48 5.499 -1.400 -3.810 392 HB2 LYS 48 1HB LYS 48 7.661 0.222 -5.081 393 HB3 LYS 48 2HB LYS 48 7.262 -0.094 -3.397 394 HG2 LYS 48 1HG LYS 48 8.206 -2.459 -3.749 395 HG3 LYS 48 2HG LYS 48 8.784 -1.881 -5.337 396 HD2 LYS 48 1HD LYS 48 9.941 0.029 -4.150 397 HD3 LYS 48 2HD LYS 48 9.353 -0.642 -2.628 398 HE2 LYS 48 1HE LYS 48 11.612 -1.255 -2.797 399 HE3 LYS 48 2HE LYS 48 10.670 -2.712 -3.057 400 HZ1 LYS 48 1HZ LYS 48 12.022 -1.093 -5.162 401 HZ2 LYS 48 2HZ LYS 48 11.165 -2.476 -5.433 402 HZ3 LYS 48 3HZ LYS 48 12.519 -2.496 -4.534 403 H TYR 49 H TYR 49 3.652 -0.259 -4.011 404 HA TYR 49 HA TYR 49 3.196 1.309 -6.475 405 HB2 TYR 49 2HB TYR 49 1.469 0.286 -4.219 406 HB3 TYR 49 3HB TYR 49 0.936 1.626 -5.215 407 HD1 TYR 49 1HD TYR 49 2.979 -1.023 -6.893 408 HD2 TYR 49 2HD TYR 49 -1.029 0.272 -5.918 409 HE1 TYR 49 1HE TYR 49 2.103 -2.458 -8.646 410 HE2 TYR 49 2HE TYR 49 -1.918 -1.223 -7.690 411 HH TYR 49 HH TYR 49 -1.286 -3.156 -9.079 412 H LEU 50 H LEU 50 3.693 3.331 -6.637 413 HA LEU 50 HA LEU 50 4.114 5.010 -4.214 414 HB2 LEU 50 1HB LEU 50 4.662 5.689 -7.145 415 HB3 LEU 50 2HB LEU 50 5.108 6.621 -5.725 416 HG LEU 50 HG LEU 50 6.293 3.966 -6.636 417 HD11 LEU 50 1HD1 LEU 50 8.346 5.354 -6.806 418 HD12 LEU 50 2HD1 LEU 50 7.403 6.776 -6.302 419 HD13 LEU 50 3HD1 LEU 50 7.049 5.972 -7.843 420 HD21 LEU 50 1HD2 LEU 50 6.171 3.855 -4.244 421 HD22 LEU 50 2HD2 LEU 50 6.827 5.510 -4.090 422 HD23 LEU 50 3HD2 LEU 50 7.824 4.179 -4.768 423 H VAL 51 H VAL 51 2.361 6.239 -3.626 424 HA VAL 51 HA VAL 51 0.419 6.987 -5.744 425 HB VAL 51 HB VAL 51 -1.194 7.114 -3.848 426 HG11 VAL 51 1HG1 VAL 51 -1.752 4.742 -3.985 427 HG12 VAL 51 2HG1 VAL 51 -1.180 5.315 -5.556 428 HG13 VAL 51 3HG1 VAL 51 -0.103 4.348 -4.518 429 HG21 VAL 51 1HG2 VAL 51 0.795 5.372 -2.351 430 HG22 VAL 51 2HG2 VAL 51 0.296 7.021 -1.906 431 HG23 VAL 51 3HG2 VAL 51 -0.880 5.704 -1.872 432 HA PRO 52 HA PRO 52 1.836 11.038 -4.624 433 HB2 PRO 52 2HB PRO 52 -0.238 12.683 -5.344 434 HB3 PRO 52 3HB PRO 52 0.887 11.930 -6.523 435 HG2 PRO 52 2HG PRO 52 -1.834 11.024 -5.675 436 HG3 PRO 52 3HG PRO 52 -1.206 11.112 -7.313 437 HD2 PRO 52 2HD PRO 52 -1.286 8.762 -5.873 438 HD3 PRO 52 3HD PRO 52 0.064 9.103 -6.997 439 H SER 53 H SER 53 1.877 12.246 -2.702 440 HA SER 53 HA SER 53 0.284 11.413 -0.546 441 HB2 SER 53 1HB SER 53 1.387 14.054 -0.128 442 HB3 SER 53 2HB SER 53 1.798 12.519 0.635 443 HG SER 53 HG SER 53 3.202 13.946 -1.022 444 H ASP 54 H ASP 54 -0.377 13.556 -3.058 445 HA ASP 54 HA ASP 54 -2.061 15.534 -1.888 446 HB2 ASP 54 1HB ASP 54 -0.687 15.430 -4.085 447 HB3 ASP 54 2HB ASP 54 -2.017 14.494 -4.753 448 H ILE 55 H ILE 55 -2.771 12.266 -3.329 449 HA ILE 55 HA ILE 55 -5.637 12.834 -3.315 450 HB ILE 55 HB ILE 55 -5.895 10.543 -4.046 451 HG12 ILE 55 1HG1 ILE 55 -3.066 9.874 -4.482 452 HG13 ILE 55 2HG1 ILE 55 -3.451 9.969 -2.790 453 HG21 ILE 55 1HG2 ILE 55 -4.804 10.784 -6.226 454 HG22 ILE 55 2HG2 ILE 55 -5.433 12.343 -5.650 455 HG23 ILE 55 3HG2 ILE 55 -3.716 12.033 -5.563 456 HD11 ILE 55 1HD1 ILE 55 -4.968 8.306 -4.851 457 HD12 ILE 55 2HD1 ILE 55 -3.731 7.692 -3.731 458 HD13 ILE 55 3HD1 ILE 55 -5.258 8.327 -3.094 459 H THR 56 H THR 56 -7.218 11.305 -2.200 460 HA THR 56 HA THR 56 -6.400 11.010 0.633 461 HB THR 56 HB THR 56 -8.873 10.924 1.034 462 HG1 THR 56 1HG THR 56 -9.442 12.036 -1.386 463 HG21 THR 56 1HG2 THR 56 -9.304 13.312 0.585 464 HG22 THR 56 2HG2 THR 56 -7.879 13.392 -0.468 465 HG23 THR 56 3HG2 THR 56 -7.698 13.059 1.269 466 H VAL 57 H VAL 57 -7.505 9.230 1.861 467 HA VAL 57 HA VAL 57 -6.634 6.678 1.021 468 HB VAL 57 HB VAL 57 -8.680 7.616 3.038 469 HG11 VAL 57 1HG1 VAL 57 -8.612 5.447 4.128 470 HG12 VAL 57 2HG1 VAL 57 -9.163 5.220 2.478 471 HG13 VAL 57 3HG1 VAL 57 -7.494 4.812 2.894 472 HG21 VAL 57 1HG2 VAL 57 -5.812 6.647 3.377 473 HG22 VAL 57 2HG2 VAL 57 -6.356 8.324 3.518 474 HG23 VAL 57 3HG2 VAL 57 -6.897 7.126 4.695 475 H ALA 58 H ALA 58 -9.870 8.239 0.675 476 HA ALA 58 HA ALA 58 -11.218 5.982 -0.321 477 HB1 ALA 58 1HB ALA 58 -11.568 8.938 -0.990 478 HB2 ALA 58 2HB ALA 58 -12.711 7.654 -1.445 479 HB3 ALA 58 3HB ALA 58 -12.411 7.996 0.265 480 H GLN 59 H GLN 59 -9.243 8.454 -2.167 481 HA GLN 59 HA GLN 59 -9.840 7.324 -4.691 482 HB2 GLN 59 1HB GLN 59 -7.482 8.972 -3.697 483 HB3 GLN 59 2HB GLN 59 -7.872 8.685 -5.401 484 HG2 GLN 59 1HG GLN 59 -9.982 9.872 -5.172 485 HG3 GLN 59 2HG GLN 59 -9.800 10.014 -3.430 486 HE21 GLN 59 1HE2 GLN 59 -7.523 12.492 -5.788 487 HE22 GLN 59 2HE2 GLN 59 -7.845 10.872 -6.383 488 H PHE 60 H PHE 60 -7.080 6.833 -2.403 489 HA PHE 60 HA PHE 60 -5.719 5.009 -4.069 490 HB2 PHE 60 2HB PHE 60 -4.737 6.079 -2.085 491 HB3 PHE 60 3HB PHE 60 -5.797 5.151 -1.039 492 HD1 PHE 60 1HD PHE 60 -3.847 4.392 0.223 493 HD2 PHE 60 2HD PHE 60 -4.197 3.457 -3.986 494 HE1 PHE 60 1HE PHE 60 -2.112 2.685 0.455 495 HE2 PHE 60 2HE PHE 60 -2.417 1.781 -3.752 496 HZ PHE 60 HZ PHE 60 -1.363 1.362 -1.544 497 H MET 61 H MET 61 -8.145 4.368 -1.520 498 HA MET 61 HA MET 61 -8.293 1.581 -1.703 499 HB2 MET 61 1HB MET 61 -9.270 2.892 0.115 500 HB3 MET 61 2HB MET 61 -10.383 3.689 -1.007 501 HG2 MET 61 1HG MET 61 -11.378 1.472 -1.543 502 HG3 MET 61 2HG MET 61 -10.358 0.743 -0.307 503 HE1 MET 61 1HE MET 61 -14.482 1.735 0.428 504 HE2 MET 61 2HE MET 61 -13.708 2.191 -1.103 505 HE3 MET 61 3HE MET 61 -13.560 0.526 -0.498 506 H TRP 62 H TRP 62 -10.131 4.082 -3.572 507 HA TRP 62 HA TRP 62 -11.777 2.203 -4.984 508 HB2 TRP 62 2HB TRP 62 -11.050 5.111 -5.244 509 HB3 TRP 62 3HB TRP 62 -11.552 4.309 -6.704 510 HD1 TRP 62 HD1 TRP 62 -12.948 5.324 -3.320 511 HE1 TRP 62 1HE TRP 62 -15.508 5.500 -3.503 512 HE3 TRP 62 3HE TRP 62 -13.529 3.188 -7.916 513 HZ2 TRP 62 2HZ TRP 62 -17.547 4.849 -5.490 514 HZ3 TRP 62 3HZ TRP 62 -15.771 3.063 -8.973 515 HH2 TRP 62 HH2 TRP 62 -17.763 3.913 -7.783 516 H ILE 63 H ILE 63 -8.587 3.760 -5.727 517 HA ILE 63 HA ILE 63 -8.391 2.541 -8.287 518 HB ILE 63 HB ILE 63 -6.104 3.395 -6.488 519 HG12 ILE 63 1HG1 ILE 63 -7.079 5.005 -8.870 520 HG13 ILE 63 2HG1 ILE 63 -7.899 5.215 -7.348 521 HG21 ILE 63 1HG2 ILE 63 -5.073 3.628 -8.903 522 HG22 ILE 63 2HG2 ILE 63 -5.186 2.004 -8.188 523 HG23 ILE 63 3HG2 ILE 63 -6.357 2.557 -9.403 524 HD11 ILE 63 1HD1 ILE 63 -4.925 5.660 -7.862 525 HD12 ILE 63 2HD1 ILE 63 -6.136 6.871 -7.420 526 HD13 ILE 63 3HD1 ILE 63 -5.649 5.662 -6.241 527 H ILE 64 H ILE 64 -7.384 1.355 -4.996 528 HA ILE 64 HA ILE 64 -6.052 -0.967 -5.951 529 HB ILE 64 HB ILE 64 -7.558 -0.432 -3.363 530 HG12 ILE 64 1HG1 ILE 64 -4.563 -0.809 -3.820 531 HG13 ILE 64 2HG1 ILE 64 -5.334 0.762 -3.947 532 HG21 ILE 64 1HG2 ILE 64 -6.460 -2.501 -2.438 533 HG22 ILE 64 2HG2 ILE 64 -7.648 -2.866 -3.673 534 HG23 ILE 64 3HG2 ILE 64 -5.922 -2.908 -4.080 535 HD11 ILE 64 1HD1 ILE 64 -5.233 -0.969 -1.446 536 HD12 ILE 64 2HD1 ILE 64 -4.408 0.555 -1.727 537 HD13 ILE 64 3HD1 ILE 64 -6.172 0.540 -1.594 538 H ARG 65 H ARG 65 -9.586 -0.617 -5.027 539 HA ARG 65 HA ARG 65 -10.125 -3.313 -5.898 540 HB2 ARG 65 1HB ARG 65 -12.516 -2.707 -5.900 541 HB3 ARG 65 2HB ARG 65 -11.672 -2.175 -4.439 542 HG2 ARG 65 1HG ARG 65 -11.510 0.075 -5.278 543 HG3 ARG 65 2HG ARG 65 -12.347 -0.382 -6.768 544 HD2 ARG 65 1HD ARG 65 -13.534 -0.442 -3.973 545 HD3 ARG 65 2HD ARG 65 -13.699 0.859 -5.163 546 HE ARG 65 HE ARG 65 -14.550 -1.893 -5.849 547 HH11 ARG 65 1HH1 ARG 65 -15.591 1.378 -4.949 548 HH12 ARG 65 2HH1 ARG 65 -17.063 1.323 -5.879 549 HH21 ARG 65 1HH2 ARG 65 -16.602 -2.043 -6.940 550 HH22 ARG 65 2HH2 ARG 65 -17.632 -0.647 -6.992 551 H LYS 66 H LYS 66 -10.223 -0.293 -7.728 552 HA LYS 66 HA LYS 66 -11.289 -1.379 -10.137 553 HB2 LYS 66 1HB LYS 66 -9.515 1.027 -9.586 554 HB3 LYS 66 2HB LYS 66 -10.141 0.669 -11.184 555 HG2 LYS 66 1HG LYS 66 -12.078 0.850 -8.854 556 HG3 LYS 66 2HG LYS 66 -11.418 2.327 -9.532 557 HD2 LYS 66 1HD LYS 66 -12.772 0.210 -11.245 558 HD3 LYS 66 2HD LYS 66 -13.683 1.497 -10.446 559 HE2 LYS 66 1HE LYS 66 -11.362 2.019 -12.339 560 HE3 LYS 66 2HE LYS 66 -13.050 1.941 -12.867 561 HZ1 LYS 66 1HZ LYS 66 -12.183 3.813 -10.743 562 HZ2 LYS 66 2HZ LYS 66 -13.543 3.892 -11.639 563 HZ3 LYS 66 3HZ LYS 66 -12.058 4.176 -12.314 564 H ARG 67 H ARG 67 -7.892 -0.944 -9.088 565 HA ARG 67 HA ARG 67 -6.650 -1.881 -11.444 566 HB2 ARG 67 1HB ARG 67 -5.853 -1.507 -8.557 567 HB3 ARG 67 2HB ARG 67 -4.897 -2.632 -9.457 568 HG2 ARG 67 1HG ARG 67 -5.368 0.236 -10.333 569 HG3 ARG 67 2HG ARG 67 -3.951 -0.339 -9.452 570 HD2 ARG 67 1HD ARG 67 -4.803 -1.202 -12.248 571 HD3 ARG 67 2HD ARG 67 -3.442 -0.162 -11.826 572 HE ARG 67 HE ARG 67 -3.159 -2.685 -10.506 573 HH11 ARG 67 1HH1 ARG 67 -3.104 -1.345 -13.809 574 HH12 ARG 67 2HH1 ARG 67 -1.827 -2.380 -14.353 575 HH21 ARG 67 1HH2 ARG 67 -1.619 -4.218 -11.328 576 HH22 ARG 67 2HH2 ARG 67 -1.111 -4.116 -12.966 577 H ILE 68 H ILE 68 -7.550 -3.689 -8.466 578 HA ILE 68 HA ILE 68 -6.624 -6.160 -9.740 579 HB ILE 68 HB ILE 68 -7.126 -7.242 -7.726 580 HG12 ILE 68 1HG1 ILE 68 -8.731 -4.795 -6.950 581 HG13 ILE 68 2HG1 ILE 68 -9.295 -6.450 -7.113 582 HG21 ILE 68 1HG2 ILE 68 -5.598 -6.176 -6.302 583 HG22 ILE 68 2HG2 ILE 68 -5.135 -5.680 -7.922 584 HG23 ILE 68 3HG2 ILE 68 -6.022 -4.550 -6.880 585 HD11 ILE 68 1HD1 ILE 68 -9.091 -5.863 -4.757 586 HD12 ILE 68 2HD1 ILE 68 -7.908 -7.124 -5.157 587 HD13 ILE 68 3HD1 ILE 68 -7.401 -5.426 -4.946 588 H GLN 69 H GLN 69 -9.268 -4.316 -10.266 589 HA GLN 69 HA GLN 69 -11.299 -4.526 -11.094 590 HB2 GLN 69 1HB GLN 69 -9.989 -6.902 -12.420 591 HB3 GLN 69 2HB GLN 69 -11.530 -6.212 -12.940 592 HG2 GLN 69 1HG GLN 69 -8.923 -4.615 -12.835 593 HG3 GLN 69 2HG GLN 69 -9.444 -5.530 -14.232 594 HE21 GLN 69 1HE2 GLN 69 -10.755 -2.458 -15.389 595 HE22 GLN 69 2HE2 GLN 69 -9.320 -3.440 -15.370 596 H LEU 70 H LEU 70 -11.786 -4.881 -8.830 597 HA LEU 70 HA LEU 70 -12.482 -7.367 -7.734 598 HB2 LEU 70 1HB LEU 70 -12.049 -5.053 -6.656 599 HB3 LEU 70 2HB LEU 70 -13.752 -4.761 -6.898 600 HG LEU 70 HG LEU 70 -13.488 -5.520 -4.617 601 HD11 LEU 70 1HD1 LEU 70 -14.381 -8.036 -5.967 602 HD12 LEU 70 2HD1 LEU 70 -15.391 -6.599 -5.683 603 HD13 LEU 70 3HD1 LEU 70 -14.676 -7.474 -4.326 604 HD21 LEU 70 1HD2 LEU 70 -11.231 -6.307 -4.815 605 HD22 LEU 70 2HD2 LEU 70 -11.737 -7.734 -5.716 606 HD23 LEU 70 3HD2 LEU 70 -12.226 -7.526 -4.010 607 HA PRO 71 HA PRO 71 -16.369 -7.797 -10.120 608 HB2 PRO 71 2HB PRO 71 -16.953 -10.344 -9.379 609 HB3 PRO 71 3HB PRO 71 -15.659 -9.959 -10.551 610 HG2 PRO 71 2HG PRO 71 -15.385 -10.513 -7.571 611 HG3 PRO 71 3HG PRO 71 -14.467 -11.262 -8.918 612 HD2 PRO 71 2HD PRO 71 -13.499 -9.171 -7.509 613 HD3 PRO 71 3HD PRO 71 -13.240 -9.283 -9.261 614 H SER 72 H SER 72 -18.661 -7.963 -9.559 615 HA SER 72 HA SER 72 -19.347 -6.944 -7.015 616 HB2 SER 72 1HB SER 72 -20.592 -6.829 -9.283 617 HB3 SER 72 2HB SER 72 -21.282 -8.398 -8.845 618 HG SER 72 HG SER 72 -22.585 -6.678 -8.263 619 H GLU 73 H GLU 73 -18.832 -10.278 -7.990 620 HA GLU 73 HA GLU 73 -20.537 -11.503 -6.028 621 HB2 GLU 73 1HB GLU 73 -18.921 -13.461 -6.275 622 HB3 GLU 73 2HB GLU 73 -19.871 -12.998 -7.686 623 HG2 GLU 73 1HG GLU 73 -18.090 -12.100 -8.819 624 HG3 GLU 73 2HG GLU 73 -17.154 -11.769 -7.364 625 H LYS 74 H LYS 74 -17.230 -10.137 -5.899 626 HA LYS 74 HA LYS 74 -17.044 -10.975 -3.060 627 HB2 LYS 74 1HB LYS 74 -14.757 -10.065 -4.826 628 HB3 LYS 74 2HB LYS 74 -14.661 -10.760 -3.223 629 HG2 LYS 74 1HG LYS 74 -15.584 -12.226 -5.721 630 HG3 LYS 74 2HG LYS 74 -14.020 -12.388 -4.970 631 HD2 LYS 74 1HD LYS 74 -16.625 -13.138 -3.572 632 HD3 LYS 74 2HD LYS 74 -15.660 -14.244 -4.542 633 HE2 LYS 74 1HE LYS 74 -13.732 -13.980 -3.055 634 HE3 LYS 74 2HE LYS 74 -14.614 -12.797 -2.077 635 HZ1 LYS 74 1HZ LYS 74 -16.243 -14.609 -1.620 636 HZ2 LYS 74 2HZ LYS 74 -14.754 -14.955 -1.026 637 HZ3 LYS 74 3HZ LYS 74 -15.229 -15.658 -2.416 638 H ALA 75 H ALA 75 -15.811 -9.531 -1.718 639 HA ALA 75 HA ALA 75 -16.707 -6.714 -1.904 640 HB1 ALA 75 1HB ALA 75 -17.907 -7.946 -0.124 641 HB2 ALA 75 2HB ALA 75 -16.357 -8.494 0.553 642 HB3 ALA 75 3HB ALA 75 -16.786 -6.766 0.581 643 H ILE 76 H ILE 76 -15.080 -5.397 -0.301 644 HA ILE 76 HA ILE 76 -12.368 -6.438 -0.380 645 HB ILE 76 HB ILE 76 -12.587 -5.432 -2.556 646 HG12 ILE 76 1HG1 ILE 76 -10.924 -3.497 -2.289 647 HG13 ILE 76 2HG1 ILE 76 -10.900 -3.865 -0.579 648 HG21 ILE 76 1HG2 ILE 76 -13.126 -3.106 -2.965 649 HG22 ILE 76 2HG2 ILE 76 -14.479 -3.898 -2.182 650 HG23 ILE 76 3HG2 ILE 76 -13.402 -2.833 -1.233 651 HD11 ILE 76 1HD1 ILE 76 -10.245 -5.786 -2.837 652 HD12 ILE 76 2HD1 ILE 76 -9.063 -4.926 -1.846 653 HD13 ILE 76 3HD1 ILE 76 -10.116 -6.157 -1.101 654 H PHE 77 H PHE 77 -11.148 -5.588 1.246 655 HA PHE 77 HA PHE 77 -12.172 -3.444 2.999 656 HB2 PHE 77 2HB PHE 77 -11.456 -6.268 3.920 657 HB3 PHE 77 3HB PHE 77 -11.759 -4.907 4.982 658 HD1 PHE 77 1HD PHE 77 -13.309 -7.332 2.649 659 HD2 PHE 77 2HD PHE 77 -14.016 -4.232 5.556 660 HE1 PHE 77 1HE PHE 77 -15.710 -7.963 2.736 661 HE2 PHE 77 2HE PHE 77 -16.432 -4.850 5.619 662 HZ PHE 77 HZ PHE 77 -17.274 -6.705 4.199 663 H LEU 78 H LEU 78 -10.437 -2.352 3.995 664 HA LEU 78 HA LEU 78 -7.666 -3.308 3.410 665 HB2 LEU 78 1HB LEU 78 -8.847 -0.509 3.601 666 HB3 LEU 78 2HB LEU 78 -7.114 -0.803 3.710 667 HG LEU 78 HG LEU 78 -8.763 -1.714 1.340 668 HD11 LEU 78 1HD1 LEU 78 -8.928 0.737 1.565 669 HD12 LEU 78 2HD1 LEU 78 -7.906 0.311 0.179 670 HD13 LEU 78 3HD1 LEU 78 -7.167 0.861 1.696 671 HD21 LEU 78 1HD2 LEU 78 -6.515 -2.807 1.672 672 HD22 LEU 78 2HD2 LEU 78 -5.773 -1.205 1.557 673 HD23 LEU 78 3HD2 LEU 78 -6.649 -1.878 0.171 674 H PHE 79 H PHE 79 -6.144 -3.162 5.046 675 HA PHE 79 HA PHE 79 -6.951 -2.174 7.693 676 HB2 PHE 79 2HB PHE 79 -5.839 -4.951 7.169 677 HB3 PHE 79 3HB PHE 79 -6.153 -4.236 8.752 678 HD1 PHE 79 1HD PHE 79 -7.709 -5.689 5.691 679 HD2 PHE 79 2HD PHE 79 -8.388 -4.284 9.719 680 HE1 PHE 79 1HE PHE 79 -9.910 -6.852 5.735 681 HE2 PHE 79 2HE PHE 79 -10.566 -5.460 9.752 682 HZ PHE 79 HZ PHE 79 -11.330 -6.757 7.767 683 H VAL 80 H VAL 80 -5.329 -0.889 8.428 684 HA VAL 80 HA VAL 80 -2.572 -1.375 7.425 685 HB VAL 80 HB VAL 80 -3.761 0.425 6.245 686 HG11 VAL 80 1HG1 VAL 80 -3.659 2.053 8.807 687 HG12 VAL 80 2HG1 VAL 80 -4.269 2.557 7.241 688 HG13 VAL 80 3HG1 VAL 80 -5.148 1.327 8.177 689 HG21 VAL 80 1HG2 VAL 80 -1.347 0.448 6.390 690 HG22 VAL 80 2HG2 VAL 80 -1.948 2.119 6.476 691 HG23 VAL 80 3HG2 VAL 80 -1.443 1.300 7.944 692 H ASP 81 H ASP 81 -1.257 -1.845 9.118 693 HA ASP 81 HA ASP 81 -0.708 -2.422 11.250 694 HB2 ASP 81 1HB ASP 81 0.392 -0.283 10.836 695 HB3 ASP 81 2HB ASP 81 -0.973 0.581 11.548 696 H LYS 82 H LYS 82 -3.168 -3.257 11.121 697 HA LYS 82 HA LYS 82 -4.993 -3.908 12.279 698 HB2 LYS 82 1HB LYS 82 -2.973 -3.382 14.325 699 HB3 LYS 82 2HB LYS 82 -4.536 -2.980 14.953 700 HG2 LYS 82 1HG LYS 82 -4.550 -5.131 15.532 701 HG3 LYS 82 2HG LYS 82 -5.219 -5.358 13.915 702 HD2 LYS 82 1HD LYS 82 -2.925 -5.847 13.059 703 HD3 LYS 82 2HD LYS 82 -2.276 -5.632 14.695 704 HE2 LYS 82 1HE LYS 82 -4.387 -7.686 13.935 705 HE3 LYS 82 2HE LYS 82 -2.652 -8.020 14.064 706 HZ1 LYS 82 1HZ LYS 82 -4.298 -7.015 16.295 707 HZ2 LYS 82 2HZ LYS 82 -2.732 -7.504 16.395 708 HZ3 LYS 82 3HZ LYS 82 -3.917 -8.585 16.085 709 H THR 83 H THR 83 -4.849 -0.916 11.299 710 HA THR 83 HA THR 83 -7.256 -0.033 12.803 711 HB THR 83 HB THR 83 -6.619 2.223 12.413 712 HG1 THR 83 1HG THR 83 -4.371 1.209 11.023 713 HG21 THR 83 1HG2 THR 83 -4.674 2.503 13.801 714 HG22 THR 83 2HG2 THR 83 -4.158 0.846 13.512 715 HG23 THR 83 3HG2 THR 83 -5.648 1.156 14.431 716 H VAL 84 H VAL 84 -8.695 1.357 11.598 717 HA VAL 84 HA VAL 84 -9.113 0.403 8.817 718 HB VAL 84 HB VAL 84 -10.944 1.440 11.006 719 HG11 VAL 84 1HG1 VAL 84 -11.634 0.978 8.072 720 HG12 VAL 84 2HG1 VAL 84 -12.825 1.169 9.374 721 HG13 VAL 84 3HG1 VAL 84 -11.742 2.508 8.966 722 HG21 VAL 84 1HG2 VAL 84 -10.307 -0.990 11.004 723 HG22 VAL 84 2HG2 VAL 84 -12.029 -0.737 10.720 724 HG23 VAL 84 3HG2 VAL 84 -10.939 -1.139 9.369 725 HA PRO 85 HA PRO 85 -7.487 4.559 8.316 726 HB2 PRO 85 2HB PRO 85 -7.123 4.631 5.596 727 HB3 PRO 85 3HB PRO 85 -6.034 3.830 6.746 728 HG2 PRO 85 2HG PRO 85 -8.180 2.568 5.038 729 HG3 PRO 85 3HG PRO 85 -6.529 1.956 5.401 730 HD2 PRO 85 2HD PRO 85 -8.813 1.105 6.714 731 HD3 PRO 85 3HD PRO 85 -7.191 1.114 7.457 732 H GLN 86 H GLN 86 -8.482 6.480 8.087 733 HA GLN 86 HA GLN 86 -11.333 6.502 7.484 734 HB2 GLN 86 1HB GLN 86 -10.449 7.960 9.248 735 HB3 GLN 86 2HB GLN 86 -9.421 8.797 8.082 736 HG2 GLN 86 1HG GLN 86 -11.515 9.503 6.840 737 HG3 GLN 86 2HG GLN 86 -12.464 8.722 8.100 738 HE21 GLN 86 1HE2 GLN 86 -12.430 12.329 8.920 739 HE22 GLN 86 2HE2 GLN 86 -13.220 11.245 7.785 740 H SER 87 H SER 87 -12.125 6.607 5.478 741 HA SER 87 HA SER 87 -10.783 6.778 3.091 742 HB2 SER 87 1HB SER 87 -13.639 7.716 3.425 743 HB3 SER 87 2HB SER 87 -12.929 6.771 2.108 744 HG SER 87 HG SER 87 -13.695 6.007 4.710 745 H SER 88 H SER 88 -11.817 9.540 5.019 746 HA SER 88 HA SER 88 -11.488 11.385 2.745 747 HB2 SER 88 1HB SER 88 -13.408 11.403 4.332 748 HB3 SER 88 2HB SER 88 -12.312 11.902 5.619 749 HG SER 88 HG SER 88 -12.456 13.348 3.199 750 H LEU 89 H LEU 89 -9.445 10.036 5.182 751 HA LEU 89 HA LEU 89 -7.801 12.283 5.757 752 HB2 LEU 89 1HB LEU 89 -8.007 10.111 7.033 753 HB3 LEU 89 2HB LEU 89 -7.128 9.317 5.727 754 HG LEU 89 HG LEU 89 -5.118 10.698 6.204 755 HD11 LEU 89 1HD1 LEU 89 -5.030 11.937 8.401 756 HD12 LEU 89 2HD1 LEU 89 -6.768 11.727 8.556 757 HD13 LEU 89 3HD1 LEU 89 -6.110 12.713 7.230 758 HD21 LEU 89 1HD2 LEU 89 -4.544 9.560 8.309 759 HD22 LEU 89 2HD2 LEU 89 -5.507 8.482 7.283 760 HD23 LEU 89 3HD2 LEU 89 -6.281 9.281 8.642 761 H THR 90 H THR 90 -5.704 12.824 4.819 762 HA THR 90 HA THR 90 -5.588 12.324 1.957 763 HB THR 90 HB THR 90 -3.496 13.982 3.227 764 HG1 THR 90 1HG THR 90 -4.801 15.646 3.766 765 HG21 THR 90 1HG2 THR 90 -3.922 13.929 0.776 766 HG22 THR 90 2HG2 THR 90 -4.159 15.550 1.438 767 HG23 THR 90 3HG2 THR 90 -5.563 14.544 1.042 768 H MET 91 H MET 91 -3.644 11.503 0.882 769 HA MET 91 HA MET 91 -2.495 9.285 2.154 770 HB2 MET 91 1HB MET 91 -1.880 10.843 -0.361 771 HB3 MET 91 2HB MET 91 -0.686 9.677 0.200 772 HG2 MET 91 1HG MET 91 -3.553 9.100 -0.564 773 HG3 MET 91 2HG MET 91 -2.093 8.677 -1.449 774 HE1 MET 91 1HE MET 91 -4.293 6.245 1.536 775 HE2 MET 91 2HE MET 91 -4.304 8.018 1.662 776 HE3 MET 91 3HE MET 91 -4.788 7.230 0.144 777 H GLY 92 H GLY 92 -1.154 12.595 1.671 778 HA2 GLY 92 1HA GLY 92 1.387 12.138 2.842 779 HA3 GLY 92 2HA GLY 92 0.562 13.699 2.730 780 H GLN 93 H GLN 93 -1.731 13.026 4.314 781 HA GLN 93 HA GLN 93 -0.750 13.553 6.962 782 HB2 GLN 93 1HB GLN 93 -3.355 13.258 5.545 783 HB3 GLN 93 2HB GLN 93 -3.397 12.683 7.190 784 HG2 GLN 93 1HG GLN 93 -2.117 15.366 6.748 785 HG3 GLN 93 2HG GLN 93 -3.855 15.235 6.479 786 HE21 GLN 93 1HE2 GLN 93 -4.324 15.939 9.898 787 HE22 GLN 93 2HE2 GLN 93 -4.291 16.615 8.282 788 H LEU 94 H LEU 94 -2.281 10.640 5.462 789 HA LEU 94 HA LEU 94 -1.997 9.003 7.771 790 HB2 LEU 94 1HB LEU 94 -3.571 8.536 6.090 791 HB3 LEU 94 2HB LEU 94 -2.392 8.390 4.826 792 HG LEU 94 HG LEU 94 -2.140 6.574 7.259 793 HD11 LEU 94 1HD1 LEU 94 -3.752 4.958 6.328 794 HD12 LEU 94 2HD1 LEU 94 -4.262 6.170 5.117 795 HD13 LEU 94 3HD1 LEU 94 -4.525 6.443 6.856 796 HD21 LEU 94 1HD2 LEU 94 -1.854 5.995 4.266 797 HD22 LEU 94 2HD2 LEU 94 -1.450 4.911 5.622 798 HD23 LEU 94 3HD2 LEU 94 -0.513 6.373 5.365 799 H TYR 95 H TYR 95 0.198 9.607 5.093 800 HA TYR 95 HA TYR 95 2.220 7.680 5.573 801 HB2 TYR 95 2HB TYR 95 2.087 8.795 3.498 802 HB3 TYR 95 3HB TYR 95 2.044 10.375 4.228 803 HD1 TYR 95 1HD TYR 95 4.386 7.442 3.846 804 HD2 TYR 95 2HD TYR 95 3.909 11.729 4.180 805 HE1 TYR 95 1HE TYR 95 6.742 7.754 3.201 806 HE2 TYR 95 2HE TYR 95 6.275 12.040 3.508 807 HH TYR 95 HH TYR 95 8.509 9.434 3.346 808 H GLU 96 H GLU 96 2.025 11.162 6.571 809 HA GLU 96 HA GLU 96 4.403 11.010 8.148 810 HB2 GLU 96 1HB GLU 96 4.156 13.214 8.431 811 HB3 GLU 96 2HB GLU 96 3.092 13.065 7.056 812 HG2 GLU 96 1HG GLU 96 1.151 12.941 8.697 813 HG3 GLU 96 2HG GLU 96 2.292 13.272 10.005 814 H LYS 97 H LYS 97 0.956 10.486 8.950 815 HA LYS 97 HA LYS 97 1.585 10.507 11.794 816 HB2 LYS 97 1HB LYS 97 -0.645 10.439 12.258 817 HB3 LYS 97 2HB LYS 97 -0.568 11.366 10.776 818 HG2 LYS 97 1HG LYS 97 -2.301 9.983 10.172 819 HG3 LYS 97 2HG LYS 97 -0.969 8.957 9.677 820 HD2 LYS 97 1HD LYS 97 -2.504 7.583 10.872 821 HD3 LYS 97 2HD LYS 97 -1.125 7.825 11.955 822 HE2 LYS 97 1HE LYS 97 -2.713 9.910 12.718 823 HE3 LYS 97 2HE LYS 97 -3.951 8.773 12.149 824 HZ1 LYS 97 1HZ LYS 97 -2.776 7.119 13.643 825 HZ2 LYS 97 2HZ LYS 97 -3.591 8.359 14.396 826 HZ3 LYS 97 3HZ LYS 97 -1.947 8.403 14.262 827 H GLU 98 H GLU 98 1.383 8.010 9.244 828 HA GLU 98 HA GLU 98 1.603 5.977 11.429 829 HB2 GLU 98 1HB GLU 98 1.013 5.500 8.505 830 HB3 GLU 98 2HB GLU 98 1.014 4.335 9.845 831 HG2 GLU 98 1HG GLU 98 -0.787 5.776 10.951 832 HG3 GLU 98 2HG GLU 98 -0.920 6.636 9.432 833 H LYS 99 H LYS 99 3.700 7.770 9.503 834 HA LYS 99 HA LYS 99 5.568 6.349 8.416 835 HB2 LYS 99 1HB LYS 99 7.274 7.861 9.149 836 HB3 LYS 99 2HB LYS 99 5.789 8.732 8.814 837 HG2 LYS 99 1HG LYS 99 5.858 9.706 10.791 838 HG3 LYS 99 2HG LYS 99 5.685 8.165 11.594 839 HD2 LYS 99 1HD LYS 99 7.607 9.342 12.468 840 HD3 LYS 99 2HD LYS 99 8.194 7.935 11.551 841 HE2 LYS 99 1HE LYS 99 8.643 9.322 9.604 842 HE3 LYS 99 2HE LYS 99 7.903 10.731 10.365 843 HZ1 LYS 99 1HZ LYS 99 10.286 9.415 11.535 844 HZ2 LYS 99 2HZ LYS 99 9.719 10.935 11.812 845 HZ3 LYS 99 3HZ LYS 99 10.390 10.568 10.377 846 H ASP 100 H ASP 100 6.653 4.596 8.588 847 HA ASP 100 HA ASP 100 7.257 3.409 11.219 848 HB2 ASP 100 1HB ASP 100 7.141 2.481 8.368 849 HB3 ASP 100 2HB ASP 100 8.314 1.671 9.399 850 H GLU 101 H GLU 101 9.560 2.289 11.313 851 HA GLU 101 HA GLU 101 11.536 4.177 11.682 852 HB2 GLU 101 1HB GLU 101 13.044 2.337 11.942 853 HB3 GLU 101 2HB GLU 101 11.473 1.841 12.574 854 HG2 GLU 101 1HG GLU 101 11.073 0.632 10.342 855 HG3 GLU 101 2HG GLU 101 12.739 1.035 9.905 856 H ASP 102 H ASP 102 10.903 2.257 8.837 857 HA ASP 102 HA ASP 102 13.164 3.330 7.321 858 HB2 ASP 102 1HB ASP 102 11.148 1.123 6.989 859 HB3 ASP 102 2HB ASP 102 11.911 1.767 5.550 860 H GLY 103 H GLY 103 10.205 4.581 8.003 861 HA2 GLY 103 1HA GLY 103 8.946 6.269 7.124 862 HA3 GLY 103 2HA GLY 103 10.309 6.621 6.046 863 H PHE 104 H PHE 104 8.758 3.477 6.025 864 HA PHE 104 HA PHE 104 7.596 3.955 3.341 865 HB2 PHE 104 2HB PHE 104 8.270 1.843 2.743 866 HB3 PHE 104 3HB PHE 104 9.586 2.272 3.801 867 HD1 PHE 104 1HD PHE 104 7.546 -0.378 2.930 868 HD2 PHE 104 2HD PHE 104 8.860 1.666 6.510 869 HE1 PHE 104 1HE PHE 104 7.065 -2.386 4.267 870 HE2 PHE 104 2HE PHE 104 8.340 -0.350 7.831 871 HZ PHE 104 HZ PHE 104 7.475 -2.384 6.730 872 H LEU 105 H LEU 105 5.500 2.633 2.935 873 HA LEU 105 HA LEU 105 4.040 2.156 5.512 874 HB2 LEU 105 1HB LEU 105 3.497 4.312 4.360 875 HB3 LEU 105 2HB LEU 105 2.926 3.371 2.978 876 HG LEU 105 HG LEU 105 1.542 2.199 5.110 877 HD11 LEU 105 1HD1 LEU 105 1.718 5.198 5.645 878 HD12 LEU 105 2HD1 LEU 105 2.348 3.892 6.687 879 HD13 LEU 105 3HD1 LEU 105 0.616 4.054 6.441 880 HD21 LEU 105 1HD2 LEU 105 0.557 4.540 3.449 881 HD22 LEU 105 2HD2 LEU 105 -0.430 3.311 4.274 882 HD23 LEU 105 3HD2 LEU 105 0.598 2.848 2.912 883 H TYR 106 H TYR 106 2.799 0.269 5.587 884 HA TYR 106 HA TYR 106 2.728 -1.457 3.174 885 HB2 TYR 106 2HB TYR 106 2.898 -3.407 4.707 886 HB3 TYR 106 3HB TYR 106 4.367 -2.452 4.605 887 HD1 TYR 106 1HD TYR 106 5.123 -1.033 6.472 888 HD2 TYR 106 2HD TYR 106 1.588 -3.489 6.828 889 HE1 TYR 106 1HE TYR 106 5.066 -0.594 8.880 890 HE2 TYR 106 2HE TYR 106 1.496 -2.974 9.254 891 HH TYR 106 HH TYR 106 3.055 -0.351 10.572 892 H VAL 107 H VAL 107 0.631 -2.247 2.720 893 HA VAL 107 HA VAL 107 -1.453 -1.872 4.810 894 HB VAL 107 HB VAL 107 -1.888 -1.213 1.876 895 HG11 VAL 107 1HG1 VAL 107 -3.944 -0.094 2.749 896 HG12 VAL 107 2HG1 VAL 107 -3.932 -1.837 3.021 897 HG13 VAL 107 3HG1 VAL 107 -3.570 -0.745 4.363 898 HG21 VAL 107 1HG2 VAL 107 -1.953 1.182 2.512 899 HG22 VAL 107 2HG2 VAL 107 -1.342 0.748 4.133 900 HG23 VAL 107 3HG2 VAL 107 -0.351 0.482 2.700 901 H ALA 108 H ALA 108 -3.126 -3.506 4.767 902 HA ALA 108 HA ALA 108 -2.499 -5.806 2.984 903 HB1 ALA 108 1HB ALA 108 -1.993 -6.233 5.371 904 HB2 ALA 108 2HB ALA 108 -3.659 -5.768 5.785 905 HB3 ALA 108 3HB ALA 108 -3.351 -7.214 4.787 906 H TYR 109 H TYR 109 -4.307 -6.737 1.930 907 HA TYR 109 HA TYR 109 -6.934 -5.428 2.419 908 HB2 TYR 109 2HB TYR 109 -7.427 -5.219 0.154 909 HB3 TYR 109 3HB TYR 109 -5.827 -4.531 0.345 910 HD1 TYR 109 1HD TYR 109 -7.802 -7.236 -1.214 911 HD2 TYR 109 2HD TYR 109 -3.828 -5.690 -0.554 912 HE1 TYR 109 1HE TYR 109 -6.960 -8.615 -3.092 913 HE2 TYR 109 2HE TYR 109 -2.987 -7.067 -2.425 914 HH TYR 109 HH TYR 109 -5.058 -9.342 -4.257 915 H SER 110 H SER 110 -8.768 -6.737 2.055 916 HA SER 110 HA SER 110 -8.334 -9.619 1.563 917 HB2 SER 110 1HB SER 110 -8.104 -9.276 4.037 918 HB3 SER 110 2HB SER 110 -9.683 -8.469 4.060 919 HG SER 110 HG SER 110 -9.825 -10.684 4.630 920 H GLY 111 H GLY 111 -10.451 -10.669 1.319 921 HA2 GLY 111 1HA GLY 111 -12.440 -8.858 0.024 922 HA3 GLY 111 2HA GLY 111 -12.226 -10.584 -0.309 923 H GLU 112 H GLU 112 -11.876 -10.063 3.104 924 HA GLU 112 HA GLU 112 -14.719 -10.421 3.621 925 HB2 GLU 112 1HB GLU 112 -12.521 -12.157 4.819 926 HB3 GLU 112 2HB GLU 112 -14.274 -12.328 5.014 927 HG2 GLU 112 1HG GLU 112 -14.374 -12.768 2.482 928 HG3 GLU 112 2HG GLU 112 -12.616 -12.848 2.503 929 H ASN 113 H ASN 113 -15.287 -9.962 5.579 930 HA ASN 113 HA ASN 113 -13.918 -7.737 6.938 931 HB2 ASN 113 1HB ASN 113 -16.005 -7.572 8.248 932 HB3 ASN 113 2HB ASN 113 -16.345 -7.535 6.530 933 HD21 ASN 113 1HD2 ASN 113 -18.041 -10.738 6.530 934 HD22 ASN 113 2HD2 ASN 113 -17.353 -9.533 5.492 935 H THR 114 H THR 114 -14.401 -11.212 7.314 936 HA THR 114 HA THR 114 -13.696 -11.300 10.133 937 HB THR 114 HB THR 114 -13.953 -13.839 9.405 938 HG1 THR 114 1HG THR 114 -15.160 -14.154 7.600 939 HG21 THR 114 1HG2 THR 114 -15.557 -12.556 10.844 940 HG22 THR 114 2HG2 THR 114 -16.371 -13.716 9.789 941 HG23 THR 114 3HG2 THR 114 -16.387 -11.993 9.384 942 H PHE 115 H PHE 115 -11.594 -11.561 10.726 943 HA PHE 115 HA PHE 115 -9.597 -12.330 8.642 944 HB2 PHE 115 2HB PHE 115 -8.005 -10.872 9.813 945 HB3 PHE 115 3HB PHE 115 -9.361 -9.996 9.128 946 HD1 PHE 115 1HD PHE 115 -7.938 -11.309 12.330 947 HD2 PHE 115 2HD PHE 115 -10.861 -8.698 10.512 948 HE1 PHE 115 1HE PHE 115 -8.419 -10.306 14.536 949 HE2 PHE 115 2HE PHE 115 -11.343 -7.715 12.743 950 HZ PHE 115 HZ PHE 115 -10.117 -8.495 14.747 951 H GLY 116 H GLY 116 -11.249 -13.715 10.960 952 HA2 GLY 116 1HA GLY 116 -8.964 -15.248 12.118 953 HA3 GLY 116 2HA GLY 116 -10.440 -14.856 13.018 954 H1 GLY 330 H GLY 330 27.074 -11.166 2.097 955 HA2 GLY 330 1HA GLY 330 27.135 -13.091 0.588 956 HA3 GLY 330 2HA GLY 330 26.558 -14.077 1.951 957 H ALA 331 H ALA 331 25.679 -11.513 -0.349 958 HA ALA 331 HA ALA 331 22.964 -11.188 0.564 959 HB1 ALA 331 1HB ALA 331 22.708 -9.990 -1.568 960 HB2 ALA 331 2HB ALA 331 24.175 -9.456 -0.726 961 HB3 ALA 331 3HB ALA 331 24.294 -10.562 -2.120 962 H MET 332 H MET 332 21.166 -12.283 -0.063 963 HA MET 332 HA MET 332 21.433 -14.810 -1.538 964 HB2 MET 332 1HB MET 332 20.194 -14.499 0.640 965 HB3 MET 332 2HB MET 332 19.001 -13.535 -0.232 966 HG2 MET 332 1HG MET 332 18.478 -15.494 -1.659 967 HG3 MET 332 2HG MET 332 19.678 -16.450 -0.792 968 HE1 MET 332 1HE MET 332 19.410 -15.953 2.162 969 HE2 MET 332 2HE MET 332 18.026 -16.894 2.741 970 HE3 MET 332 3HE MET 332 19.167 -17.627 1.605 971 H GLU 333 H GLU 333 22.073 -12.966 -3.288 972 HA GLU 333 HA GLU 333 19.876 -11.811 -4.790 973 HB2 GLU 333 1HB GLU 333 22.172 -10.855 -4.357 974 HB3 GLU 333 2HB GLU 333 22.836 -12.011 -5.506 975 HG2 GLU 333 1HG GLU 333 21.877 -10.905 -7.339 976 HG3 GLU 333 2HG GLU 333 20.528 -10.259 -6.386 977 H ILE 334 H ILE 334 19.148 -14.294 -4.661 978 HA ILE 334 HA ILE 334 20.155 -16.132 -6.645 979 HB ILE 334 HB ILE 334 18.150 -17.449 -6.055 980 HG12 ILE 334 1HG1 ILE 334 17.348 -15.071 -4.302 981 HG13 ILE 334 2HG1 ILE 334 16.545 -15.572 -5.787 982 HG21 ILE 334 1HG2 ILE 334 18.760 -17.918 -3.756 983 HG22 ILE 334 2HG2 ILE 334 20.216 -17.518 -4.676 984 HG23 ILE 334 3HG2 ILE 334 19.505 -16.310 -3.580 985 HD11 ILE 334 1HD1 ILE 334 16.031 -17.784 -4.722 986 HD12 ILE 334 2HD1 ILE 334 16.672 -17.121 -3.192 987 HD13 ILE 334 3HD1 ILE 334 15.270 -16.370 -3.963 988 H ILE 335 H ILE 335 19.027 -16.991 -8.454 989 HA ILE 335 HA ILE 335 17.874 -14.932 -10.159 990 HB ILE 335 HB ILE 335 18.475 -17.902 -10.479 991 HG12 ILE 335 1HG1 ILE 335 19.555 -15.360 -11.786 992 HG13 ILE 335 2HG1 ILE 335 20.353 -16.265 -10.502 993 HG21 ILE 335 1HG2 ILE 335 17.277 -16.110 -12.628 994 HG22 ILE 335 2HG2 ILE 335 17.802 -17.789 -12.838 995 HG23 ILE 335 3HG2 ILE 335 16.416 -17.445 -11.827 996 HD11 ILE 335 1HD1 ILE 335 21.419 -16.736 -12.618 997 HD12 ILE 335 2HD1 ILE 335 20.619 -18.202 -12.039 998 HD13 ILE 335 3HD1 ILE 335 19.902 -17.239 -13.352 999 H HIS 336 H HIS 336 16.663 -17.724 -8.274 1000 HA HIS 336 HA HIS 336 13.937 -17.366 -9.198 1001 HB2 HIS 336 1HB HIS 336 15.086 -19.571 -8.710 1002 HB3 HIS 336 2HB HIS 336 14.949 -19.187 -6.997 1003 HD1 HIS 336 HD1 HIS 336 13.287 -21.321 -6.672 1004 HD2 HIS 336 HD2 HIS 336 12.025 -18.399 -9.451 1005 HE1 HIS 336 HE1 HIS 336 10.912 -21.904 -7.289 1006 H GLU 337 H GLU 337 14.569 -15.006 -8.329 1007 HA GLU 337 HA GLU 337 14.280 -14.355 -5.579 1008 HB2 GLU 337 1HB GLU 337 15.224 -12.818 -7.264 1009 HB3 GLU 337 2HB GLU 337 13.707 -12.818 -8.151 1010 HG2 GLU 337 1HG GLU 337 13.823 -10.761 -6.966 1011 HG3 GLU 337 2HG GLU 337 12.578 -11.734 -6.191 1012 H ASP 338 H ASP 338 12.403 -14.510 -4.306 1013 HA ASP 338 HA ASP 338 9.959 -15.380 -5.586 1014 HB2 ASP 338 1HB ASP 338 10.473 -16.170 -3.336 1015 HB3 ASP 338 2HB ASP 338 10.429 -14.511 -2.709 1016 H ASN 339 H ASN 339 11.028 -12.376 -4.035 1017 HA ASN 339 HA ASN 339 8.593 -11.013 -5.022 1018 HB2 ASN 339 1HB ASN 339 9.100 -9.357 -3.259 1019 HB3 ASN 339 2HB ASN 339 8.647 -10.969 -2.703 1020 HD21 ASN 339 1HD2 ASN 339 12.644 -10.730 -2.022 1021 HD22 ASN 339 2HD2 ASN 339 12.107 -10.378 -3.647 1022 H GLU 340 H GLU 340 8.936 -10.077 -6.961 1023 HA GLU 340 HA GLU 340 11.487 -9.121 -7.799 1024 HB2 GLU 340 1HB GLU 340 9.537 -9.818 -9.265 1025 HB3 GLU 340 2HB GLU 340 8.728 -8.326 -8.808 1026 HG2 GLU 340 1HG GLU 340 9.659 -7.855 -10.876 1027 HG3 GLU 340 2HG GLU 340 10.765 -7.073 -9.786 1028 H TRP 341 H TRP 341 8.778 -7.483 -6.116 1029 HA TRP 341 HA TRP 341 8.452 -5.394 -5.410 1030 HB2 TRP 341 2HB TRP 341 11.414 -5.583 -4.805 1031 HB3 TRP 341 3HB TRP 341 10.343 -4.330 -4.204 1032 HD1 TRP 341 HD1 TRP 341 11.868 -7.214 -2.936 1033 HE1 TRP 341 1HE TRP 341 10.559 -8.357 -1.035 1034 HE3 TRP 341 3HE TRP 341 7.310 -4.941 -3.610 1035 HZ2 TRP 341 2HZ TRP 341 7.804 -8.556 -0.238 1036 HZ3 TRP 341 3HZ TRP 341 5.337 -5.747 -2.370 1037 HH2 TRP 341 HH2 TRP 341 5.563 -7.576 -0.700 1038 H GLY 342 H GLY 342 8.294 -5.154 -8.114 1039 HA2 GLY 342 1HA GLY 342 10.241 -3.176 -9.052 1040 HA3 GLY 342 2HA GLY 342 8.802 -3.724 -9.901 1041 H ILE 343 H ILE 343 10.038 -0.918 -8.918 1042 HA ILE 343 HA ILE 343 7.949 0.248 -7.284 1043 HB ILE 343 HB ILE 343 10.164 1.394 -9.038 1044 HG12 ILE 343 1HG1 ILE 343 9.815 1.438 -6.003 1045 HG13 ILE 343 2HG1 ILE 343 10.749 0.214 -6.850 1046 HG21 ILE 343 1HG2 ILE 343 8.291 2.950 -7.211 1047 HG22 ILE 343 2HG2 ILE 343 9.697 3.621 -8.076 1048 HG23 ILE 343 3HG2 ILE 343 8.318 3.050 -8.985 1049 HD11 ILE 343 1HD1 ILE 343 12.298 1.845 -5.986 1050 HD12 ILE 343 2HD1 ILE 343 12.258 2.038 -7.743 1051 HD13 ILE 343 3HD1 ILE 343 11.401 3.190 -6.690 1052 H GLU 344 H GLU 344 6.041 1.364 -7.958 1053 HA GLU 344 HA GLU 344 5.410 1.498 -10.849 1054 HB2 GLU 344 1HB GLU 344 4.461 -0.573 -9.588 1055 HB3 GLU 344 2HB GLU 344 3.557 0.555 -8.607 1056 HG2 GLU 344 1HG GLU 344 2.214 -0.441 -10.448 1057 HG3 GLU 344 2HG GLU 344 2.282 1.319 -10.510 1058 H LEU 345 H LEU 345 3.747 3.170 -11.339 1059 HA LEU 345 HA LEU 345 3.420 5.223 -9.212 1060 HB2 LEU 345 1HB LEU 345 4.946 6.110 -10.768 1061 HB3 LEU 345 2HB LEU 345 4.044 5.507 -12.157 1062 HG LEU 345 HG LEU 345 2.248 7.112 -11.782 1063 HD11 LEU 345 1HD1 LEU 345 2.407 8.837 -10.043 1064 HD12 LEU 345 2HD1 LEU 345 3.848 8.029 -9.351 1065 HD13 LEU 345 3HD1 LEU 345 2.244 7.273 -9.295 1066 HD21 LEU 345 1HD2 LEU 345 3.511 9.151 -12.237 1067 HD22 LEU 345 2HD2 LEU 345 4.296 7.778 -13.037 1068 HD23 LEU 345 3HD2 LEU 345 4.977 8.455 -11.539 1069 H VAL 346 H VAL 346 1.327 5.248 -8.544 1070 HA VAL 346 HA VAL 346 -0.838 4.760 -10.535 1071 HB VAL 346 HB VAL 346 -0.579 3.605 -7.748 1072 HG11 VAL 346 1HG1 VAL 346 -2.794 2.564 -8.105 1073 HG12 VAL 346 2HG1 VAL 346 -2.878 4.319 -7.939 1074 HG13 VAL 346 3HG1 VAL 346 -2.998 3.578 -9.556 1075 HG21 VAL 346 1HG2 VAL 346 -0.798 1.435 -8.889 1076 HG22 VAL 346 2HG2 VAL 346 -1.150 2.230 -10.434 1077 HG23 VAL 346 3HG2 VAL 346 0.461 2.328 -9.754 1078 H SER 347 H SER 347 -2.576 6.213 -10.486 1079 HA SER 347 HA SER 347 -3.157 7.766 -8.136 1080 HB2 SER 347 1HB SER 347 -2.771 9.984 -9.418 1081 HB3 SER 347 2HB SER 347 -1.388 9.180 -8.679 1082 HG SER 347 HG SER 347 -2.155 9.078 -11.418 1083 H GLU 348 H GLU 348 -5.048 9.273 -8.511 1084 HA GLU 348 HA GLU 348 -6.490 9.104 -10.963 1085 HB2 GLU 348 1HB GLU 348 -7.393 7.045 -9.994 1086 HB3 GLU 348 2HB GLU 348 -7.777 7.884 -8.464 1087 HG2 GLU 348 1HG GLU 348 -9.392 9.287 -9.519 1088 HG3 GLU 348 2HG GLU 348 -8.817 8.893 -11.136 Start of MODEL 7 1 H1 MET 1 H MET 1 1.405 -9.807 11.364 2 HA MET 1 HA MET 1 3.644 -10.168 10.717 3 HB2 MET 1 1HB MET 1 2.464 -12.681 11.942 4 HB3 MET 1 2HB MET 1 4.202 -12.365 11.833 5 HG2 MET 1 1HG MET 1 2.587 -10.207 13.136 6 HG3 MET 1 2HG MET 1 2.653 -11.749 13.971 7 HE1 MET 1 1HE MET 1 6.331 -9.044 13.166 8 HE2 MET 1 2HE MET 1 5.444 -9.778 11.817 9 HE3 MET 1 3HE MET 1 4.649 -8.577 12.859 10 H GLY 2 H GLY 2 5.252 -11.835 9.682 11 HA2 GLY 2 1HA GLY 2 5.794 -13.317 8.002 12 HA3 GLY 2 2HA GLY 2 4.090 -13.520 7.592 13 H TRP 3 H TRP 3 6.235 -10.621 7.771 14 HA TRP 3 HA TRP 3 5.133 -9.552 5.281 15 HB2 TRP 3 2HB TRP 3 7.260 -8.646 7.258 16 HB3 TRP 3 3HB TRP 3 7.010 -7.821 5.726 17 HD1 TRP 3 HD1 TRP 3 6.400 -6.984 8.998 18 HE1 TRP 3 1HE TRP 3 4.384 -5.505 9.310 19 HE3 TRP 3 3HE TRP 3 3.995 -7.938 4.557 20 HZ2 TRP 3 2HZ TRP 3 1.750 -5.215 8.044 21 HZ3 TRP 3 3HZ TRP 3 1.771 -7.046 4.153 22 HH2 TRP 3 HH2 TRP 3 0.613 -5.647 5.829 23 H MET 4 H MET 4 5.844 -10.290 3.334 24 HA MET 4 HA MET 4 8.099 -11.974 2.967 25 HB2 MET 4 1HB MET 4 6.343 -10.333 1.143 26 HB3 MET 4 2HB MET 4 7.871 -10.929 0.494 27 HG2 MET 4 1HG MET 4 5.858 -12.752 1.842 28 HG3 MET 4 2HG MET 4 5.909 -12.429 0.100 29 HE1 MET 4 1HE MET 4 7.339 -16.094 0.313 30 HE2 MET 4 2HE MET 4 6.014 -15.375 1.250 31 HE3 MET 4 3HE MET 4 6.156 -15.053 -0.498 32 H PHE 5 H PHE 5 7.851 -8.420 2.463 33 HA PHE 5 HA PHE 5 10.478 -8.014 1.561 34 HB2 PHE 5 2HB PHE 5 10.162 -5.688 2.482 35 HB3 PHE 5 3HB PHE 5 8.964 -6.232 1.320 36 HD1 PHE 5 1HD PHE 5 9.568 -5.323 4.878 37 HD2 PHE 5 2HD PHE 5 6.619 -6.460 1.933 38 HE1 PHE 5 1HE PHE 5 7.776 -4.570 6.388 39 HE2 PHE 5 2HE PHE 5 4.825 -5.654 3.445 40 HZ PHE 5 HZ PHE 5 5.400 -4.693 5.666 41 H LYS 6 H LYS 6 9.286 -7.955 4.939 42 HA LYS 6 HA LYS 6 11.740 -7.193 6.151 43 HB2 LYS 6 1HB LYS 6 9.392 -7.131 7.112 44 HB3 LYS 6 2HB LYS 6 9.481 -8.892 7.264 45 HG2 LYS 6 1HG LYS 6 11.435 -8.606 8.810 46 HG3 LYS 6 2HG LYS 6 11.189 -6.845 8.730 47 HD2 LYS 6 1HD LYS 6 8.852 -7.182 9.571 48 HD3 LYS 6 2HD LYS 6 9.147 -8.930 9.642 49 HE2 LYS 6 1HE LYS 6 11.100 -8.416 11.205 50 HE3 LYS 6 2HE LYS 6 10.505 -6.753 11.281 51 HZ1 LYS 6 1HZ LYS 6 8.356 -7.735 12.063 52 HZ2 LYS 6 2HZ LYS 6 9.616 -7.982 13.097 53 HZ3 LYS 6 3HZ LYS 6 9.140 -9.211 12.161 54 H GLU 7 H GLU 7 10.404 -10.411 5.334 55 HA GLU 7 HA GLU 7 12.430 -11.858 6.735 56 HB2 GLU 7 1HB GLU 7 10.145 -12.707 5.966 57 HB3 GLU 7 2HB GLU 7 10.775 -12.759 4.321 58 HG2 GLU 7 1HG GLU 7 10.909 -14.974 5.383 59 HG3 GLU 7 2HG GLU 7 12.533 -14.378 5.032 60 H ASP 8 H ASP 8 12.094 -10.816 3.319 61 HA ASP 8 HA ASP 8 14.675 -12.021 2.677 62 HB2 ASP 8 1HB ASP 8 12.368 -10.937 1.144 63 HB3 ASP 8 2HB ASP 8 13.917 -10.819 0.365 64 H HIS 9 H HIS 9 13.583 -8.602 2.099 65 HA HIS 9 HA HIS 9 16.039 -7.634 3.308 66 HB2 HIS 9 1HB HIS 9 16.893 -6.571 1.256 67 HB3 HIS 9 2HB HIS 9 16.929 -8.324 1.133 68 HD1 HIS 9 HD1 HIS 9 14.235 -9.111 -0.131 69 HD2 HIS 9 HD2 HIS 9 16.484 -5.713 -1.165 70 HE1 HIS 9 HE1 HIS 9 13.354 -8.360 -2.359 71 H SER 10 H SER 10 15.288 -5.767 4.364 72 HA SER 10 HA SER 10 13.210 -4.211 2.905 73 HB2 SER 10 1HB SER 10 11.981 -3.832 4.914 74 HB3 SER 10 2HB SER 10 11.987 -5.533 4.478 75 HG SER 10 HG SER 10 12.382 -4.769 6.788 76 H LEU 11 H LEU 11 15.036 -3.839 5.966 77 HA LEU 11 HA LEU 11 15.232 -1.168 6.010 78 HB2 LEU 11 1HB LEU 11 16.062 -2.871 7.677 79 HB3 LEU 11 2HB LEU 11 17.551 -2.982 6.753 80 HG LEU 11 HG LEU 11 18.092 -0.653 7.283 81 HD11 LEU 11 1HD1 LEU 11 16.721 0.650 8.930 82 HD12 LEU 11 2HD1 LEU 11 15.401 -0.520 8.670 83 HD13 LEU 11 3HD1 LEU 11 15.989 0.476 7.337 84 HD21 LEU 11 1HD2 LEU 11 18.389 -0.896 9.722 85 HD22 LEU 11 2HD2 LEU 11 18.716 -2.420 8.892 86 HD23 LEU 11 3HD2 LEU 11 17.187 -2.207 9.741 87 H GLU 12 H GLU 12 17.623 -3.117 4.143 88 HA GLU 12 HA GLU 12 19.137 -0.778 3.302 89 HB2 GLU 12 1HB GLU 12 20.038 -3.073 3.360 90 HB3 GLU 12 2HB GLU 12 18.936 -3.531 2.054 91 HG2 GLU 12 1HG GLU 12 20.028 -1.762 0.610 92 HG3 GLU 12 2HG GLU 12 21.189 -1.487 1.926 93 H HIS 13 H HIS 13 16.960 -2.895 1.445 94 HA HIS 13 HA HIS 13 16.818 -1.417 -0.902 95 HB2 HIS 13 1HB HIS 13 15.994 -3.712 -0.580 96 HB3 HIS 13 2HB HIS 13 14.679 -3.143 0.433 97 HD1 HIS 13 HD1 HIS 13 14.835 -4.519 -2.809 98 HD2 HIS 13 HD2 HIS 13 13.275 -0.944 -1.211 99 HE1 HIS 13 HE1 HIS 13 13.083 -3.696 -4.436 100 H ARG 14 H ARG 14 14.626 -1.253 1.934 101 HA ARG 14 HA ARG 14 12.954 0.764 0.874 102 HB2 ARG 14 1HB ARG 14 13.597 0.057 3.744 103 HB3 ARG 14 2HB ARG 14 12.407 1.271 3.284 104 HG2 ARG 14 1HG ARG 14 12.232 -1.724 2.816 105 HG3 ARG 14 2HG ARG 14 11.266 -0.698 3.857 106 HD2 ARG 14 1HD ARG 14 9.778 -0.901 2.138 107 HD3 ARG 14 2HD ARG 14 10.630 0.523 1.596 108 HE ARG 14 HE ARG 14 11.734 -0.770 -0.066 109 HH11 ARG 14 1HH1 ARG 14 10.027 -3.055 2.163 110 HH12 ARG 14 2HH1 ARG 14 10.401 -4.342 1.053 111 HH21 ARG 14 1HH2 ARG 14 11.665 -2.724 -1.629 112 HH22 ARG 14 2HH2 ARG 14 11.049 -4.140 -0.907 113 H CYS 15 H CYS 15 15.959 1.142 2.965 114 HA CYS 15 HA CYS 15 15.631 3.937 3.034 115 HB2 CYS 15 2HB CYS 15 17.295 2.351 4.308 116 HB3 CYS 15 3HB CYS 15 18.394 2.716 2.956 117 HG CYS 15 HG CYS 15 16.787 4.642 5.092 118 H VAL 16 H VAL 16 17.360 1.943 0.559 119 HA VAL 16 HA VAL 16 18.392 4.159 -0.911 120 HB VAL 16 HB VAL 16 17.677 1.356 -1.893 121 HG11 VAL 16 1HG1 VAL 16 19.418 1.831 -3.661 122 HG12 VAL 16 2HG1 VAL 16 17.973 2.837 -3.817 123 HG13 VAL 16 3HG1 VAL 16 19.464 3.521 -3.122 124 HG21 VAL 16 1HG2 VAL 16 19.958 0.744 -1.549 125 HG22 VAL 16 2HG2 VAL 16 20.430 2.396 -1.119 126 HG23 VAL 16 3HG2 VAL 16 19.401 1.435 -0.031 127 H GLU 17 H GLU 17 15.431 2.194 -1.338 128 HA GLU 17 HA GLU 17 14.521 3.725 -3.573 129 HB2 GLU 17 1HB GLU 17 13.378 1.564 -1.845 130 HB3 GLU 17 2HB GLU 17 12.246 2.589 -2.666 131 HG2 GLU 17 1HG GLU 17 12.868 0.581 -4.007 132 HG3 GLU 17 2HG GLU 17 13.090 2.152 -4.805 133 H SER 18 H SER 18 13.894 4.156 -0.012 134 HA SER 18 HA SER 18 11.884 6.124 -0.284 135 HB2 SER 18 1HB SER 18 14.123 5.827 1.778 136 HB3 SER 18 2HB SER 18 12.810 6.983 1.898 137 HG SER 18 HG SER 18 12.474 4.955 3.011 138 H ALA 19 H ALA 19 15.481 6.401 -0.207 139 HA ALA 19 HA ALA 19 15.600 9.189 -0.542 140 HB1 ALA 19 1HB ALA 19 17.462 7.602 0.061 141 HB2 ALA 19 2HB ALA 19 17.561 7.120 -1.639 142 HB3 ALA 19 3HB ALA 19 17.891 8.790 -1.164 143 H LYS 20 H LYS 20 15.755 6.644 -3.125 144 HA LYS 20 HA LYS 20 15.908 8.515 -5.286 145 HB2 LYS 20 1HB LYS 20 14.928 5.627 -5.180 146 HB3 LYS 20 2HB LYS 20 15.052 6.558 -6.677 147 HG2 LYS 20 1HG LYS 20 17.463 6.898 -6.310 148 HG3 LYS 20 2HG LYS 20 17.382 5.939 -4.817 149 HD2 LYS 20 1HD LYS 20 16.505 4.017 -6.191 150 HD3 LYS 20 2HD LYS 20 16.791 4.956 -7.656 151 HE2 LYS 20 1HE LYS 20 18.909 4.174 -5.596 152 HE3 LYS 20 2HE LYS 20 18.597 3.297 -7.101 153 HZ1 LYS 20 1HZ LYS 20 20.471 4.829 -7.215 154 HZ2 LYS 20 2HZ LYS 20 19.490 6.119 -6.977 155 HZ3 LYS 20 3HZ LYS 20 19.331 5.214 -8.336 156 H ILE 21 H ILE 21 13.048 6.751 -4.005 157 HA ILE 21 HA ILE 21 11.163 7.867 -5.762 158 HB ILE 21 HB ILE 21 10.929 6.829 -2.927 159 HG12 ILE 21 1HG1 ILE 21 10.050 5.437 -5.507 160 HG13 ILE 21 2HG1 ILE 21 11.690 5.288 -4.918 161 HG21 ILE 21 1HG2 ILE 21 8.956 8.229 -3.326 162 HG22 ILE 21 2HG2 ILE 21 8.622 7.355 -4.831 163 HG23 ILE 21 3HG2 ILE 21 8.518 6.536 -3.256 164 HD11 ILE 21 1HD1 ILE 21 10.498 3.371 -4.173 165 HD12 ILE 21 2HD1 ILE 21 10.817 4.379 -2.741 166 HD13 ILE 21 3HD1 ILE 21 9.212 4.338 -3.451 167 H ARG 22 H ARG 22 12.286 9.118 -2.502 168 HA ARG 22 HA ARG 22 10.421 11.309 -2.664 169 HB2 ARG 22 1HB ARG 22 12.861 10.845 -0.912 170 HB3 ARG 22 2HB ARG 22 11.838 12.269 -0.811 171 HG2 ARG 22 1HG ARG 22 9.990 10.100 -0.793 172 HG3 ARG 22 2HG ARG 22 11.330 9.568 0.217 173 HD2 ARG 22 1HD ARG 22 9.744 10.674 1.618 174 HD3 ARG 22 2HD ARG 22 11.174 11.682 1.502 175 HE ARG 22 HE ARG 22 8.712 12.131 -0.134 176 HH11 ARG 22 1HH1 ARG 22 11.028 13.410 2.283 177 HH12 ARG 22 2HH1 ARG 22 10.088 14.852 2.508 178 HH21 ARG 22 1HH2 ARG 22 7.840 14.303 -0.137 179 HH22 ARG 22 2HH2 ARG 22 8.397 15.410 1.064 180 H ALA 23 H ALA 23 13.690 10.870 -3.952 181 HA ALA 23 HA ALA 23 14.091 13.729 -4.372 182 HB1 ALA 23 1HB ALA 23 16.014 12.199 -4.186 183 HB2 ALA 23 2HB ALA 23 15.478 11.310 -5.629 184 HB3 ALA 23 3HB ALA 23 15.988 13.008 -5.753 185 H LYS 24 H LYS 24 13.055 10.939 -6.386 186 HA LYS 24 HA LYS 24 12.655 12.598 -8.769 187 HB2 LYS 24 1HB LYS 24 11.911 9.718 -8.051 188 HB3 LYS 24 2HB LYS 24 11.326 10.510 -9.508 189 HG2 LYS 24 1HG LYS 24 13.157 9.337 -10.241 190 HG3 LYS 24 2HG LYS 24 13.702 11.012 -10.164 191 HD2 LYS 24 1HD LYS 24 14.813 10.415 -7.924 192 HD3 LYS 24 2HD LYS 24 14.316 8.739 -8.221 193 HE2 LYS 24 1HE LYS 24 16.604 8.961 -8.891 194 HE3 LYS 24 2HE LYS 24 15.628 8.777 -10.361 195 HZ1 LYS 24 1HZ LYS 24 17.262 10.543 -10.575 196 HZ2 LYS 24 2HZ LYS 24 16.681 11.314 -9.254 197 HZ3 LYS 24 3HZ LYS 24 15.754 11.213 -10.598 198 H TYR 25 H TYR 25 10.482 11.123 -6.317 199 HA TYR 25 HA TYR 25 8.301 12.916 -7.236 200 HB2 TYR 25 2HB TYR 25 7.899 10.209 -5.970 201 HB3 TYR 25 3HB TYR 25 6.781 11.200 -6.910 202 HD1 TYR 25 1HD TYR 25 8.937 8.396 -6.965 203 HD2 TYR 25 2HD TYR 25 7.686 11.717 -9.424 204 HE1 TYR 25 1HE TYR 25 9.688 7.178 -8.975 205 HE2 TYR 25 2HE TYR 25 8.503 10.550 -11.416 206 HH TYR 25 HH TYR 25 9.344 7.205 -11.469 207 HA PRO 26 HA PRO 26 9.382 13.837 -2.826 208 HB2 PRO 26 2HB PRO 26 9.023 16.554 -2.897 209 HB3 PRO 26 3HB PRO 26 10.539 15.759 -3.430 210 HG2 PRO 26 2HG PRO 26 8.236 16.691 -5.126 211 HG3 PRO 26 3HG PRO 26 9.977 16.967 -5.405 212 HD2 PRO 26 2HD PRO 26 8.586 14.946 -6.634 213 HD3 PRO 26 3HD PRO 26 10.309 14.739 -6.149 214 H ASP 27 H ASP 27 6.613 14.477 -4.913 215 HA ASP 27 HA ASP 27 4.896 14.830 -2.538 216 HB2 ASP 27 1HB ASP 27 4.936 16.240 -4.929 217 HB3 ASP 27 2HB ASP 27 3.548 15.202 -5.122 218 H ARG 28 H ARG 28 6.048 12.188 -3.625 219 HA ARG 28 HA ARG 28 3.372 10.831 -3.611 220 HB2 ARG 28 1HB ARG 28 5.707 9.875 -5.294 221 HB3 ARG 28 2HB ARG 28 4.134 9.087 -5.094 222 HG2 ARG 28 1HG ARG 28 3.024 11.173 -5.970 223 HG3 ARG 28 2HG ARG 28 4.602 11.841 -6.329 224 HD2 ARG 28 1HD ARG 28 4.972 10.164 -8.051 225 HD3 ARG 28 2HD ARG 28 3.543 9.258 -7.518 226 HE ARG 28 HE ARG 28 2.161 10.683 -8.649 227 HH11 ARG 28 1HH1 ARG 28 5.302 12.416 -8.447 228 HH12 ARG 28 2HH1 ARG 28 4.754 13.647 -9.535 229 HH21 ARG 28 1HH2 ARG 28 1.458 12.447 -9.743 230 HH22 ARG 28 2HH2 ARG 28 2.471 13.824 -10.053 231 H VAL 29 H VAL 29 3.319 8.768 -2.510 232 HA VAL 29 HA VAL 29 5.487 8.601 -0.527 233 HB VAL 29 HB VAL 29 3.817 7.889 1.115 234 HG11 VAL 29 1HG1 VAL 29 4.700 10.184 1.065 235 HG12 VAL 29 2HG1 VAL 29 3.398 10.677 -0.044 236 HG13 VAL 29 3HG1 VAL 29 3.022 10.170 1.610 237 HG21 VAL 29 1HG2 VAL 29 1.465 8.443 0.865 238 HG22 VAL 29 2HG2 VAL 29 1.710 9.001 -0.794 239 HG23 VAL 29 3HG2 VAL 29 1.919 7.278 -0.378 240 HA PRO 30 HA PRO 30 5.755 4.461 -2.133 241 HB2 PRO 30 2HB PRO 30 7.732 3.497 -0.548 242 HB3 PRO 30 3HB PRO 30 8.010 4.840 -1.693 243 HG2 PRO 30 2HG PRO 30 7.539 5.021 1.282 244 HG3 PRO 30 3HG PRO 30 8.739 5.890 0.288 245 HD2 PRO 30 2HD PRO 30 6.270 6.921 1.039 246 HD3 PRO 30 3HD PRO 30 7.211 7.442 -0.390 247 H VAL 31 H VAL 31 4.000 3.150 -1.825 248 HA VAL 31 HA VAL 31 3.513 2.076 0.891 249 HB VAL 31 HB VAL 31 1.624 2.351 -1.490 250 HG11 VAL 31 1HG1 VAL 31 0.868 0.538 -0.085 251 HG12 VAL 31 2HG1 VAL 31 1.257 1.425 1.398 252 HG13 VAL 31 3HG1 VAL 31 -0.095 1.938 0.386 253 HG21 VAL 31 1HG2 VAL 31 0.505 4.126 -0.196 254 HG22 VAL 31 2HG2 VAL 31 1.807 4.076 1.001 255 HG23 VAL 31 3HG2 VAL 31 2.145 4.584 -0.654 256 H ILE 32 H ILE 32 3.064 -0.128 1.101 257 HA ILE 32 HA ILE 32 3.846 -1.955 -1.115 258 HB ILE 32 HB ILE 32 4.456 -2.112 1.865 259 HG12 ILE 32 1HG1 ILE 32 6.046 -0.681 0.568 260 HG13 ILE 32 2HG1 ILE 32 6.780 -2.070 1.358 261 HG21 ILE 32 1HG2 ILE 32 3.869 -4.327 1.218 262 HG22 ILE 32 2HG2 ILE 32 4.786 -4.212 -0.297 263 HG23 ILE 32 3HG2 ILE 32 5.636 -4.270 1.259 264 HD11 ILE 32 1HD1 ILE 32 6.114 -1.921 -1.605 265 HD12 ILE 32 2HD1 ILE 32 7.711 -1.666 -0.865 266 HD13 ILE 32 3HD1 ILE 32 6.951 -3.257 -0.775 267 H VAL 33 H VAL 33 2.041 -3.161 -1.641 268 HA VAL 33 HA VAL 33 -0.120 -3.416 0.370 269 HB VAL 33 HB VAL 33 -0.225 -3.314 -2.676 270 HG11 VAL 33 1HG1 VAL 33 -2.698 -3.451 -2.349 271 HG12 VAL 33 2HG1 VAL 33 -1.845 -4.932 -1.931 272 HG13 VAL 33 3HG1 VAL 33 -2.401 -3.872 -0.630 273 HG21 VAL 33 1HG2 VAL 33 -1.265 -1.406 -0.535 274 HG22 VAL 33 2HG2 VAL 33 0.018 -1.090 -1.721 275 HG23 VAL 33 3HG2 VAL 33 -1.640 -1.302 -2.278 276 H GLU 34 H GLU 34 -0.556 -5.495 1.024 277 HA GLU 34 HA GLU 34 0.508 -7.774 -0.580 278 HB2 GLU 34 1HB GLU 34 0.612 -7.214 2.397 279 HB3 GLU 34 2HB GLU 34 0.819 -8.829 1.744 280 HG2 GLU 34 1HG GLU 34 2.647 -6.983 0.390 281 HG3 GLU 34 2HG GLU 34 2.842 -6.868 2.131 282 H LYS 35 H LYS 35 -0.775 -9.660 -0.503 283 HA LYS 35 HA LYS 35 -3.624 -9.216 0.057 284 HB2 LYS 35 1HB LYS 35 -2.803 -10.429 -1.951 285 HB3 LYS 35 2HB LYS 35 -2.093 -11.684 -0.944 286 HG2 LYS 35 1HG LYS 35 -5.023 -11.090 -0.600 287 HG3 LYS 35 2HG LYS 35 -4.556 -11.842 -2.102 288 HD2 LYS 35 1HD LYS 35 -3.673 -13.098 0.524 289 HD3 LYS 35 2HD LYS 35 -5.328 -13.287 -0.083 290 HE2 LYS 35 1HE LYS 35 -4.402 -15.165 -0.954 291 HE3 LYS 35 2HE LYS 35 -4.204 -14.080 -2.304 292 HZ1 LYS 35 1HZ LYS 35 -2.043 -14.590 -0.327 293 HZ2 LYS 35 2HZ LYS 35 -1.914 -13.841 -1.806 294 HZ3 LYS 35 3HZ LYS 35 -2.214 -15.417 -1.733 295 H VAL 36 H VAL 36 -4.732 -9.964 1.933 296 HA VAL 36 HA VAL 36 -3.140 -10.880 4.171 297 HB VAL 36 HB VAL 36 -6.142 -10.684 3.697 298 HG11 VAL 36 1HG1 VAL 36 -6.424 -11.052 6.156 299 HG12 VAL 36 2HG1 VAL 36 -5.850 -12.497 5.326 300 HG13 VAL 36 3HG1 VAL 36 -4.711 -11.517 6.265 301 HG21 VAL 36 1HG2 VAL 36 -4.859 -8.542 3.978 302 HG22 VAL 36 2HG2 VAL 36 -5.993 -8.821 5.307 303 HG23 VAL 36 3HG2 VAL 36 -4.260 -9.136 5.532 304 H SER 37 H SER 37 -2.228 -12.897 4.202 305 HA SER 37 HA SER 37 -2.929 -15.011 2.500 306 HB2 SER 37 1HB SER 37 -1.580 -15.291 5.211 307 HB3 SER 37 2HB SER 37 -1.340 -16.264 3.741 308 HG SER 37 HG SER 37 -0.594 -14.285 2.742 309 H GLY 38 H GLY 38 -4.613 -16.375 2.573 310 HA2 GLY 38 1HA GLY 38 -6.001 -17.940 3.775 311 HA3 GLY 38 2HA GLY 38 -6.134 -16.793 5.107 312 H SER 39 H SER 39 -6.341 -14.574 2.814 313 HA SER 39 HA SER 39 -9.229 -14.509 2.798 314 HB2 SER 39 1HB SER 39 -7.590 -12.521 2.827 315 HB3 SER 39 2HB SER 39 -7.358 -12.820 1.094 316 HG SER 39 HG SER 39 -9.432 -11.705 2.490 317 H GLN 40 H GLN 40 -10.389 -14.215 0.633 318 HA GLN 40 HA GLN 40 -9.580 -16.397 -1.231 319 HB2 GLN 40 1HB GLN 40 -11.768 -16.340 0.071 320 HB3 GLN 40 2HB GLN 40 -12.286 -15.033 -0.991 321 HG2 GLN 40 1HG GLN 40 -12.293 -16.461 -2.910 322 HG3 GLN 40 2HG GLN 40 -11.303 -17.688 -2.114 323 HE21 GLN 40 1HE2 GLN 40 -14.068 -18.847 0.012 324 HE22 GLN 40 2HE2 GLN 40 -12.413 -18.287 0.156 325 H ILE 41 H ILE 41 -9.578 -13.022 -1.132 326 HA ILE 41 HA ILE 41 -10.273 -12.521 -3.906 327 HB ILE 41 HB ILE 41 -10.566 -10.839 -2.194 328 HG12 ILE 41 1HG1 ILE 41 -9.649 -8.839 -3.212 329 HG13 ILE 41 2HG1 ILE 41 -8.570 -9.797 -4.217 330 HG21 ILE 41 1HG2 ILE 41 -8.635 -9.598 -1.200 331 HG22 ILE 41 2HG2 ILE 41 -8.589 -11.307 -0.746 332 HG23 ILE 41 3HG2 ILE 41 -7.512 -10.701 -2.012 333 HD11 ILE 41 1HD1 ILE 41 -10.633 -9.027 -5.390 334 HD12 ILE 41 2HD1 ILE 41 -10.516 -10.796 -5.375 335 HD13 ILE 41 3HD1 ILE 41 -11.621 -9.968 -4.255 336 H VAL 42 H VAL 42 -8.761 -11.672 -5.535 337 HA VAL 42 HA VAL 42 -6.708 -13.449 -6.147 338 HB VAL 42 HB VAL 42 -6.169 -11.814 -7.942 339 HG11 VAL 42 1HG1 VAL 42 -8.302 -11.852 -9.088 340 HG12 VAL 42 2HG1 VAL 42 -8.173 -13.343 -8.146 341 HG13 VAL 42 3HG1 VAL 42 -9.196 -12.016 -7.565 342 HG21 VAL 42 1HG2 VAL 42 -6.378 -9.705 -6.757 343 HG22 VAL 42 2HG2 VAL 42 -7.380 -9.745 -8.214 344 HG23 VAL 42 3HG2 VAL 42 -8.139 -9.927 -6.621 345 H ASP 43 H ASP 43 -4.449 -13.257 -6.181 346 HA ASP 43 HA ASP 43 -3.244 -11.949 -3.903 347 HB2 ASP 43 1HB ASP 43 -2.740 -14.254 -4.799 348 HB3 ASP 43 2HB ASP 43 -1.984 -13.497 -6.202 349 H ILE 44 H ILE 44 -1.014 -10.746 -4.268 350 HA ILE 44 HA ILE 44 -1.179 -8.999 -6.630 351 HB ILE 44 HB ILE 44 -2.166 -7.719 -4.828 352 HG12 ILE 44 1HG1 ILE 44 0.581 -6.547 -5.285 353 HG13 ILE 44 2HG1 ILE 44 -0.514 -6.808 -6.639 354 HG21 ILE 44 1HG2 ILE 44 -0.814 -6.979 -2.869 355 HG22 ILE 44 2HG2 ILE 44 -1.032 -8.746 -2.860 356 HG23 ILE 44 3HG2 ILE 44 0.505 -8.021 -3.367 357 HD11 ILE 44 1HD1 ILE 44 -2.163 -5.328 -5.708 358 HD12 ILE 44 2HD1 ILE 44 -1.220 -5.135 -4.207 359 HD13 ILE 44 3HD1 ILE 44 -0.592 -4.505 -5.737 360 H ASP 45 H ASP 45 0.629 -8.588 -7.630 361 HA ASP 45 HA ASP 45 2.978 -10.125 -7.229 362 HB2 ASP 45 1HB ASP 45 2.081 -7.810 -8.950 363 HB3 ASP 45 2HB ASP 45 3.816 -8.022 -8.756 364 H LYS 46 H LYS 46 5.055 -9.433 -6.545 365 HA LYS 46 HA LYS 46 4.988 -7.562 -4.320 366 HB2 LYS 46 1HB LYS 46 7.196 -9.247 -5.572 367 HB3 LYS 46 2HB LYS 46 7.487 -8.084 -4.268 368 HG2 LYS 46 1HG LYS 46 7.119 -9.982 -3.013 369 HG3 LYS 46 2HG LYS 46 5.547 -9.249 -3.020 370 HD2 LYS 46 1HD LYS 46 4.830 -10.840 -4.820 371 HD3 LYS 46 2HD LYS 46 6.448 -11.570 -4.807 372 HE2 LYS 46 1HE LYS 46 6.095 -12.243 -2.427 373 HE3 LYS 46 2HE LYS 46 4.509 -11.456 -2.456 374 HZ1 LYS 46 1HZ LYS 46 3.977 -13.053 -4.326 375 HZ2 LYS 46 2HZ LYS 46 4.119 -13.701 -2.798 376 HZ3 LYS 46 3HZ LYS 46 5.311 -13.908 -3.901 377 H ARG 47 H ARG 47 4.425 -5.612 -5.091 378 HA ARG 47 HA ARG 47 6.418 -4.116 -6.691 379 HB2 ARG 47 1HB ARG 47 3.378 -4.281 -6.910 380 HB3 ARG 47 2HB ARG 47 4.254 -2.882 -7.515 381 HG2 ARG 47 1HG ARG 47 4.778 -5.749 -8.469 382 HG3 ARG 47 2HG ARG 47 3.754 -4.553 -9.263 383 HD2 ARG 47 1HD ARG 47 5.772 -2.992 -9.159 384 HD3 ARG 47 2HD ARG 47 6.712 -4.466 -8.914 385 HE ARG 47 HE ARG 47 6.525 -4.951 -11.101 386 HH11 ARG 47 1HH1 ARG 47 4.045 -2.487 -10.603 387 HH12 ARG 47 2HH1 ARG 47 4.304 -1.765 -12.160 388 HH21 ARG 47 1HH2 ARG 47 6.582 -4.330 -13.135 389 HH22 ARG 47 2HH2 ARG 47 5.785 -2.899 -13.686 390 H LYS 48 H LYS 48 6.267 -1.794 -6.319 391 HA LYS 48 HA LYS 48 5.409 -1.052 -3.548 392 HB2 LYS 48 1HB LYS 48 7.505 0.369 -5.235 393 HB3 LYS 48 2HB LYS 48 7.196 0.535 -3.515 394 HG2 LYS 48 1HG LYS 48 8.192 -1.667 -3.109 395 HG3 LYS 48 2HG LYS 48 8.252 -2.017 -4.818 396 HD2 LYS 48 1HD LYS 48 10.454 -1.429 -3.961 397 HD3 LYS 48 2HD LYS 48 9.919 -0.355 -5.224 398 HE2 LYS 48 1HE LYS 48 11.049 0.850 -3.411 399 HE3 LYS 48 2HE LYS 48 9.380 1.399 -3.578 400 HZ1 LYS 48 1HZ LYS 48 10.251 -0.635 -1.641 401 HZ2 LYS 48 2HZ LYS 48 8.802 0.146 -1.657 402 HZ3 LYS 48 3HZ LYS 48 10.187 0.969 -1.282 403 H TYR 49 H TYR 49 3.460 0.047 -3.764 404 HA TYR 49 HA TYR 49 2.823 1.406 -6.316 405 HB2 TYR 49 2HB TYR 49 1.320 0.754 -3.758 406 HB3 TYR 49 3HB TYR 49 0.735 1.984 -4.860 407 HD1 TYR 49 1HD TYR 49 2.307 -1.229 -6.100 408 HD2 TYR 49 2HD TYR 49 -1.322 0.990 -5.369 409 HE1 TYR 49 1HE TYR 49 1.033 -2.892 -7.384 410 HE2 TYR 49 2HE TYR 49 -2.610 -0.687 -6.630 411 HH TYR 49 HH TYR 49 -1.103 -3.567 -8.155 412 H LEU 50 H LEU 50 3.304 3.533 -6.620 413 HA LEU 50 HA LEU 50 4.009 5.237 -4.284 414 HB2 LEU 50 1HB LEU 50 4.389 5.715 -7.285 415 HB3 LEU 50 2HB LEU 50 4.836 6.797 -5.977 416 HG LEU 50 HG LEU 50 6.102 4.136 -6.720 417 HD11 LEU 50 1HD1 LEU 50 8.122 5.733 -6.820 418 HD12 LEU 50 2HD1 LEU 50 6.968 7.059 -6.652 419 HD13 LEU 50 3HD1 LEU 50 6.876 5.951 -8.049 420 HD21 LEU 50 1HD2 LEU 50 7.654 4.553 -4.833 421 HD22 LEU 50 2HD2 LEU 50 6.029 4.092 -4.330 422 HD23 LEU 50 3HD2 LEU 50 6.529 5.796 -4.215 423 H VAL 51 H VAL 51 2.187 6.290 -3.503 424 HA VAL 51 HA VAL 51 0.232 7.179 -5.564 425 HB VAL 51 HB VAL 51 -1.366 7.177 -3.737 426 HG11 VAL 51 1HG1 VAL 51 -1.157 5.257 -5.294 427 HG12 VAL 51 2HG1 VAL 51 -0.049 4.463 -4.149 428 HG13 VAL 51 3HG1 VAL 51 -1.733 4.781 -3.696 429 HG21 VAL 51 1HG2 VAL 51 -0.020 7.365 -1.746 430 HG22 VAL 51 2HG2 VAL 51 -0.959 5.871 -1.675 431 HG23 VAL 51 3HG2 VAL 51 0.766 5.803 -2.077 432 HA PRO 52 HA PRO 52 1.604 11.243 -4.507 433 HB2 PRO 52 2HB PRO 52 -0.587 12.783 -5.205 434 HB3 PRO 52 3HB PRO 52 0.589 12.094 -6.372 435 HG2 PRO 52 2HG PRO 52 -2.106 11.101 -5.555 436 HG3 PRO 52 3HG PRO 52 -1.445 11.151 -7.161 437 HD2 PRO 52 2HD PRO 52 -1.484 8.853 -5.630 438 HD3 PRO 52 3HD PRO 52 -0.140 9.185 -6.768 439 H SER 53 H SER 53 1.739 12.398 -2.605 440 HA SER 53 HA SER 53 0.195 11.642 -0.369 441 HB2 SER 53 1HB SER 53 1.241 14.061 0.375 442 HB3 SER 53 2HB SER 53 2.063 12.511 0.468 443 HG SER 53 HG SER 53 2.337 14.494 -1.559 444 H ASP 54 H ASP 54 -0.639 13.738 -2.942 445 HA ASP 54 HA ASP 54 -2.334 15.540 -1.452 446 HB2 ASP 54 1HB ASP 54 -1.079 16.084 -3.560 447 HB3 ASP 54 2HB ASP 54 -2.192 15.028 -4.445 448 H ILE 55 H ILE 55 -2.888 12.423 -3.165 449 HA ILE 55 HA ILE 55 -5.767 12.879 -3.253 450 HB ILE 55 HB ILE 55 -5.912 10.516 -3.815 451 HG12 ILE 55 1HG1 ILE 55 -2.998 10.052 -4.080 452 HG13 ILE 55 2HG1 ILE 55 -3.599 10.062 -2.455 453 HG21 ILE 55 1HG2 ILE 55 -4.687 10.645 -5.995 454 HG22 ILE 55 2HG2 ILE 55 -5.728 12.021 -5.601 455 HG23 ILE 55 3HG2 ILE 55 -3.983 12.180 -5.426 456 HD11 ILE 55 1HD1 ILE 55 -3.568 7.803 -3.503 457 HD12 ILE 55 2HD1 ILE 55 -5.190 8.289 -2.996 458 HD13 ILE 55 3HD1 ILE 55 -4.738 8.361 -4.717 459 H THR 56 H THR 56 -7.287 11.197 -2.135 460 HA THR 56 HA THR 56 -6.531 11.023 0.710 461 HB THR 56 HB THR 56 -9.067 10.878 0.981 462 HG1 THR 56 1HG THR 56 -9.927 12.048 -1.100 463 HG21 THR 56 1HG2 THR 56 -9.460 13.289 0.636 464 HG22 THR 56 2HG2 THR 56 -7.950 13.419 -0.292 465 HG23 THR 56 3HG2 THR 56 -7.917 12.982 1.434 466 H VAL 57 H VAL 57 -7.549 9.210 1.887 467 HA VAL 57 HA VAL 57 -6.641 6.696 1.008 468 HB VAL 57 HB VAL 57 -8.739 7.522 3.024 469 HG11 VAL 57 1HG1 VAL 57 -8.557 5.311 4.071 470 HG12 VAL 57 2HG1 VAL 57 -9.163 5.131 2.426 471 HG13 VAL 57 3HG1 VAL 57 -7.469 4.761 2.775 472 HG21 VAL 57 1HG2 VAL 57 -6.398 8.267 3.484 473 HG22 VAL 57 2HG2 VAL 57 -6.961 7.093 4.672 474 HG23 VAL 57 3HG2 VAL 57 -5.869 6.576 3.370 475 H ALA 58 H ALA 58 -9.891 8.197 0.564 476 HA ALA 58 HA ALA 58 -11.160 5.904 -0.497 477 HB1 ALA 58 1HB ALA 58 -12.670 7.562 -1.602 478 HB2 ALA 58 2HB ALA 58 -12.440 7.845 0.132 479 HB3 ALA 58 3HB ALA 58 -11.596 8.867 -1.065 480 H GLN 59 H GLN 59 -9.246 8.491 -2.201 481 HA GLN 59 HA GLN 59 -9.730 7.542 -4.835 482 HB2 GLN 59 1HB GLN 59 -7.263 8.865 -3.666 483 HB3 GLN 59 2HB GLN 59 -7.667 8.835 -5.366 484 HG2 GLN 59 1HG GLN 59 -9.396 10.200 -3.244 485 HG3 GLN 59 2HG GLN 59 -8.078 11.021 -4.061 486 HE21 GLN 59 1HE2 GLN 59 -9.735 11.118 -7.253 487 HE22 GLN 59 2HE2 GLN 59 -8.187 10.594 -6.667 488 H PHE 60 H PHE 60 -7.053 6.897 -2.489 489 HA PHE 60 HA PHE 60 -5.603 5.131 -4.140 490 HB2 PHE 60 2HB PHE 60 -4.723 6.123 -2.063 491 HB3 PHE 60 3HB PHE 60 -5.847 5.178 -1.107 492 HD1 PHE 60 1HD PHE 60 -3.950 4.414 0.236 493 HD2 PHE 60 2HD PHE 60 -4.159 3.468 -3.977 494 HE1 PHE 60 1HE PHE 60 -2.208 2.715 0.529 495 HE2 PHE 60 2HE PHE 60 -2.428 1.763 -3.665 496 HZ PHE 60 HZ PHE 60 -1.417 1.373 -1.438 497 H MET 61 H MET 61 -8.033 4.392 -1.639 498 HA MET 61 HA MET 61 -8.185 1.621 -1.848 499 HB2 MET 61 1HB MET 61 -9.177 2.956 -0.060 500 HB3 MET 61 2HB MET 61 -10.276 3.744 -1.207 501 HG2 MET 61 1HG MET 61 -11.275 1.543 -1.721 502 HG3 MET 61 2HG MET 61 -10.246 0.820 -0.480 503 HE1 MET 61 1HE MET 61 -13.426 0.554 -0.586 504 HE2 MET 61 2HE MET 61 -14.359 1.774 0.316 505 HE3 MET 61 3HE MET 61 -13.625 2.195 -1.249 506 H TRP 62 H TRP 62 -10.050 4.100 -3.718 507 HA TRP 62 HA TRP 62 -11.559 2.171 -5.162 508 HB2 TRP 62 2HB TRP 62 -11.054 5.102 -5.411 509 HB3 TRP 62 3HB TRP 62 -11.555 4.236 -6.852 510 HD1 TRP 62 HD1 TRP 62 -12.850 5.019 -3.356 511 HE1 TRP 62 1HE TRP 62 -15.395 4.571 -3.272 512 HE3 TRP 62 3HE TRP 62 -13.390 2.822 -7.920 513 HZ2 TRP 62 2HZ TRP 62 -17.441 3.607 -5.136 514 HZ3 TRP 62 3HZ TRP 62 -15.638 2.185 -8.769 515 HH2 TRP 62 HH2 TRP 62 -17.644 2.614 -7.415 516 H ILE 63 H ILE 63 -8.403 3.731 -5.842 517 HA ILE 63 HA ILE 63 -8.201 2.521 -8.438 518 HB ILE 63 HB ILE 63 -5.912 3.424 -6.666 519 HG12 ILE 63 1HG1 ILE 63 -7.031 5.036 -8.985 520 HG13 ILE 63 2HG1 ILE 63 -7.822 5.170 -7.453 521 HG21 ILE 63 1HG2 ILE 63 -6.198 2.724 -9.627 522 HG22 ILE 63 2HG2 ILE 63 -4.861 3.704 -9.033 523 HG23 ILE 63 3HG2 ILE 63 -5.067 2.039 -8.450 524 HD11 ILE 63 1HD1 ILE 63 -4.890 5.773 -7.979 525 HD12 ILE 63 2HD1 ILE 63 -6.183 6.925 -7.568 526 HD13 ILE 63 3HD1 ILE 63 -5.628 5.760 -6.364 527 H ILE 64 H ILE 64 -7.218 1.368 -5.146 528 HA ILE 64 HA ILE 64 -5.873 -0.983 -5.999 529 HB ILE 64 HB ILE 64 -7.452 -0.318 -3.497 530 HG12 ILE 64 1HG1 ILE 64 -4.481 -0.823 -3.607 531 HG13 ILE 64 2HG1 ILE 64 -5.087 0.729 -4.180 532 HG21 ILE 64 1HG2 ILE 64 -7.597 -2.723 -3.584 533 HG22 ILE 64 2HG2 ILE 64 -5.903 -2.861 -4.079 534 HG23 ILE 64 3HG2 ILE 64 -6.302 -2.336 -2.443 535 HD11 ILE 64 1HD1 ILE 64 -5.955 1.343 -2.075 536 HD12 ILE 64 2HD1 ILE 64 -5.944 -0.312 -1.465 537 HD13 ILE 64 3HD1 ILE 64 -4.423 0.550 -1.684 538 H ARG 65 H ARG 65 -9.423 -0.599 -5.139 539 HA ARG 65 HA ARG 65 -9.981 -3.296 -5.936 540 HB2 ARG 65 1HB ARG 65 -12.357 -2.665 -6.058 541 HB3 ARG 65 2HB ARG 65 -11.581 -2.150 -4.575 542 HG2 ARG 65 1HG ARG 65 -11.368 0.120 -5.447 543 HG3 ARG 65 2HG ARG 65 -12.134 -0.355 -6.970 544 HD2 ARG 65 1HD ARG 65 -13.428 -0.312 -4.216 545 HD3 ARG 65 2HD ARG 65 -13.669 0.863 -5.514 546 HE ARG 65 HE ARG 65 -14.239 -1.727 -6.509 547 HH11 ARG 65 1HH1 ARG 65 -15.684 0.986 -4.734 548 HH12 ARG 65 2HH1 ARG 65 -17.282 0.509 -5.111 549 HH21 ARG 65 1HH2 ARG 65 -16.403 -2.509 -6.715 550 HH22 ARG 65 2HH2 ARG 65 -17.674 -1.720 -5.869 551 H LYS 66 H LYS 66 -9.696 -0.376 -7.971 552 HA LYS 66 HA LYS 66 -10.706 -1.702 -10.308 553 HB2 LYS 66 1HB LYS 66 -8.873 0.715 -9.997 554 HB3 LYS 66 2HB LYS 66 -9.429 0.118 -11.557 555 HG2 LYS 66 1HG LYS 66 -11.762 0.539 -10.964 556 HG3 LYS 66 2HG LYS 66 -11.298 1.055 -9.344 557 HD2 LYS 66 1HD LYS 66 -9.879 2.887 -10.434 558 HD3 LYS 66 2HD LYS 66 -10.611 2.417 -11.983 559 HE2 LYS 66 1HE LYS 66 -12.889 2.797 -10.846 560 HE3 LYS 66 2HE LYS 66 -11.991 3.505 -9.491 561 HZ1 LYS 66 1HZ LYS 66 -12.741 5.210 -10.963 562 HZ2 LYS 66 2HZ LYS 66 -12.075 4.515 -12.264 563 HZ3 LYS 66 3HZ LYS 66 -11.110 5.164 -11.089 564 H ARG 67 H ARG 67 -7.423 -1.267 -8.960 565 HA ARG 67 HA ARG 67 -5.937 -2.418 -11.062 566 HB2 ARG 67 1HB ARG 67 -5.459 -1.636 -8.228 567 HB3 ARG 67 2HB ARG 67 -4.429 -2.937 -8.772 568 HG2 ARG 67 1HG ARG 67 -4.735 -0.343 -10.346 569 HG3 ARG 67 2HG ARG 67 -3.509 -0.596 -9.087 570 HD2 ARG 67 1HD ARG 67 -2.643 -2.575 -10.290 571 HD3 ARG 67 2HD ARG 67 -3.819 -2.326 -11.580 572 HE ARG 67 HE ARG 67 -2.558 0.087 -11.514 573 HH11 ARG 67 1HH1 ARG 67 -1.464 -3.314 -11.985 574 HH12 ARG 67 2HH1 ARG 67 -0.003 -2.806 -12.785 575 HH21 ARG 67 1HH2 ARG 67 -0.606 0.625 -12.724 576 HH22 ARG 67 2HH2 ARG 67 0.399 -0.658 -13.308 577 H ILE 68 H ILE 68 -7.646 -4.007 -8.397 578 HA ILE 68 HA ILE 68 -6.486 -6.604 -9.352 579 HB ILE 68 HB ILE 68 -7.250 -7.591 -7.397 580 HG12 ILE 68 1HG1 ILE 68 -8.609 -4.955 -6.695 581 HG13 ILE 68 2HG1 ILE 68 -9.389 -6.505 -7.059 582 HG21 ILE 68 1HG2 ILE 68 -5.968 -4.960 -6.544 583 HG22 ILE 68 2HG2 ILE 68 -5.806 -6.557 -5.778 584 HG23 ILE 68 3HG2 ILE 68 -5.100 -6.277 -7.365 585 HD11 ILE 68 1HD1 ILE 68 -8.237 -7.496 -5.046 586 HD12 ILE 68 2HD1 ILE 68 -7.778 -5.837 -4.584 587 HD13 ILE 68 3HD1 ILE 68 -9.490 -6.286 -4.728 588 H GLN 69 H GLN 69 -9.054 -4.695 -10.183 589 HA GLN 69 HA GLN 69 -11.088 -5.059 -11.177 590 HB2 GLN 69 1HB GLN 69 -9.409 -7.401 -12.017 591 HB3 GLN 69 2HB GLN 69 -11.114 -7.524 -12.355 592 HG2 GLN 69 1HG GLN 69 -9.704 -4.994 -13.147 593 HG3 GLN 69 2HG GLN 69 -9.439 -6.466 -14.080 594 HE21 GLN 69 1HE2 GLN 69 -12.828 -4.461 -14.833 595 HE22 GLN 69 2HE2 GLN 69 -11.578 -3.810 -13.802 596 H LEU 70 H LEU 70 -11.422 -5.101 -8.628 597 HA LEU 70 HA LEU 70 -12.294 -7.539 -7.430 598 HB2 LEU 70 1HB LEU 70 -11.615 -5.655 -6.092 599 HB3 LEU 70 2HB LEU 70 -12.843 -4.623 -6.807 600 HG LEU 70 HG LEU 70 -13.128 -5.565 -4.374 601 HD11 LEU 70 1HD1 LEU 70 -15.487 -5.430 -4.422 602 HD12 LEU 70 2HD1 LEU 70 -15.547 -5.660 -6.164 603 HD13 LEU 70 3HD1 LEU 70 -14.810 -4.189 -5.483 604 HD21 LEU 70 1HD2 LEU 70 -12.757 -7.926 -4.987 605 HD22 LEU 70 2HD2 LEU 70 -14.354 -7.906 -5.780 606 HD23 LEU 70 3HD2 LEU 70 -14.222 -7.591 -4.059 607 HA PRO 71 HA PRO 71 -16.094 -7.423 -9.990 608 HB2 PRO 71 2HB PRO 71 -17.094 -9.839 -9.327 609 HB3 PRO 71 3HB PRO 71 -15.709 -9.705 -10.447 610 HG2 PRO 71 2HG PRO 71 -15.636 -10.248 -7.466 611 HG3 PRO 71 3HG PRO 71 -14.790 -11.160 -8.754 612 HD2 PRO 71 2HD PRO 71 -13.549 -9.219 -7.316 613 HD3 PRO 71 3HD PRO 71 -13.252 -9.404 -9.049 614 H SER 72 H SER 72 -18.300 -6.899 -9.311 615 HA SER 72 HA SER 72 -18.502 -6.058 -6.604 616 HB2 SER 72 1HB SER 72 -20.582 -6.376 -8.777 617 HB3 SER 72 2HB SER 72 -20.901 -5.614 -7.195 618 HG SER 72 HG SER 72 -20.220 -4.125 -8.888 619 H GLU 73 H GLU 73 -18.909 -9.240 -7.860 620 HA GLU 73 HA GLU 73 -20.832 -10.150 -5.957 621 HB2 GLU 73 1HB GLU 73 -20.125 -12.404 -6.566 622 HB3 GLU 73 2HB GLU 73 -20.408 -11.395 -7.967 623 HG2 GLU 73 1HG GLU 73 -17.690 -11.092 -7.605 624 HG3 GLU 73 2HG GLU 73 -17.937 -12.750 -7.089 625 H LYS 74 H LYS 74 -17.398 -9.457 -5.751 626 HA LYS 74 HA LYS 74 -17.284 -10.679 -3.048 627 HB2 LYS 74 1HB LYS 74 -14.824 -9.832 -4.621 628 HB3 LYS 74 2HB LYS 74 -14.913 -10.797 -3.175 629 HG2 LYS 74 1HG LYS 74 -15.987 -11.655 -5.894 630 HG3 LYS 74 2HG LYS 74 -14.411 -12.084 -5.266 631 HD2 LYS 74 1HD LYS 74 -17.010 -12.801 -3.823 632 HD3 LYS 74 2HD LYS 74 -16.302 -13.781 -5.089 633 HE2 LYS 74 1HE LYS 74 -14.072 -13.539 -3.637 634 HE3 LYS 74 2HE LYS 74 -15.221 -13.167 -2.333 635 HZ1 LYS 74 1HZ LYS 74 -16.322 -15.333 -3.170 636 HZ2 LYS 74 2HZ LYS 74 -15.007 -15.413 -2.198 637 HZ3 LYS 74 3HZ LYS 74 -14.838 -15.652 -3.821 638 H ALA 75 H ALA 75 -15.840 -9.373 -1.546 639 HA ALA 75 HA ALA 75 -16.645 -6.516 -1.659 640 HB1 ALA 75 1HB ALA 75 -17.766 -7.799 0.144 641 HB2 ALA 75 2HB ALA 75 -16.175 -8.345 0.737 642 HB3 ALA 75 3HB ALA 75 -16.619 -6.625 0.812 643 H ILE 76 H ILE 76 -14.971 -5.232 -0.156 644 HA ILE 76 HA ILE 76 -12.258 -6.289 -0.342 645 HB ILE 76 HB ILE 76 -12.626 -5.134 -2.438 646 HG12 ILE 76 1HG1 ILE 76 -10.844 -3.339 -2.194 647 HG13 ILE 76 2HG1 ILE 76 -10.727 -3.790 -0.497 648 HG21 ILE 76 1HG2 ILE 76 -13.172 -2.819 -2.685 649 HG22 ILE 76 2HG2 ILE 76 -14.467 -3.630 -1.828 650 HG23 ILE 76 3HG2 ILE 76 -13.332 -2.615 -0.924 651 HD11 ILE 76 1HD1 ILE 76 -10.403 -5.705 -2.831 652 HD12 ILE 76 2HD1 ILE 76 -9.063 -4.917 -1.975 653 HD13 ILE 76 3HD1 ILE 76 -10.106 -6.077 -1.122 654 H PHE 77 H PHE 77 -10.967 -5.536 1.275 655 HA PHE 77 HA PHE 77 -11.872 -3.458 3.164 656 HB2 PHE 77 2HB PHE 77 -11.189 -6.341 3.911 657 HB3 PHE 77 3HB PHE 77 -11.352 -5.021 5.054 658 HD1 PHE 77 1HD PHE 77 -13.197 -7.310 2.793 659 HD2 PHE 77 2HD PHE 77 -13.535 -4.126 5.684 660 HE1 PHE 77 1HE PHE 77 -15.637 -7.743 3.000 661 HE2 PHE 77 2HE PHE 77 -15.963 -4.592 5.906 662 HZ PHE 77 HZ PHE 77 -17.016 -6.376 4.544 663 H LEU 78 H LEU 78 -10.107 -2.358 3.970 664 HA LEU 78 HA LEU 78 -7.349 -3.271 3.256 665 HB2 LEU 78 1HB LEU 78 -8.460 -0.435 3.547 666 HB3 LEU 78 2HB LEU 78 -6.765 -0.843 3.350 667 HG LEU 78 HG LEU 78 -8.939 -1.312 1.340 668 HD11 LEU 78 1HD1 LEU 78 -8.203 1.052 1.582 669 HD12 LEU 78 2HD1 LEU 78 -7.726 0.382 0.011 670 HD13 LEU 78 3HD1 LEU 78 -6.522 0.545 1.304 671 HD21 LEU 78 1HD2 LEU 78 -7.486 -3.119 1.023 672 HD22 LEU 78 2HD2 LEU 78 -6.039 -2.142 1.347 673 HD23 LEU 78 3HD2 LEU 78 -6.934 -1.935 -0.165 674 H PHE 79 H PHE 79 -5.723 -2.745 4.712 675 HA PHE 79 HA PHE 79 -6.485 -1.814 7.425 676 HB2 PHE 79 2HB PHE 79 -4.921 -4.386 6.973 677 HB3 PHE 79 3HB PHE 79 -5.420 -3.686 8.508 678 HD1 PHE 79 1HD PHE 79 -6.488 -5.599 5.548 679 HD2 PHE 79 2HD PHE 79 -7.799 -3.794 9.245 680 HE1 PHE 79 1HE PHE 79 -8.638 -6.832 5.394 681 HE2 PHE 79 2HE PHE 79 -9.938 -5.050 9.089 682 HZ PHE 79 HZ PHE 79 -10.356 -6.547 7.158 683 H VAL 80 H VAL 80 -4.801 -0.786 8.508 684 HA VAL 80 HA VAL 80 -2.084 -0.863 7.420 685 HB VAL 80 HB VAL 80 -3.144 0.880 6.222 686 HG11 VAL 80 1HG1 VAL 80 -4.976 1.503 7.800 687 HG12 VAL 80 2HG1 VAL 80 -3.778 2.271 8.846 688 HG13 VAL 80 3HG1 VAL 80 -4.057 2.914 7.240 689 HG21 VAL 80 1HG2 VAL 80 -1.236 1.967 8.308 690 HG22 VAL 80 2HG2 VAL 80 -0.830 1.266 6.723 691 HG23 VAL 80 3HG2 VAL 80 -1.692 2.811 6.823 692 H ASP 81 H ASP 81 -0.816 -1.237 9.179 693 HA ASP 81 HA ASP 81 -0.344 -1.812 11.354 694 HB2 ASP 81 1HB ASP 81 0.500 0.463 11.042 695 HB3 ASP 81 2HB ASP 81 -1.032 1.131 11.597 696 H LYS 82 H LYS 82 -2.640 -2.962 10.995 697 HA LYS 82 HA LYS 82 -4.522 -3.808 11.926 698 HB2 LYS 82 1HB LYS 82 -3.368 -2.751 14.525 699 HB3 LYS 82 2HB LYS 82 -4.658 -3.917 14.408 700 HG2 LYS 82 1HG LYS 82 -1.857 -4.410 13.317 701 HG3 LYS 82 2HG LYS 82 -2.411 -4.865 14.928 702 HD2 LYS 82 1HD LYS 82 -4.236 -6.244 13.903 703 HD3 LYS 82 2HD LYS 82 -3.550 -5.883 12.301 704 HE2 LYS 82 1HE LYS 82 -1.441 -6.939 12.900 705 HE3 LYS 82 2HE LYS 82 -1.987 -7.176 14.562 706 HZ1 LYS 82 1HZ LYS 82 -3.659 -8.676 13.782 707 HZ2 LYS 82 2HZ LYS 82 -2.191 -9.179 13.271 708 HZ3 LYS 82 3HZ LYS 82 -3.233 -8.458 12.202 709 H THR 83 H THR 83 -4.647 -0.749 11.098 710 HA THR 83 HA THR 83 -7.220 -0.261 12.512 711 HB THR 83 HB THR 83 -6.843 2.081 12.307 712 HG1 THR 83 1HG THR 83 -4.382 1.432 11.038 713 HG21 THR 83 1HG2 THR 83 -5.032 2.494 13.837 714 HG22 THR 83 2HG2 THR 83 -4.294 0.940 13.480 715 HG23 THR 83 3HG2 THR 83 -5.857 1.003 14.320 716 H VAL 84 H VAL 84 -8.753 1.055 11.240 717 HA VAL 84 HA VAL 84 -8.770 0.246 8.386 718 HB VAL 84 HB VAL 84 -10.708 -0.560 9.434 719 HG11 VAL 84 1HG1 VAL 84 -12.325 0.658 10.714 720 HG12 VAL 84 2HG1 VAL 84 -10.766 0.732 11.539 721 HG13 VAL 84 3HG1 VAL 84 -11.352 2.147 10.640 722 HG21 VAL 84 1HG2 VAL 84 -12.503 0.632 8.261 723 HG22 VAL 84 2HG2 VAL 84 -11.496 2.080 8.114 724 HG23 VAL 84 3HG2 VAL 84 -11.046 0.598 7.255 725 HA PRO 85 HA PRO 85 -7.491 4.546 8.376 726 HB2 PRO 85 2HB PRO 85 -6.940 4.919 5.716 727 HB3 PRO 85 3HB PRO 85 -5.890 4.061 6.872 728 HG2 PRO 85 2HG PRO 85 -7.775 2.866 4.846 729 HG3 PRO 85 3HG PRO 85 -6.130 2.332 5.339 730 HD2 PRO 85 2HD PRO 85 -8.503 1.229 6.307 731 HD3 PRO 85 3HD PRO 85 -6.941 1.191 7.170 732 H GLN 86 H GLN 86 -8.560 6.416 8.172 733 HA GLN 86 HA GLN 86 -11.360 6.313 7.456 734 HB2 GLN 86 1HB GLN 86 -10.830 7.800 9.202 735 HB3 GLN 86 2HB GLN 86 -9.551 8.611 8.288 736 HG2 GLN 86 1HG GLN 86 -11.046 9.841 6.992 737 HG3 GLN 86 2HG GLN 86 -12.362 8.678 7.178 738 HE21 GLN 86 1HE2 GLN 86 -12.150 11.738 9.783 739 HE22 GLN 86 2HE2 GLN 86 -11.057 11.686 8.407 740 H SER 87 H SER 87 -12.134 6.381 5.489 741 HA SER 87 HA SER 87 -10.724 6.660 3.108 742 HB2 SER 87 1HB SER 87 -13.003 6.812 2.069 743 HB3 SER 87 2HB SER 87 -12.697 5.437 3.122 744 HG SER 87 HG SER 87 -13.789 6.802 4.831 745 H SER 88 H SER 88 -11.810 9.235 5.113 746 HA SER 88 HA SER 88 -11.676 11.271 2.978 747 HB2 SER 88 1HB SER 88 -13.513 11.021 4.766 748 HB3 SER 88 2HB SER 88 -12.329 11.641 5.920 749 HG SER 88 HG SER 88 -12.190 13.524 4.421 750 H LEU 89 H LEU 89 -9.301 9.750 4.922 751 HA LEU 89 HA LEU 89 -7.957 12.200 5.776 752 HB2 LEU 89 1HB LEU 89 -7.968 10.014 7.057 753 HB3 LEU 89 2HB LEU 89 -7.021 9.298 5.753 754 HG LEU 89 HG LEU 89 -5.167 10.874 6.214 755 HD11 LEU 89 1HD1 LEU 89 -5.325 12.213 8.392 756 HD12 LEU 89 2HD1 LEU 89 -7.063 11.917 8.370 757 HD13 LEU 89 3HD1 LEU 89 -6.293 12.849 7.062 758 HD21 LEU 89 1HD2 LEU 89 -5.375 8.691 7.459 759 HD22 LEU 89 2HD2 LEU 89 -6.154 9.571 8.764 760 HD23 LEU 89 3HD2 LEU 89 -4.468 9.938 8.341 761 H THR 90 H THR 90 -5.809 12.866 4.845 762 HA THR 90 HA THR 90 -5.666 12.306 1.970 763 HB THR 90 HB THR 90 -3.836 14.089 2.158 764 HG1 THR 90 1HG THR 90 -4.139 15.464 3.930 765 HG21 THR 90 1HG2 THR 90 -5.504 15.917 2.155 766 HG22 THR 90 2HG2 THR 90 -6.735 14.803 2.798 767 HG23 THR 90 3HG2 THR 90 -6.031 14.546 1.182 768 H MET 91 H MET 91 -3.743 11.548 0.969 769 HA MET 91 HA MET 91 -2.549 9.385 2.299 770 HB2 MET 91 1HB MET 91 -2.039 10.872 -0.282 771 HB3 MET 91 2HB MET 91 -0.783 9.773 0.279 772 HG2 MET 91 1HG MET 91 -3.669 9.021 -0.270 773 HG3 MET 91 2HG MET 91 -2.267 8.674 -1.283 774 HE1 MET 91 1HE MET 91 -4.242 7.835 1.920 775 HE2 MET 91 2HE MET 91 -4.658 6.863 0.489 776 HE3 MET 91 3HE MET 91 -3.959 6.076 1.922 777 H GLY 92 H GLY 92 -1.404 12.761 1.871 778 HA2 GLY 92 1HA GLY 92 1.226 12.378 2.872 779 HA3 GLY 92 2HA GLY 92 0.316 13.901 2.884 780 H GLN 93 H GLN 93 -1.853 13.167 4.574 781 HA GLN 93 HA GLN 93 -0.664 13.511 7.142 782 HB2 GLN 93 1HB GLN 93 -3.084 14.084 6.163 783 HB3 GLN 93 2HB GLN 93 -3.499 12.505 6.791 784 HG2 GLN 93 1HG GLN 93 -2.498 14.941 8.287 785 HG3 GLN 93 2HG GLN 93 -4.072 14.188 8.424 786 HE21 GLN 93 1HE2 GLN 93 -0.891 12.896 10.680 787 HE22 GLN 93 2HE2 GLN 93 -0.775 14.162 9.485 788 H LEU 94 H LEU 94 -2.416 10.781 5.630 789 HA LEU 94 HA LEU 94 -2.072 8.943 7.739 790 HB2 LEU 94 1HB LEU 94 -3.678 8.662 6.011 791 HB3 LEU 94 2HB LEU 94 -2.474 8.453 4.762 792 HG LEU 94 HG LEU 94 -2.374 6.650 7.199 793 HD11 LEU 94 1HD1 LEU 94 -4.784 6.675 6.652 794 HD12 LEU 94 2HD1 LEU 94 -4.025 5.127 6.353 795 HD13 LEU 94 3HD1 LEU 94 -4.398 6.195 4.978 796 HD21 LEU 94 1HD2 LEU 94 -2.092 5.978 4.232 797 HD22 LEU 94 2HD2 LEU 94 -1.712 4.943 5.636 798 HD23 LEU 94 3HD2 LEU 94 -0.740 6.372 5.307 799 H TYR 95 H TYR 95 0.149 9.755 5.104 800 HA TYR 95 HA TYR 95 2.020 7.629 5.540 801 HB2 TYR 95 2HB TYR 95 2.059 8.904 3.465 802 HB3 TYR 95 3HB TYR 95 2.281 10.420 4.318 803 HD1 TYR 95 1HD TYR 95 3.950 7.118 3.715 804 HD2 TYR 95 2HD TYR 95 4.487 11.303 4.589 805 HE1 TYR 95 1HE TYR 95 6.345 6.839 3.412 806 HE2 TYR 95 2HE TYR 95 6.924 11.047 4.257 807 HH TYR 95 HH TYR 95 8.422 7.844 3.591 808 H GLU 96 H GLU 96 1.983 11.101 6.528 809 HA GLU 96 HA GLU 96 4.230 11.072 8.168 810 HB2 GLU 96 1HB GLU 96 2.973 13.061 7.297 811 HB3 GLU 96 2HB GLU 96 1.693 12.731 8.466 812 HG2 GLU 96 1HG GLU 96 3.477 13.008 10.294 813 HG3 GLU 96 2HG GLU 96 4.563 13.582 9.022 814 H LYS 97 H LYS 97 0.830 10.295 9.086 815 HA LYS 97 HA LYS 97 1.660 9.900 11.857 816 HB2 LYS 97 1HB LYS 97 -0.586 9.735 12.426 817 HB3 LYS 97 2HB LYS 97 -0.502 10.963 11.188 818 HG2 LYS 97 1HG LYS 97 -2.224 9.909 10.196 819 HG3 LYS 97 2HG LYS 97 -1.027 8.740 9.670 820 HD2 LYS 97 1HD LYS 97 -2.743 7.441 10.650 821 HD3 LYS 97 2HD LYS 97 -1.474 7.521 11.897 822 HE2 LYS 97 1HE LYS 97 -2.826 9.488 12.869 823 HE3 LYS 97 2HE LYS 97 -4.126 8.983 11.772 824 HZ1 LYS 97 1HZ LYS 97 -4.403 7.925 13.874 825 HZ2 LYS 97 2HZ LYS 97 -2.845 7.358 13.875 826 HZ3 LYS 97 3HZ LYS 97 -3.909 6.738 12.823 827 H GLU 98 H GLU 98 1.187 7.704 9.084 828 HA GLU 98 HA GLU 98 1.552 5.450 11.016 829 HB2 GLU 98 1HB GLU 98 0.429 5.232 8.215 830 HB3 GLU 98 2HB GLU 98 0.509 3.980 9.468 831 HG2 GLU 98 1HG GLU 98 -0.829 5.707 10.903 832 HG3 GLU 98 2HG GLU 98 -1.227 6.448 9.336 833 H LYS 99 H LYS 99 3.545 7.343 9.400 834 HA LYS 99 HA LYS 99 5.179 5.859 7.734 835 HB2 LYS 99 1HB LYS 99 5.288 8.377 9.102 836 HB3 LYS 99 2HB LYS 99 6.767 7.530 9.515 837 HG2 LYS 99 1HG LYS 99 7.234 7.132 7.112 838 HG3 LYS 99 2HG LYS 99 5.737 7.951 6.676 839 HD2 LYS 99 1HD LYS 99 7.665 9.417 6.369 840 HD3 LYS 99 2HD LYS 99 6.566 10.073 7.591 841 HE2 LYS 99 1HE LYS 99 8.032 9.400 9.373 842 HE3 LYS 99 2HE LYS 99 9.012 8.404 8.288 843 HZ1 LYS 99 1HZ LYS 99 8.977 11.083 7.378 844 HZ2 LYS 99 2HZ LYS 99 10.271 10.169 7.830 845 HZ3 LYS 99 3HZ LYS 99 9.448 11.032 8.943 846 H ASP 100 H ASP 100 6.287 4.066 7.912 847 HA ASP 100 HA ASP 100 6.822 2.890 10.533 848 HB2 ASP 100 1HB ASP 100 6.136 1.617 8.443 849 HB3 ASP 100 2HB ASP 100 7.684 2.060 7.717 850 H GLU 101 H GLU 101 9.242 2.129 10.946 851 HA GLU 101 HA GLU 101 10.968 4.316 11.121 852 HB2 GLU 101 1HB GLU 101 12.651 2.724 11.771 853 HB3 GLU 101 2HB GLU 101 11.116 2.152 12.407 854 HG2 GLU 101 1HG GLU 101 10.979 0.709 10.240 855 HG3 GLU 101 2HG GLU 101 12.671 1.110 9.989 856 H ASP 102 H ASP 102 10.445 2.102 8.476 857 HA ASP 102 HA ASP 102 12.834 2.915 7.004 858 HB2 ASP 102 1HB ASP 102 10.807 0.763 6.843 859 HB3 ASP 102 2HB ASP 102 11.287 1.382 5.273 860 H GLY 103 H GLY 103 10.172 4.617 7.574 861 HA2 GLY 103 1HA GLY 103 9.259 6.468 6.610 862 HA3 GLY 103 2HA GLY 103 10.573 6.488 5.448 863 H PHE 104 H PHE 104 8.325 3.762 5.814 864 HA PHE 104 HA PHE 104 7.008 4.445 3.247 865 HB2 PHE 104 2HB PHE 104 7.481 2.430 2.275 866 HB3 PHE 104 3HB PHE 104 8.953 2.616 3.217 867 HD1 PHE 104 1HD PHE 104 6.209 0.453 2.499 868 HD2 PHE 104 2HD PHE 104 8.964 1.540 5.621 869 HE1 PHE 104 1HE PHE 104 5.797 -1.720 3.629 870 HE2 PHE 104 2HE PHE 104 8.557 -0.628 6.733 871 HZ PHE 104 HZ PHE 104 6.943 -2.241 5.778 872 H LEU 105 H LEU 105 5.135 2.706 2.954 873 HA LEU 105 HA LEU 105 3.650 2.538 5.534 874 HB2 LEU 105 1HB LEU 105 2.917 4.366 3.886 875 HB3 LEU 105 2HB LEU 105 2.468 3.060 2.805 876 HG LEU 105 HG LEU 105 1.082 2.187 4.897 877 HD11 LEU 105 1HD1 LEU 105 0.253 3.914 6.356 878 HD12 LEU 105 2HD1 LEU 105 1.196 5.161 5.513 879 HD13 LEU 105 3HD1 LEU 105 2.005 3.910 6.458 880 HD21 LEU 105 1HD2 LEU 105 0.109 2.946 2.737 881 HD22 LEU 105 2HD2 LEU 105 0.121 4.615 3.340 882 HD23 LEU 105 3HD2 LEU 105 -0.869 3.372 4.138 883 H TYR 106 H TYR 106 2.890 0.504 5.979 884 HA TYR 106 HA TYR 106 2.937 -1.536 3.781 885 HB2 TYR 106 2HB TYR 106 3.094 -3.232 5.538 886 HB3 TYR 106 3HB TYR 106 4.480 -2.177 5.472 887 HD1 TYR 106 1HD TYR 106 5.034 -0.631 7.333 888 HD2 TYR 106 2HD TYR 106 1.556 -3.169 7.474 889 HE1 TYR 106 1HE TYR 106 4.856 -0.263 9.768 890 HE2 TYR 106 2HE TYR 106 1.429 -2.874 9.944 891 HH TYR 106 HH TYR 106 3.458 -0.530 11.689 892 H VAL 107 H VAL 107 0.954 -2.160 3.031 893 HA VAL 107 HA VAL 107 -1.380 -1.913 4.857 894 HB VAL 107 HB VAL 107 -0.981 -0.912 2.035 895 HG11 VAL 107 1HG1 VAL 107 -3.650 -1.523 3.312 896 HG12 VAL 107 2HG1 VAL 107 -3.430 -0.449 1.912 897 HG13 VAL 107 3HG1 VAL 107 -2.996 -2.166 1.808 898 HG21 VAL 107 1HG2 VAL 107 -1.996 0.395 4.527 899 HG22 VAL 107 2HG2 VAL 107 -0.463 0.687 3.707 900 HG23 VAL 107 3HG2 VAL 107 -1.976 1.149 2.916 901 H ALA 108 H ALA 108 -2.866 -3.535 4.715 902 HA ALA 108 HA ALA 108 -2.210 -5.819 2.915 903 HB1 ALA 108 1HB ALA 108 -2.964 -7.316 4.657 904 HB2 ALA 108 2HB ALA 108 -1.675 -6.295 5.295 905 HB3 ALA 108 3HB ALA 108 -3.371 -5.948 5.721 906 H TYR 109 H TYR 109 -4.100 -6.912 2.016 907 HA TYR 109 HA TYR 109 -6.687 -5.539 2.510 908 HB2 TYR 109 2HB TYR 109 -7.235 -5.269 0.257 909 HB3 TYR 109 3HB TYR 109 -5.621 -4.587 0.434 910 HD1 TYR 109 1HD TYR 109 -7.684 -7.068 -1.288 911 HD2 TYR 109 2HD TYR 109 -3.632 -5.932 -0.346 912 HE1 TYR 109 1HE TYR 109 -6.852 -8.498 -3.146 913 HE2 TYR 109 2HE TYR 109 -2.815 -7.364 -2.169 914 HH TYR 109 HH TYR 109 -4.857 -9.513 -4.077 915 H SER 110 H SER 110 -8.553 -6.745 2.032 916 HA SER 110 HA SER 110 -8.226 -9.643 1.509 917 HB2 SER 110 1HB SER 110 -8.111 -9.322 3.997 918 HB3 SER 110 2HB SER 110 -9.614 -8.392 3.938 919 HG SER 110 HG SER 110 -10.253 -10.379 4.476 920 H GLY 111 H GLY 111 -10.287 -10.577 0.929 921 HA2 GLY 111 1HA GLY 111 -12.308 -8.602 -0.014 922 HA3 GLY 111 2HA GLY 111 -11.933 -10.088 -0.889 923 H GLU 112 H GLU 112 -11.834 -10.326 2.565 924 HA GLU 112 HA GLU 112 -14.534 -11.462 2.713 925 HB2 GLU 112 1HB GLU 112 -12.012 -12.611 3.983 926 HB3 GLU 112 2HB GLU 112 -13.672 -13.210 4.160 927 HG2 GLU 112 1HG GLU 112 -13.669 -13.456 1.582 928 HG3 GLU 112 2HG GLU 112 -11.922 -13.261 1.672 929 H ASN 113 H ASN 113 -15.652 -10.674 4.282 930 HA ASN 113 HA ASN 113 -14.816 -8.417 5.855 931 HB2 ASN 113 1HB ASN 113 -17.146 -8.758 5.152 932 HB3 ASN 113 2HB ASN 113 -17.244 -10.254 6.085 933 HD21 ASN 113 1HD2 ASN 113 -17.735 -8.581 9.201 934 HD22 ASN 113 2HD2 ASN 113 -17.666 -10.109 8.338 935 H THR 114 H THR 114 -14.985 -11.922 6.446 936 HA THR 114 HA THR 114 -13.722 -11.548 9.105 937 HB THR 114 HB THR 114 -14.851 -13.962 9.330 938 HG1 THR 114 1HG THR 114 -15.931 -14.212 7.525 939 HG21 THR 114 1HG2 THR 114 -16.299 -11.299 9.674 940 HG22 THR 114 2HG2 THR 114 -15.281 -12.131 10.863 941 HG23 THR 114 3HG2 THR 114 -16.826 -12.848 10.387 942 H PHE 115 H PHE 115 -11.717 -12.257 9.175 943 HA PHE 115 HA PHE 115 -10.694 -14.224 7.185 944 HB2 PHE 115 2HB PHE 115 -8.479 -13.135 7.692 945 HB3 PHE 115 3HB PHE 115 -9.642 -12.129 6.851 946 HD1 PHE 115 1HD PHE 115 -8.229 -12.778 10.299 947 HD2 PHE 115 2HD PHE 115 -10.316 -10.010 7.720 948 HE1 PHE 115 1HE PHE 115 -8.112 -11.062 12.047 949 HE2 PHE 115 2HE PHE 115 -10.154 -8.279 9.459 950 HZ PHE 115 HZ PHE 115 -9.061 -8.802 11.657 951 H GLY 116 H GLY 116 -12.181 -14.711 9.701 952 HA2 GLY 116 1HA GLY 116 -10.580 -15.447 11.887 953 HA3 GLY 116 2HA GLY 116 -12.189 -16.096 11.493 954 H1 GLY 330 H GLY 330 22.355 -5.583 2.663 955 HA2 GLY 330 1HA GLY 330 23.736 -7.937 3.808 956 HA3 GLY 330 2HA GLY 330 22.144 -8.007 3.034 957 H ALA 331 H ALA 331 23.297 -9.634 1.734 958 HA ALA 331 HA ALA 331 24.249 -8.414 -0.778 959 HB1 ALA 331 1HB ALA 331 26.234 -9.793 -0.870 960 HB2 ALA 331 2HB ALA 331 26.284 -8.839 0.610 961 HB3 ALA 331 3HB ALA 331 25.848 -10.565 0.685 962 H MET 332 H MET 332 21.808 -9.926 0.293 963 HA MET 332 HA MET 332 21.925 -12.500 -1.107 964 HB2 MET 332 1HB MET 332 19.677 -11.192 0.482 965 HB3 MET 332 2HB MET 332 19.624 -12.801 -0.246 966 HG2 MET 332 1HG MET 332 21.480 -11.865 1.957 967 HG3 MET 332 2HG MET 332 20.145 -13.007 2.095 968 HE1 MET 332 1HE MET 332 23.403 -15.146 2.751 969 HE2 MET 332 2HE MET 332 23.087 -13.455 3.197 970 HE3 MET 332 3HE MET 332 21.813 -14.671 3.402 971 H GLU 333 H GLU 333 22.491 -10.699 -2.917 972 HA GLU 333 HA GLU 333 20.119 -9.856 -4.462 973 HB2 GLU 333 1HB GLU 333 22.237 -8.532 -4.081 974 HB3 GLU 333 2HB GLU 333 23.108 -9.718 -5.053 975 HG2 GLU 333 1HG GLU 333 21.642 -9.096 -7.009 976 HG3 GLU 333 2HG GLU 333 20.859 -7.876 -5.983 977 H ILE 334 H ILE 334 19.871 -12.403 -4.033 978 HA ILE 334 HA ILE 334 21.267 -14.196 -5.801 979 HB ILE 334 HB ILE 334 19.728 -15.878 -4.898 980 HG12 ILE 334 1HG1 ILE 334 18.387 -13.527 -3.475 981 HG13 ILE 334 2HG1 ILE 334 17.674 -14.579 -4.699 982 HG21 ILE 334 1HG2 ILE 334 21.816 -15.265 -3.738 983 HG22 ILE 334 2HG2 ILE 334 20.902 -14.138 -2.697 984 HG23 ILE 334 3HG2 ILE 334 20.591 -15.882 -2.640 985 HD11 ILE 334 1HD1 ILE 334 17.954 -16.506 -3.105 986 HD12 ILE 334 2HD1 ILE 334 18.450 -15.330 -1.862 987 HD13 ILE 334 3HD1 ILE 334 16.834 -15.228 -2.580 988 H ILE 335 H ILE 335 20.418 -15.414 -7.436 989 HA ILE 335 HA ILE 335 18.996 -14.000 -9.414 990 HB ILE 335 HB ILE 335 18.921 -16.334 -10.525 991 HG12 ILE 335 1HG1 ILE 335 20.939 -17.065 -8.367 992 HG13 ILE 335 2HG1 ILE 335 19.256 -17.535 -8.247 993 HG21 ILE 335 1HG2 ILE 335 21.550 -15.054 -9.699 994 HG22 ILE 335 2HG2 ILE 335 21.318 -16.154 -11.079 995 HG23 ILE 335 3HG2 ILE 335 20.521 -14.578 -11.066 996 HD11 ILE 335 1HD1 ILE 335 21.181 -18.338 -10.447 997 HD12 ILE 335 2HD1 ILE 335 20.538 -19.362 -9.155 998 HD13 ILE 335 3HD1 ILE 335 19.445 -18.755 -10.408 999 H HIS 336 H HIS 336 17.692 -16.527 -7.153 1000 HA HIS 336 HA HIS 336 15.097 -16.329 -8.566 1001 HB2 HIS 336 1HB HIS 336 15.931 -18.077 -6.239 1002 HB3 HIS 336 2HB HIS 336 14.320 -17.963 -6.886 1003 HD1 HIS 336 HD1 HIS 336 13.672 -19.735 -8.486 1004 HD2 HIS 336 HD2 HIS 336 17.816 -19.066 -8.297 1005 HE1 HIS 336 HE1 HIS 336 14.772 -21.540 -9.952 1006 H GLU 337 H GLU 337 15.607 -13.825 -7.791 1007 HA GLU 337 HA GLU 337 14.822 -13.295 -5.056 1008 HB2 GLU 337 1HB GLU 337 14.423 -10.952 -5.853 1009 HB3 GLU 337 2HB GLU 337 16.068 -11.579 -6.027 1010 HG2 GLU 337 1HG GLU 337 15.823 -11.814 -8.434 1011 HG3 GLU 337 2HG GLU 337 14.131 -11.373 -8.350 1012 H ASP 338 H ASP 338 12.887 -14.010 -4.377 1013 HA ASP 338 HA ASP 338 10.693 -14.674 -6.116 1014 HB2 ASP 338 1HB ASP 338 10.834 -14.323 -3.083 1015 HB3 ASP 338 2HB ASP 338 9.445 -14.976 -3.943 1016 H ASN 339 H ASN 339 11.466 -11.976 -4.058 1017 HA ASN 339 HA ASN 339 8.975 -10.562 -4.795 1018 HB2 ASN 339 1HB ASN 339 9.301 -9.367 -2.656 1019 HB3 ASN 339 2HB ASN 339 8.943 -11.070 -2.482 1020 HD21 ASN 339 1HD2 ASN 339 12.121 -12.071 -1.132 1021 HD22 ASN 339 2HD2 ASN 339 10.780 -12.597 -2.079 1022 H GLU 340 H GLU 340 9.508 -9.376 -6.518 1023 HA GLU 340 HA GLU 340 12.082 -8.203 -6.997 1024 HB2 GLU 340 1HB GLU 340 10.427 -9.075 -8.702 1025 HB3 GLU 340 2HB GLU 340 9.338 -7.765 -8.264 1026 HG2 GLU 340 1HG GLU 340 11.400 -6.216 -8.942 1027 HG3 GLU 340 2HG GLU 340 11.941 -7.655 -9.794 1028 H TRP 341 H TRP 341 8.928 -6.922 -5.883 1029 HA TRP 341 HA TRP 341 8.239 -4.910 -5.164 1030 HB2 TRP 341 2HB TRP 341 11.083 -4.578 -4.211 1031 HB3 TRP 341 3HB TRP 341 9.694 -3.654 -3.661 1032 HD1 TRP 341 HD1 TRP 341 11.673 -6.601 -2.841 1033 HE1 TRP 341 1HE TRP 341 10.561 -8.107 -1.131 1034 HE3 TRP 341 3HE TRP 341 6.939 -4.707 -3.198 1035 HZ2 TRP 341 2HZ TRP 341 7.838 -8.541 -0.141 1036 HZ3 TRP 341 3HZ TRP 341 5.065 -5.821 -2.002 1037 HH2 TRP 341 HH2 TRP 341 5.497 -7.732 -0.481 1038 H GLY 342 H GLY 342 8.254 -4.688 -7.764 1039 HA2 GLY 342 1HA GLY 342 10.059 -2.708 -8.836 1040 HA3 GLY 342 2HA GLY 342 8.586 -3.316 -9.578 1041 H ILE 343 H ILE 343 9.788 -0.499 -8.876 1042 HA ILE 343 HA ILE 343 7.785 0.811 -7.226 1043 HB ILE 343 HB ILE 343 9.821 2.040 -9.129 1044 HG12 ILE 343 1HG1 ILE 343 10.202 1.652 -6.115 1045 HG13 ILE 343 2HG1 ILE 343 10.898 0.586 -7.322 1046 HG21 ILE 343 1HG2 ILE 343 9.560 4.066 -7.788 1047 HG22 ILE 343 2HG2 ILE 343 7.977 3.548 -8.346 1048 HG23 ILE 343 3HG2 ILE 343 8.456 3.221 -6.671 1049 HD11 ILE 343 1HD1 ILE 343 11.949 2.697 -8.397 1050 HD12 ILE 343 2HD1 ILE 343 11.603 3.469 -6.831 1051 HD13 ILE 343 3HD1 ILE 343 12.654 2.039 -6.923 1052 H GLU 344 H GLU 344 5.733 1.264 -7.939 1053 HA GLU 344 HA GLU 344 5.298 1.739 -10.846 1054 HB2 GLU 344 1HB GLU 344 4.502 -0.481 -10.030 1055 HB3 GLU 344 2HB GLU 344 3.554 0.309 -8.779 1056 HG2 GLU 344 1HG GLU 344 2.111 -0.283 -10.686 1057 HG3 GLU 344 2HG GLU 344 2.156 1.452 -10.466 1058 H LEU 345 H LEU 345 3.796 3.392 -11.361 1059 HA LEU 345 HA LEU 345 3.212 5.358 -9.191 1060 HB2 LEU 345 1HB LEU 345 4.483 6.281 -10.986 1061 HB3 LEU 345 2HB LEU 345 3.459 5.518 -12.210 1062 HG LEU 345 HG LEU 345 1.586 6.983 -11.673 1063 HD11 LEU 345 1HD1 LEU 345 1.884 7.384 -9.246 1064 HD12 LEU 345 2HD1 LEU 345 1.857 8.905 -10.127 1065 HD13 LEU 345 3HD1 LEU 345 3.406 8.240 -9.576 1066 HD21 LEU 345 1HD2 LEU 345 4.131 8.628 -11.937 1067 HD22 LEU 345 2HD2 LEU 345 2.510 9.017 -12.514 1068 HD23 LEU 345 3HD2 LEU 345 3.396 7.687 -13.261 1069 H VAL 346 H VAL 346 1.189 5.270 -8.359 1070 HA VAL 346 HA VAL 346 -1.061 4.432 -10.113 1071 HB VAL 346 HB VAL 346 -0.566 3.730 -7.196 1072 HG11 VAL 346 1HG1 VAL 346 -2.509 2.235 -7.432 1073 HG12 VAL 346 2HG1 VAL 346 -2.955 3.923 -7.709 1074 HG13 VAL 346 3HG1 VAL 346 -2.747 2.818 -9.096 1075 HG21 VAL 346 1HG2 VAL 346 0.944 2.378 -8.531 1076 HG22 VAL 346 2HG2 VAL 346 -0.423 1.350 -8.115 1077 HG23 VAL 346 3HG2 VAL 346 -0.325 2.052 -9.735 1078 H SER 347 H SER 347 -2.536 6.118 -10.333 1079 HA SER 347 HA SER 347 -3.303 7.662 -8.023 1080 HB2 SER 347 1HB SER 347 -2.713 9.906 -9.066 1081 HB3 SER 347 2HB SER 347 -1.424 8.977 -8.321 1082 HG SER 347 HG SER 347 -1.955 9.273 -11.091 1083 H GLU 348 H GLU 348 -5.083 9.242 -8.433 1084 HA GLU 348 HA GLU 348 -6.338 9.634 -10.849 1085 HB2 GLU 348 1HB GLU 348 -6.827 7.054 -10.230 1086 HB3 GLU 348 2HB GLU 348 -7.982 7.767 -9.123 1087 HG2 GLU 348 1HG GLU 348 -9.042 8.974 -11.042 1088 HG3 GLU 348 2HG GLU 348 -7.792 8.338 -12.126 Start of MODEL 8 1 H1 MET 1 H MET 1 4.626 -8.430 10.937 2 HA MET 1 HA MET 1 3.520 -10.536 11.114 3 HB2 MET 1 1HB MET 1 1.415 -9.421 9.969 4 HB3 MET 1 2HB MET 1 2.115 -9.994 8.474 5 HG2 MET 1 1HG MET 1 2.120 -12.086 10.549 6 HG3 MET 1 2HG MET 1 0.513 -11.424 10.343 7 HE1 MET 1 1HE MET 1 -1.088 -11.880 8.446 8 HE2 MET 1 2HE MET 1 -0.069 -10.803 7.466 9 HE3 MET 1 3HE MET 1 -0.579 -12.370 6.811 10 H GLY 2 H GLY 2 3.496 -12.297 8.900 11 HA2 GLY 2 1HA GLY 2 6.260 -12.511 8.216 12 HA3 GLY 2 2HA GLY 2 4.900 -13.478 7.602 13 H TRP 3 H TRP 3 6.948 -10.717 7.064 14 HA TRP 3 HA TRP 3 5.439 -9.890 4.653 15 HB2 TRP 3 2HB TRP 3 7.605 -8.522 6.305 16 HB3 TRP 3 3HB TRP 3 6.952 -7.902 4.795 17 HD1 TRP 3 HD1 TRP 3 6.744 -6.947 8.077 18 HE1 TRP 3 1HE TRP 3 4.656 -5.678 8.600 19 HE3 TRP 3 3HE TRP 3 3.880 -8.669 4.215 20 HZ2 TRP 3 2HZ TRP 3 1.858 -5.572 7.528 21 HZ3 TRP 3 3HZ TRP 3 1.646 -7.983 3.925 22 HH2 TRP 3 HH2 TRP 3 0.563 -6.326 5.536 23 H MET 4 H MET 4 6.254 -10.300 2.737 24 HA MET 4 HA MET 4 8.612 -12.005 2.553 25 HB2 MET 4 1HB MET 4 6.813 -10.681 0.515 26 HB3 MET 4 2HB MET 4 8.410 -11.255 0.008 27 HG2 MET 4 1HG MET 4 7.959 -13.472 0.959 28 HG3 MET 4 2HG MET 4 6.336 -12.963 1.427 29 HE1 MET 4 1HE MET 4 6.514 -15.607 -1.752 30 HE2 MET 4 2HE MET 4 7.679 -15.403 -0.435 31 HE3 MET 4 3HE MET 4 5.952 -15.510 -0.068 32 H PHE 5 H PHE 5 8.099 -8.481 1.958 33 HA PHE 5 HA PHE 5 10.757 -8.049 1.122 34 HB2 PHE 5 2HB PHE 5 10.466 -5.791 1.353 35 HB3 PHE 5 3HB PHE 5 8.847 -6.351 0.990 36 HD1 PHE 5 1HD PHE 5 11.084 -4.970 3.620 37 HD2 PHE 5 2HD PHE 5 7.046 -6.159 2.668 38 HE1 PHE 5 1HE PHE 5 10.288 -4.048 5.777 39 HE2 PHE 5 2HE PHE 5 6.281 -5.251 4.853 40 HZ PHE 5 HZ PHE 5 7.928 -4.278 6.437 41 H LYS 6 H LYS 6 9.455 -7.744 4.508 42 HA LYS 6 HA LYS 6 12.039 -7.184 5.536 43 HB2 LYS 6 1HB LYS 6 9.811 -6.743 6.715 44 HB3 LYS 6 2HB LYS 6 9.801 -8.435 7.193 45 HG2 LYS 6 1HG LYS 6 12.314 -6.830 7.695 46 HG3 LYS 6 2HG LYS 6 10.927 -6.453 8.691 47 HD2 LYS 6 1HD LYS 6 10.942 -8.452 9.799 48 HD3 LYS 6 2HD LYS 6 11.628 -9.367 8.470 49 HE2 LYS 6 1HE LYS 6 13.172 -7.405 10.218 50 HE3 LYS 6 2HE LYS 6 13.140 -9.155 10.414 51 HZ1 LYS 6 1HZ LYS 6 14.543 -7.589 8.406 52 HZ2 LYS 6 2HZ LYS 6 13.957 -9.038 7.910 53 HZ3 LYS 6 3HZ LYS 6 15.013 -8.914 9.167 54 H GLU 7 H GLU 7 10.511 -10.321 4.791 55 HA GLU 7 HA GLU 7 12.277 -11.840 6.411 56 HB2 GLU 7 1HB GLU 7 10.181 -12.667 5.088 57 HB3 GLU 7 2HB GLU 7 11.241 -12.726 3.686 58 HG2 GLU 7 1HG GLU 7 11.173 -14.901 4.734 59 HG3 GLU 7 2HG GLU 7 12.783 -14.235 4.962 60 H ASP 8 H ASP 8 12.469 -10.627 3.041 61 HA ASP 8 HA ASP 8 15.092 -11.643 2.589 62 HB2 ASP 8 1HB ASP 8 13.198 -10.661 0.868 63 HB3 ASP 8 2HB ASP 8 14.132 -9.222 1.079 64 H HIS 9 H HIS 9 14.223 -8.175 2.733 65 HA HIS 9 HA HIS 9 16.219 -7.405 4.706 66 HB2 HIS 9 1HB HIS 9 17.207 -5.739 2.973 67 HB3 HIS 9 2HB HIS 9 17.761 -7.406 2.924 68 HD1 HIS 9 HD1 HIS 9 14.427 -6.649 1.234 69 HD2 HIS 9 HD2 HIS 9 18.495 -7.270 0.377 70 HE1 HIS 9 HE1 HIS 9 14.553 -7.309 -1.257 71 H SER 10 H SER 10 15.588 -5.351 5.615 72 HA SER 10 HA SER 10 13.289 -4.033 4.232 73 HB2 SER 10 1HB SER 10 12.538 -3.410 6.526 74 HB3 SER 10 2HB SER 10 12.388 -5.115 6.112 75 HG SER 10 HG SER 10 13.813 -3.889 8.053 76 H LEU 11 H LEU 11 15.530 -3.196 6.865 77 HA LEU 11 HA LEU 11 15.627 -0.522 6.631 78 HB2 LEU 11 1HB LEU 11 16.616 -1.756 8.349 79 HB3 LEU 11 2HB LEU 11 17.784 -2.542 7.302 80 HG LEU 11 HG LEU 11 17.852 0.442 7.929 81 HD11 LEU 11 1HD1 LEU 11 17.996 -0.960 10.010 82 HD12 LEU 11 2HD1 LEU 11 19.521 -0.122 9.652 83 HD13 LEU 11 3HD1 LEU 11 19.342 -1.849 9.295 84 HD21 LEU 11 1HD2 LEU 11 19.807 -1.531 6.675 85 HD22 LEU 11 2HD2 LEU 11 20.363 -0.045 7.463 86 HD23 LEU 11 3HD2 LEU 11 19.291 0.066 6.081 87 H GLU 12 H GLU 12 18.095 -2.498 4.862 88 HA GLU 12 HA GLU 12 19.073 -0.191 3.500 89 HB2 GLU 12 1HB GLU 12 20.302 -2.371 3.825 90 HB3 GLU 12 2HB GLU 12 19.309 -3.060 2.530 91 HG2 GLU 12 1HG GLU 12 21.239 -2.392 1.407 92 HG3 GLU 12 2HG GLU 12 20.162 -1.058 1.067 93 H HIS 13 H HIS 13 16.803 -2.722 2.408 94 HA HIS 13 HA HIS 13 16.451 -1.778 -0.223 95 HB2 HIS 13 1HB HIS 13 15.689 -3.977 0.767 96 HB3 HIS 13 2HB HIS 13 14.325 -3.131 1.485 97 HD1 HIS 13 HD1 HIS 13 15.177 -5.031 -1.510 98 HD2 HIS 13 HD2 HIS 13 12.837 -1.644 -0.625 99 HE1 HIS 13 HE1 HIS 13 13.385 -4.903 -3.320 100 H ARG 14 H ARG 14 14.667 -0.944 2.760 101 HA ARG 14 HA ARG 14 12.795 0.891 1.587 102 HB2 ARG 14 1HB ARG 14 13.878 0.394 4.383 103 HB3 ARG 14 2HB ARG 14 12.927 1.815 4.066 104 HG2 ARG 14 1HG ARG 14 11.807 -0.332 5.015 105 HG3 ARG 14 2HG ARG 14 10.943 0.697 3.880 106 HD2 ARG 14 1HD ARG 14 12.425 -1.820 3.102 107 HD3 ARG 14 2HD ARG 14 10.795 -1.838 3.777 108 HE ARG 14 HE ARG 14 10.618 -0.047 1.667 109 HH11 ARG 14 1HH1 ARG 14 11.320 -3.405 2.268 110 HH12 ARG 14 2HH1 ARG 14 10.785 -3.975 0.688 111 HH21 ARG 14 1HH2 ARG 14 9.977 -0.790 -0.553 112 HH22 ARG 14 2HH2 ARG 14 9.942 -2.521 -0.795 113 H CYS 15 H CYS 15 16.057 1.422 3.155 114 HA CYS 15 HA CYS 15 15.945 4.222 2.813 115 HB2 CYS 15 2HB CYS 15 17.568 3.014 4.276 116 HB3 CYS 15 3HB CYS 15 18.471 2.526 2.826 117 HG CYS 15 HG CYS 15 17.569 5.621 3.676 118 H VAL 16 H VAL 16 17.507 1.754 0.664 119 HA VAL 16 HA VAL 16 18.395 3.597 -1.275 120 HB VAL 16 HB VAL 16 17.598 0.658 -1.432 121 HG11 VAL 16 1HG1 VAL 16 18.880 0.534 -3.561 122 HG12 VAL 16 2HG1 VAL 16 17.412 1.486 -3.721 123 HG13 VAL 16 3HG1 VAL 16 18.985 2.304 -3.591 124 HG21 VAL 16 1HG2 VAL 16 20.022 0.269 -1.421 125 HG22 VAL 16 2HG2 VAL 16 20.325 2.029 -1.408 126 HG23 VAL 16 3HG2 VAL 16 19.582 1.235 -0.015 127 H GLU 17 H GLU 17 15.310 1.756 -1.132 128 HA GLU 17 HA GLU 17 14.211 2.717 -3.540 129 HB2 GLU 17 1HB GLU 17 13.482 0.738 -2.178 130 HB3 GLU 17 2HB GLU 17 12.804 1.845 -0.977 131 HG2 GLU 17 1HG GLU 17 11.662 2.661 -3.402 132 HG3 GLU 17 2HG GLU 17 11.812 0.939 -3.594 133 H SER 18 H SER 18 13.649 3.893 -0.152 134 HA SER 18 HA SER 18 11.964 6.011 -0.868 135 HB2 SER 18 1HB SER 18 12.619 7.025 1.315 136 HB3 SER 18 2HB SER 18 12.013 5.355 1.389 137 HG SER 18 HG SER 18 14.046 4.617 1.685 138 H ALA 19 H ALA 19 15.560 6.104 -0.396 139 HA ALA 19 HA ALA 19 15.892 8.812 -0.927 140 HB1 ALA 19 1HB ALA 19 17.744 6.538 -1.770 141 HB2 ALA 19 2HB ALA 19 18.202 8.233 -1.487 142 HB3 ALA 19 3HB ALA 19 17.642 7.228 -0.142 143 H LYS 20 H LYS 20 15.690 6.141 -3.314 144 HA LYS 20 HA LYS 20 16.157 7.860 -5.599 145 HB2 LYS 20 1HB LYS 20 14.949 5.065 -5.427 146 HB3 LYS 20 2HB LYS 20 15.268 5.926 -6.928 147 HG2 LYS 20 1HG LYS 20 17.701 6.263 -5.746 148 HG3 LYS 20 2HG LYS 20 17.242 4.745 -5.007 149 HD2 LYS 20 1HD LYS 20 17.451 5.302 -7.982 150 HD3 LYS 20 2HD LYS 20 18.643 4.467 -6.976 151 HE2 LYS 20 1HE LYS 20 16.860 2.737 -6.434 152 HE3 LYS 20 2HE LYS 20 15.831 3.531 -7.646 153 HZ1 LYS 20 1HZ LYS 20 16.923 1.771 -8.711 154 HZ2 LYS 20 2HZ LYS 20 18.421 2.182 -8.138 155 HZ3 LYS 20 3HZ LYS 20 17.657 3.110 -9.267 156 H ILE 21 H ILE 21 13.188 6.736 -3.937 157 HA ILE 21 HA ILE 21 11.402 7.913 -5.873 158 HB ILE 21 HB ILE 21 11.061 7.071 -2.967 159 HG12 ILE 21 1HG1 ILE 21 9.966 5.723 -5.468 160 HG13 ILE 21 2HG1 ILE 21 11.552 5.334 -4.867 161 HG21 ILE 21 1HG2 ILE 21 8.610 7.207 -3.304 162 HG22 ILE 21 2HG2 ILE 21 9.327 8.780 -3.488 163 HG23 ILE 21 3HG2 ILE 21 8.859 7.870 -4.938 164 HD11 ILE 21 1HD1 ILE 21 10.680 4.655 -2.702 165 HD12 ILE 21 2HD1 ILE 21 9.047 5.094 -3.168 166 HD13 ILE 21 3HD1 ILE 21 9.851 3.766 -4.012 167 H ARG 22 H ARG 22 12.748 9.099 -2.726 168 HA ARG 22 HA ARG 22 11.265 11.499 -2.666 169 HB2 ARG 22 1HB ARG 22 14.005 10.827 -1.506 170 HB3 ARG 22 2HB ARG 22 13.099 12.285 -1.112 171 HG2 ARG 22 1HG ARG 22 11.461 9.827 -0.766 172 HG3 ARG 22 2HG ARG 22 12.937 9.791 0.186 173 HD2 ARG 22 1HD ARG 22 10.975 10.696 1.401 174 HD3 ARG 22 2HD ARG 22 12.363 11.749 1.380 175 HE ARG 22 HE ARG 22 9.974 12.020 -0.411 176 HH11 ARG 22 1HH1 ARG 22 12.354 13.510 1.759 177 HH12 ARG 22 2HH1 ARG 22 11.506 15.023 1.867 178 HH21 ARG 22 1HH2 ARG 22 9.053 14.172 -0.531 179 HH22 ARG 22 2HH2 ARG 22 9.898 15.506 0.210 180 H ALA 23 H ALA 23 14.378 10.663 -4.270 181 HA ALA 23 HA ALA 23 14.835 13.390 -5.121 182 HB1 ALA 23 1HB ALA 23 15.782 10.757 -6.332 183 HB2 ALA 23 2HB ALA 23 16.390 12.374 -6.756 184 HB3 ALA 23 3HB ALA 23 16.635 11.745 -5.112 185 H LYS 24 H LYS 24 13.222 10.607 -6.793 186 HA LYS 24 HA LYS 24 12.613 12.200 -9.147 187 HB2 LYS 24 1HB LYS 24 11.813 9.428 -8.185 188 HB3 LYS 24 2HB LYS 24 11.272 10.100 -9.730 189 HG2 LYS 24 1HG LYS 24 13.523 10.345 -10.539 190 HG3 LYS 24 2HG LYS 24 14.216 9.869 -8.975 191 HD2 LYS 24 1HD LYS 24 13.363 7.628 -9.167 192 HD3 LYS 24 2HD LYS 24 12.360 8.075 -10.565 193 HE2 LYS 24 1HE LYS 24 14.451 8.636 -11.825 194 HE3 LYS 24 2HE LYS 24 15.415 8.047 -10.462 195 HZ1 LYS 24 1HZ LYS 24 15.151 6.322 -12.119 196 HZ2 LYS 24 2HZ LYS 24 13.516 6.458 -12.076 197 HZ3 LYS 24 3HZ LYS 24 14.351 5.884 -10.757 198 H TYR 25 H TYR 25 10.520 10.991 -6.519 199 HA TYR 25 HA TYR 25 8.311 12.758 -7.392 200 HB2 TYR 25 2HB TYR 25 7.951 9.920 -6.381 201 HB3 TYR 25 3HB TYR 25 6.731 11.023 -6.995 202 HD1 TYR 25 1HD TYR 25 9.088 8.364 -7.772 203 HD2 TYR 25 2HD TYR 25 6.690 11.528 -9.500 204 HE1 TYR 25 1HE TYR 25 9.044 7.171 -9.898 205 HE2 TYR 25 2HE TYR 25 6.628 10.293 -11.650 206 HH TYR 25 HH TYR 25 7.890 6.959 -11.902 207 HA PRO 26 HA PRO 26 9.560 13.140 -2.893 208 HB2 PRO 26 2HB PRO 26 9.413 15.880 -2.701 209 HB3 PRO 26 3HB PRO 26 10.852 15.011 -3.298 210 HG2 PRO 26 2HG PRO 26 8.637 16.303 -4.922 211 HG3 PRO 26 3HG PRO 26 10.403 16.435 -5.174 212 HD2 PRO 26 2HD PRO 26 8.846 14.696 -6.582 213 HD3 PRO 26 3HD PRO 26 10.535 14.276 -6.109 214 H ASP 27 H ASP 27 6.930 14.392 -4.812 215 HA ASP 27 HA ASP 27 5.117 14.993 -2.583 216 HB2 ASP 27 1HB ASP 27 5.402 16.392 -4.646 217 HB3 ASP 27 2HB ASP 27 4.812 15.037 -5.616 218 H ARG 28 H ARG 28 6.118 12.114 -3.593 219 HA ARG 28 HA ARG 28 3.393 10.916 -3.413 220 HB2 ARG 28 1HB ARG 28 5.704 9.950 -5.160 221 HB3 ARG 28 2HB ARG 28 4.321 8.944 -4.699 222 HG2 ARG 28 1HG ARG 28 2.796 10.695 -5.625 223 HG3 ARG 28 2HG ARG 28 4.192 11.540 -6.284 224 HD2 ARG 28 1HD ARG 28 4.507 9.904 -7.936 225 HD3 ARG 28 2HD ARG 28 3.752 8.629 -6.971 226 HE ARG 28 HE ARG 28 1.859 8.989 -8.073 227 HH11 ARG 28 1HH1 ARG 28 3.461 12.159 -7.941 228 HH12 ARG 28 2HH1 ARG 28 2.133 13.016 -8.604 229 HH21 ARG 28 1HH2 ARG 28 0.140 10.143 -9.280 230 HH22 ARG 28 2HH2 ARG 28 0.346 11.839 -9.512 231 H VAL 29 H VAL 29 3.302 8.925 -2.230 232 HA VAL 29 HA VAL 29 5.520 8.709 -0.300 233 HB VAL 29 HB VAL 29 3.948 8.208 1.434 234 HG11 VAL 29 1HG1 VAL 29 4.540 10.546 1.013 235 HG12 VAL 29 2HG1 VAL 29 3.131 10.704 -0.062 236 HG13 VAL 29 3HG1 VAL 29 2.894 10.388 1.656 237 HG21 VAL 29 1HG2 VAL 29 1.524 8.467 1.154 238 HG22 VAL 29 2HG2 VAL 29 1.720 8.750 -0.579 239 HG23 VAL 29 3HG2 VAL 29 2.099 7.152 0.126 240 HA PRO 30 HA PRO 30 5.885 4.548 -1.811 241 HB2 PRO 30 2HB PRO 30 7.740 3.605 -0.072 242 HB3 PRO 30 3HB PRO 30 8.102 4.960 -1.172 243 HG2 PRO 30 2HG PRO 30 7.298 5.101 1.741 244 HG3 PRO 30 3HG PRO 30 8.656 5.933 0.922 245 HD2 PRO 30 2HD PRO 30 6.184 7.092 1.352 246 HD3 PRO 30 3HD PRO 30 7.244 7.500 -0.032 247 H VAL 31 H VAL 31 4.376 2.967 -1.665 248 HA VAL 31 HA VAL 31 3.543 2.037 1.017 249 HB VAL 31 HB VAL 31 1.820 2.531 -1.412 250 HG11 VAL 31 1HG1 VAL 31 0.903 0.692 -0.048 251 HG12 VAL 31 2HG1 VAL 31 1.096 1.658 1.434 252 HG13 VAL 31 3HG1 VAL 31 -0.085 2.126 0.192 253 HG21 VAL 31 1HG2 VAL 31 2.379 4.687 -0.474 254 HG22 VAL 31 2HG2 VAL 31 0.717 4.303 -0.026 255 HG23 VAL 31 3HG2 VAL 31 2.015 4.130 1.161 256 H ILE 32 H ILE 32 3.189 -0.176 1.214 257 HA ILE 32 HA ILE 32 3.736 -1.923 -1.158 258 HB ILE 32 HB ILE 32 4.411 -2.504 1.757 259 HG12 ILE 32 1HG1 ILE 32 6.030 -0.935 0.879 260 HG13 ILE 32 2HG1 ILE 32 6.762 -2.506 1.106 261 HG21 ILE 32 1HG2 ILE 32 4.802 -4.142 -0.787 262 HG22 ILE 32 2HG2 ILE 32 5.509 -4.548 0.795 263 HG23 ILE 32 3HG2 ILE 32 3.758 -4.529 0.580 264 HD11 ILE 32 1HD1 ILE 32 6.703 -2.935 -1.336 265 HD12 ILE 32 2HD1 ILE 32 5.884 -1.376 -1.590 266 HD13 ILE 32 3HD1 ILE 32 7.533 -1.415 -0.975 267 H VAL 33 H VAL 33 1.926 -2.988 -1.732 268 HA VAL 33 HA VAL 33 -0.368 -3.178 0.143 269 HB VAL 33 HB VAL 33 -0.138 -3.079 -2.902 270 HG11 VAL 33 1HG1 VAL 33 -2.523 -2.943 -3.072 271 HG12 VAL 33 2HG1 VAL 33 -2.144 -4.397 -2.143 272 HG13 VAL 33 3HG1 VAL 33 -2.727 -2.936 -1.316 273 HG21 VAL 33 1HG2 VAL 33 0.306 -0.874 -1.961 274 HG22 VAL 33 2HG2 VAL 33 -1.289 -0.876 -2.694 275 HG23 VAL 33 3HG2 VAL 33 -1.133 -0.990 -0.926 276 H GLU 34 H GLU 34 -0.409 -5.286 1.079 277 HA GLU 34 HA GLU 34 0.231 -7.567 -0.788 278 HB2 GLU 34 1HB GLU 34 0.528 -7.374 2.212 279 HB3 GLU 34 2HB GLU 34 0.906 -8.793 1.252 280 HG2 GLU 34 1HG GLU 34 2.372 -6.139 1.079 281 HG3 GLU 34 2HG GLU 34 2.859 -7.526 2.050 282 H LYS 35 H LYS 35 -1.105 -9.504 -0.498 283 HA LYS 35 HA LYS 35 -3.714 -8.862 0.719 284 HB2 LYS 35 1HB LYS 35 -4.700 -10.572 -0.537 285 HB3 LYS 35 2HB LYS 35 -3.688 -9.599 -1.577 286 HG2 LYS 35 1HG LYS 35 -3.341 -11.672 -2.391 287 HG3 LYS 35 2HG LYS 35 -1.910 -11.461 -1.387 288 HD2 LYS 35 1HD LYS 35 -2.753 -13.011 0.259 289 HD3 LYS 35 2HD LYS 35 -4.412 -12.872 -0.363 290 HE2 LYS 35 1HE LYS 35 -3.455 -15.023 -1.002 291 HE3 LYS 35 2HE LYS 35 -3.803 -14.026 -2.422 292 HZ1 LYS 35 1HZ LYS 35 -1.126 -14.463 -1.233 293 HZ2 LYS 35 2HZ LYS 35 -1.448 -13.449 -2.516 294 HZ3 LYS 35 3HZ LYS 35 -1.679 -15.020 -2.678 295 H VAL 36 H VAL 36 -4.730 -10.131 2.248 296 HA VAL 36 HA VAL 36 -3.064 -11.263 4.290 297 HB VAL 36 HB VAL 36 -6.079 -11.156 3.843 298 HG11 VAL 36 1HG1 VAL 36 -4.594 -12.018 6.369 299 HG12 VAL 36 2HG1 VAL 36 -6.337 -11.697 6.250 300 HG13 VAL 36 3HG1 VAL 36 -5.630 -13.043 5.358 301 HG21 VAL 36 1HG2 VAL 36 -6.011 -9.390 5.568 302 HG22 VAL 36 2HG2 VAL 36 -4.254 -9.581 5.729 303 HG23 VAL 36 3HG2 VAL 36 -4.956 -8.949 4.231 304 H SER 37 H SER 37 -2.636 -13.410 4.748 305 HA SER 37 HA SER 37 -2.453 -15.306 2.741 306 HB2 SER 37 1HB SER 37 -2.831 -15.866 5.717 307 HB3 SER 37 2HB SER 37 -2.030 -16.902 4.524 308 HG SER 37 HG SER 37 -0.343 -15.910 5.259 309 H GLY 38 H GLY 38 -3.625 -17.048 2.096 310 HA2 GLY 38 1HA GLY 38 -5.371 -18.327 1.515 311 HA3 GLY 38 2HA GLY 38 -5.891 -18.192 3.190 312 H SER 39 H SER 39 -5.986 -15.060 1.985 313 HA SER 39 HA SER 39 -8.755 -14.907 2.093 314 HB2 SER 39 1HB SER 39 -6.972 -13.061 2.281 315 HB3 SER 39 2HB SER 39 -7.022 -12.975 0.517 316 HG SER 39 HG SER 39 -8.899 -12.372 2.499 317 H GLN 40 H GLN 40 -10.356 -14.652 0.619 318 HA GLN 40 HA GLN 40 -10.139 -16.163 -1.846 319 HB2 GLN 40 1HB GLN 40 -12.267 -15.150 -0.041 320 HB3 GLN 40 2HB GLN 40 -12.697 -14.998 -1.733 321 HG2 GLN 40 1HG GLN 40 -13.455 -17.137 -0.803 322 HG3 GLN 40 2HG GLN 40 -12.349 -17.337 -2.153 323 HE21 GLN 40 1HE2 GLN 40 -10.840 -18.356 1.577 324 HE22 GLN 40 2HE2 GLN 40 -11.755 -16.879 1.513 325 H ILE 41 H ILE 41 -9.183 -13.032 -1.316 326 HA ILE 41 HA ILE 41 -10.420 -11.890 -3.727 327 HB ILE 41 HB ILE 41 -10.088 -10.558 -1.683 328 HG12 ILE 41 1HG1 ILE 41 -9.158 -8.525 -2.658 329 HG13 ILE 41 2HG1 ILE 41 -8.507 -9.436 -4.020 330 HG21 ILE 41 1HG2 ILE 41 -7.938 -11.491 -0.889 331 HG22 ILE 41 2HG2 ILE 41 -7.098 -10.714 -2.237 332 HG23 ILE 41 3HG2 ILE 41 -7.886 -9.729 -0.988 333 HD11 ILE 41 1HD1 ILE 41 -11.462 -9.200 -3.308 334 HD12 ILE 41 2HD1 ILE 41 -10.603 -8.235 -4.527 335 HD13 ILE 41 3HD1 ILE 41 -10.787 -9.976 -4.764 336 H VAL 42 H VAL 42 -9.053 -11.086 -5.533 337 HA VAL 42 HA VAL 42 -7.221 -13.098 -6.364 338 HB VAL 42 HB VAL 42 -6.862 -11.685 -8.334 339 HG11 VAL 42 1HG1 VAL 42 -9.823 -11.714 -7.575 340 HG12 VAL 42 2HG1 VAL 42 -9.129 -11.685 -9.208 341 HG13 VAL 42 3HG1 VAL 42 -8.912 -13.106 -8.185 342 HG21 VAL 42 1HG2 VAL 42 -6.848 -9.482 -7.256 343 HG22 VAL 42 2HG2 VAL 42 -7.951 -9.560 -8.633 344 HG23 VAL 42 3HG2 VAL 42 -8.606 -9.587 -6.982 345 H ASP 43 H ASP 43 -5.013 -12.920 -6.798 346 HA ASP 43 HA ASP 43 -3.546 -11.654 -4.660 347 HB2 ASP 43 1HB ASP 43 -3.230 -13.933 -6.108 348 HB3 ASP 43 2HB ASP 43 -2.078 -12.917 -6.951 349 H ILE 44 H ILE 44 -1.446 -10.629 -5.031 350 HA ILE 44 HA ILE 44 -1.338 -8.689 -7.266 351 HB ILE 44 HB ILE 44 -2.228 -7.491 -5.390 352 HG12 ILE 44 1HG1 ILE 44 0.702 -6.757 -5.287 353 HG13 ILE 44 2HG1 ILE 44 -0.211 -6.585 -6.790 354 HG21 ILE 44 1HG2 ILE 44 0.033 -8.694 -3.724 355 HG22 ILE 44 2HG2 ILE 44 -0.911 -7.320 -3.198 356 HG23 ILE 44 3HG2 ILE 44 -1.711 -8.881 -3.474 357 HD11 ILE 44 1HD1 ILE 44 -1.777 -5.073 -5.761 358 HD12 ILE 44 2HD1 ILE 44 -0.994 -5.257 -4.175 359 HD13 ILE 44 3HD1 ILE 44 -0.122 -4.485 -5.511 360 H ASP 45 H ASP 45 0.787 -8.391 -8.090 361 HA ASP 45 HA ASP 45 2.738 -10.449 -7.261 362 HB2 ASP 45 1HB ASP 45 2.215 -9.338 -9.700 363 HB3 ASP 45 2HB ASP 45 3.483 -8.259 -9.170 364 H LYS 46 H LYS 46 4.977 -9.762 -6.570 365 HA LYS 46 HA LYS 46 4.821 -7.731 -4.521 366 HB2 LYS 46 1HB LYS 46 6.969 -9.564 -5.610 367 HB3 LYS 46 2HB LYS 46 7.449 -8.182 -4.629 368 HG2 LYS 46 1HG LYS 46 7.218 -9.895 -3.052 369 HG3 LYS 46 2HG LYS 46 5.773 -8.914 -2.890 370 HD2 LYS 46 1HD LYS 46 4.704 -10.741 -4.533 371 HD3 LYS 46 2HD LYS 46 6.076 -11.695 -3.981 372 HE2 LYS 46 1HE LYS 46 4.320 -12.228 -2.501 373 HE3 LYS 46 2HE LYS 46 5.351 -11.100 -1.613 374 HZ1 LYS 46 1HZ LYS 46 3.524 -9.902 -1.275 375 HZ2 LYS 46 2HZ LYS 46 2.635 -10.769 -2.398 376 HZ3 LYS 46 3HZ LYS 46 3.524 -9.498 -2.853 377 H ARG 47 H ARG 47 4.523 -5.709 -5.071 378 HA ARG 47 HA ARG 47 6.391 -4.391 -6.946 379 HB2 ARG 47 1HB ARG 47 3.360 -4.141 -6.888 380 HB3 ARG 47 2HB ARG 47 4.412 -3.116 -7.851 381 HG2 ARG 47 1HG ARG 47 4.356 -6.152 -8.197 382 HG3 ARG 47 2HG ARG 47 3.238 -5.113 -9.011 383 HD2 ARG 47 1HD ARG 47 6.196 -4.582 -9.273 384 HD3 ARG 47 2HD ARG 47 5.412 -5.863 -10.195 385 HE ARG 47 HE ARG 47 3.972 -3.370 -10.358 386 HH11 ARG 47 1HH1 ARG 47 6.555 -5.359 -11.928 387 HH12 ARG 47 2HH1 ARG 47 6.247 -4.632 -13.459 388 HH21 ARG 47 1HH2 ARG 47 3.573 -2.623 -12.489 389 HH22 ARG 47 2HH2 ARG 47 4.560 -3.166 -13.798 390 H LYS 48 H LYS 48 6.435 -2.107 -6.641 391 HA LYS 48 HA LYS 48 5.954 -1.230 -3.829 392 HB2 LYS 48 1HB LYS 48 7.839 0.262 -5.619 393 HB3 LYS 48 2HB LYS 48 7.873 0.020 -3.892 394 HG2 LYS 48 1HG LYS 48 8.510 -2.461 -4.457 395 HG3 LYS 48 2HG LYS 48 8.793 -1.846 -6.092 396 HD2 LYS 48 1HD LYS 48 10.242 -0.030 -4.762 397 HD3 LYS 48 2HD LYS 48 10.266 -1.331 -3.537 398 HE2 LYS 48 1HE LYS 48 11.065 -2.874 -5.376 399 HE3 LYS 48 2HE LYS 48 11.299 -1.471 -6.399 400 HZ1 LYS 48 1HZ LYS 48 13.215 -2.338 -5.200 401 HZ2 LYS 48 2HZ LYS 48 12.592 -1.910 -3.773 402 HZ3 LYS 48 3HZ LYS 48 12.993 -0.730 -4.902 403 H TYR 49 H TYR 49 4.200 0.202 -3.636 404 HA TYR 49 HA TYR 49 3.330 1.524 -6.143 405 HB2 TYR 49 2HB TYR 49 1.940 0.753 -3.552 406 HB3 TYR 49 3HB TYR 49 1.319 2.038 -4.576 407 HD1 TYR 49 1HD TYR 49 2.803 -0.893 -6.338 408 HD2 TYR 49 2HD TYR 49 -0.772 0.894 -4.712 409 HE1 TYR 49 1HE TYR 49 1.442 -2.422 -7.675 410 HE2 TYR 49 2HE TYR 49 -2.159 -0.624 -6.096 411 HH TYR 49 HH TYR 49 -2.084 -2.640 -7.398 412 H LEU 50 H LEU 50 3.246 3.648 -6.387 413 HA LEU 50 HA LEU 50 4.085 5.419 -4.124 414 HB2 LEU 50 1HB LEU 50 4.539 5.822 -7.097 415 HB3 LEU 50 2HB LEU 50 5.134 6.842 -5.788 416 HG LEU 50 HG LEU 50 6.002 3.971 -6.398 417 HD11 LEU 50 1HD1 LEU 50 7.429 6.639 -6.665 418 HD12 LEU 50 2HD1 LEU 50 6.954 5.522 -7.969 419 HD13 LEU 50 3HD1 LEU 50 8.212 5.047 -6.820 420 HD21 LEU 50 1HD2 LEU 50 7.637 4.187 -4.664 421 HD22 LEU 50 2HD2 LEU 50 6.043 4.349 -3.976 422 HD23 LEU 50 3HD2 LEU 50 7.010 5.811 -4.214 423 H VAL 51 H VAL 51 2.311 6.507 -3.361 424 HA VAL 51 HA VAL 51 0.222 7.368 -5.351 425 HB VAL 51 HB VAL 51 -1.235 7.436 -3.329 426 HG11 VAL 51 1HG1 VAL 51 -1.399 5.718 -5.027 427 HG12 VAL 51 2HG1 VAL 51 -0.122 4.760 -4.275 428 HG13 VAL 51 3HG1 VAL 51 -1.698 5.007 -3.449 429 HG21 VAL 51 1HG2 VAL 51 0.966 5.759 -2.052 430 HG22 VAL 51 2HG2 VAL 51 0.306 7.313 -1.493 431 HG23 VAL 51 3HG2 VAL 51 -0.705 5.876 -1.471 432 HA PRO 52 HA PRO 52 1.480 11.536 -4.334 433 HB2 PRO 52 2HB PRO 52 -0.614 13.003 -5.260 434 HB3 PRO 52 3HB PRO 52 0.499 12.132 -6.361 435 HG2 PRO 52 2HG PRO 52 -2.196 11.280 -5.341 436 HG3 PRO 52 3HG PRO 52 -1.674 11.251 -6.985 437 HD2 PRO 52 2HD PRO 52 -1.563 9.021 -5.372 438 HD3 PRO 52 3HD PRO 52 -0.291 9.312 -6.596 439 H SER 53 H SER 53 1.410 12.773 -2.588 440 HA SER 53 HA SER 53 -0.080 12.105 -0.304 441 HB2 SER 53 1HB SER 53 1.632 14.412 -1.187 442 HB3 SER 53 2HB SER 53 0.818 14.491 0.375 443 HG SER 53 HG SER 53 2.964 12.946 -0.423 444 H ASP 54 H ASP 54 -1.210 13.996 -2.982 445 HA ASP 54 HA ASP 54 -2.850 15.820 -1.366 446 HB2 ASP 54 1HB ASP 54 -1.876 16.118 -3.806 447 HB3 ASP 54 2HB ASP 54 -3.375 15.348 -4.296 448 H ILE 55 H ILE 55 -3.405 12.773 -3.190 449 HA ILE 55 HA ILE 55 -6.272 13.009 -2.926 450 HB ILE 55 HB ILE 55 -6.347 10.850 -3.957 451 HG12 ILE 55 1HG1 ILE 55 -3.631 10.127 -4.487 452 HG13 ILE 55 2HG1 ILE 55 -3.657 10.541 -2.796 453 HG21 ILE 55 1HG2 ILE 55 -5.750 13.103 -5.075 454 HG22 ILE 55 2HG2 ILE 55 -4.119 12.446 -5.275 455 HG23 ILE 55 3HG2 ILE 55 -5.530 11.661 -5.999 456 HD11 ILE 55 1HD1 ILE 55 -4.052 8.170 -3.149 457 HD12 ILE 55 2HD1 ILE 55 -5.437 8.941 -2.371 458 HD13 ILE 55 3HD1 ILE 55 -5.502 8.529 -4.108 459 H THR 56 H THR 56 -7.586 11.180 -1.959 460 HA THR 56 HA THR 56 -6.634 10.811 0.835 461 HB THR 56 HB THR 56 -9.051 10.715 1.389 462 HG1 THR 56 1HG THR 56 -9.405 11.674 -1.259 463 HG21 THR 56 1HG2 THR 56 -7.922 12.828 1.690 464 HG22 THR 56 2HG2 THR 56 -9.555 13.113 1.053 465 HG23 THR 56 3HG2 THR 56 -8.144 13.243 -0.020 466 H VAL 57 H VAL 57 -7.417 8.961 2.007 467 HA VAL 57 HA VAL 57 -6.635 6.542 0.915 468 HB VAL 57 HB VAL 57 -8.737 6.642 3.060 469 HG11 VAL 57 1HG1 VAL 57 -7.841 4.444 2.220 470 HG12 VAL 57 2HG1 VAL 57 -6.231 4.948 2.760 471 HG13 VAL 57 3HG1 VAL 57 -7.551 4.732 3.933 472 HG21 VAL 57 1HG2 VAL 57 -6.867 6.888 4.725 473 HG22 VAL 57 2HG2 VAL 57 -5.848 7.480 3.393 474 HG23 VAL 57 3HG2 VAL 57 -7.331 8.335 3.870 475 H ALA 58 H ALA 58 -9.826 8.091 0.722 476 HA ALA 58 HA ALA 58 -11.421 5.915 -0.179 477 HB1 ALA 58 1HB ALA 58 -11.544 8.900 -0.813 478 HB2 ALA 58 2HB ALA 58 -12.838 7.733 -1.114 479 HB3 ALA 58 3HB ALA 58 -12.338 8.094 0.547 480 H GLN 59 H GLN 59 -9.520 8.358 -2.066 481 HA GLN 59 HA GLN 59 -10.211 7.272 -4.610 482 HB2 GLN 59 1HB GLN 59 -7.749 8.913 -3.930 483 HB3 GLN 59 2HB GLN 59 -8.563 8.796 -5.482 484 HG2 GLN 59 1HG GLN 59 -9.584 10.162 -2.965 485 HG3 GLN 59 2HG GLN 59 -8.973 10.935 -4.420 486 HE21 GLN 59 1HE2 GLN 59 -12.268 11.282 -5.619 487 HE22 GLN 59 2HE2 GLN 59 -10.652 11.931 -5.444 488 H PHE 60 H PHE 60 -7.392 6.855 -2.458 489 HA PHE 60 HA PHE 60 -5.820 5.229 -4.162 490 HB2 PHE 60 2HB PHE 60 -4.869 6.178 -2.181 491 HB3 PHE 60 3HB PHE 60 -6.108 5.479 -1.154 492 HD1 PHE 60 1HD PHE 60 -4.780 4.334 0.424 493 HD2 PHE 60 2HD PHE 60 -4.139 3.641 -3.795 494 HE1 PHE 60 1HE PHE 60 -3.308 2.433 0.961 495 HE2 PHE 60 2HE PHE 60 -2.734 1.692 -3.248 496 HZ PHE 60 HZ PHE 60 -2.279 1.097 -0.866 497 H MET 61 H MET 61 -8.312 4.346 -1.716 498 HA MET 61 HA MET 61 -8.248 1.574 -2.014 499 HB2 MET 61 1HB MET 61 -9.307 2.714 -0.159 500 HB3 MET 61 2HB MET 61 -10.435 3.542 -1.243 501 HG2 MET 61 1HG MET 61 -11.312 1.249 -1.878 502 HG3 MET 61 2HG MET 61 -10.373 0.617 -0.527 503 HE1 MET 61 1HE MET 61 -13.527 1.310 -1.732 504 HE2 MET 61 2HE MET 61 -13.339 -0.063 -0.622 505 HE3 MET 61 3HE MET 61 -14.517 1.224 -0.257 506 H TRP 62 H TRP 62 -10.136 4.072 -3.871 507 HA TRP 62 HA TRP 62 -11.688 2.258 -5.376 508 HB2 TRP 62 2HB TRP 62 -10.935 5.111 -5.696 509 HB3 TRP 62 3HB TRP 62 -11.403 4.259 -7.150 510 HD1 TRP 62 HD1 TRP 62 -12.802 5.497 -3.897 511 HE1 TRP 62 1HE TRP 62 -15.309 5.549 -3.933 512 HE3 TRP 62 3HE TRP 62 -13.464 3.169 -8.349 513 HZ2 TRP 62 2HZ TRP 62 -17.433 4.684 -5.758 514 HZ3 TRP 62 3HZ TRP 62 -15.767 2.917 -9.302 515 HH2 TRP 62 HH2 TRP 62 -17.737 3.686 -8.014 516 H ILE 63 H ILE 63 -8.447 3.709 -6.103 517 HA ILE 63 HA ILE 63 -8.229 2.434 -8.612 518 HB ILE 63 HB ILE 63 -5.875 3.177 -6.849 519 HG12 ILE 63 1HG1 ILE 63 -6.933 4.999 -9.022 520 HG13 ILE 63 2HG1 ILE 63 -7.703 5.068 -7.449 521 HG21 ILE 63 1HG2 ILE 63 -6.303 2.668 -9.838 522 HG22 ILE 63 2HG2 ILE 63 -4.902 3.542 -9.254 523 HG23 ILE 63 3HG2 ILE 63 -5.152 1.867 -8.739 524 HD11 ILE 63 1HD1 ILE 63 -4.788 5.591 -8.027 525 HD12 ILE 63 2HD1 ILE 63 -6.027 6.747 -7.495 526 HD13 ILE 63 3HD1 ILE 63 -5.479 5.474 -6.391 527 H ILE 64 H ILE 64 -7.206 1.258 -5.342 528 HA ILE 64 HA ILE 64 -5.973 -1.129 -6.288 529 HB ILE 64 HB ILE 64 -7.323 -0.378 -3.670 530 HG12 ILE 64 1HG1 ILE 64 -4.484 -1.144 -4.495 531 HG13 ILE 64 2HG1 ILE 64 -5.072 0.495 -4.245 532 HG21 ILE 64 1HG2 ILE 64 -6.137 -3.129 -4.244 533 HG22 ILE 64 2HG2 ILE 64 -6.681 -2.545 -2.658 534 HG23 ILE 64 3HG2 ILE 64 -7.851 -2.803 -3.922 535 HD11 ILE 64 1HD1 ILE 64 -4.845 -1.629 -2.062 536 HD12 ILE 64 2HD1 ILE 64 -3.718 -0.339 -2.365 537 HD13 ILE 64 3HD1 ILE 64 -5.370 0.065 -1.849 538 H ARG 65 H ARG 65 -9.447 -0.656 -5.344 539 HA ARG 65 HA ARG 65 -10.093 -3.321 -6.129 540 HB2 ARG 65 1HB ARG 65 -12.421 -2.722 -5.905 541 HB3 ARG 65 2HB ARG 65 -11.482 -2.058 -4.571 542 HG2 ARG 65 1HG ARG 65 -11.519 0.130 -5.516 543 HG3 ARG 65 2HG ARG 65 -12.279 -0.433 -7.013 544 HD2 ARG 65 1HD ARG 65 -13.538 -0.435 -4.248 545 HD3 ARG 65 2HD ARG 65 -13.831 0.747 -5.541 546 HE ARG 65 HE ARG 65 -14.303 -1.811 -6.620 547 HH11 ARG 65 1HH1 ARG 65 -15.728 0.611 -4.501 548 HH12 ARG 65 2HH1 ARG 65 -17.356 0.090 -4.692 549 HH21 ARG 65 1HH2 ARG 65 -16.468 -2.702 -6.750 550 HH22 ARG 65 2HH2 ARG 65 -17.761 -1.967 -5.847 551 H LYS 66 H LYS 66 -9.857 -0.413 -8.093 552 HA LYS 66 HA LYS 66 -11.244 -1.488 -10.408 553 HB2 LYS 66 1HB LYS 66 -9.200 0.742 -9.992 554 HB3 LYS 66 2HB LYS 66 -9.885 0.378 -11.556 555 HG2 LYS 66 1HG LYS 66 -11.784 0.943 -9.260 556 HG3 LYS 66 2HG LYS 66 -10.878 2.275 -9.993 557 HD2 LYS 66 1HD LYS 66 -11.735 1.640 -12.221 558 HD3 LYS 66 2HD LYS 66 -12.723 0.361 -11.462 559 HE2 LYS 66 1HE LYS 66 -13.989 2.010 -10.219 560 HE3 LYS 66 2HE LYS 66 -12.880 3.299 -10.730 561 HZ1 LYS 66 1HZ LYS 66 -14.727 1.821 -12.493 562 HZ2 LYS 66 2HZ LYS 66 -13.613 2.932 -13.007 563 HZ3 LYS 66 3HZ LYS 66 -14.846 3.379 -12.033 564 H ARG 67 H ARG 67 -7.791 -1.193 -9.462 565 HA ARG 67 HA ARG 67 -6.636 -2.307 -11.770 566 HB2 ARG 67 1HB ARG 67 -5.768 -1.970 -8.870 567 HB3 ARG 67 2HB ARG 67 -4.731 -2.785 -10.011 568 HG2 ARG 67 1HG ARG 67 -5.810 -0.006 -10.594 569 HG3 ARG 67 2HG ARG 67 -4.341 -0.266 -9.636 570 HD2 ARG 67 1HD ARG 67 -3.230 -1.392 -11.461 571 HD3 ARG 67 2HD ARG 67 -4.713 -1.398 -12.421 572 HE ARG 67 HE ARG 67 -4.558 1.156 -12.272 573 HH11 ARG 67 1HH1 ARG 67 -1.716 -1.021 -12.888 574 HH12 ARG 67 2HH1 ARG 67 -0.799 0.314 -13.508 575 HH21 ARG 67 1HH2 ARG 67 -3.460 2.600 -13.460 576 HH22 ARG 67 2HH2 ARG 67 -1.840 2.340 -14.029 577 H ILE 68 H ILE 68 -7.448 -3.920 -8.644 578 HA ILE 68 HA ILE 68 -6.637 -6.476 -9.750 579 HB ILE 68 HB ILE 68 -7.249 -7.381 -7.682 580 HG12 ILE 68 1HG1 ILE 68 -8.909 -4.895 -7.190 581 HG13 ILE 68 2HG1 ILE 68 -9.469 -6.556 -7.348 582 HG21 ILE 68 1HG2 ILE 68 -6.234 -4.651 -6.863 583 HG22 ILE 68 2HG2 ILE 68 -5.870 -6.251 -6.189 584 HG23 ILE 68 3HG2 ILE 68 -5.251 -5.799 -7.771 585 HD11 ILE 68 1HD1 ILE 68 -8.230 -7.160 -5.258 586 HD12 ILE 68 2HD1 ILE 68 -7.884 -5.425 -5.023 587 HD13 ILE 68 3HD1 ILE 68 -9.560 -5.999 -5.056 588 H GLN 69 H GLN 69 -9.396 -4.598 -10.310 589 HA GLN 69 HA GLN 69 -11.423 -4.939 -11.161 590 HB2 GLN 69 1HB GLN 69 -10.607 -7.661 -12.163 591 HB3 GLN 69 2HB GLN 69 -11.743 -6.516 -12.847 592 HG2 GLN 69 1HG GLN 69 -9.783 -5.001 -13.335 593 HG3 GLN 69 2HG GLN 69 -8.700 -6.283 -12.774 594 HE21 GLN 69 1HE2 GLN 69 -9.459 -8.488 -15.561 595 HE22 GLN 69 2HE2 GLN 69 -9.007 -8.504 -13.851 596 H LEU 70 H LEU 70 -11.714 -5.068 -8.735 597 HA LEU 70 HA LEU 70 -12.372 -7.557 -7.482 598 HB2 LEU 70 1HB LEU 70 -11.636 -5.642 -6.227 599 HB3 LEU 70 2HB LEU 70 -12.980 -4.674 -6.784 600 HG LEU 70 HG LEU 70 -12.882 -5.724 -4.370 601 HD11 LEU 70 1HD1 LEU 70 -14.677 -4.271 -5.149 602 HD12 LEU 70 2HD1 LEU 70 -15.256 -5.594 -4.115 603 HD13 LEU 70 3HD1 LEU 70 -15.506 -5.678 -5.859 604 HD21 LEU 70 1HD2 LEU 70 -13.906 -7.780 -4.003 605 HD22 LEU 70 2HD2 LEU 70 -12.731 -8.097 -5.281 606 HD23 LEU 70 3HD2 LEU 70 -14.451 -7.947 -5.666 607 HA PRO 71 HA PRO 71 -16.366 -7.634 -9.728 608 HB2 PRO 71 2HB PRO 71 -17.138 -10.185 -9.081 609 HB3 PRO 71 3HB PRO 71 -15.859 -9.855 -10.290 610 HG2 PRO 71 2HG PRO 71 -15.493 -10.506 -7.344 611 HG3 PRO 71 3HG PRO 71 -14.706 -11.272 -8.775 612 HD2 PRO 71 2HD PRO 71 -13.504 -9.320 -7.324 613 HD3 PRO 71 3HD PRO 71 -13.348 -9.425 -9.096 614 H SER 72 H SER 72 -18.670 -7.932 -9.034 615 HA SER 72 HA SER 72 -19.085 -6.849 -6.392 616 HB2 SER 72 1HB SER 72 -21.031 -8.000 -8.422 617 HB3 SER 72 2HB SER 72 -21.507 -7.266 -6.877 618 HG SER 72 HG SER 72 -21.494 -5.537 -7.983 619 H GLU 73 H GLU 73 -18.610 -10.140 -7.382 620 HA GLU 73 HA GLU 73 -20.228 -11.375 -5.352 621 HB2 GLU 73 1HB GLU 73 -18.780 -13.346 -5.714 622 HB3 GLU 73 2HB GLU 73 -19.483 -12.716 -7.193 623 HG2 GLU 73 1HG GLU 73 -17.404 -11.752 -7.818 624 HG3 GLU 73 2HG GLU 73 -16.651 -12.165 -6.290 625 H LYS 74 H LYS 74 -16.809 -10.166 -5.383 626 HA LYS 74 HA LYS 74 -16.706 -10.725 -2.474 627 HB2 LYS 74 1HB LYS 74 -14.344 -10.083 -4.240 628 HB3 LYS 74 2HB LYS 74 -14.341 -10.612 -2.561 629 HG2 LYS 74 1HG LYS 74 -15.002 -12.212 -5.009 630 HG3 LYS 74 2HG LYS 74 -13.703 -12.447 -3.891 631 HD2 LYS 74 1HD LYS 74 -16.680 -12.934 -3.393 632 HD3 LYS 74 2HD LYS 74 -15.454 -14.149 -3.645 633 HE2 LYS 74 1HE LYS 74 -14.550 -13.947 -1.533 634 HE3 LYS 74 2HE LYS 74 -15.125 -12.296 -1.290 635 HZ1 LYS 74 1HZ LYS 74 -17.096 -14.463 -1.540 636 HZ2 LYS 74 2HZ LYS 74 -17.200 -13.061 -0.678 637 HZ3 LYS 74 3HZ LYS 74 -16.285 -14.315 -0.149 638 H ALA 75 H ALA 75 -15.417 -9.197 -1.226 639 HA ALA 75 HA ALA 75 -16.283 -6.403 -1.755 640 HB1 ALA 75 1HB ALA 75 -17.441 -7.491 0.138 641 HB2 ALA 75 2HB ALA 75 -15.880 -7.879 0.880 642 HB3 ALA 75 3HB ALA 75 -16.384 -6.178 0.696 643 H ILE 76 H ILE 76 -14.568 -5.019 -0.135 644 HA ILE 76 HA ILE 76 -11.897 -6.135 -0.356 645 HB ILE 76 HB ILE 76 -12.367 -4.974 -2.504 646 HG12 ILE 76 1HG1 ILE 76 -10.392 -3.400 -2.319 647 HG13 ILE 76 2HG1 ILE 76 -10.226 -3.887 -0.650 648 HG21 ILE 76 1HG2 ILE 76 -12.618 -2.401 -0.929 649 HG22 ILE 76 2HG2 ILE 76 -12.622 -2.586 -2.687 650 HG23 ILE 76 3HG2 ILE 76 -13.958 -3.242 -1.731 651 HD11 ILE 76 1HD1 ILE 76 -9.833 -6.189 -1.354 652 HD12 ILE 76 2HD1 ILE 76 -10.258 -5.765 -3.031 653 HD13 ILE 76 3HD1 ILE 76 -8.786 -5.094 -2.304 654 H PHE 77 H PHE 77 -10.634 -5.390 1.278 655 HA PHE 77 HA PHE 77 -11.539 -3.178 3.009 656 HB2 PHE 77 2HB PHE 77 -10.879 -5.941 4.098 657 HB3 PHE 77 3HB PHE 77 -11.394 -4.523 5.012 658 HD1 PHE 77 1HD PHE 77 -12.474 -7.480 3.240 659 HD2 PHE 77 2HD PHE 77 -13.770 -3.561 4.503 660 HE1 PHE 77 1HE PHE 77 -14.840 -8.138 2.895 661 HE2 PHE 77 2HE PHE 77 -16.111 -4.202 4.097 662 HZ PHE 77 HZ PHE 77 -16.669 -6.504 3.317 663 H LEU 78 H LEU 78 -9.795 -2.065 3.790 664 HA LEU 78 HA LEU 78 -7.058 -3.161 3.363 665 HB2 LEU 78 1HB LEU 78 -8.251 -0.402 2.973 666 HB3 LEU 78 2HB LEU 78 -6.533 -0.584 3.330 667 HG LEU 78 HG LEU 78 -7.744 -2.199 1.067 668 HD11 LEU 78 1HD1 LEU 78 -7.271 -0.448 -0.537 669 HD12 LEU 78 2HD1 LEU 78 -6.696 0.649 0.745 670 HD13 LEU 78 3HD1 LEU 78 -8.405 0.177 0.678 671 HD21 LEU 78 1HD2 LEU 78 -4.982 -0.948 1.427 672 HD22 LEU 78 2HD2 LEU 78 -5.480 -2.129 0.194 673 HD23 LEU 78 3HD2 LEU 78 -5.406 -2.607 1.894 674 H PHE 79 H PHE 79 -5.759 -3.190 5.164 675 HA PHE 79 HA PHE 79 -6.666 -1.756 7.611 676 HB2 PHE 79 2HB PHE 79 -5.710 -4.638 7.447 677 HB3 PHE 79 3HB PHE 79 -5.995 -3.736 8.935 678 HD1 PHE 79 1HD PHE 79 -7.534 -5.789 6.379 679 HD2 PHE 79 2HD PHE 79 -8.358 -2.776 9.352 680 HE1 PHE 79 1HE PHE 79 -9.936 -6.362 6.284 681 HE2 PHE 79 2HE PHE 79 -10.777 -3.352 9.257 682 HZ PHE 79 HZ PHE 79 -11.575 -5.125 7.713 683 H VAL 80 H VAL 80 -5.147 -0.464 8.426 684 HA VAL 80 HA VAL 80 -2.296 -1.026 7.773 685 HB VAL 80 HB VAL 80 -3.486 0.798 6.494 686 HG11 VAL 80 1HG1 VAL 80 -3.779 2.985 7.431 687 HG12 VAL 80 2HG1 VAL 80 -4.785 1.828 8.328 688 HG13 VAL 80 3HG1 VAL 80 -3.271 2.431 9.027 689 HG21 VAL 80 1HG2 VAL 80 -1.567 2.287 6.515 690 HG22 VAL 80 2HG2 VAL 80 -1.038 1.639 8.079 691 HG23 VAL 80 3HG2 VAL 80 -1.021 0.607 6.632 692 H ASP 81 H ASP 81 -0.974 -1.096 9.511 693 HA ASP 81 HA ASP 81 -0.423 -1.458 11.676 694 HB2 ASP 81 1HB ASP 81 -0.113 1.035 11.177 695 HB3 ASP 81 2HB ASP 81 -1.595 1.323 12.089 696 H LYS 82 H LYS 82 -2.897 -2.571 10.995 697 HA LYS 82 HA LYS 82 -4.534 -3.752 11.967 698 HB2 LYS 82 1HB LYS 82 -2.490 -3.696 13.837 699 HB3 LYS 82 2HB LYS 82 -3.840 -3.139 14.812 700 HG2 LYS 82 1HG LYS 82 -5.006 -5.191 14.556 701 HG3 LYS 82 2HG LYS 82 -4.140 -5.597 13.052 702 HD2 LYS 82 1HD LYS 82 -2.025 -5.835 14.293 703 HD3 LYS 82 2HD LYS 82 -2.888 -5.521 15.821 704 HE2 LYS 82 1HE LYS 82 -4.340 -7.486 15.453 705 HE3 LYS 82 2HE LYS 82 -3.585 -7.778 13.889 706 HZ1 LYS 82 1HZ LYS 82 -1.489 -8.165 15.067 707 HZ2 LYS 82 2HZ LYS 82 -2.673 -9.236 15.502 708 HZ3 LYS 82 3HZ LYS 82 -2.247 -8.007 16.511 709 H THR 83 H THR 83 -4.759 -0.791 11.444 710 HA THR 83 HA THR 83 -7.183 -0.260 13.038 711 HB THR 83 HB THR 83 -6.679 2.068 12.998 712 HG1 THR 83 1HG THR 83 -4.512 1.347 11.333 713 HG21 THR 83 1HG2 THR 83 -5.452 0.508 14.715 714 HG22 THR 83 2HG2 THR 83 -4.971 2.210 14.554 715 HG23 THR 83 3HG2 THR 83 -4.005 0.938 13.793 716 H VAL 84 H VAL 84 -8.658 1.222 11.954 717 HA VAL 84 HA VAL 84 -9.117 0.440 9.151 718 HB VAL 84 HB VAL 84 -10.859 -0.232 10.530 719 HG11 VAL 84 1HG1 VAL 84 -10.974 2.465 11.931 720 HG12 VAL 84 2HG1 VAL 84 -12.120 1.135 12.137 721 HG13 VAL 84 3HG1 VAL 84 -10.451 0.922 12.643 722 HG21 VAL 84 1HG2 VAL 84 -11.602 0.961 8.505 723 HG22 VAL 84 2HG2 VAL 84 -12.799 1.002 9.809 724 HG23 VAL 84 3HG2 VAL 84 -11.812 2.441 9.474 725 HA PRO 85 HA PRO 85 -7.506 4.685 8.828 726 HB2 PRO 85 2HB PRO 85 -6.979 4.780 6.120 727 HB3 PRO 85 3HB PRO 85 -5.917 3.995 7.326 728 HG2 PRO 85 2HG PRO 85 -7.991 2.706 5.555 729 HG3 PRO 85 3HG PRO 85 -6.317 2.152 5.883 730 HD2 PRO 85 2HD PRO 85 -8.502 1.113 7.163 731 HD3 PRO 85 3HD PRO 85 -6.924 1.302 7.978 732 H GLN 86 H GLN 86 -8.514 6.598 8.444 733 HA GLN 86 HA GLN 86 -11.306 6.526 7.692 734 HB2 GLN 86 1HB GLN 86 -10.613 8.006 9.456 735 HB3 GLN 86 2HB GLN 86 -9.436 8.830 8.415 736 HG2 GLN 86 1HG GLN 86 -11.097 9.937 7.172 737 HG3 GLN 86 2HG GLN 86 -12.348 8.765 7.597 738 HE21 GLN 86 1HE2 GLN 86 -12.007 12.060 9.916 739 HE22 GLN 86 2HE2 GLN 86 -11.052 11.886 8.454 740 H SER 87 H SER 87 -12.031 6.573 5.701 741 HA SER 87 HA SER 87 -10.722 6.629 3.348 742 HB2 SER 87 1HB SER 87 -13.009 7.237 2.427 743 HB3 SER 87 2HB SER 87 -12.888 5.840 3.500 744 HG SER 87 HG SER 87 -14.562 6.917 4.265 745 H SER 88 H SER 88 -11.874 9.639 5.022 746 HA SER 88 HA SER 88 -11.141 11.252 2.705 747 HB2 SER 88 1HB SER 88 -11.888 13.097 4.337 748 HB3 SER 88 2HB SER 88 -13.070 11.949 3.719 749 HG SER 88 HG SER 88 -13.540 11.701 5.706 750 H LEU 89 H LEU 89 -9.188 9.970 5.221 751 HA LEU 89 HA LEU 89 -7.695 12.362 5.779 752 HB2 LEU 89 1HB LEU 89 -7.809 10.202 7.168 753 HB3 LEU 89 2HB LEU 89 -6.757 9.467 5.962 754 HG LEU 89 HG LEU 89 -5.002 11.173 6.483 755 HD11 LEU 89 1HD1 LEU 89 -6.352 13.053 7.324 756 HD12 LEU 89 2HD1 LEU 89 -5.248 12.527 8.590 757 HD13 LEU 89 3HD1 LEU 89 -6.961 12.058 8.661 758 HD21 LEU 89 1HD2 LEU 89 -4.381 10.258 8.680 759 HD22 LEU 89 2HD2 LEU 89 -5.074 8.975 7.681 760 HD23 LEU 89 3HD2 LEU 89 -6.062 9.703 8.940 761 H THR 90 H THR 90 -5.730 13.072 4.704 762 HA THR 90 HA THR 90 -5.640 12.229 1.891 763 HB THR 90 HB THR 90 -3.878 14.000 1.711 764 HG1 THR 90 1HG THR 90 -4.802 14.698 4.299 765 HG21 THR 90 1HG2 THR 90 -6.137 14.521 1.077 766 HG22 THR 90 2HG2 THR 90 -5.489 15.889 2.004 767 HG23 THR 90 3HG2 THR 90 -6.632 14.768 2.774 768 H MET 91 H MET 91 -3.734 11.478 0.856 769 HA MET 91 HA MET 91 -2.422 9.380 2.198 770 HB2 MET 91 1HB MET 91 -1.952 10.925 -0.358 771 HB3 MET 91 2HB MET 91 -0.813 9.669 0.072 772 HG2 MET 91 1HG MET 91 -3.815 9.328 -0.406 773 HG3 MET 91 2HG MET 91 -2.524 8.979 -1.539 774 HE1 MET 91 1HE MET 91 -3.233 7.527 2.391 775 HE2 MET 91 2HE MET 91 -4.641 7.880 1.351 776 HE3 MET 91 3HE MET 91 -4.148 6.201 1.677 777 H GLY 92 H GLY 92 -1.412 12.765 1.558 778 HA2 GLY 92 1HA GLY 92 1.207 12.527 2.562 779 HA3 GLY 92 2HA GLY 92 0.234 14.012 2.503 780 H GLN 93 H GLN 93 -1.897 13.315 4.273 781 HA GLN 93 HA GLN 93 -0.520 13.737 6.780 782 HB2 GLN 93 1HB GLN 93 -3.308 13.842 5.851 783 HB3 GLN 93 2HB GLN 93 -3.204 13.040 7.395 784 HG2 GLN 93 1HG GLN 93 -1.888 15.732 6.891 785 HG3 GLN 93 2HG GLN 93 -3.537 15.540 7.471 786 HE21 GLN 93 1HE2 GLN 93 -0.466 14.755 10.102 787 HE22 GLN 93 2HE2 GLN 93 -0.106 15.039 8.387 788 H LEU 94 H LEU 94 -2.400 11.005 5.440 789 HA LEU 94 HA LEU 94 -2.238 9.332 7.701 790 HB2 LEU 94 1HB LEU 94 -3.742 8.976 5.845 791 HB3 LEU 94 2HB LEU 94 -2.443 8.620 4.738 792 HG LEU 94 HG LEU 94 -2.782 7.064 7.340 793 HD11 LEU 94 1HD1 LEU 94 -5.002 7.047 6.278 794 HD12 LEU 94 2HD1 LEU 94 -4.253 5.450 6.272 795 HD13 LEU 94 3HD1 LEU 94 -4.276 6.411 4.774 796 HD21 LEU 94 1HD2 LEU 94 -1.810 6.126 4.591 797 HD22 LEU 94 2HD2 LEU 94 -1.890 5.143 6.079 798 HD23 LEU 94 3HD2 LEU 94 -0.761 6.475 5.980 799 H TYR 95 H TYR 95 0.047 9.696 4.955 800 HA TYR 95 HA TYR 95 1.876 7.693 5.827 801 HB2 TYR 95 2HB TYR 95 2.003 8.562 3.595 802 HB3 TYR 95 3HB TYR 95 2.142 10.228 4.162 803 HD1 TYR 95 1HD TYR 95 3.986 7.063 5.115 804 HD2 TYR 95 2HD TYR 95 4.225 11.114 3.609 805 HE1 TYR 95 1HE TYR 95 6.403 6.859 4.972 806 HE2 TYR 95 2HE TYR 95 6.675 10.916 3.456 807 HH TYR 95 HH TYR 95 8.365 7.849 4.201 808 H GLU 96 H GLU 96 1.902 11.309 6.284 809 HA GLU 96 HA GLU 96 4.184 11.465 7.833 810 HB2 GLU 96 1HB GLU 96 2.542 13.286 6.841 811 HB3 GLU 96 2HB GLU 96 1.827 13.283 8.440 812 HG2 GLU 96 1HG GLU 96 4.719 13.804 7.676 813 HG3 GLU 96 2HG GLU 96 3.515 15.040 8.010 814 H LYS 97 H LYS 97 0.882 10.806 8.953 815 HA LYS 97 HA LYS 97 1.836 10.706 11.712 816 HB2 LYS 97 1HB LYS 97 -0.358 10.725 12.404 817 HB3 LYS 97 2HB LYS 97 -0.244 11.878 11.085 818 HG2 LYS 97 1HG LYS 97 -2.093 10.882 10.241 819 HG3 LYS 97 2HG LYS 97 -1.014 9.611 9.707 820 HD2 LYS 97 1HD LYS 97 -2.954 8.694 10.834 821 HD3 LYS 97 2HD LYS 97 -1.497 8.366 11.789 822 HE2 LYS 97 1HE LYS 97 -1.968 9.973 13.406 823 HE3 LYS 97 2HE LYS 97 -3.221 10.753 12.425 824 HZ1 LYS 97 1HZ LYS 97 -4.700 9.162 12.974 825 HZ2 LYS 97 2HZ LYS 97 -3.735 8.996 14.309 826 HZ3 LYS 97 3HZ LYS 97 -3.619 7.943 13.044 827 H GLU 98 H GLU 98 1.274 8.334 9.169 828 HA GLU 98 HA GLU 98 1.407 6.202 11.248 829 HB2 GLU 98 1HB GLU 98 0.438 5.834 8.397 830 HB3 GLU 98 2HB GLU 98 0.445 4.665 9.726 831 HG2 GLU 98 1HG GLU 98 -0.913 6.561 10.993 832 HG3 GLU 98 2HG GLU 98 -1.323 7.106 9.389 833 H LYS 99 H LYS 99 3.497 7.999 9.691 834 HA LYS 99 HA LYS 99 5.320 6.547 8.282 835 HB2 LYS 99 1HB LYS 99 5.131 9.023 9.156 836 HB3 LYS 99 2HB LYS 99 6.165 8.476 10.460 837 HG2 LYS 99 1HG LYS 99 7.823 7.698 8.751 838 HG3 LYS 99 2HG LYS 99 6.770 8.342 7.467 839 HD2 LYS 99 1HD LYS 99 8.197 9.840 9.675 840 HD3 LYS 99 2HD LYS 99 8.515 9.963 7.939 841 HE2 LYS 99 1HE LYS 99 6.194 10.938 7.656 842 HE3 LYS 99 2HE LYS 99 6.007 10.871 9.421 843 HZ1 LYS 99 1HZ LYS 99 6.674 13.012 9.020 844 HZ2 LYS 99 2HZ LYS 99 7.849 12.595 7.907 845 HZ3 LYS 99 3HZ LYS 99 8.045 12.292 9.506 846 H ASP 100 H ASP 100 6.427 4.702 8.724 847 HA ASP 100 HA ASP 100 6.823 3.760 11.499 848 HB2 ASP 100 1HB ASP 100 6.055 2.263 9.626 849 HB3 ASP 100 2HB ASP 100 7.645 2.446 8.880 850 H GLU 101 H GLU 101 9.190 2.709 11.826 851 HA GLU 101 HA GLU 101 11.079 4.746 12.038 852 HB2 GLU 101 1HB GLU 101 12.619 3.124 12.750 853 HB3 GLU 101 2HB GLU 101 11.047 2.512 13.249 854 HG2 GLU 101 1HG GLU 101 11.016 0.945 11.329 855 HG3 GLU 101 2HG GLU 101 12.557 1.587 10.760 856 H ASP 102 H ASP 102 10.626 2.444 9.412 857 HA ASP 102 HA ASP 102 12.938 3.236 7.854 858 HB2 ASP 102 1HB ASP 102 10.534 1.542 7.164 859 HB3 ASP 102 2HB ASP 102 11.976 1.735 6.168 860 H GLY 103 H GLY 103 10.015 4.761 8.391 861 HA2 GLY 103 1HA GLY 103 8.937 6.506 7.418 862 HA3 GLY 103 2HA GLY 103 10.356 6.768 6.398 863 H PHE 104 H PHE 104 8.461 3.747 6.420 864 HA PHE 104 HA PHE 104 7.407 4.368 3.717 865 HB2 PHE 104 2HB PHE 104 8.051 2.369 2.899 866 HB3 PHE 104 3HB PHE 104 9.417 2.674 3.945 867 HD1 PHE 104 1HD PHE 104 7.853 0.018 2.759 868 HD2 PHE 104 2HD PHE 104 8.334 1.837 6.653 869 HE1 PHE 104 1HE PHE 104 7.300 -2.133 3.861 870 HE2 PHE 104 2HE PHE 104 7.785 -0.293 7.710 871 HZ PHE 104 HZ PHE 104 7.204 -2.252 6.356 872 H LEU 105 H LEU 105 5.406 2.896 3.199 873 HA LEU 105 HA LEU 105 3.866 2.423 5.726 874 HB2 LEU 105 1HB LEU 105 3.234 4.505 4.523 875 HB3 LEU 105 2HB LEU 105 2.839 3.507 3.106 876 HG LEU 105 HG LEU 105 1.190 2.283 4.720 877 HD11 LEU 105 1HD1 LEU 105 0.302 3.653 6.560 878 HD12 LEU 105 2HD1 LEU 105 1.533 4.887 6.252 879 HD13 LEU 105 3HD1 LEU 105 2.006 3.277 6.824 880 HD21 LEU 105 1HD2 LEU 105 -0.578 3.910 4.267 881 HD22 LEU 105 2HD2 LEU 105 0.454 3.688 2.854 882 HD23 LEU 105 3HD2 LEU 105 0.640 5.139 3.868 883 H TYR 106 H TYR 106 3.023 0.439 5.896 884 HA TYR 106 HA TYR 106 3.024 -1.405 3.572 885 HB2 TYR 106 2HB TYR 106 3.629 -3.147 5.226 886 HB3 TYR 106 3HB TYR 106 4.875 -1.950 4.987 887 HD1 TYR 106 1HD TYR 106 4.947 0.084 6.808 888 HD2 TYR 106 2HD TYR 106 3.120 -3.772 7.406 889 HE1 TYR 106 1HE TYR 106 4.731 0.566 9.202 890 HE2 TYR 106 2HE TYR 106 3.066 -3.358 9.839 891 HH TYR 106 HH TYR 106 3.741 -0.166 11.298 892 H VAL 107 H VAL 107 0.901 -1.901 3.067 893 HA VAL 107 HA VAL 107 -1.068 -2.027 5.302 894 HB VAL 107 HB VAL 107 -1.292 0.062 4.135 895 HG11 VAL 107 1HG1 VAL 107 -0.314 -0.424 1.951 896 HG12 VAL 107 2HG1 VAL 107 -1.679 -1.479 1.541 897 HG13 VAL 107 3HG1 VAL 107 -1.929 0.259 1.779 898 HG21 VAL 107 1HG2 VAL 107 -3.584 -1.784 3.367 899 HG22 VAL 107 2HG2 VAL 107 -3.348 -0.975 4.929 900 HG23 VAL 107 3HG2 VAL 107 -3.636 -0.014 3.484 901 H ALA 108 H ALA 108 -2.771 -3.580 5.074 902 HA ALA 108 HA ALA 108 -2.134 -5.744 3.114 903 HB1 ALA 108 1HB ALA 108 -3.062 -7.313 4.749 904 HB2 ALA 108 2HB ALA 108 -1.659 -6.467 5.406 905 HB3 ALA 108 3HB ALA 108 -3.317 -5.990 5.903 906 H TYR 109 H TYR 109 -3.985 -6.828 2.185 907 HA TYR 109 HA TYR 109 -6.574 -5.531 2.706 908 HB2 TYR 109 2HB TYR 109 -7.109 -5.139 0.479 909 HB3 TYR 109 3HB TYR 109 -5.487 -4.516 0.653 910 HD1 TYR 109 1HD TYR 109 -7.600 -7.055 -0.970 911 HD2 TYR 109 2HD TYR 109 -3.567 -5.636 -0.452 912 HE1 TYR 109 1HE TYR 109 -6.894 -8.270 -3.031 913 HE2 TYR 109 2HE TYR 109 -2.878 -6.835 -2.486 914 HH TYR 109 HH TYR 109 -5.036 -9.014 -4.327 915 H SER 110 H SER 110 -8.422 -6.752 2.147 916 HA SER 110 HA SER 110 -8.085 -9.589 1.459 917 HB2 SER 110 1HB SER 110 -9.524 -10.134 3.513 918 HB3 SER 110 2HB SER 110 -7.824 -9.741 3.816 919 HG SER 110 HG SER 110 -8.809 -8.521 5.262 920 H GLY 111 H GLY 111 -10.173 -10.521 0.893 921 HA2 GLY 111 1HA GLY 111 -12.222 -8.462 0.187 922 HA3 GLY 111 2HA GLY 111 -11.859 -9.835 -0.854 923 H GLU 112 H GLU 112 -11.875 -10.194 2.636 924 HA GLU 112 HA GLU 112 -14.401 -11.729 2.563 925 HB2 GLU 112 1HB GLU 112 -11.920 -12.185 4.264 926 HB3 GLU 112 2HB GLU 112 -13.419 -13.138 4.249 927 HG2 GLU 112 1HG GLU 112 -12.989 -13.736 1.866 928 HG3 GLU 112 2HG GLU 112 -11.435 -12.894 1.948 929 H ASN 113 H ASN 113 -15.834 -10.989 3.835 930 HA ASN 113 HA ASN 113 -15.514 -8.606 5.499 931 HB2 ASN 113 1HB ASN 113 -17.515 -8.765 4.250 932 HB3 ASN 113 2HB ASN 113 -17.802 -10.435 4.728 933 HD21 ASN 113 1HD2 ASN 113 -19.510 -9.675 7.722 934 HD22 ASN 113 2HD2 ASN 113 -18.992 -10.853 6.527 935 H THR 114 H THR 114 -15.465 -12.138 6.032 936 HA THR 114 HA THR 114 -14.896 -11.741 8.875 937 HB THR 114 HB THR 114 -16.134 -13.965 9.122 938 HG1 THR 114 1HG THR 114 -16.734 -14.675 7.295 939 HG21 THR 114 1HG2 THR 114 -17.795 -11.493 8.505 940 HG22 THR 114 2HG2 THR 114 -17.006 -11.862 10.042 941 HG23 THR 114 3HG2 THR 114 -18.320 -12.898 9.463 942 H PHE 115 H PHE 115 -13.095 -12.882 9.462 943 HA PHE 115 HA PHE 115 -11.691 -14.351 7.318 944 HB2 PHE 115 2HB PHE 115 -10.597 -12.379 8.371 945 HB3 PHE 115 3HB PHE 115 -10.639 -13.194 9.927 946 HD1 PHE 115 1HD PHE 115 -9.480 -13.734 6.408 947 HD2 PHE 115 2HD PHE 115 -8.774 -14.552 10.563 948 HE1 PHE 115 1HE PHE 115 -7.325 -14.879 5.817 949 HE2 PHE 115 2HE PHE 115 -6.660 -15.712 9.978 950 HZ PHE 115 HZ PHE 115 -5.917 -15.844 7.599 951 H GLY 116 H GLY 116 -13.270 -16.211 7.696 952 HA2 GLY 116 1HA GLY 116 -12.022 -18.137 9.457 953 HA3 GLY 116 2HA GLY 116 -13.666 -17.677 9.948 954 H1 GLY 330 H GLY 330 25.393 -3.618 0.768 955 HA2 GLY 330 1HA GLY 330 27.693 -2.854 0.351 956 HA3 GLY 330 2HA GLY 330 28.209 -4.025 1.591 957 H ALA 331 H ALA 331 28.327 -3.629 -1.600 958 HA ALA 331 HA ALA 331 28.450 -4.873 -3.422 959 HB1 ALA 331 1HB ALA 331 29.442 -7.093 -3.238 960 HB2 ALA 331 2HB ALA 331 30.228 -5.955 -2.131 961 HB3 ALA 331 3HB ALA 331 29.064 -7.148 -1.504 962 H MET 332 H MET 332 25.794 -4.478 -2.361 963 HA MET 332 HA MET 332 24.314 -6.963 -2.938 964 HB2 MET 332 1HB MET 332 23.365 -4.185 -2.172 965 HB3 MET 332 2HB MET 332 22.317 -5.577 -2.406 966 HG2 MET 332 1HG MET 332 23.123 -6.697 -0.503 967 HG3 MET 332 2HG MET 332 24.599 -5.747 -0.439 968 HE1 MET 332 1HE MET 332 20.932 -5.032 1.999 969 HE2 MET 332 2HE MET 332 20.792 -5.870 0.437 970 HE3 MET 332 3HE MET 332 21.892 -6.492 1.684 971 H GLU 333 H GLU 333 25.411 -6.931 -5.073 972 HA GLU 333 HA GLU 333 24.004 -5.204 -7.069 973 HB2 GLU 333 1HB GLU 333 26.805 -6.359 -6.992 974 HB3 GLU 333 2HB GLU 333 26.074 -5.897 -8.528 975 HG2 GLU 333 1HG GLU 333 26.316 -3.967 -6.198 976 HG3 GLU 333 2HG GLU 333 27.527 -4.151 -7.456 977 H ILE 334 H ILE 334 22.986 -7.605 -5.780 978 HA ILE 334 HA ILE 334 23.181 -9.923 -7.433 979 HB ILE 334 HB ILE 334 20.747 -9.165 -5.855 980 HG12 ILE 334 1HG1 ILE 334 22.223 -10.650 -4.013 981 HG13 ILE 334 2HG1 ILE 334 23.496 -9.692 -4.747 982 HG21 ILE 334 1HG2 ILE 334 20.590 -11.550 -5.319 983 HG22 ILE 334 2HG2 ILE 334 20.532 -11.254 -7.040 984 HG23 ILE 334 3HG2 ILE 334 22.045 -11.863 -6.280 985 HD11 ILE 334 1HD1 ILE 334 22.489 -8.564 -2.761 986 HD12 ILE 334 2HD1 ILE 334 22.157 -7.617 -4.216 987 HD13 ILE 334 3HD1 ILE 334 20.899 -8.660 -3.530 988 H ILE 335 H ILE 335 21.583 -10.678 -8.939 989 HA ILE 335 HA ILE 335 20.066 -8.519 -10.363 990 HB ILE 335 HB ILE 335 21.639 -10.806 -11.606 991 HG12 ILE 335 1HG1 ILE 335 22.142 -7.806 -11.424 992 HG13 ILE 335 2HG1 ILE 335 23.114 -9.078 -10.705 993 HG21 ILE 335 1HG2 ILE 335 20.051 -8.554 -12.906 994 HG22 ILE 335 2HG2 ILE 335 21.045 -9.746 -13.776 995 HG23 ILE 335 3HG2 ILE 335 19.612 -10.269 -12.921 996 HD11 ILE 335 1HD1 ILE 335 22.908 -8.484 -13.651 997 HD12 ILE 335 2HD1 ILE 335 24.309 -8.306 -12.586 998 HD13 ILE 335 3HD1 ILE 335 23.700 -9.929 -12.959 999 H HIS 336 H HIS 336 20.144 -11.920 -9.348 1000 HA HIS 336 HA HIS 336 17.283 -12.182 -10.134 1001 HB2 HIS 336 1HB HIS 336 19.364 -14.352 -9.725 1002 HB3 HIS 336 2HB HIS 336 17.719 -14.545 -10.332 1003 HD1 HIS 336 HD1 HIS 336 17.301 -13.678 -12.903 1004 HD2 HIS 336 HD2 HIS 336 21.209 -13.321 -11.397 1005 HE1 HIS 336 HE1 HIS 336 18.782 -13.064 -14.882 1006 H GLU 337 H GLU 337 17.196 -10.762 -8.079 1007 HA GLU 337 HA GLU 337 17.661 -12.062 -5.522 1008 HB2 GLU 337 1HB GLU 337 15.989 -9.645 -6.339 1009 HB3 GLU 337 2HB GLU 337 16.199 -10.173 -4.662 1010 HG2 GLU 337 1HG GLU 337 18.605 -9.820 -4.765 1011 HG3 GLU 337 2HG GLU 337 18.512 -9.409 -6.485 1012 H ASP 338 H ASP 338 15.858 -12.720 -4.058 1013 HA ASP 338 HA ASP 338 14.184 -14.555 -5.355 1014 HB2 ASP 338 1HB ASP 338 15.001 -14.612 -2.960 1015 HB3 ASP 338 2HB ASP 338 13.685 -13.490 -2.565 1016 H ASN 339 H ASN 339 13.270 -11.261 -4.158 1017 HA ASN 339 HA ASN 339 10.551 -11.773 -5.296 1018 HB2 ASN 339 1HB ASN 339 11.450 -9.730 -3.264 1019 HB3 ASN 339 2HB ASN 339 9.817 -9.842 -3.919 1020 HD21 ASN 339 1HD2 ASN 339 9.353 -13.143 -2.188 1021 HD22 ASN 339 2HD2 ASN 339 9.126 -12.504 -3.806 1022 H GLU 340 H GLU 340 9.717 -10.392 -6.798 1023 HA GLU 340 HA GLU 340 11.552 -8.983 -8.442 1024 HB2 GLU 340 1HB GLU 340 8.808 -9.842 -8.609 1025 HB3 GLU 340 2HB GLU 340 8.869 -8.126 -8.990 1026 HG2 GLU 340 1HG GLU 340 9.121 -9.327 -11.027 1027 HG3 GLU 340 2HG GLU 340 10.641 -8.511 -10.653 1028 H TRP 341 H TRP 341 8.746 -7.515 -6.628 1029 HA TRP 341 HA TRP 341 8.366 -5.442 -5.895 1030 HB2 TRP 341 2HB TRP 341 11.308 -5.443 -5.244 1031 HB3 TRP 341 3HB TRP 341 10.103 -4.316 -4.637 1032 HD1 TRP 341 HD1 TRP 341 11.927 -7.140 -3.470 1033 HE1 TRP 341 1HE TRP 341 10.883 -8.202 -1.416 1034 HE3 TRP 341 3HE TRP 341 7.276 -5.010 -3.828 1035 HZ2 TRP 341 2HZ TRP 341 8.137 -8.473 -0.371 1036 HZ3 TRP 341 3HZ TRP 341 5.459 -5.724 -2.306 1037 HH2 TRP 341 HH2 TRP 341 5.876 -7.435 -0.578 1038 H GLY 342 H GLY 342 7.925 -5.165 -8.319 1039 HA2 GLY 342 1HA GLY 342 9.787 -3.324 -9.704 1040 HA3 GLY 342 2HA GLY 342 8.242 -3.947 -10.315 1041 H ILE 343 H ILE 343 9.393 -1.045 -9.858 1042 HA ILE 343 HA ILE 343 7.572 0.067 -7.844 1043 HB ILE 343 HB ILE 343 9.413 1.427 -9.862 1044 HG12 ILE 343 1HG1 ILE 343 9.786 0.788 -6.903 1045 HG13 ILE 343 2HG1 ILE 343 10.694 0.099 -8.255 1046 HG21 ILE 343 1HG2 ILE 343 9.129 3.482 -8.524 1047 HG22 ILE 343 2HG2 ILE 343 7.592 2.966 -9.138 1048 HG23 ILE 343 3HG2 ILE 343 7.993 2.630 -7.439 1049 HD11 ILE 343 1HD1 ILE 343 11.559 2.439 -8.754 1050 HD12 ILE 343 2HD1 ILE 343 10.839 2.958 -7.210 1051 HD13 ILE 343 3HD1 ILE 343 12.104 1.724 -7.224 1052 H GLU 344 H GLU 344 5.690 1.245 -8.188 1053 HA GLU 344 HA GLU 344 4.825 1.818 -10.943 1054 HB2 GLU 344 1HB GLU 344 3.513 -0.116 -9.056 1055 HB3 GLU 344 2HB GLU 344 2.433 1.086 -9.744 1056 HG2 GLU 344 1HG GLU 344 4.088 -0.922 -11.249 1057 HG3 GLU 344 2HG GLU 344 2.325 -0.776 -11.181 1058 H LEU 345 H LEU 345 3.070 3.372 -11.079 1059 HA LEU 345 HA LEU 345 3.039 5.318 -8.870 1060 HB2 LEU 345 1HB LEU 345 4.287 5.930 -10.958 1061 HB3 LEU 345 2HB LEU 345 2.817 5.715 -11.903 1062 HG LEU 345 HG LEU 345 2.866 7.516 -9.500 1063 HD11 LEU 345 1HD1 LEU 345 3.585 8.443 -12.307 1064 HD12 LEU 345 2HD1 LEU 345 4.778 8.175 -11.033 1065 HD13 LEU 345 3HD1 LEU 345 3.554 9.429 -10.829 1066 HD21 LEU 345 1HD2 LEU 345 0.632 7.261 -10.423 1067 HD22 LEU 345 2HD2 LEU 345 1.225 7.513 -12.077 1068 HD23 LEU 345 3HD2 LEU 345 1.203 8.848 -10.917 1069 H VAL 346 H VAL 346 1.007 5.344 -7.924 1070 HA VAL 346 HA VAL 346 -1.326 4.554 -9.639 1071 HB VAL 346 HB VAL 346 -0.524 3.694 -6.905 1072 HG11 VAL 346 1HG1 VAL 346 -2.731 4.609 -6.378 1073 HG12 VAL 346 2HG1 VAL 346 -3.421 3.747 -7.749 1074 HG13 VAL 346 3HG1 VAL 346 -2.767 2.843 -6.372 1075 HG21 VAL 346 1HG2 VAL 346 -1.219 1.511 -7.806 1076 HG22 VAL 346 2HG2 VAL 346 -2.110 2.278 -9.132 1077 HG23 VAL 346 3HG2 VAL 346 -0.357 2.307 -9.142 1078 H SER 347 H SER 347 -2.651 6.037 -9.979 1079 HA SER 347 HA SER 347 -3.650 7.763 -8.023 1080 HB2 SER 347 1HB SER 347 -2.963 9.989 -9.118 1081 HB3 SER 347 2HB SER 347 -1.856 9.161 -8.062 1082 HG SER 347 HG SER 347 -1.645 8.694 -10.836 1083 H GLU 348 H GLU 348 -5.353 8.963 -8.639 1084 HA GLU 348 HA GLU 348 -7.266 9.447 -9.549 1085 HB2 GLU 348 1HB GLU 348 -5.974 9.007 -12.244 1086 HB3 GLU 348 2HB GLU 348 -7.510 9.834 -11.932 1087 HG2 GLU 348 1HG GLU 348 -6.323 11.479 -10.469 1088 HG3 GLU 348 2HG GLU 348 -4.783 10.690 -10.824 Start of MODEL 9 1 H1 MET 1 H MET 1 2.978 -15.467 6.101 2 HA MET 1 HA MET 1 3.261 -16.280 8.400 3 HB2 MET 1 1HB MET 1 6.129 -16.649 7.502 4 HB3 MET 1 2HB MET 1 5.655 -16.490 9.196 5 HG2 MET 1 1HG MET 1 5.800 -18.841 8.645 6 HG3 MET 1 2HG MET 1 4.143 -18.395 9.025 7 HE1 MET 1 1HE MET 1 5.733 -19.632 4.855 8 HE2 MET 1 2HE MET 1 6.379 -18.226 5.727 9 HE3 MET 1 3HE MET 1 6.591 -19.863 6.396 10 H GLY 2 H GLY 2 6.193 -14.378 7.636 11 HA2 GLY 2 1HA GLY 2 4.845 -12.045 8.913 12 HA3 GLY 2 2HA GLY 2 6.572 -12.403 8.818 13 H TRP 3 H TRP 3 6.661 -10.111 7.800 14 HA TRP 3 HA TRP 3 5.448 -9.808 5.148 15 HB2 TRP 3 2HB TRP 3 7.492 -8.204 6.737 16 HB3 TRP 3 3HB TRP 3 7.005 -7.799 5.100 17 HD1 TRP 3 HD1 TRP 3 6.339 -6.567 8.331 18 HE1 TRP 3 1HE TRP 3 4.093 -5.458 8.576 19 HE3 TRP 3 3HE TRP 3 4.114 -8.396 4.096 20 HZ2 TRP 3 2HZ TRP 3 1.434 -5.702 7.289 21 HZ3 TRP 3 3HZ TRP 3 1.809 -7.869 3.567 22 HH2 TRP 3 HH2 TRP 3 0.398 -6.532 5.190 23 H MET 4 H MET 4 6.351 -10.562 3.280 24 HA MET 4 HA MET 4 8.708 -12.240 3.359 25 HB2 MET 4 1HB MET 4 7.342 -10.981 0.958 26 HB3 MET 4 2HB MET 4 8.619 -12.202 0.889 27 HG2 MET 4 1HG MET 4 5.971 -12.654 2.280 28 HG3 MET 4 2HG MET 4 6.305 -13.092 0.604 29 HE1 MET 4 1HE MET 4 7.463 -15.195 -0.190 30 HE2 MET 4 2HE MET 4 7.126 -16.596 0.845 31 HE3 MET 4 3HE MET 4 5.837 -15.436 0.483 32 H PHE 5 H PHE 5 8.192 -8.781 2.428 33 HA PHE 5 HA PHE 5 10.857 -8.393 1.487 34 HB2 PHE 5 2HB PHE 5 10.580 -6.001 2.029 35 HB3 PHE 5 3HB PHE 5 9.314 -6.663 1.030 36 HD1 PHE 5 1HD PHE 5 10.102 -5.579 4.560 37 HD2 PHE 5 2HD PHE 5 7.047 -6.328 1.607 38 HE1 PHE 5 1HE PHE 5 8.394 -4.711 6.103 39 HE2 PHE 5 2HE PHE 5 5.325 -5.444 3.169 40 HZ PHE 5 HZ PHE 5 5.995 -4.663 5.434 41 H LYS 6 H LYS 6 9.570 -8.305 4.840 42 HA LYS 6 HA LYS 6 12.066 -7.421 5.975 43 HB2 LYS 6 1HB LYS 6 9.756 -7.261 7.067 44 HB3 LYS 6 2HB LYS 6 9.870 -9.010 7.351 45 HG2 LYS 6 1HG LYS 6 12.117 -8.479 8.551 46 HG3 LYS 6 2HG LYS 6 11.665 -6.781 8.414 47 HD2 LYS 6 1HD LYS 6 11.163 -7.648 10.605 48 HD3 LYS 6 2HD LYS 6 9.632 -7.256 9.794 49 HE2 LYS 6 1HE LYS 6 9.136 -9.546 9.375 50 HE3 LYS 6 2HE LYS 6 10.809 -10.055 9.616 51 HZ1 LYS 6 1HZ LYS 6 9.250 -10.599 11.420 52 HZ2 LYS 6 2HZ LYS 6 9.163 -8.990 11.806 53 HZ3 LYS 6 3HZ LYS 6 10.590 -9.824 11.924 54 H GLU 7 H GLU 7 10.704 -10.568 5.108 55 HA GLU 7 HA GLU 7 12.607 -12.183 6.496 56 HB2 GLU 7 1HB GLU 7 10.275 -12.702 5.203 57 HB3 GLU 7 2HB GLU 7 11.357 -12.995 3.854 58 HG2 GLU 7 1HG GLU 7 11.006 -15.079 4.890 59 HG3 GLU 7 2HG GLU 7 12.646 -14.603 5.327 60 H ASP 8 H ASP 8 12.408 -10.829 3.188 61 HA ASP 8 HA ASP 8 14.947 -11.895 2.388 62 HB2 ASP 8 1HB ASP 8 12.714 -10.888 0.980 63 HB3 ASP 8 2HB ASP 8 13.887 -9.645 0.742 64 H HIS 9 H HIS 9 14.106 -8.404 2.273 65 HA HIS 9 HA HIS 9 16.432 -7.564 3.810 66 HB2 HIS 9 1HB HIS 9 17.142 -6.156 1.737 67 HB3 HIS 9 2HB HIS 9 17.610 -7.846 1.859 68 HD1 HIS 9 HD1 HIS 9 14.448 -6.217 0.339 69 HD2 HIS 9 HD2 HIS 9 17.453 -9.063 -0.418 70 HE1 HIS 9 HE1 HIS 9 13.898 -7.271 -1.938 71 H SER 10 H SER 10 15.608 -5.958 5.038 72 HA SER 10 HA SER 10 13.280 -4.446 4.021 73 HB2 SER 10 1HB SER 10 13.202 -3.900 6.561 74 HB3 SER 10 2HB SER 10 12.865 -5.558 6.081 75 HG SER 10 HG SER 10 14.379 -5.697 7.736 76 H LEU 11 H LEU 11 15.892 -3.649 6.198 77 HA LEU 11 HA LEU 11 15.871 -0.971 5.923 78 HB2 LEU 11 1HB LEU 11 18.153 -0.926 6.805 79 HB3 LEU 11 2HB LEU 11 17.021 -1.941 7.664 80 HG LEU 11 HG LEU 11 18.490 -3.536 5.684 81 HD11 LEU 11 1HD1 LEU 11 20.142 -2.122 7.810 82 HD12 LEU 11 2HD1 LEU 11 20.274 -1.891 6.051 83 HD13 LEU 11 3HD1 LEU 11 20.674 -3.463 6.769 84 HD21 LEU 11 1HD2 LEU 11 18.337 -3.692 8.719 85 HD22 LEU 11 2HD2 LEU 11 18.922 -4.965 7.628 86 HD23 LEU 11 3HD2 LEU 11 17.218 -4.478 7.591 87 H GLU 12 H GLU 12 18.144 -2.889 3.947 88 HA GLU 12 HA GLU 12 19.198 -0.501 2.725 89 HB2 GLU 12 1HB GLU 12 20.175 -2.935 2.764 90 HB3 GLU 12 2HB GLU 12 19.325 -3.116 1.231 91 HG2 GLU 12 1HG GLU 12 21.385 -0.970 1.945 92 HG3 GLU 12 2HG GLU 12 21.678 -2.394 0.967 93 H HIS 13 H HIS 13 16.968 -2.887 1.383 94 HA HIS 13 HA HIS 13 16.276 -1.684 -0.992 95 HB2 HIS 13 1HB HIS 13 15.757 -3.986 0.084 96 HB3 HIS 13 2HB HIS 13 14.332 -3.212 0.765 97 HD1 HIS 13 HD1 HIS 13 15.555 -4.939 -2.378 98 HD2 HIS 13 HD2 HIS 13 12.517 -2.263 -1.150 99 HE1 HIS 13 HE1 HIS 13 13.688 -5.211 -4.012 100 H ARG 14 H ARG 14 14.815 -1.038 2.243 101 HA ARG 14 HA ARG 14 12.840 0.842 1.210 102 HB2 ARG 14 1HB ARG 14 13.888 0.057 3.939 103 HB3 ARG 14 2HB ARG 14 13.038 1.585 3.777 104 HG2 ARG 14 1HG ARG 14 11.628 -0.351 4.513 105 HG3 ARG 14 2HG ARG 14 11.004 0.603 3.163 106 HD2 ARG 14 1HD ARG 14 12.603 -1.835 2.526 107 HD3 ARG 14 2HD ARG 14 11.076 -2.088 3.361 108 HE ARG 14 HE ARG 14 10.488 -0.343 1.246 109 HH11 ARG 14 1HH1 ARG 14 11.661 -3.549 1.864 110 HH12 ARG 14 2HH1 ARG 14 10.921 -4.309 0.463 111 HH21 ARG 14 1HH2 ARG 14 9.301 -1.266 -0.434 112 HH22 ARG 14 2HH2 ARG 14 9.393 -2.984 -0.730 113 H CYS 15 H CYS 15 16.064 1.204 2.789 114 HA CYS 15 HA CYS 15 16.115 4.007 2.883 115 HB2 CYS 15 2HB CYS 15 18.303 1.912 2.556 116 HB3 CYS 15 3HB CYS 15 18.660 3.623 2.696 117 HG CYS 15 HG CYS 15 16.900 1.748 4.812 118 H VAL 16 H VAL 16 17.535 1.911 0.294 119 HA VAL 16 HA VAL 16 18.213 4.089 -1.373 120 HB VAL 16 HB VAL 16 19.165 1.794 -1.456 121 HG11 VAL 16 1HG1 VAL 16 18.210 0.038 -2.776 122 HG12 VAL 16 2HG1 VAL 16 17.047 0.468 -1.527 123 HG13 VAL 16 3HG1 VAL 16 16.790 1.017 -3.197 124 HG21 VAL 16 1HG2 VAL 16 19.584 1.813 -3.869 125 HG22 VAL 16 2HG2 VAL 16 18.224 2.931 -4.102 126 HG23 VAL 16 3HG2 VAL 16 19.647 3.448 -3.187 127 H GLU 17 H GLU 17 15.172 2.061 -1.396 128 HA GLU 17 HA GLU 17 14.202 3.512 -3.659 129 HB2 GLU 17 1HB GLU 17 12.781 1.859 -1.558 130 HB3 GLU 17 2HB GLU 17 11.916 2.668 -2.859 131 HG2 GLU 17 1HG GLU 17 14.222 0.755 -3.369 132 HG3 GLU 17 2HG GLU 17 12.538 0.285 -3.307 133 H SER 18 H SER 18 13.882 4.215 -0.131 134 HA SER 18 HA SER 18 12.018 6.306 -0.433 135 HB2 SER 18 1HB SER 18 12.868 5.213 1.699 136 HB3 SER 18 2HB SER 18 14.305 6.238 1.576 137 HG SER 18 HG SER 18 12.601 6.981 2.920 138 H ALA 19 H ALA 19 15.637 6.371 -0.574 139 HA ALA 19 HA ALA 19 15.880 9.142 -1.082 140 HB1 ALA 19 1HB ALA 19 17.734 7.610 -0.434 141 HB2 ALA 19 2HB ALA 19 17.696 6.882 -2.044 142 HB3 ALA 19 3HB ALA 19 18.130 8.598 -1.847 143 H LYS 20 H LYS 20 15.824 6.425 -3.430 144 HA LYS 20 HA LYS 20 15.986 7.885 -5.833 145 HB2 LYS 20 1HB LYS 20 14.482 5.299 -5.186 146 HB3 LYS 20 2HB LYS 20 14.709 5.911 -6.823 147 HG2 LYS 20 1HG LYS 20 17.009 5.456 -6.833 148 HG3 LYS 20 2HG LYS 20 17.091 5.266 -5.087 149 HD2 LYS 20 1HD LYS 20 17.236 3.083 -6.112 150 HD3 LYS 20 2HD LYS 20 15.702 3.199 -5.250 151 HE2 LYS 20 1HE LYS 20 14.623 3.747 -7.510 152 HE3 LYS 20 2HE LYS 20 16.185 3.383 -8.252 153 HZ1 LYS 20 1HZ LYS 20 14.854 1.463 -8.395 154 HZ2 LYS 20 2HZ LYS 20 14.391 1.503 -6.831 155 HZ3 LYS 20 3HZ LYS 20 15.938 1.112 -7.188 156 H ILE 21 H ILE 21 13.075 6.807 -4.051 157 HA ILE 21 HA ILE 21 11.163 7.903 -5.865 158 HB ILE 21 HB ILE 21 11.097 7.024 -2.955 159 HG12 ILE 21 1HG1 ILE 21 9.890 5.765 -5.471 160 HG13 ILE 21 2HG1 ILE 21 11.492 5.365 -4.880 161 HG21 ILE 21 1HG2 ILE 21 8.688 7.033 -2.978 162 HG22 ILE 21 2HG2 ILE 21 9.272 8.662 -3.196 163 HG23 ILE 21 3HG2 ILE 21 8.659 7.771 -4.604 164 HD11 ILE 21 1HD1 ILE 21 8.938 4.868 -3.359 165 HD12 ILE 21 2HD1 ILE 21 9.987 3.680 -4.156 166 HD13 ILE 21 3HD1 ILE 21 10.564 4.588 -2.734 167 H ARG 22 H ARG 22 12.577 9.257 -2.774 168 HA ARG 22 HA ARG 22 10.861 11.565 -3.022 169 HB2 ARG 22 1HB ARG 22 13.307 10.944 -1.347 170 HB3 ARG 22 2HB ARG 22 12.557 12.534 -1.311 171 HG2 ARG 22 1HG ARG 22 11.135 9.901 -0.679 172 HG3 ARG 22 2HG ARG 22 11.801 11.002 0.518 173 HD2 ARG 22 1HD ARG 22 9.493 11.629 -1.379 174 HD3 ARG 22 2HD ARG 22 9.395 11.278 0.347 175 HE ARG 22 HE ARG 22 11.118 13.552 -0.427 176 HH11 ARG 22 1HH1 ARG 22 7.729 12.841 0.433 177 HH12 ARG 22 2HH1 ARG 22 7.606 14.275 1.391 178 HH21 ARG 22 1HH2 ARG 22 10.738 15.498 0.477 179 HH22 ARG 22 2HH2 ARG 22 9.208 15.838 1.267 180 H ALA 23 H ALA 23 14.016 10.752 -4.378 181 HA ALA 23 HA ALA 23 14.596 13.472 -5.146 182 HB1 ALA 23 1HB ALA 23 16.313 12.436 -6.571 183 HB2 ALA 23 2HB ALA 23 16.350 11.756 -4.938 184 HB3 ALA 23 3HB ALA 23 15.623 10.823 -6.266 185 H LYS 24 H LYS 24 13.092 10.616 -6.891 186 HA LYS 24 HA LYS 24 12.616 12.240 -9.269 187 HB2 LYS 24 1HB LYS 24 11.509 9.564 -8.319 188 HB3 LYS 24 2HB LYS 24 11.035 10.344 -9.828 189 HG2 LYS 24 1HG LYS 24 13.476 10.313 -10.524 190 HG3 LYS 24 2HG LYS 24 13.775 9.249 -9.120 191 HD2 LYS 24 1HD LYS 24 11.981 7.713 -9.945 192 HD3 LYS 24 2HD LYS 24 11.704 8.798 -11.322 193 HE2 LYS 24 1HE LYS 24 14.145 8.476 -11.912 194 HE3 LYS 24 2HE LYS 24 14.178 7.148 -10.749 195 HZ1 LYS 24 1HZ LYS 24 13.626 6.398 -13.052 196 HZ2 LYS 24 2HZ LYS 24 12.311 7.338 -13.047 197 HZ3 LYS 24 3HZ LYS 24 12.389 6.087 -12.005 198 H TYR 25 H TYR 25 10.460 10.938 -6.722 199 HA TYR 25 HA TYR 25 8.283 12.800 -7.457 200 HB2 TYR 25 2HB TYR 25 7.968 10.014 -6.303 201 HB3 TYR 25 3HB TYR 25 6.781 11.021 -7.122 202 HD1 TYR 25 1HD TYR 25 8.953 8.190 -7.403 203 HD2 TYR 25 2HD TYR 25 7.392 11.522 -9.697 204 HE1 TYR 25 1HE TYR 25 9.452 6.991 -9.476 205 HE2 TYR 25 2HE TYR 25 7.876 10.310 -11.776 206 HH TYR 25 HH TYR 25 8.847 8.415 -12.712 207 HA PRO 26 HA PRO 26 9.653 13.366 -3.007 208 HB2 PRO 26 2HB PRO 26 9.150 16.129 -2.991 209 HB3 PRO 26 3HB PRO 26 10.723 15.311 -3.185 210 HG2 PRO 26 2HG PRO 26 8.956 16.548 -5.254 211 HG3 PRO 26 3HG PRO 26 10.730 16.384 -5.266 212 HD2 PRO 26 2HD PRO 26 8.967 14.759 -6.701 213 HD3 PRO 26 3HD PRO 26 10.629 14.278 -6.226 214 H ASP 27 H ASP 27 6.816 14.582 -4.835 215 HA ASP 27 HA ASP 27 5.246 14.839 -2.369 216 HB2 ASP 27 1HB ASP 27 4.501 14.872 -5.324 217 HB3 ASP 27 2HB ASP 27 3.368 15.184 -4.044 218 H ARG 28 H ARG 28 6.319 12.021 -3.771 219 HA ARG 28 HA ARG 28 3.645 10.687 -3.389 220 HB2 ARG 28 1HB ARG 28 5.993 9.817 -5.089 221 HB3 ARG 28 2HB ARG 28 4.630 8.777 -4.653 222 HG2 ARG 28 1HG ARG 28 3.043 10.340 -5.674 223 HG3 ARG 28 2HG ARG 28 4.376 11.354 -6.232 224 HD2 ARG 28 1HD ARG 28 5.151 9.607 -7.699 225 HD3 ARG 28 2HD ARG 28 4.170 8.384 -6.887 226 HE ARG 28 HE ARG 28 2.478 8.814 -8.291 227 HH11 ARG 28 1HH1 ARG 28 4.329 11.887 -8.190 228 HH12 ARG 28 2HH1 ARG 28 3.508 12.538 -9.548 229 HH21 ARG 28 1HH2 ARG 28 1.506 9.684 -10.191 230 HH22 ARG 28 2HH2 ARG 28 1.768 11.354 -10.563 231 H VAL 29 H VAL 29 3.365 9.048 -1.989 232 HA VAL 29 HA VAL 29 5.579 8.597 -0.125 233 HB VAL 29 HB VAL 29 3.969 8.199 1.534 234 HG11 VAL 29 1HG1 VAL 29 2.865 10.341 1.660 235 HG12 VAL 29 2HG1 VAL 29 4.455 10.559 0.912 236 HG13 VAL 29 3HG1 VAL 29 2.979 10.566 -0.083 237 HG21 VAL 29 1HG2 VAL 29 1.543 8.300 1.221 238 HG22 VAL 29 2HG2 VAL 29 1.745 8.506 -0.526 239 HG23 VAL 29 3HG2 VAL 29 2.200 6.974 0.268 240 HA PRO 30 HA PRO 30 5.901 4.474 -1.837 241 HB2 PRO 30 2HB PRO 30 7.643 3.356 -0.063 242 HB3 PRO 30 3HB PRO 30 8.130 4.674 -1.179 243 HG2 PRO 30 2HG PRO 30 7.360 4.880 1.737 244 HG3 PRO 30 3HG PRO 30 8.731 5.659 0.894 245 HD2 PRO 30 2HD PRO 30 6.314 6.903 1.413 246 HD3 PRO 30 3HD PRO 30 7.361 7.313 0.026 247 H VAL 31 H VAL 31 4.207 2.956 -1.726 248 HA VAL 31 HA VAL 31 3.547 1.913 0.956 249 HB VAL 31 HB VAL 31 1.631 2.401 -1.329 250 HG11 VAL 31 1HG1 VAL 31 -0.052 2.190 0.595 251 HG12 VAL 31 2HG1 VAL 31 0.785 0.703 0.153 252 HG13 VAL 31 3HG1 VAL 31 1.281 1.608 1.597 253 HG21 VAL 31 1HG2 VAL 31 0.711 4.285 0.048 254 HG22 VAL 31 2HG2 VAL 31 2.141 4.178 1.088 255 HG23 VAL 31 3HG2 VAL 31 2.306 4.605 -0.622 256 H ILE 32 H ILE 32 2.930 -0.238 1.076 257 HA ILE 32 HA ILE 32 3.444 -2.024 -1.234 258 HB ILE 32 HB ILE 32 4.296 -2.358 1.680 259 HG12 ILE 32 1HG1 ILE 32 5.857 -1.015 0.339 260 HG13 ILE 32 2HG1 ILE 32 6.552 -2.552 0.787 261 HG21 ILE 32 1HG2 ILE 32 3.545 -4.529 1.065 262 HG22 ILE 32 2HG2 ILE 32 4.205 -4.396 -0.569 263 HG23 ILE 32 3HG2 ILE 32 5.301 -4.561 0.819 264 HD11 ILE 32 1HD1 ILE 32 7.170 -1.998 -1.495 265 HD12 ILE 32 2HD1 ILE 32 6.104 -3.404 -1.533 266 HD13 ILE 32 3HD1 ILE 32 5.474 -1.803 -1.954 267 H VAL 33 H VAL 33 1.771 -3.444 -1.549 268 HA VAL 33 HA VAL 33 -0.566 -3.309 0.283 269 HB VAL 33 HB VAL 33 -0.364 -3.150 -2.761 270 HG11 VAL 33 1HG1 VAL 33 -2.749 -2.905 -2.903 271 HG12 VAL 33 2HG1 VAL 33 -2.385 -4.432 -2.088 272 HG13 VAL 33 3HG1 VAL 33 -2.936 -3.027 -1.152 273 HG21 VAL 33 1HG2 VAL 33 0.111 -0.971 -1.692 274 HG22 VAL 33 2HG2 VAL 33 -1.422 -0.944 -2.566 275 HG23 VAL 33 3HG2 VAL 33 -1.423 -1.085 -0.800 276 H GLU 34 H GLU 34 -0.956 -5.446 1.081 277 HA GLU 34 HA GLU 34 -0.554 -7.665 -0.908 278 HB2 GLU 34 1HB GLU 34 0.387 -7.533 1.971 279 HB3 GLU 34 2HB GLU 34 0.288 -9.021 1.019 280 HG2 GLU 34 1HG GLU 34 1.824 -7.956 -0.688 281 HG3 GLU 34 2HG GLU 34 2.047 -6.601 0.434 282 H LYS 35 H LYS 35 -1.742 -9.633 -0.454 283 HA LYS 35 HA LYS 35 -4.308 -9.030 0.854 284 HB2 LYS 35 1HB LYS 35 -5.159 -11.101 -0.101 285 HB3 LYS 35 2HB LYS 35 -4.460 -10.034 -1.293 286 HG2 LYS 35 1HG LYS 35 -3.771 -12.003 -2.074 287 HG3 LYS 35 2HG LYS 35 -2.354 -11.532 -1.155 288 HD2 LYS 35 1HD LYS 35 -2.808 -13.176 0.546 289 HD3 LYS 35 2HD LYS 35 -4.440 -13.496 -0.121 290 HE2 LYS 35 1HE LYS 35 -3.681 -14.659 -1.915 291 HE3 LYS 35 2HE LYS 35 -2.171 -13.739 -2.051 292 HZ1 LYS 35 1HZ LYS 35 -2.699 -15.990 -0.202 293 HZ2 LYS 35 2HZ LYS 35 -1.324 -15.069 -0.185 294 HZ3 LYS 35 3HZ LYS 35 -1.689 -15.971 -1.487 295 H VAL 36 H VAL 36 -5.263 -10.330 2.468 296 HA VAL 36 HA VAL 36 -3.509 -11.150 4.579 297 HB VAL 36 HB VAL 36 -6.492 -11.281 4.038 298 HG11 VAL 36 1HG1 VAL 36 -6.037 -13.287 5.401 299 HG12 VAL 36 2HG1 VAL 36 -5.123 -12.305 6.555 300 HG13 VAL 36 3HG1 VAL 36 -6.872 -12.053 6.353 301 HG21 VAL 36 1HG2 VAL 36 -4.846 -9.825 6.158 302 HG22 VAL 36 2HG2 VAL 36 -5.449 -9.095 4.659 303 HG23 VAL 36 3HG2 VAL 36 -6.591 -9.665 5.881 304 H SER 37 H SER 37 -2.757 -13.156 5.113 305 HA SER 37 HA SER 37 -2.552 -15.144 3.064 306 HB2 SER 37 1HB SER 37 -0.868 -14.662 4.872 307 HB3 SER 37 2HB SER 37 -1.963 -15.426 6.036 308 HG SER 37 HG SER 37 -0.961 -17.136 5.491 309 H GLY 38 H GLY 38 -4.150 -16.471 2.451 310 HA2 GLY 38 1HA GLY 38 -5.531 -18.350 2.949 311 HA3 GLY 38 2HA GLY 38 -6.081 -17.561 4.431 312 H SER 39 H SER 39 -6.005 -15.003 2.280 313 HA SER 39 HA SER 39 -8.898 -15.194 1.790 314 HB2 SER 39 1HB SER 39 -6.843 -13.002 1.343 315 HB3 SER 39 2HB SER 39 -8.561 -12.874 0.944 316 HG SER 39 HG SER 39 -8.037 -13.755 3.528 317 H GLN 40 H GLN 40 -9.518 -16.308 0.047 318 HA GLN 40 HA GLN 40 -7.973 -17.209 -2.091 319 HB2 GLN 40 1HB GLN 40 -10.065 -18.176 -1.239 320 HB3 GLN 40 2HB GLN 40 -10.971 -16.793 -1.818 321 HG2 GLN 40 1HG GLN 40 -9.366 -18.368 -3.833 322 HG3 GLN 40 2HG GLN 40 -10.782 -19.134 -3.143 323 HE21 GLN 40 1HE2 GLN 40 -13.104 -16.759 -4.656 324 HE22 GLN 40 2HE2 GLN 40 -12.859 -17.521 -3.089 325 H ILE 41 H ILE 41 -9.475 -14.102 -1.701 326 HA ILE 41 HA ILE 41 -10.150 -13.394 -4.276 327 HB ILE 41 HB ILE 41 -10.652 -12.190 -2.145 328 HG12 ILE 41 1HG1 ILE 41 -10.731 -9.951 -2.930 329 HG13 ILE 41 2HG1 ILE 41 -9.530 -10.246 -4.185 330 HG21 ILE 41 1HG2 ILE 41 -9.053 -10.535 -1.233 331 HG22 ILE 41 2HG2 ILE 41 -8.365 -12.174 -1.162 332 HG23 ILE 41 3HG2 ILE 41 -7.837 -11.035 -2.406 333 HD11 ILE 41 1HD1 ILE 41 -11.987 -10.263 -4.907 334 HD12 ILE 41 2HD1 ILE 41 -11.091 -11.709 -5.369 335 HD13 ILE 41 3HD1 ILE 41 -12.154 -11.744 -3.943 336 H VAL 42 H VAL 42 -9.263 -11.909 -5.794 337 HA VAL 42 HA VAL 42 -6.901 -12.606 -6.954 338 HB VAL 42 HB VAL 42 -7.003 -10.394 -8.132 339 HG11 VAL 42 1HG1 VAL 42 -9.571 -12.044 -8.108 340 HG12 VAL 42 2HG1 VAL 42 -9.014 -10.983 -9.419 341 HG13 VAL 42 3HG1 VAL 42 -8.087 -12.425 -9.004 342 HG21 VAL 42 1HG2 VAL 42 -8.180 -9.019 -6.395 343 HG22 VAL 42 2HG2 VAL 42 -9.023 -9.011 -7.947 344 HG23 VAL 42 3HG2 VAL 42 -9.641 -10.004 -6.621 345 H ASP 43 H ASP 43 -4.967 -12.514 -6.370 346 HA ASP 43 HA ASP 43 -3.936 -10.832 -4.184 347 HB2 ASP 43 1HB ASP 43 -3.369 -13.175 -4.181 348 HB3 ASP 43 2HB ASP 43 -2.880 -13.100 -5.874 349 H ILE 44 H ILE 44 -1.686 -9.845 -4.632 350 HA ILE 44 HA ILE 44 -1.531 -8.654 -7.327 351 HB ILE 44 HB ILE 44 -2.635 -7.044 -5.863 352 HG12 ILE 44 1HG1 ILE 44 0.227 -6.152 -6.422 353 HG13 ILE 44 2HG1 ILE 44 -0.988 -6.396 -7.677 354 HG21 ILE 44 1HG2 ILE 44 -1.658 -7.806 -3.671 355 HG22 ILE 44 2HG2 ILE 44 -0.116 -7.084 -4.141 356 HG23 ILE 44 3HG2 ILE 44 -1.528 -6.053 -3.907 357 HD11 ILE 44 1HD1 ILE 44 -1.222 -4.395 -5.398 358 HD12 ILE 44 2HD1 ILE 44 -0.835 -4.062 -7.086 359 HD13 ILE 44 3HD1 ILE 44 -2.435 -4.700 -6.675 360 H ASP 45 H ASP 45 0.534 -8.543 -8.102 361 HA ASP 45 HA ASP 45 2.493 -10.232 -6.869 362 HB2 ASP 45 1HB ASP 45 2.183 -9.491 -9.380 363 HB3 ASP 45 2HB ASP 45 3.286 -8.197 -8.945 364 H LYS 46 H LYS 46 4.761 -9.443 -6.419 365 HA LYS 46 HA LYS 46 4.674 -7.479 -4.237 366 HB2 LYS 46 1HB LYS 46 6.785 -9.294 -5.473 367 HB3 LYS 46 2HB LYS 46 7.256 -7.999 -4.395 368 HG2 LYS 46 1HG LYS 46 7.064 -9.902 -3.004 369 HG3 LYS 46 2HG LYS 46 5.658 -8.889 -2.676 370 HD2 LYS 46 1HD LYS 46 4.319 -10.386 -4.222 371 HD3 LYS 46 2HD LYS 46 5.716 -11.464 -4.269 372 HE2 LYS 46 1HE LYS 46 5.499 -12.017 -1.970 373 HE3 LYS 46 2HE LYS 46 4.609 -10.519 -1.619 374 HZ1 LYS 46 1HZ LYS 46 3.118 -12.365 -1.589 375 HZ2 LYS 46 2HZ LYS 46 3.515 -12.792 -3.135 376 HZ3 LYS 46 3HZ LYS 46 2.751 -11.350 -2.824 377 H ARG 47 H ARG 47 4.394 -5.415 -4.840 378 HA ARG 47 HA ARG 47 6.272 -4.261 -6.813 379 HB2 ARG 47 1HB ARG 47 3.254 -3.870 -6.759 380 HB3 ARG 47 2HB ARG 47 4.349 -2.898 -7.726 381 HG2 ARG 47 1HG ARG 47 3.903 -5.892 -8.057 382 HG3 ARG 47 2HG ARG 47 3.168 -4.635 -9.017 383 HD2 ARG 47 1HD ARG 47 6.137 -5.057 -8.874 384 HD3 ARG 47 2HD ARG 47 5.099 -5.795 -10.062 385 HE ARG 47 HE ARG 47 5.198 -2.833 -9.764 386 HH11 ARG 47 1HH1 ARG 47 5.818 -5.654 -11.829 387 HH12 ARG 47 2HH1 ARG 47 6.473 -4.761 -13.142 388 HH21 ARG 47 1HH2 ARG 47 5.955 -1.582 -11.633 389 HH22 ARG 47 2HH2 ARG 47 6.311 -2.427 -13.099 390 H LYS 48 H LYS 48 6.611 -2.093 -6.565 391 HA LYS 48 HA LYS 48 6.117 -0.962 -3.849 392 HB2 LYS 48 1HB LYS 48 7.954 0.226 -5.959 393 HB3 LYS 48 2HB LYS 48 7.920 0.534 -4.237 394 HG2 LYS 48 1HG LYS 48 8.604 -1.947 -3.938 395 HG3 LYS 48 2HG LYS 48 8.862 -1.953 -5.687 396 HD2 LYS 48 1HD LYS 48 10.463 0.029 -5.353 397 HD3 LYS 48 2HD LYS 48 10.264 -0.240 -3.620 398 HE2 LYS 48 1HE LYS 48 12.122 -1.536 -3.876 399 HE3 LYS 48 2HE LYS 48 10.948 -2.756 -4.303 400 HZ1 LYS 48 1HZ LYS 48 11.391 -2.273 -6.626 401 HZ2 LYS 48 2HZ LYS 48 12.697 -2.733 -5.855 402 HZ3 LYS 48 3HZ LYS 48 12.544 -1.114 -6.169 403 H TYR 49 H TYR 49 3.986 -0.209 -3.931 404 HA TYR 49 HA TYR 49 3.069 1.315 -6.305 405 HB2 TYR 49 2HB TYR 49 1.801 0.001 -3.909 406 HB3 TYR 49 3HB TYR 49 1.000 1.376 -4.623 407 HD1 TYR 49 1HD TYR 49 2.846 -1.322 -6.500 408 HD2 TYR 49 2HD TYR 49 -0.921 0.587 -5.612 409 HE1 TYR 49 1HE TYR 49 1.779 -2.551 -8.366 410 HE2 TYR 49 2HE TYR 49 -1.988 -0.664 -7.455 411 HH TYR 49 HH TYR 49 -0.194 -3.009 -9.509 412 H LEU 50 H LEU 50 3.462 3.412 -6.462 413 HA LEU 50 HA LEU 50 4.115 5.012 -4.030 414 HB2 LEU 50 1HB LEU 50 4.605 5.589 -6.966 415 HB3 LEU 50 2HB LEU 50 5.270 6.452 -5.606 416 HG LEU 50 HG LEU 50 5.987 3.702 -6.680 417 HD11 LEU 50 1HD1 LEU 50 8.261 4.686 -6.736 418 HD12 LEU 50 2HD1 LEU 50 7.594 6.212 -6.102 419 HD13 LEU 50 3HD1 LEU 50 7.102 5.604 -7.699 420 HD21 LEU 50 1HD2 LEU 50 5.927 3.313 -4.276 421 HD22 LEU 50 2HD2 LEU 50 6.850 4.794 -3.991 422 HD23 LEU 50 3HD2 LEU 50 7.595 3.402 -4.827 423 H VAL 51 H VAL 51 2.383 6.328 -3.283 424 HA VAL 51 HA VAL 51 0.472 7.296 -5.380 425 HB VAL 51 HB VAL 51 -0.984 7.752 -3.257 426 HG11 VAL 51 1HG1 VAL 51 -1.734 6.496 -5.152 427 HG12 VAL 51 2HG1 VAL 51 -0.931 5.053 -4.533 428 HG13 VAL 51 3HG1 VAL 51 -2.268 5.764 -3.633 429 HG21 VAL 51 1HG2 VAL 51 -0.936 5.899 -1.613 430 HG22 VAL 51 2HG2 VAL 51 0.635 5.389 -2.269 431 HG23 VAL 51 3HG2 VAL 51 0.457 6.978 -1.523 432 HA PRO 52 HA PRO 52 1.861 11.386 -4.273 433 HB2 PRO 52 2HB PRO 52 -0.165 12.954 -5.172 434 HB3 PRO 52 3HB PRO 52 0.966 12.106 -6.284 435 HG2 PRO 52 2HG PRO 52 -1.789 11.253 -5.392 436 HG3 PRO 52 3HG PRO 52 -1.159 11.284 -7.037 437 HD2 PRO 52 2HD PRO 52 -1.203 8.992 -5.534 438 HD3 PRO 52 3HD PRO 52 0.158 9.327 -6.648 439 H SER 53 H SER 53 1.723 12.690 -2.567 440 HA SER 53 HA SER 53 0.234 12.062 -0.271 441 HB2 SER 53 1HB SER 53 1.618 14.686 -0.944 442 HB3 SER 53 2HB SER 53 1.293 14.045 0.670 443 HG SER 53 HG SER 53 3.088 13.092 -1.310 444 H ASP 54 H ASP 54 -0.795 13.918 -3.003 445 HA ASP 54 HA ASP 54 -2.569 15.676 -1.492 446 HB2 ASP 54 1HB ASP 54 -1.473 15.573 -4.179 447 HB3 ASP 54 2HB ASP 54 -3.215 15.668 -4.291 448 H ILE 55 H ILE 55 -2.921 12.536 -3.168 449 HA ILE 55 HA ILE 55 -5.822 12.826 -3.297 450 HB ILE 55 HB ILE 55 -5.900 10.483 -3.905 451 HG12 ILE 55 1HG1 ILE 55 -3.077 9.931 -4.320 452 HG13 ILE 55 2HG1 ILE 55 -3.379 10.236 -2.624 453 HG21 ILE 55 1HG2 ILE 55 -4.731 10.676 -6.065 454 HG22 ILE 55 2HG2 ILE 55 -5.623 12.141 -5.626 455 HG23 ILE 55 3HG2 ILE 55 -3.864 12.106 -5.462 456 HD11 ILE 55 1HD1 ILE 55 -4.882 8.232 -4.364 457 HD12 ILE 55 2HD1 ILE 55 -3.624 7.850 -3.170 458 HD13 ILE 55 3HD1 ILE 55 -5.174 8.524 -2.632 459 H THR 56 H THR 56 -7.264 11.186 -2.202 460 HA THR 56 HA THR 56 -6.548 11.071 0.693 461 HB THR 56 HB THR 56 -9.095 11.011 0.934 462 HG1 THR 56 1HG THR 56 -8.933 11.997 -1.735 463 HG21 THR 56 1HG2 THR 56 -7.846 13.015 1.484 464 HG22 THR 56 2HG2 THR 56 -9.302 13.472 0.604 465 HG23 THR 56 3HG2 THR 56 -7.740 13.481 -0.230 466 H VAL 57 H VAL 57 -7.490 9.341 2.014 467 HA VAL 57 HA VAL 57 -6.772 6.773 1.121 468 HB VAL 57 HB VAL 57 -8.688 7.654 3.342 469 HG11 VAL 57 1HG1 VAL 57 -7.415 4.917 2.940 470 HG12 VAL 57 2HG1 VAL 57 -8.337 5.461 4.370 471 HG13 VAL 57 3HG1 VAL 57 -9.151 5.303 2.820 472 HG21 VAL 57 1HG2 VAL 57 -6.765 7.212 4.809 473 HG22 VAL 57 2HG2 VAL 57 -5.779 6.735 3.418 474 HG23 VAL 57 3HG2 VAL 57 -6.309 8.418 3.600 475 H ALA 58 H ALA 58 -9.903 8.486 0.910 476 HA ALA 58 HA ALA 58 -11.579 6.366 0.164 477 HB1 ALA 58 1HB ALA 58 -11.533 9.269 -0.828 478 HB2 ALA 58 2HB ALA 58 -12.929 8.195 -0.886 479 HB3 ALA 58 3HB ALA 58 -12.287 8.719 0.675 480 H GLN 59 H GLN 59 -9.555 8.491 -1.950 481 HA GLN 59 HA GLN 59 -10.184 7.174 -4.381 482 HB2 GLN 59 1HB GLN 59 -7.767 8.878 -3.629 483 HB3 GLN 59 2HB GLN 59 -8.330 8.498 -5.257 484 HG2 GLN 59 1HG GLN 59 -10.472 9.717 -4.768 485 HG3 GLN 59 2HG GLN 59 -9.840 10.156 -3.178 486 HE21 GLN 59 1HE2 GLN 59 -8.291 11.781 -6.679 487 HE22 GLN 59 2HE2 GLN 59 -9.440 10.470 -6.599 488 H PHE 60 H PHE 60 -7.402 6.912 -2.076 489 HA PHE 60 HA PHE 60 -5.884 5.130 -3.656 490 HB2 PHE 60 2HB PHE 60 -5.019 6.255 -1.643 491 HB3 PHE 60 3HB PHE 60 -6.106 5.311 -0.631 492 HD1 PHE 60 1HD PHE 60 -4.390 4.397 0.787 493 HD2 PHE 60 2HD PHE 60 -4.172 3.791 -3.492 494 HE1 PHE 60 1HE PHE 60 -2.637 2.691 1.105 495 HE2 PHE 60 2HE PHE 60 -2.497 2.056 -3.163 496 HZ PHE 60 HZ PHE 60 -1.695 1.486 -0.864 497 H MET 61 H MET 61 -8.504 4.440 -1.304 498 HA MET 61 HA MET 61 -8.334 1.615 -1.519 499 HB2 MET 61 1HB MET 61 -9.581 2.924 0.251 500 HB3 MET 61 2HB MET 61 -10.830 3.264 -0.957 501 HG2 MET 61 1HG MET 61 -10.960 0.703 -1.293 502 HG3 MET 61 2HG MET 61 -9.930 0.564 0.121 503 HE1 MET 61 1HE MET 61 -13.100 2.958 -0.725 504 HE2 MET 61 2HE MET 61 -13.180 1.357 -1.505 505 HE3 MET 61 3HE MET 61 -14.326 1.774 -0.229 506 H TRP 62 H TRP 62 -10.365 4.028 -3.342 507 HA TRP 62 HA TRP 62 -11.677 2.116 -4.975 508 HB2 TRP 62 2HB TRP 62 -11.209 5.068 -5.172 509 HB3 TRP 62 3HB TRP 62 -11.752 4.197 -6.595 510 HD1 TRP 62 HD1 TRP 62 -12.873 4.011 -2.896 511 HE1 TRP 62 1HE TRP 62 -15.406 4.223 -2.779 512 HE3 TRP 62 3HE TRP 62 -13.865 4.541 -7.888 513 HZ2 TRP 62 2HZ TRP 62 -17.624 4.558 -4.622 514 HZ3 TRP 62 3HZ TRP 62 -16.189 4.848 -8.673 515 HH2 TRP 62 HH2 TRP 62 -18.069 4.902 -7.055 516 H ILE 63 H ILE 63 -8.595 3.881 -5.528 517 HA ILE 63 HA ILE 63 -8.072 2.927 -8.118 518 HB ILE 63 HB ILE 63 -6.187 3.726 -5.865 519 HG12 ILE 63 1HG1 ILE 63 -6.807 5.297 -8.384 520 HG13 ILE 63 2HG1 ILE 63 -7.868 5.434 -7.010 521 HG21 ILE 63 1HG2 ILE 63 -5.619 3.193 -8.817 522 HG22 ILE 63 2HG2 ILE 63 -4.525 4.053 -7.723 523 HG23 ILE 63 3HG2 ILE 63 -4.903 2.354 -7.418 524 HD11 ILE 63 1HD1 ILE 63 -6.302 7.255 -6.957 525 HD12 ILE 63 2HD1 ILE 63 -5.906 6.172 -5.614 526 HD13 ILE 63 3HD1 ILE 63 -4.913 6.164 -7.090 527 H ILE 64 H ILE 64 -7.058 1.498 -4.928 528 HA ILE 64 HA ILE 64 -5.772 -0.767 -5.983 529 HB ILE 64 HB ILE 64 -7.226 -0.233 -3.378 530 HG12 ILE 64 1HG1 ILE 64 -4.296 -0.876 -3.846 531 HG13 ILE 64 2HG1 ILE 64 -4.924 0.763 -3.975 532 HG21 ILE 64 1HG2 ILE 64 -6.254 -2.440 -2.507 533 HG22 ILE 64 2HG2 ILE 64 -7.561 -2.645 -3.661 534 HG23 ILE 64 3HG2 ILE 64 -5.883 -2.846 -4.181 535 HD11 ILE 64 1HD1 ILE 64 -5.580 0.818 -1.665 536 HD12 ILE 64 2HD1 ILE 64 -5.238 -0.913 -1.437 537 HD13 ILE 64 3HD1 ILE 64 -3.919 0.188 -1.743 538 H ARG 65 H ARG 65 -9.291 -0.508 -5.092 539 HA ARG 65 HA ARG 65 -9.763 -3.204 -5.944 540 HB2 ARG 65 1HB ARG 65 -12.153 -2.735 -5.824 541 HB3 ARG 65 2HB ARG 65 -11.263 -2.219 -4.389 542 HG2 ARG 65 1HG ARG 65 -11.354 0.068 -5.024 543 HG3 ARG 65 2HG ARG 65 -12.117 -0.290 -6.582 544 HD2 ARG 65 1HD ARG 65 -13.374 -0.871 -3.855 545 HD3 ARG 65 2HD ARG 65 -13.666 0.591 -4.809 546 HE ARG 65 HE ARG 65 -14.078 -1.608 -6.498 547 HH11 ARG 65 1HH1 ARG 65 -15.734 -0.295 -3.571 548 HH12 ARG 65 2HH1 ARG 65 -17.303 -0.645 -4.257 549 HH21 ARG 65 1HH2 ARG 65 -16.241 -2.036 -7.227 550 HH22 ARG 65 2HH2 ARG 65 -17.582 -1.517 -6.243 551 H LYS 66 H LYS 66 -9.714 -0.215 -7.832 552 HA LYS 66 HA LYS 66 -10.909 -1.445 -10.189 553 HB2 LYS 66 1HB LYS 66 -9.256 1.071 -9.729 554 HB3 LYS 66 2HB LYS 66 -9.827 0.579 -11.320 555 HG2 LYS 66 1HG LYS 66 -12.178 0.593 -10.499 556 HG3 LYS 66 2HG LYS 66 -11.637 1.174 -8.928 557 HD2 LYS 66 1HD LYS 66 -11.300 2.612 -11.584 558 HD3 LYS 66 2HD LYS 66 -12.519 2.994 -10.366 559 HE2 LYS 66 1HE LYS 66 -10.797 3.734 -8.794 560 HE3 LYS 66 2HE LYS 66 -9.525 3.127 -9.865 561 HZ1 LYS 66 1HZ LYS 66 -9.568 5.355 -10.245 562 HZ2 LYS 66 2HZ LYS 66 -11.205 5.493 -10.302 563 HZ3 LYS 66 3HZ LYS 66 -10.354 4.765 -11.532 564 H ARG 67 H ARG 67 -7.552 -0.774 -9.114 565 HA ARG 67 HA ARG 67 -6.136 -1.722 -11.300 566 HB2 ARG 67 1HB ARG 67 -5.600 -1.423 -8.338 567 HB3 ARG 67 2HB ARG 67 -4.431 -2.317 -9.264 568 HG2 ARG 67 1HG ARG 67 -5.276 0.339 -10.398 569 HG3 ARG 67 2HG ARG 67 -4.326 0.364 -8.922 570 HD2 ARG 67 1HD ARG 67 -2.940 0.526 -11.011 571 HD3 ARG 67 2HD ARG 67 -2.486 -0.757 -9.907 572 HE ARG 67 HE ARG 67 -3.351 -2.405 -11.327 573 HH11 ARG 67 1HH1 ARG 67 -3.134 0.779 -12.995 574 HH12 ARG 67 2HH1 ARG 67 -3.551 0.076 -14.522 575 HH21 ARG 67 1HH2 ARG 67 -3.832 -3.228 -13.349 576 HH22 ARG 67 2HH2 ARG 67 -4.012 -2.161 -14.723 577 H ILE 68 H ILE 68 -7.086 -3.642 -8.396 578 HA ILE 68 HA ILE 68 -6.065 -6.072 -9.634 579 HB ILE 68 HB ILE 68 -6.780 -7.187 -7.643 580 HG12 ILE 68 1HG1 ILE 68 -8.406 -4.684 -7.101 581 HG13 ILE 68 2HG1 ILE 68 -8.948 -6.353 -7.176 582 HG21 ILE 68 1HG2 ILE 68 -4.726 -5.658 -7.710 583 HG22 ILE 68 2HG2 ILE 68 -5.671 -4.503 -6.752 584 HG23 ILE 68 3HG2 ILE 68 -5.335 -6.140 -6.132 585 HD11 ILE 68 1HD1 ILE 68 -7.236 -5.138 -4.961 586 HD12 ILE 68 2HD1 ILE 68 -8.941 -5.556 -4.878 587 HD13 ILE 68 3HD1 ILE 68 -7.731 -6.847 -5.063 588 H GLN 69 H GLN 69 -8.845 -4.319 -10.244 589 HA GLN 69 HA GLN 69 -10.823 -4.677 -11.199 590 HB2 GLN 69 1HB GLN 69 -9.503 -7.176 -12.288 591 HB3 GLN 69 2HB GLN 69 -10.972 -6.430 -12.910 592 HG2 GLN 69 1HG GLN 69 -9.776 -4.507 -13.697 593 HG3 GLN 69 2HG GLN 69 -8.328 -4.920 -12.785 594 HE21 GLN 69 1HE2 GLN 69 -7.061 -6.293 -15.783 595 HE22 GLN 69 2HE2 GLN 69 -6.994 -4.967 -14.629 596 H LEU 70 H LEU 70 -11.220 -4.939 -8.796 597 HA LEU 70 HA LEU 70 -11.792 -7.493 -7.727 598 HB2 LEU 70 1HB LEU 70 -11.368 -5.255 -6.517 599 HB3 LEU 70 2HB LEU 70 -13.057 -4.878 -6.806 600 HG LEU 70 HG LEU 70 -12.767 -5.721 -4.558 601 HD11 LEU 70 1HD1 LEU 70 -14.312 -7.416 -4.343 602 HD12 LEU 70 2HD1 LEU 70 -14.087 -7.993 -5.987 603 HD13 LEU 70 3HD1 LEU 70 -14.840 -6.406 -5.692 604 HD21 LEU 70 1HD2 LEU 70 -11.862 -7.908 -4.021 605 HD22 LEU 70 2HD2 LEU 70 -10.669 -6.969 -4.910 606 HD23 LEU 70 3HD2 LEU 70 -11.559 -8.249 -5.734 607 HA PRO 71 HA PRO 71 -15.590 -7.929 -10.223 608 HB2 PRO 71 2HB PRO 71 -16.312 -10.398 -9.329 609 HB3 PRO 71 3HB PRO 71 -15.006 -10.138 -10.532 610 HG2 PRO 71 2HG PRO 71 -14.813 -10.566 -7.533 611 HG3 PRO 71 3HG PRO 71 -13.854 -11.371 -8.825 612 HD2 PRO 71 2HD PRO 71 -12.895 -9.242 -7.443 613 HD3 PRO 71 3HD PRO 71 -12.579 -9.422 -9.184 614 H SER 72 H SER 72 -17.984 -8.272 -9.797 615 HA SER 72 HA SER 72 -18.787 -6.849 -7.435 616 HB2 SER 72 1HB SER 72 -21.063 -7.286 -8.166 617 HB3 SER 72 2HB SER 72 -20.056 -6.672 -9.460 618 HG SER 72 HG SER 72 -19.843 -9.134 -9.952 619 H GLU 73 H GLU 73 -18.605 -10.241 -8.217 620 HA GLU 73 HA GLU 73 -20.161 -11.329 -6.190 621 HB2 GLU 73 1HB GLU 73 -18.688 -13.379 -6.584 622 HB3 GLU 73 2HB GLU 73 -19.693 -12.774 -7.883 623 HG2 GLU 73 1HG GLU 73 -16.843 -11.922 -7.848 624 HG3 GLU 73 2HG GLU 73 -17.249 -13.562 -8.320 625 H LYS 74 H LYS 74 -16.828 -10.162 -6.018 626 HA LYS 74 HA LYS 74 -16.682 -11.075 -3.196 627 HB2 LYS 74 1HB LYS 74 -14.325 -10.172 -4.866 628 HB3 LYS 74 2HB LYS 74 -14.305 -10.995 -3.323 629 HG2 LYS 74 1HG LYS 74 -15.233 -12.191 -5.976 630 HG3 LYS 74 2HG LYS 74 -13.719 -12.520 -5.213 631 HD2 LYS 74 1HD LYS 74 -16.452 -13.363 -4.207 632 HD3 LYS 74 2HD LYS 74 -15.242 -14.348 -4.976 633 HE2 LYS 74 1HE LYS 74 -14.978 -14.962 -2.798 634 HE3 LYS 74 2HE LYS 74 -13.681 -13.780 -2.981 635 HZ1 LYS 74 1HZ LYS 74 -15.147 -13.629 -0.919 636 HZ2 LYS 74 2HZ LYS 74 -16.361 -13.158 -1.853 637 HZ3 LYS 74 3HZ LYS 74 -15.014 -12.216 -1.711 638 H ALA 75 H ALA 75 -15.423 -9.567 -1.744 639 HA ALA 75 HA ALA 75 -16.353 -6.760 -2.048 640 HB1 ALA 75 1HB ALA 75 -15.722 -8.374 0.469 641 HB2 ALA 75 2HB ALA 75 -16.398 -6.727 0.406 642 HB3 ALA 75 3HB ALA 75 -17.356 -8.103 -0.157 643 H ILE 76 H ILE 76 -14.765 -5.364 -0.420 644 HA ILE 76 HA ILE 76 -12.013 -6.258 -0.492 645 HB ILE 76 HB ILE 76 -12.177 -5.122 -2.634 646 HG12 ILE 76 1HG1 ILE 76 -10.628 -3.165 -2.126 647 HG13 ILE 76 2HG1 ILE 76 -10.690 -3.592 -0.440 648 HG21 ILE 76 1HG2 ILE 76 -14.203 -3.685 -2.108 649 HG22 ILE 76 2HG2 ILE 76 -13.088 -2.577 -1.270 650 HG23 ILE 76 3HG2 ILE 76 -12.900 -2.909 -2.997 651 HD11 ILE 76 1HD1 ILE 76 -9.793 -5.839 -0.989 652 HD12 ILE 76 2HD1 ILE 76 -9.725 -5.343 -2.705 653 HD13 ILE 76 3HD1 ILE 76 -8.718 -4.523 -1.502 654 H PHE 77 H PHE 77 -10.949 -5.491 1.255 655 HA PHE 77 HA PHE 77 -12.028 -3.243 2.859 656 HB2 PHE 77 2HB PHE 77 -11.439 -5.998 4.045 657 HB3 PHE 77 3HB PHE 77 -11.912 -4.562 4.937 658 HD1 PHE 77 1HD PHE 77 -13.069 -7.421 2.982 659 HD2 PHE 77 2HD PHE 77 -14.276 -3.666 4.723 660 HE1 PHE 77 1HE PHE 77 -15.441 -8.102 2.809 661 HE2 PHE 77 2HE PHE 77 -16.656 -4.355 4.546 662 HZ PHE 77 HZ PHE 77 -17.248 -6.568 3.581 663 H LEU 78 H LEU 78 -10.293 -2.083 3.788 664 HA LEU 78 HA LEU 78 -7.550 -3.206 3.417 665 HB2 LEU 78 1HB LEU 78 -8.459 -0.298 3.561 666 HB3 LEU 78 2HB LEU 78 -6.786 -0.843 3.518 667 HG LEU 78 HG LEU 78 -8.851 -1.167 1.356 668 HD11 LEU 78 1HD1 LEU 78 -7.344 0.324 0.050 669 HD12 LEU 78 2HD1 LEU 78 -6.231 0.415 1.431 670 HD13 LEU 78 3HD1 LEU 78 -7.860 1.110 1.549 671 HD21 LEU 78 1HD2 LEU 78 -7.510 -3.114 1.220 672 HD22 LEU 78 2HD2 LEU 78 -5.997 -2.185 1.392 673 HD23 LEU 78 3HD2 LEU 78 -6.991 -2.049 -0.076 674 H PHE 79 H PHE 79 -6.138 -2.965 4.992 675 HA PHE 79 HA PHE 79 -7.003 -2.089 7.727 676 HB2 PHE 79 2HB PHE 79 -5.452 -4.639 7.143 677 HB3 PHE 79 3HB PHE 79 -6.025 -4.082 8.701 678 HD1 PHE 79 1HD PHE 79 -7.108 -5.426 5.375 679 HD2 PHE 79 2HD PHE 79 -8.213 -4.736 9.480 680 HE1 PHE 79 1HE PHE 79 -9.157 -6.776 5.056 681 HE2 PHE 79 2HE PHE 79 -10.249 -6.114 9.168 682 HZ PHE 79 HZ PHE 79 -10.726 -7.137 6.949 683 H VAL 80 H VAL 80 -5.508 -0.615 8.524 684 HA VAL 80 HA VAL 80 -2.659 -0.947 7.847 685 HB VAL 80 HB VAL 80 -4.139 0.639 6.329 686 HG11 VAL 80 1HG1 VAL 80 -4.121 2.974 6.953 687 HG12 VAL 80 2HG1 VAL 80 -5.093 2.014 8.103 688 HG13 VAL 80 3HG1 VAL 80 -3.486 2.572 8.547 689 HG21 VAL 80 1HG2 VAL 80 -1.671 0.275 6.177 690 HG22 VAL 80 2HG2 VAL 80 -2.161 1.937 5.782 691 HG23 VAL 80 3HG2 VAL 80 -1.448 1.568 7.357 692 H ASP 81 H ASP 81 -1.318 -0.109 9.597 693 HA ASP 81 HA ASP 81 -0.930 0.124 11.885 694 HB2 ASP 81 1HB ASP 81 -1.164 2.438 11.082 695 HB3 ASP 81 2HB ASP 81 -2.899 2.394 11.334 696 H LYS 82 H LYS 82 -2.798 -1.885 11.337 697 HA LYS 82 HA LYS 82 -4.284 -3.265 12.377 698 HB2 LYS 82 1HB LYS 82 -2.312 -2.498 14.074 699 HB3 LYS 82 2HB LYS 82 -3.670 -2.001 15.050 700 HG2 LYS 82 1HG LYS 82 -4.409 -4.188 15.377 701 HG3 LYS 82 2HG LYS 82 -3.647 -4.795 13.882 702 HD2 LYS 82 1HD LYS 82 -1.415 -4.453 14.814 703 HD3 LYS 82 2HD LYS 82 -2.105 -3.783 16.310 704 HE2 LYS 82 1HE LYS 82 -3.265 -5.899 16.780 705 HE3 LYS 82 2HE LYS 82 -2.713 -6.581 15.242 706 HZ1 LYS 82 1HZ LYS 82 -0.934 -5.806 17.471 707 HZ2 LYS 82 2HZ LYS 82 -0.474 -6.513 16.034 708 HZ3 LYS 82 3HZ LYS 82 -1.386 -7.330 17.110 709 H THR 83 H THR 83 -5.345 -0.676 11.380 710 HA THR 83 HA THR 83 -7.882 -0.739 12.783 711 HB THR 83 HB THR 83 -6.420 0.817 14.058 712 HG1 THR 83 1HG THR 83 -7.949 2.199 14.356 713 HG21 THR 83 1HG2 THR 83 -5.065 1.776 12.225 714 HG22 THR 83 2HG2 THR 83 -5.850 3.002 13.212 715 HG23 THR 83 3HG2 THR 83 -6.502 2.612 11.602 716 H VAL 84 H VAL 84 -9.423 0.786 11.607 717 HA VAL 84 HA VAL 84 -9.087 0.252 8.713 718 HB VAL 84 HB VAL 84 -11.073 -0.648 9.721 719 HG11 VAL 84 1HG1 VAL 84 -12.020 2.145 10.397 720 HG12 VAL 84 2HG1 VAL 84 -12.920 0.637 10.576 721 HG13 VAL 84 3HG1 VAL 84 -11.493 0.931 11.581 722 HG21 VAL 84 1HG2 VAL 84 -11.582 1.656 7.828 723 HG22 VAL 84 2HG2 VAL 84 -11.107 -0.001 7.406 724 HG23 VAL 84 3HG2 VAL 84 -12.701 0.304 8.125 725 HA PRO 85 HA PRO 85 -7.790 4.594 8.923 726 HB2 PRO 85 2HB PRO 85 -7.089 5.027 6.318 727 HB3 PRO 85 3HB PRO 85 -6.090 4.089 7.456 728 HG2 PRO 85 2HG PRO 85 -8.065 3.049 5.392 729 HG3 PRO 85 3HG PRO 85 -6.403 2.461 5.715 730 HD2 PRO 85 2HD PRO 85 -8.648 1.249 6.750 731 HD3 PRO 85 3HD PRO 85 -7.102 1.316 7.653 732 H GLN 86 H GLN 86 -8.862 6.496 8.631 733 HA GLN 86 HA GLN 86 -11.581 6.395 7.670 734 HB2 GLN 86 1HB GLN 86 -11.102 7.763 9.555 735 HB3 GLN 86 2HB GLN 86 -9.778 8.611 8.730 736 HG2 GLN 86 1HG GLN 86 -11.207 9.867 7.390 737 HG3 GLN 86 2HG GLN 86 -12.568 8.773 7.602 738 HE21 GLN 86 1HE2 GLN 86 -11.919 11.838 10.249 739 HE22 GLN 86 2HE2 GLN 86 -10.910 11.541 8.852 740 H SER 87 H SER 87 -12.297 6.766 5.631 741 HA SER 87 HA SER 87 -10.803 7.008 3.331 742 HB2 SER 87 1HB SER 87 -13.096 7.680 2.410 743 HB3 SER 87 2HB SER 87 -13.083 6.210 3.401 744 HG SER 87 HG SER 87 -14.782 7.560 4.064 745 H SER 88 H SER 88 -12.163 9.537 5.381 746 HA SER 88 HA SER 88 -11.802 11.738 3.634 747 HB2 SER 88 1HB SER 88 -13.296 11.344 5.773 748 HB3 SER 88 2HB SER 88 -11.874 11.913 6.661 749 HG SER 88 HG SER 88 -13.668 13.226 5.030 750 H LEU 89 H LEU 89 -9.424 9.928 5.451 751 HA LEU 89 HA LEU 89 -7.707 12.130 6.120 752 HB2 LEU 89 1HB LEU 89 -7.907 9.837 7.247 753 HB3 LEU 89 2HB LEU 89 -7.137 9.155 5.822 754 HG LEU 89 HG LEU 89 -5.073 10.385 6.230 755 HD11 LEU 89 1HD1 LEU 89 -4.730 11.560 8.409 756 HD12 LEU 89 2HD1 LEU 89 -6.464 11.468 8.702 757 HD13 LEU 89 3HD1 LEU 89 -5.844 12.429 7.338 758 HD21 LEU 89 1HD2 LEU 89 -5.487 8.155 7.329 759 HD22 LEU 89 2HD2 LEU 89 -6.055 8.995 8.769 760 HD23 LEU 89 3HD2 LEU 89 -4.370 9.172 8.248 761 H THR 90 H THR 90 -5.772 12.735 5.059 762 HA THR 90 HA THR 90 -5.837 12.219 2.169 763 HB THR 90 HB THR 90 -4.351 14.421 3.617 764 HG1 THR 90 1HG THR 90 -6.189 15.659 3.311 765 HG21 THR 90 1HG2 THR 90 -4.692 15.542 1.421 766 HG22 THR 90 2HG2 THR 90 -5.529 14.092 0.818 767 HG23 THR 90 3HG2 THR 90 -3.799 14.020 1.220 768 H MET 91 H MET 91 -3.886 11.586 1.042 769 HA MET 91 HA MET 91 -2.480 9.591 2.344 770 HB2 MET 91 1HB MET 91 -2.045 11.119 -0.236 771 HB3 MET 91 2HB MET 91 -0.768 10.038 0.311 772 HG2 MET 91 1HG MET 91 -3.645 9.240 -0.247 773 HG3 MET 91 2HG MET 91 -2.237 8.912 -1.246 774 HE1 MET 91 1HE MET 91 -4.653 7.179 0.648 775 HE2 MET 91 2HE MET 91 -3.877 6.319 1.999 776 HE3 MET 91 3HE MET 91 -4.101 8.082 2.077 777 H GLY 92 H GLY 92 -1.434 12.981 1.731 778 HA2 GLY 92 1HA GLY 92 1.176 12.823 2.720 779 HA3 GLY 92 2HA GLY 92 0.149 14.270 2.782 780 H GLN 93 H GLN 93 -1.870 13.464 4.495 781 HA GLN 93 HA GLN 93 -0.671 13.798 7.073 782 HB2 GLN 93 1HB GLN 93 -3.482 13.382 6.025 783 HB3 GLN 93 2HB GLN 93 -3.148 12.877 7.665 784 HG2 GLN 93 1HG GLN 93 -2.061 15.318 7.835 785 HG3 GLN 93 2HG GLN 93 -3.274 15.635 6.591 786 HE21 GLN 93 1HE2 GLN 93 -4.288 15.170 10.529 787 HE22 GLN 93 2HE2 GLN 93 -2.652 14.875 9.940 788 H LEU 94 H LEU 94 -2.335 10.987 5.549 789 HA LEU 94 HA LEU 94 -2.057 9.195 7.676 790 HB2 LEU 94 1HB LEU 94 -3.485 8.864 5.740 791 HB3 LEU 94 2HB LEU 94 -2.122 8.595 4.692 792 HG LEU 94 HG LEU 94 -2.651 6.914 7.203 793 HD11 LEU 94 1HD1 LEU 94 -3.840 5.282 5.846 794 HD12 LEU 94 2HD1 LEU 94 -3.658 6.305 4.397 795 HD13 LEU 94 3HD1 LEU 94 -4.662 6.832 5.771 796 HD21 LEU 94 1HD2 LEU 94 -0.432 6.420 6.235 797 HD22 LEU 94 2HD2 LEU 94 -1.152 6.260 4.617 798 HD23 LEU 94 3HD2 LEU 94 -1.508 5.097 5.929 799 H TYR 95 H TYR 95 0.214 9.700 4.986 800 HA TYR 95 HA TYR 95 2.119 7.764 5.819 801 HB2 TYR 95 2HB TYR 95 2.144 8.651 3.563 802 HB3 TYR 95 3HB TYR 95 2.368 10.300 4.149 803 HD1 TYR 95 1HD TYR 95 4.148 7.037 4.907 804 HD2 TYR 95 2HD TYR 95 4.454 11.094 3.468 805 HE1 TYR 95 1HE TYR 95 6.611 6.795 4.722 806 HE2 TYR 95 2HE TYR 95 6.911 10.887 3.356 807 HH TYR 95 HH TYR 95 8.794 9.431 3.685 808 H GLU 96 H GLU 96 1.976 11.390 6.416 809 HA GLU 96 HA GLU 96 4.354 11.275 8.011 810 HB2 GLU 96 1HB GLU 96 3.391 13.287 6.790 811 HB3 GLU 96 2HB GLU 96 2.269 13.481 8.143 812 HG2 GLU 96 1HG GLU 96 4.091 13.860 9.687 813 HG3 GLU 96 2HG GLU 96 5.285 13.245 8.538 814 H LYS 97 H LYS 97 1.013 10.546 8.841 815 HA LYS 97 HA LYS 97 1.678 10.773 11.705 816 HB2 LYS 97 1HB LYS 97 -0.556 10.564 12.285 817 HB3 LYS 97 2HB LYS 97 -0.481 11.659 10.920 818 HG2 LYS 97 1HG LYS 97 -2.265 10.407 10.208 819 HG3 LYS 97 2HG LYS 97 -0.968 9.440 9.557 820 HD2 LYS 97 1HD LYS 97 -2.461 7.939 10.481 821 HD3 LYS 97 2HD LYS 97 -1.151 8.023 11.685 822 HE2 LYS 97 1HE LYS 97 -2.539 9.359 13.142 823 HE3 LYS 97 2HE LYS 97 -3.784 9.533 11.881 824 HZ1 LYS 97 1HZ LYS 97 -2.960 6.955 13.080 825 HZ2 LYS 97 2HZ LYS 97 -4.128 7.134 11.972 826 HZ3 LYS 97 3HZ LYS 97 -4.332 7.749 13.483 827 H GLU 98 H GLU 98 1.064 8.192 9.257 828 HA GLU 98 HA GLU 98 1.397 6.182 11.418 829 HB2 GLU 98 1HB GLU 98 0.942 5.761 8.438 830 HB3 GLU 98 2HB GLU 98 0.849 4.561 9.733 831 HG2 GLU 98 1HG GLU 98 -1.020 6.068 10.732 832 HG3 GLU 98 2HG GLU 98 -1.053 6.841 9.165 833 H LYS 99 H LYS 99 3.544 7.867 9.450 834 HA LYS 99 HA LYS 99 5.187 6.258 8.265 835 HB2 LYS 99 1HB LYS 99 5.444 8.861 9.194 836 HB3 LYS 99 2HB LYS 99 6.785 8.052 10.004 837 HG2 LYS 99 1HG LYS 99 7.212 6.931 7.673 838 HG3 LYS 99 2HG LYS 99 6.174 8.208 7.033 839 HD2 LYS 99 1HD LYS 99 8.676 8.687 8.695 840 HD3 LYS 99 2HD LYS 99 8.660 8.642 6.920 841 HE2 LYS 99 1HE LYS 99 7.094 10.514 6.829 842 HE3 LYS 99 2HE LYS 99 7.011 10.564 8.604 843 HZ1 LYS 99 1HZ LYS 99 9.261 11.142 8.713 844 HZ2 LYS 99 2HZ LYS 99 8.587 12.151 7.591 845 HZ3 LYS 99 3HZ LYS 99 9.526 10.897 7.095 846 H ASP 100 H ASP 100 6.375 4.562 8.431 847 HA ASP 100 HA ASP 100 6.942 3.262 10.970 848 HB2 ASP 100 1HB ASP 100 6.420 1.972 8.907 849 HB3 ASP 100 2HB ASP 100 7.805 2.726 8.093 850 H GLU 101 H GLU 101 9.281 2.622 11.433 851 HA GLU 101 HA GLU 101 10.995 4.793 11.792 852 HB2 GLU 101 1HB GLU 101 12.739 3.023 12.138 853 HB3 GLU 101 2HB GLU 101 11.270 2.815 13.105 854 HG2 GLU 101 1HG GLU 101 10.509 0.997 11.671 855 HG3 GLU 101 2HG GLU 101 11.825 1.286 10.521 856 H ASP 102 H ASP 102 10.794 2.546 9.031 857 HA ASP 102 HA ASP 102 13.131 3.817 7.766 858 HB2 ASP 102 1HB ASP 102 12.448 1.265 7.982 859 HB3 ASP 102 2HB ASP 102 11.616 1.592 6.463 860 H GLY 103 H GLY 103 10.220 4.980 7.989 861 HA2 GLY 103 1HA GLY 103 8.976 6.418 6.711 862 HA3 GLY 103 2HA GLY 103 10.341 6.567 5.624 863 H PHE 104 H PHE 104 8.606 3.487 6.231 864 HA PHE 104 HA PHE 104 7.603 3.608 3.432 865 HB2 PHE 104 2HB PHE 104 8.419 1.593 2.952 866 HB3 PHE 104 3HB PHE 104 9.586 1.976 4.187 867 HD1 PHE 104 1HD PHE 104 7.189 -0.438 3.085 868 HD2 PHE 104 2HD PHE 104 9.088 1.133 6.620 869 HE1 PHE 104 1HE PHE 104 6.485 -2.407 4.320 870 HE2 PHE 104 2HE PHE 104 8.389 -0.896 7.871 871 HZ PHE 104 HZ PHE 104 7.059 -2.655 6.757 872 H LEU 105 H LEU 105 5.498 2.526 3.098 873 HA LEU 105 HA LEU 105 3.944 2.255 5.650 874 HB2 LEU 105 1HB LEU 105 3.484 4.363 4.305 875 HB3 LEU 105 2HB LEU 105 2.919 3.300 3.006 876 HG LEU 105 HG LEU 105 1.327 2.335 4.889 877 HD11 LEU 105 1HD1 LEU 105 2.386 3.546 6.781 878 HD12 LEU 105 2HD1 LEU 105 0.683 3.938 6.602 879 HD13 LEU 105 3HD1 LEU 105 1.912 5.091 6.044 880 HD21 LEU 105 1HD2 LEU 105 -0.378 3.932 4.289 881 HD22 LEU 105 2HD2 LEU 105 0.587 3.543 2.874 882 HD23 LEU 105 3HD2 LEU 105 0.853 5.089 3.711 883 H TYR 106 H TYR 106 2.799 0.360 5.829 884 HA TYR 106 HA TYR 106 2.694 -1.478 3.495 885 HB2 TYR 106 2HB TYR 106 3.061 -3.294 5.096 886 HB3 TYR 106 3HB TYR 106 4.418 -2.205 4.991 887 HD1 TYR 106 1HD TYR 106 4.888 -0.540 6.926 888 HD2 TYR 106 2HD TYR 106 1.906 -3.644 7.151 889 HE1 TYR 106 1HE TYR 106 4.854 -0.328 9.376 890 HE2 TYR 106 2HE TYR 106 1.962 -3.534 9.625 891 HH TYR 106 HH TYR 106 3.737 -1.009 11.387 892 H VAL 107 H VAL 107 0.610 -2.016 2.966 893 HA VAL 107 HA VAL 107 -1.436 -1.898 5.142 894 HB VAL 107 HB VAL 107 -1.577 0.141 3.885 895 HG11 VAL 107 1HG1 VAL 107 -1.854 -1.515 1.376 896 HG12 VAL 107 2HG1 VAL 107 -2.240 0.212 1.497 897 HG13 VAL 107 3HG1 VAL 107 -0.591 -0.338 1.783 898 HG21 VAL 107 1HG2 VAL 107 -3.909 -1.643 3.100 899 HG22 VAL 107 2HG2 VAL 107 -3.679 -0.851 4.669 900 HG23 VAL 107 3HG2 VAL 107 -3.900 0.127 3.221 901 H ALA 108 H ALA 108 -3.019 -3.487 5.076 902 HA ALA 108 HA ALA 108 -2.484 -5.739 3.187 903 HB1 ALA 108 1HB ALA 108 -1.968 -6.298 5.514 904 HB2 ALA 108 2HB ALA 108 -3.583 -5.728 6.006 905 HB3 ALA 108 3HB ALA 108 -3.423 -7.168 4.979 906 H TYR 109 H TYR 109 -4.378 -6.910 2.453 907 HA TYR 109 HA TYR 109 -6.962 -5.548 2.817 908 HB2 TYR 109 2HB TYR 109 -7.453 -5.360 0.526 909 HB3 TYR 109 3HB TYR 109 -5.884 -4.623 0.747 910 HD1 TYR 109 1HD TYR 109 -7.655 -7.594 -0.646 911 HD2 TYR 109 2HD TYR 109 -3.926 -5.467 -0.366 912 HE1 TYR 109 1HE TYR 109 -6.818 -8.796 -2.676 913 HE2 TYR 109 2HE TYR 109 -3.095 -6.657 -2.357 914 HH TYR 109 HH TYR 109 -5.161 -8.911 -4.269 915 H SER 110 H SER 110 -8.812 -6.818 2.002 916 HA SER 110 HA SER 110 -8.299 -9.651 1.506 917 HB2 SER 110 1HB SER 110 -8.244 -9.525 4.006 918 HB3 SER 110 2HB SER 110 -9.859 -8.787 3.982 919 HG SER 110 HG SER 110 -9.073 -11.456 3.387 920 H GLY 111 H GLY 111 -10.227 -10.721 0.937 921 HA2 GLY 111 1HA GLY 111 -12.366 -9.001 -0.178 922 HA3 GLY 111 2HA GLY 111 -11.722 -10.424 -1.019 923 H GLU 112 H GLU 112 -12.155 -10.304 2.513 924 HA GLU 112 HA GLU 112 -14.547 -11.984 2.451 925 HB2 GLU 112 1HB GLU 112 -11.831 -12.524 3.712 926 HB3 GLU 112 2HB GLU 112 -13.289 -13.094 4.513 927 HG2 GLU 112 1HG GLU 112 -12.828 -13.710 1.593 928 HG3 GLU 112 2HG GLU 112 -12.039 -14.661 2.843 929 H ASN 113 H ASN 113 -15.833 -11.550 4.133 930 HA ASN 113 HA ASN 113 -15.441 -8.950 5.484 931 HB2 ASN 113 1HB ASN 113 -17.621 -9.464 4.534 932 HB3 ASN 113 2HB ASN 113 -17.738 -10.944 5.510 933 HD21 ASN 113 1HD2 ASN 113 -19.500 -9.037 7.893 934 HD22 ASN 113 2HD2 ASN 113 -19.411 -10.445 6.864 935 H THR 114 H THR 114 -15.901 -12.439 6.374 936 HA THR 114 HA THR 114 -15.109 -11.847 9.140 937 HB THR 114 HB THR 114 -15.670 -14.586 8.097 938 HG1 THR 114 1HG THR 114 -17.880 -14.255 8.308 939 HG21 THR 114 1HG2 THR 114 -15.040 -14.298 10.445 940 HG22 THR 114 2HG2 THR 114 -16.705 -14.866 10.322 941 HG23 THR 114 3HG2 THR 114 -16.378 -13.159 10.692 942 H PHE 115 H PHE 115 -13.188 -12.192 9.785 943 HA PHE 115 HA PHE 115 -11.204 -13.852 8.307 944 HB2 PHE 115 2HB PHE 115 -9.437 -12.215 8.951 945 HB3 PHE 115 3HB PHE 115 -10.598 -11.636 7.772 946 HD1 PHE 115 1HD PHE 115 -9.684 -11.454 11.400 947 HD2 PHE 115 2HD PHE 115 -11.950 -9.709 8.176 948 HE1 PHE 115 1HE PHE 115 -10.248 -9.539 12.834 949 HE2 PHE 115 2HE PHE 115 -12.526 -7.778 9.626 950 HZ PHE 115 HZ PHE 115 -11.691 -7.684 11.963 951 H GLY 116 H GLY 116 -13.062 -14.128 10.791 952 HA2 GLY 116 1HA GLY 116 -11.323 -14.425 13.074 953 HA3 GLY 116 2HA GLY 116 -13.010 -14.966 12.927 954 H1 GLY 330 H GLY 330 26.466 -7.815 6.148 955 HA2 GLY 330 1HA GLY 330 28.379 -6.238 5.637 956 HA3 GLY 330 2HA GLY 330 29.418 -7.607 6.076 957 H ALA 331 H ALA 331 27.595 -6.116 3.634 958 HA ALA 331 HA ALA 331 27.267 -6.388 1.475 959 HB1 ALA 331 1HB ALA 331 29.610 -7.070 1.280 960 HB2 ALA 331 2HB ALA 331 29.145 -8.776 1.536 961 HB3 ALA 331 3HB ALA 331 28.570 -7.902 0.109 962 H MET 332 H MET 332 25.109 -6.754 1.438 963 HA MET 332 HA MET 332 24.179 -9.588 1.422 964 HB2 MET 332 1HB MET 332 22.017 -8.826 2.292 965 HB3 MET 332 2HB MET 332 23.325 -8.731 3.440 966 HG2 MET 332 1HG MET 332 22.611 -6.254 1.888 967 HG3 MET 332 2HG MET 332 21.526 -6.794 3.157 968 HE1 MET 332 1HE MET 332 21.880 -6.583 5.678 969 HE2 MET 332 2HE MET 332 23.132 -7.843 5.578 970 HE3 MET 332 3HE MET 332 23.457 -6.336 6.459 971 H GLU 333 H GLU 333 25.154 -7.679 -0.716 972 HA GLU 333 HA GLU 333 22.909 -6.982 -2.359 973 HB2 GLU 333 1HB GLU 333 25.255 -5.919 -2.193 974 HB3 GLU 333 2HB GLU 333 25.811 -7.260 -3.202 975 HG2 GLU 333 1HG GLU 333 23.907 -6.564 -4.840 976 HG3 GLU 333 2HG GLU 333 23.720 -5.133 -3.828 977 H ILE 334 H ILE 334 22.260 -9.462 -1.837 978 HA ILE 334 HA ILE 334 23.316 -11.490 -3.604 979 HB ILE 334 HB ILE 334 21.418 -12.829 -2.841 980 HG12 ILE 334 1HG1 ILE 334 20.372 -11.564 -0.583 981 HG13 ILE 334 2HG1 ILE 334 20.357 -10.256 -1.750 982 HG21 ILE 334 1HG2 ILE 334 22.929 -11.467 -0.574 983 HG22 ILE 334 2HG2 ILE 334 22.212 -13.089 -0.554 984 HG23 ILE 334 3HG2 ILE 334 23.573 -12.745 -1.630 985 HD11 ILE 334 1HD1 ILE 334 19.053 -11.727 -3.321 986 HD12 ILE 334 2HD1 ILE 334 19.076 -13.000 -2.082 987 HD13 ILE 334 3HD1 ILE 334 18.237 -11.469 -1.768 988 H ILE 335 H ILE 335 22.914 -11.595 -5.777 989 HA ILE 335 HA ILE 335 20.921 -9.799 -6.922 990 HB ILE 335 HB ILE 335 21.679 -10.592 -9.071 991 HG12 ILE 335 1HG1 ILE 335 23.711 -11.957 -9.322 992 HG13 ILE 335 2HG1 ILE 335 23.635 -12.446 -7.634 993 HG21 ILE 335 1HG2 ILE 335 22.816 -8.762 -7.827 994 HG22 ILE 335 2HG2 ILE 335 24.045 -9.927 -7.291 995 HG23 ILE 335 3HG2 ILE 335 23.840 -9.582 -9.019 996 HD11 ILE 335 1HD1 ILE 335 21.355 -12.989 -9.577 997 HD12 ILE 335 2HD1 ILE 335 22.769 -14.044 -9.483 998 HD13 ILE 335 3HD1 ILE 335 21.752 -13.847 -8.064 999 H HIS 336 H HIS 336 20.849 -12.966 -5.697 1000 HA HIS 336 HA HIS 336 18.712 -13.993 -7.397 1001 HB2 HIS 336 1HB HIS 336 20.482 -15.386 -6.224 1002 HB3 HIS 336 2HB HIS 336 19.692 -15.025 -4.698 1003 HD1 HIS 336 HD1 HIS 336 16.968 -16.018 -4.618 1004 HD2 HIS 336 HD2 HIS 336 19.630 -17.403 -7.569 1005 HE1 HIS 336 HE1 HIS 336 15.997 -18.197 -5.499 1006 H GLU 337 H GLU 337 17.687 -11.761 -6.935 1007 HA GLU 337 HA GLU 337 16.377 -11.252 -4.416 1008 HB2 GLU 337 1HB GLU 337 15.977 -10.206 -7.250 1009 HB3 GLU 337 2HB GLU 337 15.056 -9.618 -5.864 1010 HG2 GLU 337 1HG GLU 337 17.068 -8.852 -4.737 1011 HG3 GLU 337 2HG GLU 337 18.107 -9.599 -5.949 1012 H ASP 338 H ASP 338 15.003 -12.672 -3.642 1013 HA ASP 338 HA ASP 338 13.658 -14.661 -5.240 1014 HB2 ASP 338 1HB ASP 338 14.122 -14.104 -2.377 1015 HB3 ASP 338 2HB ASP 338 12.537 -14.794 -2.718 1016 H ASN 339 H ASN 339 12.865 -11.481 -4.169 1017 HA ASN 339 HA ASN 339 10.022 -11.827 -5.056 1018 HB2 ASN 339 1HB ASN 339 11.196 -9.975 -2.955 1019 HB3 ASN 339 2HB ASN 339 9.610 -9.733 -3.710 1020 HD21 ASN 339 1HD2 ASN 339 9.395 -13.320 -1.812 1021 HD22 ASN 339 2HD2 ASN 339 10.202 -13.092 -3.325 1022 H GLU 340 H GLU 340 9.233 -10.033 -6.421 1023 HA GLU 340 HA GLU 340 11.478 -8.944 -7.966 1024 HB2 GLU 340 1HB GLU 340 9.456 -10.149 -8.851 1025 HB3 GLU 340 2HB GLU 340 8.536 -8.652 -8.620 1026 HG2 GLU 340 1HG GLU 340 10.062 -7.477 -10.151 1027 HG3 GLU 340 2HG GLU 340 11.165 -8.846 -10.166 1028 H TRP 341 H TRP 341 8.474 -7.439 -6.528 1029 HA TRP 341 HA TRP 341 8.081 -5.400 -5.728 1030 HB2 TRP 341 2HB TRP 341 10.995 -5.263 -4.999 1031 HB3 TRP 341 3HB TRP 341 9.688 -4.251 -4.399 1032 HD1 TRP 341 HD1 TRP 341 11.583 -7.225 -3.519 1033 HE1 TRP 341 1HE TRP 341 10.559 -8.470 -1.486 1034 HE3 TRP 341 3HE TRP 341 7.010 -4.990 -3.520 1035 HZ2 TRP 341 2HZ TRP 341 7.972 -8.556 -0.190 1036 HZ3 TRP 341 3HZ TRP 341 5.230 -5.748 -1.977 1037 HH2 TRP 341 HH2 TRP 341 5.708 -7.494 -0.283 1038 H GLY 342 H GLY 342 7.819 -5.259 -8.306 1039 HA2 GLY 342 1HA GLY 342 9.683 -3.428 -9.567 1040 HA3 GLY 342 2HA GLY 342 8.161 -4.028 -10.235 1041 H ILE 343 H ILE 343 9.276 -1.209 -10.029 1042 HA ILE 343 HA ILE 343 7.602 0.135 -8.054 1043 HB ILE 343 HB ILE 343 9.213 1.316 -10.362 1044 HG12 ILE 343 1HG1 ILE 343 9.937 0.787 -7.443 1045 HG13 ILE 343 2HG1 ILE 343 10.678 0.040 -8.862 1046 HG21 ILE 343 1HG2 ILE 343 7.493 2.891 -9.503 1047 HG22 ILE 343 2HG2 ILE 343 8.065 2.615 -7.842 1048 HG23 ILE 343 3HG2 ILE 343 9.075 3.436 -9.063 1049 HD11 ILE 343 1HD1 ILE 343 12.178 1.705 -8.017 1050 HD12 ILE 343 2HD1 ILE 343 11.534 2.281 -9.560 1051 HD13 ILE 343 3HD1 ILE 343 10.907 2.940 -8.026 1052 H GLU 344 H GLU 344 5.694 1.290 -8.317 1053 HA GLU 344 HA GLU 344 4.634 1.551 -11.008 1054 HB2 GLU 344 1HB GLU 344 3.586 -0.404 -9.100 1055 HB3 GLU 344 2HB GLU 344 2.373 0.833 -9.420 1056 HG2 GLU 344 1HG GLU 344 3.787 -0.925 -11.455 1057 HG3 GLU 344 2HG GLU 344 2.077 -0.955 -11.022 1058 H LEU 345 H LEU 345 3.873 3.526 -11.365 1059 HA LEU 345 HA LEU 345 3.642 5.386 -9.101 1060 HB2 LEU 345 1HB LEU 345 5.043 5.596 -11.454 1061 HB3 LEU 345 2HB LEU 345 3.483 6.146 -12.034 1062 HG LEU 345 HG LEU 345 3.502 7.710 -9.963 1063 HD11 LEU 345 1HD1 LEU 345 6.434 6.893 -10.139 1064 HD12 LEU 345 2HD1 LEU 345 5.364 6.750 -8.737 1065 HD13 LEU 345 3HD1 LEU 345 5.884 8.345 -9.300 1066 HD21 LEU 345 1HD2 LEU 345 4.878 9.424 -11.166 1067 HD22 LEU 345 2HD2 LEU 345 3.738 8.591 -12.225 1068 HD23 LEU 345 3HD2 LEU 345 5.461 8.146 -12.260 1069 H VAL 346 H VAL 346 1.539 5.379 -8.295 1070 HA VAL 346 HA VAL 346 -0.652 5.112 -10.285 1071 HB VAL 346 HB VAL 346 -0.950 4.151 -7.495 1072 HG11 VAL 346 1HG1 VAL 346 -2.010 2.983 -10.082 1073 HG12 VAL 346 2HG1 VAL 346 -2.503 2.596 -8.417 1074 HG13 VAL 346 3HG1 VAL 346 -2.861 4.207 -9.119 1075 HG21 VAL 346 1HG2 VAL 346 -0.281 1.803 -8.221 1076 HG22 VAL 346 2HG2 VAL 346 0.361 2.478 -9.733 1077 HG23 VAL 346 3HG2 VAL 346 1.097 2.882 -8.167 1078 H SER 347 H SER 347 -2.290 6.564 -10.244 1079 HA SER 347 HA SER 347 -3.034 8.046 -7.914 1080 HB2 SER 347 1HB SER 347 -2.636 10.289 -9.055 1081 HB3 SER 347 2HB SER 347 -1.204 9.478 -8.417 1082 HG SER 347 HG SER 347 -1.972 9.970 -11.052 1083 H GLU 348 H GLU 348 -5.010 9.229 -8.402 1084 HA GLU 348 HA GLU 348 -7.034 9.543 -9.185 1085 HB2 GLU 348 1HB GLU 348 -5.493 10.248 -11.297 1086 HB3 GLU 348 2HB GLU 348 -6.438 8.983 -12.054 1087 HG2 GLU 348 1HG GLU 348 -7.411 11.541 -10.781 1088 HG3 GLU 348 2HG GLU 348 -7.495 11.059 -12.474 Start of MODEL 10 1 H1 MET 1 H MET 1 3.389 -17.116 5.895 2 HA MET 1 HA MET 1 5.714 -16.308 7.509 3 HB2 MET 1 1HB MET 1 5.146 -15.788 4.557 4 HB3 MET 1 2HB MET 1 6.611 -15.351 5.433 5 HG2 MET 1 1HG MET 1 6.984 -17.763 5.939 6 HG3 MET 1 2HG MET 1 5.580 -18.163 4.951 7 HE1 MET 1 1HE MET 1 9.280 -17.225 5.136 8 HE2 MET 1 2HE MET 1 9.727 -16.842 3.464 9 HE3 MET 1 3HE MET 1 8.746 -15.696 4.396 10 H GLY 2 H GLY 2 6.202 -14.057 7.833 11 HA2 GLY 2 1HA GLY 2 3.801 -12.391 8.112 12 HA3 GLY 2 2HA GLY 2 5.437 -12.082 8.727 13 H TRP 3 H TRP 3 6.231 -10.248 7.775 14 HA TRP 3 HA TRP 3 5.336 -9.439 5.147 15 HB2 TRP 3 2HB TRP 3 7.459 -8.388 7.044 16 HB3 TRP 3 3HB TRP 3 7.162 -7.682 5.468 17 HD1 TRP 3 HD1 TRP 3 6.659 -6.527 8.608 18 HE1 TRP 3 1HE TRP 3 4.526 -5.253 9.030 19 HE3 TRP 3 3HE TRP 3 3.953 -8.093 4.517 20 HZ2 TRP 3 2HZ TRP 3 1.803 -5.224 7.940 21 HZ3 TRP 3 3HZ TRP 3 1.626 -7.531 4.287 22 HH2 TRP 3 HH2 TRP 3 0.485 -6.047 5.968 23 H MET 4 H MET 4 5.962 -10.401 3.364 24 HA MET 4 HA MET 4 8.165 -12.185 3.131 25 HB2 MET 4 1HB MET 4 6.767 -10.580 0.933 26 HB3 MET 4 2HB MET 4 7.844 -11.948 0.676 27 HG2 MET 4 1HG MET 4 5.121 -11.966 2.021 28 HG3 MET 4 2HG MET 4 5.561 -12.691 0.483 29 HE1 MET 4 1HE MET 4 8.466 -14.127 1.399 30 HE2 MET 4 2HE MET 4 7.778 -15.750 1.523 31 HE3 MET 4 3HE MET 4 7.256 -14.672 0.218 32 H PHE 5 H PHE 5 7.880 -8.715 2.170 33 HA PHE 5 HA PHE 5 10.481 -8.421 1.210 34 HB2 PHE 5 2HB PHE 5 10.226 -6.092 1.491 35 HB3 PHE 5 3HB PHE 5 8.679 -6.714 0.976 36 HD1 PHE 5 1HD PHE 5 10.568 -5.241 3.859 37 HD2 PHE 5 2HD PHE 5 6.698 -6.450 2.370 38 HE1 PHE 5 1HE PHE 5 9.494 -4.179 5.799 39 HE2 PHE 5 2HE PHE 5 5.623 -5.356 4.314 40 HZ PHE 5 HZ PHE 5 7.012 -4.259 6.065 41 H LYS 6 H LYS 6 9.318 -8.030 4.597 42 HA LYS 6 HA LYS 6 11.840 -7.207 5.544 43 HB2 LYS 6 1HB LYS 6 9.532 -6.979 6.705 44 HB3 LYS 6 2HB LYS 6 9.830 -8.613 7.326 45 HG2 LYS 6 1HG LYS 6 12.071 -7.734 8.190 46 HG3 LYS 6 2HG LYS 6 11.564 -6.125 7.670 47 HD2 LYS 6 1HD LYS 6 9.616 -6.315 9.269 48 HD3 LYS 6 2HD LYS 6 10.307 -7.868 9.820 49 HE2 LYS 6 1HE LYS 6 12.517 -6.567 10.168 50 HE3 LYS 6 2HE LYS 6 11.579 -5.093 9.928 51 HZ1 LYS 6 1HZ LYS 6 10.157 -5.944 11.815 52 HZ2 LYS 6 2HZ LYS 6 11.633 -5.414 12.192 53 HZ3 LYS 6 3HZ LYS 6 11.376 -7.043 12.126 54 H GLU 7 H GLU 7 10.537 -10.454 4.986 55 HA GLU 7 HA GLU 7 12.538 -11.821 6.569 56 HB2 GLU 7 1HB GLU 7 10.231 -12.646 5.385 57 HB3 GLU 7 2HB GLU 7 11.338 -13.069 4.101 58 HG2 GLU 7 1HG GLU 7 11.162 -15.001 5.437 59 HG3 GLU 7 2HG GLU 7 12.738 -14.321 5.840 60 H ASP 8 H ASP 8 12.237 -10.968 3.093 61 HA ASP 8 HA ASP 8 14.789 -11.986 2.434 62 HB2 ASP 8 1HB ASP 8 12.610 -10.911 0.909 63 HB3 ASP 8 2HB ASP 8 13.996 -9.905 0.564 64 H HIS 9 H HIS 9 13.938 -8.489 2.297 65 HA HIS 9 HA HIS 9 16.425 -7.638 3.557 66 HB2 HIS 9 1HB HIS 9 16.916 -6.219 1.431 67 HB3 HIS 9 2HB HIS 9 17.414 -7.902 1.461 68 HD1 HIS 9 HD1 HIS 9 13.980 -6.483 0.465 69 HD2 HIS 9 HD2 HIS 9 17.195 -8.746 -1.014 70 HE1 HIS 9 HE1 HIS 9 13.294 -7.296 -1.883 71 H SER 10 H SER 10 15.882 -5.829 4.717 72 HA SER 10 HA SER 10 13.513 -4.275 3.780 73 HB2 SER 10 1HB SER 10 13.259 -5.881 5.812 74 HB3 SER 10 2HB SER 10 14.096 -4.623 6.712 75 HG SER 10 HG SER 10 12.471 -3.313 6.489 76 H LEU 11 H LEU 11 16.065 -3.762 6.321 77 HA LEU 11 HA LEU 11 15.862 -1.044 6.161 78 HB2 LEU 11 1HB LEU 11 17.840 -0.847 7.401 79 HB3 LEU 11 2HB LEU 11 16.929 -2.231 7.933 80 HG LEU 11 HG LEU 11 18.748 -3.363 6.140 81 HD11 LEU 11 1HD1 LEU 11 19.967 -1.207 5.983 82 HD12 LEU 11 2HD1 LEU 11 20.942 -2.452 6.780 83 HD13 LEU 11 3HD1 LEU 11 20.161 -1.195 7.745 84 HD21 LEU 11 1HD2 LEU 11 19.047 -3.003 9.146 85 HD22 LEU 11 2HD2 LEU 11 19.873 -4.225 8.152 86 HD23 LEU 11 3HD2 LEU 11 18.109 -4.273 8.329 87 H GLU 12 H GLU 12 18.371 -2.828 4.293 88 HA GLU 12 HA GLU 12 19.242 -0.404 2.993 89 HB2 GLU 12 1HB GLU 12 19.564 -3.348 2.328 90 HB3 GLU 12 2HB GLU 12 20.157 -2.110 1.231 91 HG2 GLU 12 1HG GLU 12 21.016 -2.433 4.132 92 HG3 GLU 12 2HG GLU 12 21.942 -2.899 2.705 93 H HIS 13 H HIS 13 16.733 -2.735 2.186 94 HA HIS 13 HA HIS 13 16.258 -1.862 -0.492 95 HB2 HIS 13 1HB HIS 13 15.573 -4.038 0.685 96 HB3 HIS 13 2HB HIS 13 14.233 -3.144 1.380 97 HD1 HIS 13 HD1 HIS 13 15.338 -4.900 -1.723 98 HD2 HIS 13 HD2 HIS 13 12.443 -2.062 -0.583 99 HE1 HIS 13 HE1 HIS 13 13.548 -4.974 -3.513 100 H ARG 14 H ARG 14 14.560 -1.143 2.563 101 HA ARG 14 HA ARG 14 12.711 0.777 1.503 102 HB2 ARG 14 1HB ARG 14 13.771 0.083 4.271 103 HB3 ARG 14 2HB ARG 14 12.810 1.528 4.034 104 HG2 ARG 14 1HG ARG 14 11.629 -0.518 4.918 105 HG3 ARG 14 2HG ARG 14 10.827 0.372 3.618 106 HD2 ARG 14 1HD ARG 14 12.556 -1.991 2.974 107 HD3 ARG 14 2HD ARG 14 11.068 -2.284 3.872 108 HE ARG 14 HE ARG 14 10.237 -0.724 1.690 109 HH11 ARG 14 1HH1 ARG 14 11.823 -3.771 2.342 110 HH12 ARG 14 2HH1 ARG 14 11.138 -4.564 0.915 111 HH21 ARG 14 1HH2 ARG 14 9.149 -1.801 0.055 112 HH22 ARG 14 2HH2 ARG 14 9.636 -3.446 -0.395 113 H CYS 15 H CYS 15 15.873 1.154 3.265 114 HA CYS 15 HA CYS 15 15.841 3.919 3.314 115 HB2 CYS 15 2HB CYS 15 17.435 2.575 4.577 116 HB3 CYS 15 3HB CYS 15 18.231 2.035 3.087 117 HG CYS 15 HG CYS 15 17.833 5.239 3.873 118 H VAL 16 H VAL 16 17.585 1.931 0.849 119 HA VAL 16 HA VAL 16 18.317 4.103 -0.778 120 HB VAL 16 HB VAL 16 17.835 1.147 -1.363 121 HG11 VAL 16 1HG1 VAL 16 19.250 3.199 -3.092 122 HG12 VAL 16 2HG1 VAL 16 19.309 1.427 -3.326 123 HG13 VAL 16 3HG1 VAL 16 17.783 2.292 -3.516 124 HG21 VAL 16 1HG2 VAL 16 20.260 0.951 -1.141 125 HG22 VAL 16 2HG2 VAL 16 20.408 2.712 -0.966 126 HG23 VAL 16 3HG2 VAL 16 19.662 1.741 0.312 127 H GLU 17 H GLU 17 15.393 1.930 -1.094 128 HA GLU 17 HA GLU 17 14.647 3.342 -3.438 129 HB2 GLU 17 1HB GLU 17 13.878 0.957 -2.516 130 HB3 GLU 17 2HB GLU 17 12.530 1.921 -1.878 131 HG2 GLU 17 1HG GLU 17 11.770 1.375 -3.985 132 HG3 GLU 17 2HG GLU 17 12.493 2.937 -4.332 133 H SER 18 H SER 18 13.510 3.787 0.008 134 HA SER 18 HA SER 18 11.588 5.754 -0.576 135 HB2 SER 18 1HB SER 18 13.448 5.517 1.828 136 HB3 SER 18 2HB SER 18 12.079 6.637 1.711 137 HG SER 18 HG SER 18 11.632 4.693 2.809 138 H ALA 19 H ALA 19 15.156 6.117 -0.015 139 HA ALA 19 HA ALA 19 15.243 8.901 -0.156 140 HB1 ALA 19 1HB ALA 19 17.077 7.373 0.547 141 HB2 ALA 19 2HB ALA 19 17.295 6.840 -1.125 142 HB3 ALA 19 3HB ALA 19 17.640 8.516 -0.681 143 H LYS 20 H LYS 20 15.697 6.573 -2.832 144 HA LYS 20 HA LYS 20 15.981 8.564 -4.881 145 HB2 LYS 20 1HB LYS 20 15.119 5.648 -5.081 146 HB3 LYS 20 2HB LYS 20 15.623 6.670 -6.439 147 HG2 LYS 20 1HG LYS 20 17.885 6.889 -5.598 148 HG3 LYS 20 2HG LYS 20 17.459 6.167 -4.057 149 HD2 LYS 20 1HD LYS 20 18.518 4.416 -5.072 150 HD3 LYS 20 2HD LYS 20 16.824 4.040 -5.407 151 HE2 LYS 20 1HE LYS 20 17.186 5.256 -7.665 152 HE3 LYS 20 2HE LYS 20 18.913 5.272 -7.264 153 HZ1 LYS 20 1HZ LYS 20 18.492 3.335 -8.570 154 HZ2 LYS 20 2HZ LYS 20 17.191 2.904 -7.652 155 HZ3 LYS 20 3HZ LYS 20 18.703 2.796 -7.038 156 H ILE 21 H ILE 21 13.118 6.787 -3.645 157 HA ILE 21 HA ILE 21 11.280 7.769 -5.606 158 HB ILE 21 HB ILE 21 10.994 6.713 -2.783 159 HG12 ILE 21 1HG1 ILE 21 10.109 5.477 -5.432 160 HG13 ILE 21 2HG1 ILE 21 11.702 5.217 -4.792 161 HG21 ILE 21 1HG2 ILE 21 8.669 7.357 -4.638 162 HG22 ILE 21 2HG2 ILE 21 8.572 6.546 -3.050 163 HG23 ILE 21 3HG2 ILE 21 9.063 8.216 -3.135 164 HD11 ILE 21 1HD1 ILE 21 10.198 3.349 -4.231 165 HD12 ILE 21 2HD1 ILE 21 10.806 4.153 -2.763 166 HD13 ILE 21 3HD1 ILE 21 9.159 4.441 -3.319 167 H ARG 22 H ARG 22 12.292 9.049 -2.354 168 HA ARG 22 HA ARG 22 10.448 11.237 -2.389 169 HB2 ARG 22 1HB ARG 22 13.124 10.853 -0.969 170 HB3 ARG 22 2HB ARG 22 12.122 12.283 -0.779 171 HG2 ARG 22 1HG ARG 22 10.346 10.086 -0.394 172 HG3 ARG 22 2HG ARG 22 11.829 9.631 0.431 173 HD2 ARG 22 1HD ARG 22 10.301 10.730 1.959 174 HD3 ARG 22 2HD ARG 22 11.797 11.655 1.756 175 HE ARG 22 HE ARG 22 9.356 12.335 0.185 176 HH11 ARG 22 1HH1 ARG 22 11.202 13.183 3.059 177 HH12 ARG 22 2HH1 ARG 22 10.809 14.887 2.965 178 HH21 ARG 22 1HH2 ARG 22 8.882 14.527 0.026 179 HH22 ARG 22 2HH2 ARG 22 9.457 15.682 1.164 180 H ALA 23 H ALA 23 13.747 10.856 -3.735 181 HA ALA 23 HA ALA 23 13.983 13.637 -4.478 182 HB1 ALA 23 1HB ALA 23 15.374 11.183 -5.639 183 HB2 ALA 23 2HB ALA 23 15.883 12.879 -5.821 184 HB3 ALA 23 3HB ALA 23 15.942 12.111 -4.239 185 H LYS 24 H LYS 24 12.989 10.707 -6.320 186 HA LYS 24 HA LYS 24 12.530 12.177 -8.778 187 HB2 LYS 24 1HB LYS 24 11.934 9.363 -7.775 188 HB3 LYS 24 2HB LYS 24 11.117 9.984 -9.200 189 HG2 LYS 24 1HG LYS 24 12.973 8.744 -9.949 190 HG3 LYS 24 2HG LYS 24 13.159 10.444 -10.332 191 HD2 LYS 24 1HD LYS 24 14.673 10.502 -8.141 192 HD3 LYS 24 2HD LYS 24 14.687 8.750 -8.345 193 HE2 LYS 24 1HE LYS 24 16.605 9.591 -9.489 194 HE3 LYS 24 2HE LYS 24 15.444 9.153 -10.749 195 HZ1 LYS 24 1HZ LYS 24 15.781 11.900 -9.656 196 HZ2 LYS 24 2HZ LYS 24 14.887 11.501 -10.943 197 HZ3 LYS 24 3HZ LYS 24 16.545 11.379 -11.008 198 H TYR 25 H TYR 25 10.326 10.938 -6.226 199 HA TYR 25 HA TYR 25 8.164 12.663 -7.329 200 HB2 TYR 25 2HB TYR 25 7.741 9.947 -6.079 201 HB3 TYR 25 3HB TYR 25 6.639 10.899 -7.079 202 HD1 TYR 25 1HD TYR 25 8.994 8.216 -6.990 203 HD2 TYR 25 2HD TYR 25 7.480 11.311 -9.593 204 HE1 TYR 25 1HE TYR 25 9.867 6.993 -8.930 205 HE2 TYR 25 2HE TYR 25 8.440 10.147 -11.540 206 HH TYR 25 HH TYR 25 9.813 8.416 -12.244 207 HA PRO 26 HA PRO 26 9.098 13.624 -2.870 208 HB2 PRO 26 2HB PRO 26 8.829 16.356 -2.990 209 HB3 PRO 26 3HB PRO 26 10.335 15.487 -3.416 210 HG2 PRO 26 2HG PRO 26 8.162 16.476 -5.283 211 HG3 PRO 26 3HG PRO 26 9.941 16.667 -5.433 212 HD2 PRO 26 2HD PRO 26 8.558 14.708 -6.746 213 HD3 PRO 26 3HD PRO 26 10.222 14.428 -6.117 214 H ASP 27 H ASP 27 6.418 14.238 -5.030 215 HA ASP 27 HA ASP 27 4.582 14.909 -2.786 216 HB2 ASP 27 1HB ASP 27 4.209 14.820 -5.811 217 HB3 ASP 27 2HB ASP 27 2.954 15.273 -4.648 218 H ARG 28 H ARG 28 5.914 12.075 -3.734 219 HA ARG 28 HA ARG 28 3.317 10.635 -3.478 220 HB2 ARG 28 1HB ARG 28 5.639 9.817 -5.267 221 HB3 ARG 28 2HB ARG 28 4.257 8.794 -4.869 222 HG2 ARG 28 1HG ARG 28 2.711 10.455 -5.801 223 HG3 ARG 28 2HG ARG 28 4.060 11.493 -6.260 224 HD2 ARG 28 1HD ARG 28 4.687 10.040 -8.028 225 HD3 ARG 28 2HD ARG 28 3.834 8.666 -7.298 226 HE ARG 28 HE ARG 28 2.089 9.154 -8.609 227 HH11 ARG 28 1HH1 ARG 28 3.556 12.354 -7.925 228 HH12 ARG 28 2HH1 ARG 28 2.112 13.207 -8.328 229 HH21 ARG 28 1HH2 ARG 28 0.422 10.383 -9.689 230 HH22 ARG 28 2HH2 ARG 28 0.430 12.100 -9.542 231 H VAL 29 H VAL 29 3.365 8.624 -2.413 232 HA VAL 29 HA VAL 29 5.591 8.445 -0.486 233 HB VAL 29 HB VAL 29 4.100 8.123 1.266 234 HG11 VAL 29 1HG1 VAL 29 2.870 10.342 -0.403 235 HG12 VAL 29 2HG1 VAL 29 2.848 10.204 1.345 236 HG13 VAL 29 3HG1 VAL 29 4.387 10.489 0.508 237 HG21 VAL 29 1HG2 VAL 29 2.307 6.762 0.160 238 HG22 VAL 29 2HG2 VAL 29 1.685 8.087 1.140 239 HG23 VAL 29 3HG2 VAL 29 1.720 8.247 -0.623 240 HA PRO 30 HA PRO 30 5.880 4.259 -1.974 241 HB2 PRO 30 2HB PRO 30 7.701 3.251 -0.229 242 HB3 PRO 30 3HB PRO 30 8.126 4.535 -1.396 243 HG2 PRO 30 2HG PRO 30 7.447 4.851 1.531 244 HG3 PRO 30 3HG PRO 30 8.779 5.600 0.613 245 HD2 PRO 30 2HD PRO 30 6.360 6.847 1.106 246 HD3 PRO 30 3HD PRO 30 7.377 7.180 -0.323 247 H VAL 31 H VAL 31 4.163 2.920 -1.726 248 HA VAL 31 HA VAL 31 3.510 1.904 0.986 249 HB VAL 31 HB VAL 31 1.655 2.347 -1.359 250 HG11 VAL 31 1HG1 VAL 31 1.148 1.558 1.551 251 HG12 VAL 31 2HG1 VAL 31 -0.128 2.033 0.418 252 HG13 VAL 31 3HG1 VAL 31 0.825 0.587 0.100 253 HG21 VAL 31 1HG2 VAL 31 2.263 4.547 -0.575 254 HG22 VAL 31 2HG2 VAL 31 0.634 4.187 -0.018 255 HG23 VAL 31 3HG2 VAL 31 1.992 4.090 1.112 256 H ILE 32 H ILE 32 3.129 -0.283 1.155 257 HA ILE 32 HA ILE 32 3.548 -2.000 -1.250 258 HB ILE 32 HB ILE 32 4.653 -2.415 1.550 259 HG12 ILE 32 1HG1 ILE 32 6.047 -1.005 0.051 260 HG13 ILE 32 2HG1 ILE 32 6.829 -2.499 0.515 261 HG21 ILE 32 1HG2 ILE 32 5.521 -4.593 0.689 262 HG22 ILE 32 2HG2 ILE 32 3.749 -4.533 0.792 263 HG23 ILE 32 3HG2 ILE 32 4.540 -4.380 -0.781 264 HD11 ILE 32 1HD1 ILE 32 7.235 -1.855 -1.835 265 HD12 ILE 32 2HD1 ILE 32 6.466 -3.442 -1.700 266 HD13 ILE 32 3HD1 ILE 32 5.503 -2.025 -2.170 267 H VAL 33 H VAL 33 1.824 -3.305 -1.582 268 HA VAL 33 HA VAL 33 -0.334 -3.344 0.448 269 HB VAL 33 HB VAL 33 -0.517 -3.453 -2.587 270 HG11 VAL 33 1HG1 VAL 33 -2.938 -3.040 -2.211 271 HG12 VAL 33 2HG1 VAL 33 -2.388 -4.560 -1.509 272 HG13 VAL 33 3HG1 VAL 33 -2.677 -3.160 -0.462 273 HG21 VAL 33 1HG2 VAL 33 0.198 -1.182 -1.979 274 HG22 VAL 33 2HG2 VAL 33 -1.461 -1.211 -2.572 275 HG23 VAL 33 3HG2 VAL 33 -1.156 -1.069 -0.837 276 H GLU 34 H GLU 34 -0.732 -5.488 1.212 277 HA GLU 34 HA GLU 34 -0.253 -7.675 -0.772 278 HB2 GLU 34 1HB GLU 34 0.962 -7.543 2.005 279 HB3 GLU 34 2HB GLU 34 0.673 -9.079 1.197 280 HG2 GLU 34 1HG GLU 34 2.453 -6.879 0.066 281 HG3 GLU 34 2HG GLU 34 2.998 -8.266 0.999 282 H LYS 35 H LYS 35 -1.421 -9.666 -0.351 283 HA LYS 35 HA LYS 35 -3.955 -9.033 1.011 284 HB2 LYS 35 1HB LYS 35 -4.973 -10.810 -0.177 285 HB3 LYS 35 2HB LYS 35 -4.052 -9.819 -1.280 286 HG2 LYS 35 1HG LYS 35 -3.684 -11.908 -2.063 287 HG3 LYS 35 2HG LYS 35 -2.200 -11.619 -1.157 288 HD2 LYS 35 1HD LYS 35 -2.957 -13.172 0.588 289 HD3 LYS 35 2HD LYS 35 -4.598 -13.168 -0.084 290 HE2 LYS 35 1HE LYS 35 -3.638 -15.229 -0.747 291 HE3 LYS 35 2HE LYS 35 -3.698 -14.204 -2.180 292 HZ1 LYS 35 1HZ LYS 35 -1.609 -15.159 -2.207 293 HZ2 LYS 35 2HZ LYS 35 -1.340 -14.982 -0.588 294 HZ3 LYS 35 3HZ LYS 35 -1.259 -13.682 -1.574 295 H VAL 36 H VAL 36 -4.979 -10.429 2.447 296 HA VAL 36 HA VAL 36 -3.348 -11.550 4.520 297 HB VAL 36 HB VAL 36 -6.313 -11.474 3.825 298 HG11 VAL 36 1HG1 VAL 36 -5.178 -12.594 6.410 299 HG12 VAL 36 2HG1 VAL 36 -6.891 -12.288 6.052 300 HG13 VAL 36 3HG1 VAL 36 -6.026 -13.536 5.157 301 HG21 VAL 36 1HG2 VAL 36 -5.245 -9.349 4.559 302 HG22 VAL 36 2HG2 VAL 36 -6.426 -9.930 5.738 303 HG23 VAL 36 3HG2 VAL 36 -4.692 -10.147 6.048 304 H SER 37 H SER 37 -2.467 -13.631 4.628 305 HA SER 37 HA SER 37 -2.653 -15.375 2.435 306 HB2 SER 37 1HB SER 37 -1.572 -17.034 4.026 307 HB3 SER 37 2HB SER 37 -0.720 -15.526 3.690 308 HG SER 37 HG SER 37 -0.715 -16.153 5.887 309 H GLY 38 H GLY 38 -4.098 -16.712 1.792 310 HA2 GLY 38 1HA GLY 38 -5.583 -18.527 1.982 311 HA3 GLY 38 2HA GLY 38 -6.068 -17.994 3.598 312 H SER 39 H SER 39 -6.174 -15.073 2.373 313 HA SER 39 HA SER 39 -8.911 -14.978 2.053 314 HB2 SER 39 1HB SER 39 -7.183 -13.087 2.483 315 HB3 SER 39 2HB SER 39 -7.139 -12.918 0.718 316 HG SER 39 HG SER 39 -9.277 -12.725 2.560 317 H GLN 40 H GLN 40 -10.322 -15.092 0.463 318 HA GLN 40 HA GLN 40 -9.823 -16.603 -1.875 319 HB2 GLN 40 1HB GLN 40 -12.140 -14.651 -1.629 320 HB3 GLN 40 2HB GLN 40 -12.091 -16.221 -2.433 321 HG2 GLN 40 1HG GLN 40 -11.926 -17.287 -0.164 322 HG3 GLN 40 2HG GLN 40 -12.105 -15.690 0.563 323 HE21 GLN 40 1HE2 GLN 40 -15.323 -17.518 -1.261 324 HE22 GLN 40 2HE2 GLN 40 -13.646 -18.050 -1.497 325 H ILE 41 H ILE 41 -9.719 -13.189 -1.394 326 HA ILE 41 HA ILE 41 -10.225 -12.321 -4.076 327 HB ILE 41 HB ILE 41 -10.416 -10.869 -2.117 328 HG12 ILE 41 1HG1 ILE 41 -9.463 -8.799 -2.943 329 HG13 ILE 41 2HG1 ILE 41 -8.421 -9.671 -4.062 330 HG21 ILE 41 1HG2 ILE 41 -7.370 -10.834 -2.006 331 HG22 ILE 41 2HG2 ILE 41 -8.459 -9.844 -1.020 332 HG23 ILE 41 3HG2 ILE 41 -8.435 -11.600 -0.818 333 HD11 ILE 41 1HD1 ILE 41 -10.396 -10.471 -5.312 334 HD12 ILE 41 2HD1 ILE 41 -11.464 -9.741 -4.091 335 HD13 ILE 41 3HD1 ILE 41 -10.447 -8.715 -5.133 336 H VAL 42 H VAL 42 -8.764 -11.412 -5.661 337 HA VAL 42 HA VAL 42 -6.583 -13.136 -6.269 338 HB VAL 42 HB VAL 42 -6.222 -11.653 -8.159 339 HG11 VAL 42 1HG1 VAL 42 -8.355 -11.713 -9.269 340 HG12 VAL 42 2HG1 VAL 42 -8.268 -13.118 -8.207 341 HG13 VAL 42 3HG1 VAL 42 -9.239 -11.708 -7.728 342 HG21 VAL 42 1HG2 VAL 42 -7.454 -9.583 -8.527 343 HG22 VAL 42 2HG2 VAL 42 -8.122 -9.655 -6.876 344 HG23 VAL 42 3HG2 VAL 42 -6.368 -9.470 -7.152 345 H ASP 43 H ASP 43 -4.289 -12.762 -5.999 346 HA ASP 43 HA ASP 43 -3.645 -10.798 -3.947 347 HB2 ASP 43 1HB ASP 43 -1.686 -11.984 -3.714 348 HB3 ASP 43 2HB ASP 43 -2.894 -13.213 -3.944 349 H ILE 44 H ILE 44 -1.563 -9.595 -4.354 350 HA ILE 44 HA ILE 44 -1.587 -8.408 -7.077 351 HB ILE 44 HB ILE 44 -2.472 -6.889 -5.427 352 HG12 ILE 44 1HG1 ILE 44 0.364 -6.054 -6.158 353 HG13 ILE 44 2HG1 ILE 44 -1.003 -6.107 -7.277 354 HG21 ILE 44 1HG2 ILE 44 -1.222 -6.082 -3.485 355 HG22 ILE 44 2HG2 ILE 44 -1.404 -7.829 -3.364 356 HG23 ILE 44 3HG2 ILE 44 0.142 -7.137 -3.876 357 HD11 ILE 44 1HD1 ILE 44 -2.201 -4.458 -5.963 358 HD12 ILE 44 2HD1 ILE 44 -0.844 -4.339 -4.812 359 HD13 ILE 44 3HD1 ILE 44 -0.621 -3.853 -6.494 360 H ASP 45 H ASP 45 0.442 -8.052 -8.042 361 HA ASP 45 HA ASP 45 2.447 -9.972 -7.259 362 HB2 ASP 45 1HB ASP 45 1.749 -8.846 -9.644 363 HB3 ASP 45 2HB ASP 45 3.159 -7.843 -9.233 364 H LYS 46 H LYS 46 4.773 -9.304 -7.086 365 HA LYS 46 HA LYS 46 5.011 -7.517 -4.769 366 HB2 LYS 46 1HB LYS 46 6.928 -9.265 -6.348 367 HB3 LYS 46 2HB LYS 46 7.519 -8.080 -5.171 368 HG2 LYS 46 1HG LYS 46 7.403 -9.865 -3.802 369 HG3 LYS 46 2HG LYS 46 5.796 -9.208 -3.529 370 HD2 LYS 46 1HD LYS 46 4.910 -10.873 -5.222 371 HD3 LYS 46 2HD LYS 46 6.552 -11.554 -5.341 372 HE2 LYS 46 1HE LYS 46 6.550 -12.042 -2.923 373 HE3 LYS 46 2HE LYS 46 4.949 -11.291 -2.753 374 HZ1 LYS 46 1HZ LYS 46 4.090 -13.009 -4.262 375 HZ2 LYS 46 2HZ LYS 46 4.755 -13.669 -2.888 376 HZ3 LYS 46 3HZ LYS 46 5.600 -13.719 -4.281 377 H ARG 47 H ARG 47 4.492 -5.440 -5.418 378 HA ARG 47 HA ARG 47 6.468 -4.139 -7.206 379 HB2 ARG 47 1HB ARG 47 3.455 -3.777 -7.337 380 HB3 ARG 47 2HB ARG 47 4.615 -2.769 -8.199 381 HG2 ARG 47 1HG ARG 47 4.325 -5.779 -8.620 382 HG3 ARG 47 2HG ARG 47 3.503 -4.569 -9.571 383 HD2 ARG 47 1HD ARG 47 6.466 -4.289 -9.414 384 HD3 ARG 47 2HD ARG 47 5.848 -5.692 -10.280 385 HE ARG 47 HE ARG 47 4.563 -3.190 -11.035 386 HH11 ARG 47 1HH1 ARG 47 7.370 -5.348 -11.815 387 HH12 ARG 47 2HH1 ARG 47 7.337 -4.933 -13.466 388 HH21 ARG 47 1HH2 ARG 47 4.648 -2.636 -13.293 389 HH22 ARG 47 2HH2 ARG 47 5.756 -3.475 -14.316 390 H LYS 48 H LYS 48 6.760 -1.935 -6.803 391 HA LYS 48 HA LYS 48 6.222 -1.127 -3.986 392 HB2 LYS 48 1HB LYS 48 8.146 0.185 -5.944 393 HB3 LYS 48 2HB LYS 48 8.031 0.420 -4.206 394 HG2 LYS 48 1HG LYS 48 8.720 -2.024 -3.938 395 HG3 LYS 48 2HG LYS 48 9.010 -2.047 -5.689 396 HD2 LYS 48 1HD LYS 48 10.603 -0.108 -5.376 397 HD3 LYS 48 2HD LYS 48 10.297 -0.229 -3.638 398 HE2 LYS 48 1HE LYS 48 12.224 -1.385 -3.682 399 HE3 LYS 48 2HE LYS 48 11.109 -2.716 -3.940 400 HZ1 LYS 48 1HZ LYS 48 11.627 -2.494 -6.344 401 HZ2 LYS 48 2HZ LYS 48 12.937 -2.858 -5.471 402 HZ3 LYS 48 3HZ LYS 48 12.715 -1.296 -5.962 403 H TYR 49 H TYR 49 4.151 -0.119 -3.951 404 HA TYR 49 HA TYR 49 3.384 1.419 -6.356 405 HB2 TYR 49 2HB TYR 49 1.962 0.475 -3.858 406 HB3 TYR 49 3HB TYR 49 1.339 1.814 -4.816 407 HD1 TYR 49 1HD TYR 49 3.011 -0.772 -6.850 408 HD2 TYR 49 2HD TYR 49 -0.716 0.420 -4.999 409 HE1 TYR 49 1HE TYR 49 1.783 -2.076 -8.500 410 HE2 TYR 49 2HE TYR 49 -1.957 -0.921 -6.688 411 HH TYR 49 HH TYR 49 -0.260 -2.758 -9.272 412 H LEU 50 H LEU 50 3.321 3.560 -6.505 413 HA LEU 50 HA LEU 50 4.210 5.208 -4.170 414 HB2 LEU 50 1HB LEU 50 4.659 5.802 -7.111 415 HB3 LEU 50 2HB LEU 50 5.311 6.664 -5.722 416 HG LEU 50 HG LEU 50 6.089 3.896 -6.762 417 HD11 LEU 50 1HD1 LEU 50 8.306 5.093 -7.046 418 HD12 LEU 50 2HD1 LEU 50 7.477 6.595 -6.606 419 HD13 LEU 50 3HD1 LEU 50 7.001 5.710 -8.066 420 HD21 LEU 50 1HD2 LEU 50 7.830 3.874 -5.048 421 HD22 LEU 50 2HD2 LEU 50 6.239 3.829 -4.315 422 HD23 LEU 50 3HD2 LEU 50 7.130 5.353 -4.308 423 H VAL 51 H VAL 51 2.314 6.227 -3.435 424 HA VAL 51 HA VAL 51 0.385 7.190 -5.532 425 HB VAL 51 HB VAL 51 -1.220 7.180 -3.579 426 HG11 VAL 51 1HG1 VAL 51 -0.168 4.564 -4.733 427 HG12 VAL 51 2HG1 VAL 51 -1.789 4.805 -3.987 428 HG13 VAL 51 3HG1 VAL 51 -1.351 5.644 -5.470 429 HG21 VAL 51 1HG2 VAL 51 0.433 6.775 -1.768 430 HG22 VAL 51 2HG2 VAL 51 -0.883 5.594 -1.788 431 HG23 VAL 51 3HG2 VAL 51 0.727 5.152 -2.405 432 HA PRO 52 HA PRO 52 1.565 11.176 -4.267 433 HB2 PRO 52 2HB PRO 52 -0.447 12.784 -5.167 434 HB3 PRO 52 3HB PRO 52 0.747 12.002 -6.241 435 HG2 PRO 52 2HG PRO 52 -2.043 11.060 -5.567 436 HG3 PRO 52 3HG PRO 52 -1.307 11.174 -7.126 437 HD2 PRO 52 2HD PRO 52 -1.381 8.816 -5.681 438 HD3 PRO 52 3HD PRO 52 0.022 9.205 -6.728 439 H SER 53 H SER 53 1.485 12.467 -2.594 440 HA SER 53 HA SER 53 -0.059 11.946 -0.325 441 HB2 SER 53 1HB SER 53 1.477 14.438 -1.212 442 HB3 SER 53 2HB SER 53 1.018 14.057 0.453 443 HG SER 53 HG SER 53 2.991 13.214 0.341 444 H ASP 54 H ASP 54 -0.764 13.708 -3.145 445 HA ASP 54 HA ASP 54 -2.509 15.779 -2.295 446 HB2 ASP 54 1HB ASP 54 -2.405 14.230 -4.931 447 HB3 ASP 54 2HB ASP 54 -3.217 15.764 -4.678 448 H ILE 55 H ILE 55 -3.101 12.332 -3.229 449 HA ILE 55 HA ILE 55 -6.009 12.814 -3.110 450 HB ILE 55 HB ILE 55 -6.254 10.477 -3.675 451 HG12 ILE 55 1HG1 ILE 55 -3.414 9.908 -4.372 452 HG13 ILE 55 2HG1 ILE 55 -3.689 10.079 -2.654 453 HG21 ILE 55 1HG2 ILE 55 -4.403 11.893 -5.599 454 HG22 ILE 55 2HG2 ILE 55 -5.770 10.763 -5.946 455 HG23 ILE 55 3HG2 ILE 55 -6.078 12.350 -5.300 456 HD11 ILE 55 1HD1 ILE 55 -5.325 8.241 -4.422 457 HD12 ILE 55 2HD1 ILE 55 -3.970 7.760 -3.368 458 HD13 ILE 55 3HD1 ILE 55 -5.444 8.421 -2.663 459 H THR 56 H THR 56 -7.381 11.083 -1.972 460 HA THR 56 HA THR 56 -6.548 10.943 0.851 461 HB THR 56 HB THR 56 -9.068 10.796 1.156 462 HG1 THR 56 1HG THR 56 -10.224 11.468 -0.877 463 HG21 THR 56 1HG2 THR 56 -9.603 13.147 0.599 464 HG22 THR 56 2HG2 THR 56 -8.081 13.282 -0.305 465 HG23 THR 56 3HG2 THR 56 -8.050 12.982 1.447 466 H VAL 57 H VAL 57 -7.461 9.156 2.023 467 HA VAL 57 HA VAL 57 -6.756 6.617 1.058 468 HB VAL 57 HB VAL 57 -8.576 7.551 3.312 469 HG11 VAL 57 1HG1 VAL 57 -7.478 4.733 2.928 470 HG12 VAL 57 2HG1 VAL 57 -8.387 5.346 4.334 471 HG13 VAL 57 3HG1 VAL 57 -9.184 5.200 2.781 472 HG21 VAL 57 1HG2 VAL 57 -6.186 8.198 3.493 473 HG22 VAL 57 2HG2 VAL 57 -6.652 7.032 4.734 474 HG23 VAL 57 3HG2 VAL 57 -5.723 6.497 3.310 475 H ALA 58 H ALA 58 -9.851 8.407 0.758 476 HA ALA 58 HA ALA 58 -11.530 6.273 0.016 477 HB1 ALA 58 1HB ALA 58 -12.241 8.611 0.573 478 HB2 ALA 58 2HB ALA 58 -11.554 9.161 -0.957 479 HB3 ALA 58 3HB ALA 58 -12.925 8.045 -0.941 480 H GLN 59 H GLN 59 -9.610 8.488 -2.074 481 HA GLN 59 HA GLN 59 -10.294 7.194 -4.527 482 HB2 GLN 59 1HB GLN 59 -7.851 8.912 -3.998 483 HB3 GLN 59 2HB GLN 59 -8.613 8.589 -5.537 484 HG2 GLN 59 1HG GLN 59 -9.477 10.428 -3.326 485 HG3 GLN 59 2HG GLN 59 -9.295 10.774 -5.032 486 HE21 GLN 59 1HE2 GLN 59 -12.599 9.371 -5.909 487 HE22 GLN 59 2HE2 GLN 59 -10.953 9.452 -6.466 488 H PHE 60 H PHE 60 -7.529 6.846 -2.281 489 HA PHE 60 HA PHE 60 -5.942 5.178 -3.892 490 HB2 PHE 60 2HB PHE 60 -5.179 6.187 -1.781 491 HB3 PHE 60 3HB PHE 60 -6.319 5.207 -0.875 492 HD1 PHE 60 1HD PHE 60 -4.577 4.386 0.599 493 HD2 PHE 60 2HD PHE 60 -4.349 3.664 -3.663 494 HE1 PHE 60 1HE PHE 60 -2.878 2.640 0.976 495 HE2 PHE 60 2HE PHE 60 -2.721 1.884 -3.270 496 HZ PHE 60 HZ PHE 60 -1.947 1.363 -0.950 497 H MET 61 H MET 61 -8.592 4.312 -1.624 498 HA MET 61 HA MET 61 -8.464 1.500 -2.052 499 HB2 MET 61 1HB MET 61 -9.644 2.438 -0.175 500 HB3 MET 61 2HB MET 61 -10.746 3.321 -1.247 501 HG2 MET 61 1HG MET 61 -11.726 1.253 -2.051 502 HG3 MET 61 2HG MET 61 -10.559 0.302 -1.134 503 HE1 MET 61 1HE MET 61 -13.872 0.260 -1.261 504 HE2 MET 61 2HE MET 61 -14.668 1.031 0.124 505 HE3 MET 61 3HE MET 61 -13.995 2.037 -1.174 506 H TRP 62 H TRP 62 -10.398 4.097 -3.768 507 HA TRP 62 HA TRP 62 -11.808 2.240 -5.424 508 HB2 TRP 62 2HB TRP 62 -11.133 5.152 -5.713 509 HB3 TRP 62 3HB TRP 62 -11.735 4.247 -7.090 510 HD1 TRP 62 HD1 TRP 62 -12.908 4.423 -3.406 511 HE1 TRP 62 1HE TRP 62 -15.460 4.848 -3.382 512 HE3 TRP 62 3HE TRP 62 -13.774 4.695 -8.422 513 HZ2 TRP 62 2HZ TRP 62 -17.603 4.965 -5.267 514 HZ3 TRP 62 3HZ TRP 62 -16.092 5.081 -9.282 515 HH2 TRP 62 HH2 TRP 62 -17.999 5.166 -7.717 516 H ILE 63 H ILE 63 -8.564 3.725 -5.884 517 HA ILE 63 HA ILE 63 -8.162 2.596 -8.476 518 HB ILE 63 HB ILE 63 -6.095 3.353 -6.381 519 HG12 ILE 63 1HG1 ILE 63 -6.850 4.999 -8.831 520 HG13 ILE 63 2HG1 ILE 63 -7.727 5.196 -7.325 521 HG21 ILE 63 1HG2 ILE 63 -4.592 3.537 -8.456 522 HG22 ILE 63 2HG2 ILE 63 -5.034 1.894 -8.000 523 HG23 ILE 63 3HG2 ILE 63 -5.855 2.695 -9.354 524 HD11 ILE 63 1HD1 ILE 63 -5.567 5.632 -6.139 525 HD12 ILE 63 2HD1 ILE 63 -4.745 5.618 -7.722 526 HD13 ILE 63 3HD1 ILE 63 -5.976 6.828 -7.367 527 H ILE 64 H ILE 64 -7.140 1.382 -5.191 528 HA ILE 64 HA ILE 64 -5.934 -0.988 -6.046 529 HB ILE 64 HB ILE 64 -7.410 -0.212 -3.518 530 HG12 ILE 64 1HG1 ILE 64 -4.522 -1.051 -3.997 531 HG13 ILE 64 2HG1 ILE 64 -5.072 0.612 -4.107 532 HG21 ILE 64 1HG2 ILE 64 -7.903 -2.624 -3.671 533 HG22 ILE 64 2HG2 ILE 64 -6.194 -2.965 -4.008 534 HG23 ILE 64 3HG2 ILE 64 -6.713 -2.360 -2.426 535 HD11 ILE 64 1HD1 ILE 64 -5.596 0.698 -1.764 536 HD12 ILE 64 2HD1 ILE 64 -5.313 -1.050 -1.555 537 HD13 ILE 64 3HD1 ILE 64 -3.973 -0.008 -1.945 538 H ARG 65 H ARG 65 -9.448 -0.597 -5.237 539 HA ARG 65 HA ARG 65 -10.009 -3.305 -5.919 540 HB2 ARG 65 1HB ARG 65 -12.342 -2.764 -5.929 541 HB3 ARG 65 2HB ARG 65 -11.542 -1.978 -4.566 542 HG2 ARG 65 1HG ARG 65 -11.491 0.132 -5.802 543 HG3 ARG 65 2HG ARG 65 -12.317 -0.606 -7.190 544 HD2 ARG 65 1HD ARG 65 -13.381 -0.225 -4.382 545 HD3 ARG 65 2HD ARG 65 -13.858 0.692 -5.827 546 HE ARG 65 HE ARG 65 -14.382 -1.849 -6.609 547 HH11 ARG 65 1HH1 ARG 65 -15.371 0.034 -3.800 548 HH12 ARG 65 2HH1 ARG 65 -16.621 -1.042 -3.274 549 HH21 ARG 65 1HH2 ARG 65 -16.213 -3.109 -6.203 550 HH22 ARG 65 2HH2 ARG 65 -17.218 -2.798 -4.809 551 H LYS 66 H LYS 66 -9.943 -0.423 -8.108 552 HA LYS 66 HA LYS 66 -10.963 -2.098 -10.291 553 HB2 LYS 66 1HB LYS 66 -9.775 0.706 -10.197 554 HB3 LYS 66 2HB LYS 66 -10.105 -0.149 -11.714 555 HG2 LYS 66 1HG LYS 66 -12.468 -0.598 -10.794 556 HG3 LYS 66 2HG LYS 66 -12.127 0.629 -9.575 557 HD2 LYS 66 1HD LYS 66 -11.905 1.105 -12.595 558 HD3 LYS 66 2HD LYS 66 -13.390 1.326 -11.671 559 HE2 LYS 66 1HE LYS 66 -12.003 2.881 -10.128 560 HE3 LYS 66 2HE LYS 66 -10.786 2.884 -11.416 561 HZ1 LYS 66 1HZ LYS 66 -12.494 3.738 -12.910 562 HZ2 LYS 66 2HZ LYS 66 -12.411 4.714 -11.577 563 HZ3 LYS 66 3HZ LYS 66 -13.629 3.632 -11.723 564 H ARG 67 H ARG 67 -7.719 -1.254 -9.096 565 HA ARG 67 HA ARG 67 -6.310 -2.186 -11.363 566 HB2 ARG 67 1HB ARG 67 -5.416 -0.778 -9.470 567 HB3 ARG 67 2HB ARG 67 -5.439 -2.194 -8.425 568 HG2 ARG 67 1HG ARG 67 -3.224 -1.616 -9.336 569 HG3 ARG 67 2HG ARG 67 -3.701 -3.271 -9.764 570 HD2 ARG 67 1HD ARG 67 -4.106 -2.706 -12.016 571 HD3 ARG 67 2HD ARG 67 -4.281 -0.975 -11.648 572 HE ARG 67 HE ARG 67 -1.643 -1.655 -11.018 573 HH11 ARG 67 1HH1 ARG 67 -3.750 -1.455 -13.838 574 HH12 ARG 67 2HH1 ARG 67 -2.501 -1.011 -14.962 575 HH21 ARG 67 1HH2 ARG 67 -0.065 -0.827 -12.359 576 HH22 ARG 67 2HH2 ARG 67 -0.338 -0.539 -14.072 577 H ILE 68 H ILE 68 -7.264 -3.885 -8.336 578 HA ILE 68 HA ILE 68 -6.306 -6.430 -9.418 579 HB ILE 68 HB ILE 68 -6.927 -7.391 -7.407 580 HG12 ILE 68 1HG1 ILE 68 -8.611 -4.955 -6.730 581 HG13 ILE 68 2HG1 ILE 68 -9.200 -6.566 -7.134 582 HG21 ILE 68 1HG2 ILE 68 -6.015 -4.631 -6.541 583 HG22 ILE 68 2HG2 ILE 68 -5.636 -6.218 -5.832 584 HG23 ILE 68 3HG2 ILE 68 -4.975 -5.785 -7.406 585 HD11 ILE 68 1HD1 ILE 68 -7.947 -7.470 -5.134 586 HD12 ILE 68 2HD1 ILE 68 -7.691 -5.780 -4.629 587 HD13 ILE 68 3HD1 ILE 68 -9.336 -6.431 -4.795 588 H GLN 69 H GLN 69 -8.979 -4.587 -10.164 589 HA GLN 69 HA GLN 69 -10.993 -4.903 -11.101 590 HB2 GLN 69 1HB GLN 69 -9.712 -7.481 -12.048 591 HB3 GLN 69 2HB GLN 69 -11.162 -6.742 -12.733 592 HG2 GLN 69 1HG GLN 69 -9.934 -4.937 -13.661 593 HG3 GLN 69 2HG GLN 69 -8.507 -5.284 -12.682 594 HE21 GLN 69 1HE2 GLN 69 -9.091 -8.158 -15.591 595 HE22 GLN 69 2HE2 GLN 69 -10.433 -7.765 -14.532 596 H LEU 70 H LEU 70 -11.336 -5.194 -8.613 597 HA LEU 70 HA LEU 70 -12.160 -7.720 -7.592 598 HB2 LEU 70 1HB LEU 70 -11.374 -5.959 -6.177 599 HB3 LEU 70 2HB LEU 70 -12.627 -4.859 -6.709 600 HG LEU 70 HG LEU 70 -12.671 -6.122 -4.372 601 HD11 LEU 70 1HD1 LEU 70 -14.298 -4.438 -5.094 602 HD12 LEU 70 2HD1 LEU 70 -15.030 -5.754 -4.166 603 HD13 LEU 70 3HD1 LEU 70 -15.233 -5.711 -5.924 604 HD21 LEU 70 1HD2 LEU 70 -13.890 -8.060 -4.166 605 HD22 LEU 70 2HD2 LEU 70 -12.717 -8.401 -5.445 606 HD23 LEU 70 3HD2 LEU 70 -14.404 -8.064 -5.850 607 HA PRO 71 HA PRO 71 -16.054 -7.505 -9.978 608 HB2 PRO 71 2HB PRO 71 -16.970 -10.031 -9.474 609 HB3 PRO 71 3HB PRO 71 -15.596 -9.738 -10.581 610 HG2 PRO 71 2HG PRO 71 -15.468 -10.466 -7.634 611 HG3 PRO 71 3HG PRO 71 -14.641 -11.273 -9.005 612 HD2 PRO 71 2HD PRO 71 -13.382 -9.407 -7.520 613 HD3 PRO 71 3HD PRO 71 -13.177 -9.451 -9.291 614 H SER 72 H SER 72 -18.372 -7.542 -9.408 615 HA SER 72 HA SER 72 -18.847 -6.617 -6.728 616 HB2 SER 72 1HB SER 72 -20.857 -7.344 -8.886 617 HB3 SER 72 2HB SER 72 -21.162 -6.381 -7.424 618 HG SER 72 HG SER 72 -19.340 -5.042 -8.200 619 H GLU 73 H GLU 73 -18.646 -9.797 -7.912 620 HA GLU 73 HA GLU 73 -20.536 -10.955 -6.059 621 HB2 GLU 73 1HB GLU 73 -19.692 -13.066 -6.777 622 HB3 GLU 73 2HB GLU 73 -19.900 -12.023 -8.174 623 HG2 GLU 73 1HG GLU 73 -17.400 -11.601 -8.071 624 HG3 GLU 73 2HG GLU 73 -17.319 -12.842 -6.821 625 H LYS 74 H LYS 74 -17.094 -10.020 -5.874 626 HA LYS 74 HA LYS 74 -16.962 -11.148 -3.126 627 HB2 LYS 74 1HB LYS 74 -14.587 -10.232 -4.777 628 HB3 LYS 74 2HB LYS 74 -14.566 -11.111 -3.262 629 HG2 LYS 74 1HG LYS 74 -15.382 -12.143 -5.973 630 HG3 LYS 74 2HG LYS 74 -13.932 -12.547 -5.096 631 HD2 LYS 74 1HD LYS 74 -16.714 -13.244 -4.042 632 HD3 LYS 74 2HD LYS 74 -15.810 -14.246 -5.151 633 HE2 LYS 74 1HE LYS 74 -15.373 -15.209 -3.106 634 HE3 LYS 74 2HE LYS 74 -13.906 -14.313 -3.464 635 HZ1 LYS 74 1HZ LYS 74 -16.105 -13.301 -1.740 636 HZ2 LYS 74 2HZ LYS 74 -14.591 -12.664 -1.847 637 HZ3 LYS 74 3HZ LYS 74 -14.849 -14.140 -1.150 638 H ALA 75 H ALA 75 -15.663 -9.721 -1.582 639 HA ALA 75 HA ALA 75 -16.473 -6.880 -1.909 640 HB1 ALA 75 1HB ALA 75 -17.659 -8.069 -0.106 641 HB2 ALA 75 2HB ALA 75 -16.111 -8.585 0.586 642 HB3 ALA 75 3HB ALA 75 -16.552 -6.862 0.563 643 H ILE 76 H ILE 76 -14.911 -5.461 -0.398 644 HA ILE 76 HA ILE 76 -12.142 -6.409 -0.458 645 HB ILE 76 HB ILE 76 -12.519 -5.151 -2.558 646 HG12 ILE 76 1HG1 ILE 76 -10.739 -3.339 -2.114 647 HG13 ILE 76 2HG1 ILE 76 -10.676 -3.936 -0.475 648 HG21 ILE 76 1HG2 ILE 76 -13.131 -2.685 -0.923 649 HG22 ILE 76 2HG2 ILE 76 -13.011 -2.822 -2.685 650 HG23 ILE 76 3HG2 ILE 76 -14.330 -3.627 -1.835 651 HD11 ILE 76 1HD1 ILE 76 -8.944 -4.938 -1.933 652 HD12 ILE 76 2HD1 ILE 76 -10.048 -6.179 -1.298 653 HD13 ILE 76 3HD1 ILE 76 -10.220 -5.600 -2.971 654 H PHE 77 H PHE 77 -10.980 -5.652 1.276 655 HA PHE 77 HA PHE 77 -12.065 -3.588 3.089 656 HB2 PHE 77 2HB PHE 77 -11.286 -6.399 3.958 657 HB3 PHE 77 3HB PHE 77 -11.748 -5.065 5.015 658 HD1 PHE 77 1HD PHE 77 -12.957 -7.811 2.973 659 HD2 PHE 77 2HD PHE 77 -14.101 -4.118 4.853 660 HE1 PHE 77 1HE PHE 77 -15.350 -8.421 2.716 661 HE2 PHE 77 2HE PHE 77 -16.506 -4.742 4.625 662 HZ PHE 77 HZ PHE 77 -17.131 -6.872 3.508 663 H LEU 78 H LEU 78 -10.331 -2.328 3.817 664 HA LEU 78 HA LEU 78 -7.546 -3.271 3.242 665 HB2 LEU 78 1HB LEU 78 -8.685 -0.435 3.117 666 HB3 LEU 78 2HB LEU 78 -6.988 -0.847 3.113 667 HG LEU 78 HG LEU 78 -7.348 -2.188 0.986 668 HD11 LEU 78 1HD1 LEU 78 -9.767 -2.448 0.962 669 HD12 LEU 78 2HD1 LEU 78 -9.265 -1.507 -0.434 670 HD13 LEU 78 3HD1 LEU 78 -9.980 -0.672 0.977 671 HD21 LEU 78 1HD2 LEU 78 -6.308 0.041 0.991 672 HD22 LEU 78 2HD2 LEU 78 -7.905 0.818 0.969 673 HD23 LEU 78 3HD2 LEU 78 -7.351 -0.136 -0.425 674 H PHE 79 H PHE 79 -6.004 -2.882 4.882 675 HA PHE 79 HA PHE 79 -6.882 -1.560 7.387 676 HB2 PHE 79 2HB PHE 79 -5.635 -4.332 7.194 677 HB3 PHE 79 3HB PHE 79 -5.959 -3.448 8.678 678 HD1 PHE 79 1HD PHE 79 -7.537 -5.239 5.815 679 HD2 PHE 79 2HD PHE 79 -8.202 -3.338 9.631 680 HE1 PHE 79 1HE PHE 79 -9.822 -6.195 5.896 681 HE2 PHE 79 2HE PHE 79 -10.460 -4.359 9.740 682 HZ PHE 79 HZ PHE 79 -11.278 -5.785 7.878 683 H VAL 80 H VAL 80 -5.273 -0.309 8.279 684 HA VAL 80 HA VAL 80 -2.492 -0.651 7.289 685 HB VAL 80 HB VAL 80 -3.742 1.281 6.281 686 HG11 VAL 80 1HG1 VAL 80 -3.435 2.583 8.999 687 HG12 VAL 80 2HG1 VAL 80 -4.001 3.325 7.511 688 HG13 VAL 80 3HG1 VAL 80 -4.976 2.061 8.298 689 HG21 VAL 80 1HG2 VAL 80 -1.827 2.800 6.465 690 HG22 VAL 80 2HG2 VAL 80 -1.235 1.923 7.883 691 HG23 VAL 80 3HG2 VAL 80 -1.280 1.123 6.295 692 H ASP 81 H ASP 81 -1.077 -1.069 8.867 693 HA ASP 81 HA ASP 81 -0.431 -1.741 10.918 694 HB2 ASP 81 1HB ASP 81 0.393 0.569 10.545 695 HB3 ASP 81 2HB ASP 81 -0.938 1.181 11.542 696 H LYS 82 H LYS 82 -2.790 -2.796 10.840 697 HA LYS 82 HA LYS 82 -4.469 -3.692 12.055 698 HB2 LYS 82 1HB LYS 82 -3.356 -2.582 14.633 699 HB3 LYS 82 2HB LYS 82 -4.292 -4.030 14.336 700 HG2 LYS 82 1HG LYS 82 -2.364 -5.145 14.520 701 HG3 LYS 82 2HG LYS 82 -2.046 -4.604 12.874 702 HD2 LYS 82 1HD LYS 82 -0.940 -2.524 13.944 703 HD3 LYS 82 2HD LYS 82 -1.069 -3.361 15.489 704 HE2 LYS 82 1HE LYS 82 0.442 -5.073 14.783 705 HE3 LYS 82 2HE LYS 82 0.230 -4.659 13.073 706 HZ1 LYS 82 1HZ LYS 82 2.316 -3.839 13.839 707 HZ2 LYS 82 2HZ LYS 82 1.637 -2.978 15.057 708 HZ3 LYS 82 3HZ LYS 82 1.349 -2.534 13.527 709 H THR 83 H THR 83 -4.807 -0.827 11.071 710 HA THR 83 HA THR 83 -7.160 -0.191 12.761 711 HB THR 83 HB THR 83 -6.688 2.171 12.548 712 HG1 THR 83 1HG THR 83 -4.425 1.367 11.080 713 HG21 THR 83 1HG2 THR 83 -5.749 0.924 14.505 714 HG22 THR 83 2HG2 THR 83 -4.856 2.399 14.077 715 HG23 THR 83 3HG2 THR 83 -4.199 0.822 13.633 716 H VAL 84 H VAL 84 -8.727 1.184 11.658 717 HA VAL 84 HA VAL 84 -9.026 0.423 8.809 718 HB VAL 84 HB VAL 84 -11.085 1.358 10.844 719 HG11 VAL 84 1HG1 VAL 84 -11.680 1.992 8.516 720 HG12 VAL 84 2HG1 VAL 84 -11.416 0.314 7.986 721 HG13 VAL 84 3HG1 VAL 84 -12.734 0.707 9.111 722 HG21 VAL 84 1HG2 VAL 84 -10.550 -1.416 9.694 723 HG22 VAL 84 2HG2 VAL 84 -10.322 -0.913 11.384 724 HG23 VAL 84 3HG2 VAL 84 -11.946 -0.966 10.695 725 HA PRO 85 HA PRO 85 -7.636 4.773 8.739 726 HB2 PRO 85 2HB PRO 85 -7.047 5.012 6.090 727 HB3 PRO 85 3HB PRO 85 -6.028 4.117 7.233 728 HG2 PRO 85 2HG PRO 85 -8.136 2.979 5.359 729 HG3 PRO 85 3HG PRO 85 -6.464 2.390 5.601 730 HD2 PRO 85 2HD PRO 85 -8.583 1.273 6.877 731 HD3 PRO 85 3HD PRO 85 -6.988 1.433 7.673 732 H GLN 86 H GLN 86 -8.919 6.548 8.660 733 HA GLN 86 HA GLN 86 -11.593 6.384 7.602 734 HB2 GLN 86 1HB GLN 86 -11.433 7.861 9.404 735 HB3 GLN 86 2HB GLN 86 -9.928 8.599 8.825 736 HG2 GLN 86 1HG GLN 86 -11.001 9.886 7.196 737 HG3 GLN 86 2HG GLN 86 -12.466 8.916 7.216 738 HE21 GLN 86 1HE2 GLN 86 -11.846 11.842 10.068 739 HE22 GLN 86 2HE2 GLN 86 -10.550 11.251 9.042 740 H SER 87 H SER 87 -12.196 6.619 5.551 741 HA SER 87 HA SER 87 -10.568 6.980 3.368 742 HB2 SER 87 1HB SER 87 -13.529 7.569 3.576 743 HB3 SER 87 2HB SER 87 -12.621 7.175 2.101 744 HG SER 87 HG SER 87 -13.448 5.302 2.737 745 H SER 88 H SER 88 -11.828 9.587 5.397 746 HA SER 88 HA SER 88 -11.632 11.679 3.379 747 HB2 SER 88 1HB SER 88 -13.203 11.557 5.423 748 HB3 SER 88 2HB SER 88 -11.788 11.857 6.422 749 HG SER 88 HG SER 88 -13.152 13.604 4.697 750 H LEU 89 H LEU 89 -9.312 10.023 5.490 751 HA LEU 89 HA LEU 89 -7.627 12.273 5.959 752 HB2 LEU 89 1HB LEU 89 -7.803 10.038 7.209 753 HB3 LEU 89 2HB LEU 89 -6.907 9.317 5.890 754 HG LEU 89 HG LEU 89 -4.939 10.616 6.309 755 HD11 LEU 89 1HD1 LEU 89 -4.742 12.189 8.253 756 HD12 LEU 89 2HD1 LEU 89 -6.497 12.221 8.381 757 HD13 LEU 89 3HD1 LEU 89 -5.690 12.819 6.919 758 HD21 LEU 89 1HD2 LEU 89 -5.344 8.628 7.765 759 HD22 LEU 89 2HD2 LEU 89 -6.067 9.679 8.991 760 HD23 LEU 89 3HD2 LEU 89 -4.353 9.850 8.567 761 H THR 90 H THR 90 -5.723 12.951 4.835 762 HA THR 90 HA THR 90 -5.656 12.307 1.997 763 HB THR 90 HB THR 90 -3.748 14.123 2.276 764 HG1 THR 90 1HG THR 90 -4.143 15.476 3.990 765 HG21 THR 90 1HG2 THR 90 -6.719 14.741 2.598 766 HG22 THR 90 2HG2 THR 90 -5.869 14.433 1.060 767 HG23 THR 90 3HG2 THR 90 -5.468 15.865 2.017 768 H MET 91 H MET 91 -3.733 11.555 0.970 769 HA MET 91 HA MET 91 -2.467 9.488 2.411 770 HB2 MET 91 1HB MET 91 -2.073 10.785 -0.299 771 HB3 MET 91 2HB MET 91 -0.851 9.657 0.273 772 HG2 MET 91 1HG MET 91 -3.806 9.103 -0.169 773 HG3 MET 91 2HG MET 91 -2.455 8.487 -1.103 774 HE1 MET 91 1HE MET 91 -0.577 7.769 1.836 775 HE2 MET 91 2HE MET 91 -0.763 6.024 1.553 776 HE3 MET 91 3HE MET 91 -0.473 7.115 0.191 777 H GLY 92 H GLY 92 -1.329 12.818 1.589 778 HA2 GLY 92 1HA GLY 92 1.300 12.507 2.578 779 HA3 GLY 92 2HA GLY 92 0.390 14.027 2.551 780 H GLN 93 H GLN 93 -1.706 13.461 4.331 781 HA GLN 93 HA GLN 93 -0.424 13.901 6.854 782 HB2 GLN 93 1HB GLN 93 -3.277 13.501 5.911 783 HB3 GLN 93 2HB GLN 93 -2.898 13.459 7.607 784 HG2 GLN 93 1HG GLN 93 -3.676 15.673 7.004 785 HG3 GLN 93 2HG GLN 93 -2.037 15.687 7.632 786 HE21 GLN 93 1HE2 GLN 93 -2.643 17.569 4.164 787 HE22 GLN 93 2HE2 GLN 93 -3.972 17.118 5.200 788 H LEU 94 H LEU 94 -2.203 11.090 5.463 789 HA LEU 94 HA LEU 94 -2.008 9.436 7.749 790 HB2 LEU 94 1HB LEU 94 -3.495 9.009 5.917 791 HB3 LEU 94 2HB LEU 94 -2.190 8.696 4.796 792 HG LEU 94 HG LEU 94 -2.524 7.120 7.383 793 HD11 LEU 94 1HD1 LEU 94 -3.910 5.475 6.237 794 HD12 LEU 94 2HD1 LEU 94 -3.893 6.459 4.749 795 HD13 LEU 94 3HD1 LEU 94 -4.701 7.046 6.220 796 HD21 LEU 94 1HD2 LEU 94 -1.577 5.238 6.015 797 HD22 LEU 94 2HD2 LEU 94 -0.450 6.553 6.189 798 HD23 LEU 94 3HD2 LEU 94 -1.335 6.384 4.663 799 H TYR 95 H TYR 95 0.221 9.795 4.996 800 HA TYR 95 HA TYR 95 2.136 7.850 5.725 801 HB2 TYR 95 2HB TYR 95 1.941 8.952 3.512 802 HB3 TYR 95 3HB TYR 95 2.357 10.507 4.245 803 HD1 TYR 95 1HD TYR 95 4.066 7.163 4.735 804 HD2 TYR 95 2HD TYR 95 4.268 11.171 3.116 805 HE1 TYR 95 1HE TYR 95 6.374 6.751 3.950 806 HE2 TYR 95 2HE TYR 95 6.565 10.745 2.339 807 HH TYR 95 HH TYR 95 7.996 8.947 1.713 808 H GLU 96 H GLU 96 1.881 11.386 6.459 809 HA GLU 96 HA GLU 96 4.338 11.576 7.926 810 HB2 GLU 96 1HB GLU 96 3.230 13.468 6.852 811 HB3 GLU 96 2HB GLU 96 1.787 13.252 7.862 812 HG2 GLU 96 1HG GLU 96 3.064 13.849 9.868 813 HG3 GLU 96 2HG GLU 96 4.554 13.929 8.907 814 H LYS 97 H LYS 97 1.006 10.719 8.871 815 HA LYS 97 HA LYS 97 1.826 10.736 11.668 816 HB2 LYS 97 1HB LYS 97 -0.349 10.698 12.347 817 HB3 LYS 97 2HB LYS 97 -0.270 11.797 10.988 818 HG2 LYS 97 1HG LYS 97 -2.170 10.692 10.344 819 HG3 LYS 97 2HG LYS 97 -0.996 9.591 9.652 820 HD2 LYS 97 1HD LYS 97 -2.582 8.260 10.776 821 HD3 LYS 97 2HD LYS 97 -1.124 8.281 11.786 822 HE2 LYS 97 1HE LYS 97 -2.106 9.842 13.333 823 HE3 LYS 97 2HE LYS 97 -3.558 9.991 12.330 824 HZ1 LYS 97 1HZ LYS 97 -4.011 7.661 12.708 825 HZ2 LYS 97 2HZ LYS 97 -3.788 8.374 14.185 826 HZ3 LYS 97 3HZ LYS 97 -2.585 7.469 13.523 827 H GLU 98 H GLU 98 1.465 8.301 9.166 828 HA GLU 98 HA GLU 98 1.717 6.213 11.294 829 HB2 GLU 98 1HB GLU 98 0.792 5.821 8.430 830 HB3 GLU 98 2HB GLU 98 0.795 4.639 9.750 831 HG2 GLU 98 1HG GLU 98 -0.678 6.449 10.982 832 HG3 GLU 98 2HG GLU 98 -1.030 7.019 9.351 833 H LYS 99 H LYS 99 3.819 7.843 9.223 834 HA LYS 99 HA LYS 99 5.349 5.988 7.957 835 HB2 LYS 99 1HB LYS 99 7.361 7.456 8.527 836 HB3 LYS 99 2HB LYS 99 6.034 8.193 7.660 837 HG2 LYS 99 1HG LYS 99 5.231 9.268 9.724 838 HG3 LYS 99 2HG LYS 99 6.469 8.430 10.673 839 HD2 LYS 99 1HD LYS 99 8.251 9.627 9.517 840 HD3 LYS 99 2HD LYS 99 7.085 10.384 8.422 841 HE2 LYS 99 1HE LYS 99 7.717 11.992 10.110 842 HE3 LYS 99 2HE LYS 99 6.015 11.553 10.318 843 HZ1 LYS 99 1HZ LYS 99 8.283 10.515 11.910 844 HZ2 LYS 99 2HZ LYS 99 6.697 10.082 12.128 845 HZ3 LYS 99 3HZ LYS 99 7.159 11.636 12.397 846 H ASP 100 H ASP 100 6.405 4.247 8.361 847 HA ASP 100 HA ASP 100 6.923 3.253 11.005 848 HB2 ASP 100 1HB ASP 100 6.373 1.970 8.823 849 HB3 ASP 100 2HB ASP 100 8.060 2.210 8.386 850 H GLU 101 H GLU 101 9.315 2.337 11.305 851 HA GLU 101 HA GLU 101 11.074 4.426 11.917 852 HB2 GLU 101 1HB GLU 101 12.664 2.649 12.428 853 HB3 GLU 101 2HB GLU 101 11.042 2.159 12.926 854 HG2 GLU 101 1HG GLU 101 10.907 0.947 10.609 855 HG3 GLU 101 2HG GLU 101 12.647 1.185 10.530 856 H ASP 102 H ASP 102 10.800 2.531 9.001 857 HA ASP 102 HA ASP 102 13.186 3.727 7.720 858 HB2 ASP 102 1HB ASP 102 11.750 1.212 7.531 859 HB3 ASP 102 2HB ASP 102 11.765 1.968 5.956 860 H GLY 103 H GLY 103 10.303 4.983 8.267 861 HA2 GLY 103 1HA GLY 103 9.000 6.560 7.274 862 HA3 GLY 103 2HA GLY 103 10.342 6.857 6.160 863 H PHE 104 H PHE 104 8.630 3.705 6.346 864 HA PHE 104 HA PHE 104 7.495 4.255 3.643 865 HB2 PHE 104 2HB PHE 104 7.999 2.119 2.939 866 HB3 PHE 104 3HB PHE 104 9.436 2.583 3.808 867 HD1 PHE 104 1HD PHE 104 6.784 0.111 3.524 868 HD2 PHE 104 2HD PHE 104 9.647 1.757 6.287 869 HE1 PHE 104 1HE PHE 104 6.578 -1.890 4.928 870 HE2 PHE 104 2HE PHE 104 9.500 -0.309 7.651 871 HZ PHE 104 HZ PHE 104 7.939 -2.121 6.986 872 H LEU 105 H LEU 105 5.524 2.741 3.173 873 HA LEU 105 HA LEU 105 3.924 2.442 5.675 874 HB2 LEU 105 1HB LEU 105 3.363 4.470 4.208 875 HB3 LEU 105 2HB LEU 105 2.807 3.295 3.015 876 HG LEU 105 HG LEU 105 1.316 2.395 4.983 877 HD11 LEU 105 1HD1 LEU 105 2.405 3.683 6.801 878 HD12 LEU 105 2HD1 LEU 105 0.692 4.051 6.667 879 HD13 LEU 105 3HD1 LEU 105 1.891 5.196 6.031 880 HD21 LEU 105 1HD2 LEU 105 -0.455 3.935 4.440 881 HD22 LEU 105 2HD2 LEU 105 0.443 3.521 2.979 882 HD23 LEU 105 3HD2 LEU 105 0.718 5.101 3.757 883 H TYR 106 H TYR 106 2.843 0.569 5.928 884 HA TYR 106 HA TYR 106 2.900 -1.469 3.769 885 HB2 TYR 106 2HB TYR 106 3.057 -3.098 5.638 886 HB3 TYR 106 3HB TYR 106 4.467 -2.087 5.461 887 HD1 TYR 106 1HD TYR 106 4.985 -0.249 7.130 888 HD2 TYR 106 2HD TYR 106 1.740 -3.043 7.697 889 HE1 TYR 106 1HE TYR 106 4.933 0.282 9.540 890 HE2 TYR 106 2HE TYR 106 1.742 -2.553 10.128 891 HH TYR 106 HH TYR 106 2.557 -0.989 11.813 892 H VAL 107 H VAL 107 0.859 -1.951 3.046 893 HA VAL 107 HA VAL 107 -1.355 -1.786 5.016 894 HB VAL 107 HB VAL 107 -1.203 0.220 3.532 895 HG11 VAL 107 1HG1 VAL 107 -2.104 -1.709 1.367 896 HG12 VAL 107 2HG1 VAL 107 -2.086 0.068 1.257 897 HG13 VAL 107 3HG1 VAL 107 -0.571 -0.828 1.435 898 HG21 VAL 107 1HG2 VAL 107 -3.742 -1.437 3.553 899 HG22 VAL 107 2HG2 VAL 107 -3.208 -0.229 4.714 900 HG23 VAL 107 3HG2 VAL 107 -3.649 0.283 3.089 901 H ALA 108 H ALA 108 -2.998 -3.321 4.817 902 HA ALA 108 HA ALA 108 -2.343 -5.605 3.049 903 HB1 ALA 108 1HB ALA 108 -1.783 -6.188 5.349 904 HB2 ALA 108 2HB ALA 108 -3.371 -5.616 5.910 905 HB3 ALA 108 3HB ALA 108 -3.264 -7.045 4.862 906 H TYR 109 H TYR 109 -4.266 -6.904 2.473 907 HA TYR 109 HA TYR 109 -6.854 -5.605 2.872 908 HB2 TYR 109 2HB TYR 109 -7.479 -5.364 0.614 909 HB3 TYR 109 3HB TYR 109 -5.951 -4.549 0.779 910 HD1 TYR 109 1HD TYR 109 -7.803 -7.122 -0.977 911 HD2 TYR 109 2HD TYR 109 -3.829 -5.745 -0.048 912 HE1 TYR 109 1HE TYR 109 -6.930 -8.300 -2.980 913 HE2 TYR 109 2HE TYR 109 -2.953 -6.931 -2.031 914 HH TYR 109 HH TYR 109 -5.014 -8.930 -4.176 915 H SER 110 H SER 110 -8.681 -6.926 2.147 916 HA SER 110 HA SER 110 -8.184 -9.762 1.616 917 HB2 SER 110 1HB SER 110 -9.705 -10.283 3.666 918 HB3 SER 110 2HB SER 110 -7.999 -9.920 3.939 919 HG SER 110 HG SER 110 -8.842 -8.595 5.340 920 H GLY 111 H GLY 111 -10.264 -10.865 1.216 921 HA2 GLY 111 1HA GLY 111 -12.330 -9.001 0.113 922 HA3 GLY 111 2HA GLY 111 -11.881 -10.523 -0.660 923 H GLU 112 H GLU 112 -12.085 -10.314 2.856 924 HA GLU 112 HA GLU 112 -14.709 -11.638 2.955 925 HB2 GLU 112 1HB GLU 112 -12.132 -12.518 4.324 926 HB3 GLU 112 2HB GLU 112 -13.730 -13.213 4.577 927 HG2 GLU 112 1HG GLU 112 -13.779 -13.847 2.126 928 HG3 GLU 112 2HG GLU 112 -12.119 -13.267 1.968 929 H ASN 113 H ASN 113 -15.875 -10.793 4.583 930 HA ASN 113 HA ASN 113 -14.826 -8.455 6.031 931 HB2 ASN 113 1HB ASN 113 -17.187 -8.572 5.166 932 HB3 ASN 113 2HB ASN 113 -17.499 -9.907 6.280 933 HD21 ASN 113 1HD2 ASN 113 -18.157 -7.690 8.960 934 HD22 ASN 113 2HD2 ASN 113 -18.472 -9.242 8.246 935 H THR 114 H THR 114 -15.374 -11.885 6.609 936 HA THR 114 HA THR 114 -14.877 -11.634 9.512 937 HB THR 114 HB THR 114 -15.691 -14.039 9.449 938 HG1 THR 114 1HG THR 114 -15.644 -14.687 7.389 939 HG21 THR 114 1HG2 THR 114 -17.117 -12.126 10.115 940 HG22 THR 114 2HG2 THR 114 -18.058 -13.375 9.283 941 HG23 THR 114 3HG2 THR 114 -17.609 -11.886 8.429 942 H PHE 115 H PHE 115 -12.819 -11.806 10.052 943 HA PHE 115 HA PHE 115 -11.007 -13.458 8.391 944 HB2 PHE 115 2HB PHE 115 -9.203 -11.870 8.956 945 HB3 PHE 115 3HB PHE 115 -10.460 -11.215 7.933 946 HD1 PHE 115 1HD PHE 115 -9.225 -11.297 11.474 947 HD2 PHE 115 2HD PHE 115 -11.704 -9.267 8.569 948 HE1 PHE 115 1HE PHE 115 -9.531 -9.417 13.035 949 HE2 PHE 115 2HE PHE 115 -12.000 -7.382 10.149 950 HZ PHE 115 HZ PHE 115 -10.919 -7.445 12.391 951 H GLY 116 H GLY 116 -12.681 -13.723 11.032 952 HA2 GLY 116 1HA GLY 116 -10.684 -14.410 13.034 953 HA3 GLY 116 2HA GLY 116 -12.437 -14.664 13.128 954 H1 GLY 330 H GLY 330 28.748 -0.977 0.455 955 HA2 GLY 330 1HA GLY 330 27.438 -2.073 -1.259 956 HA3 GLY 330 2HA GLY 330 27.851 -3.227 0.019 957 H ALA 331 H ALA 331 25.277 -1.179 -1.325 958 HA ALA 331 HA ALA 331 23.244 -2.036 0.506 959 HB1 ALA 331 1HB ALA 331 23.129 0.083 -0.746 960 HB2 ALA 331 2HB ALA 331 23.071 -0.831 -2.277 961 HB3 ALA 331 3HB ALA 331 21.731 -0.942 -1.111 962 H MET 332 H MET 332 21.311 -3.219 -0.149 963 HA MET 332 HA MET 332 21.970 -5.802 -1.269 964 HB2 MET 332 1HB MET 332 19.468 -4.620 -0.012 965 HB3 MET 332 2HB MET 332 19.549 -6.283 -0.637 966 HG2 MET 332 1HG MET 332 21.350 -6.863 0.790 967 HG3 MET 332 2HG MET 332 21.591 -5.204 1.334 968 HE1 MET 332 1HE MET 332 21.846 -6.330 3.712 969 HE2 MET 332 2HE MET 332 20.606 -7.408 4.392 970 HE3 MET 332 3HE MET 332 21.484 -7.874 2.924 971 H GLU 333 H GLU 333 22.535 -4.907 -3.415 972 HA GLU 333 HA GLU 333 20.132 -4.764 -5.199 973 HB2 GLU 333 1HB GLU 333 22.817 -3.415 -5.601 974 HB3 GLU 333 2HB GLU 333 21.438 -3.396 -6.714 975 HG2 GLU 333 1HG GLU 333 20.085 -2.111 -5.207 976 HG3 GLU 333 2HG GLU 333 21.258 -2.271 -3.896 977 H ILE 334 H ILE 334 21.360 -7.174 -4.230 978 HA ILE 334 HA ILE 334 23.221 -8.201 -6.186 979 HB ILE 334 HB ILE 334 21.508 -10.005 -4.517 980 HG12 ILE 334 1HG1 ILE 334 23.619 -9.709 -2.826 981 HG13 ILE 334 2HG1 ILE 334 23.611 -8.083 -3.463 982 HG21 ILE 334 1HG2 ILE 334 23.520 -11.380 -4.397 983 HG22 ILE 334 2HG2 ILE 334 23.128 -11.019 -6.075 984 HG23 ILE 334 3HG2 ILE 334 24.445 -10.138 -5.270 985 HD11 ILE 334 1HD1 ILE 334 21.135 -7.952 -2.728 986 HD12 ILE 334 2HD1 ILE 334 21.377 -9.546 -1.994 987 HD13 ILE 334 3HD1 ILE 334 22.310 -8.158 -1.417 988 H ILE 335 H ILE 335 22.781 -9.655 -7.799 989 HA ILE 335 HA ILE 335 20.316 -9.269 -9.285 990 HB ILE 335 HB ILE 335 22.810 -10.984 -9.658 991 HG12 ILE 335 1HG1 ILE 335 21.803 -8.485 -11.124 992 HG13 ILE 335 2HG1 ILE 335 22.975 -8.455 -9.809 993 HG21 ILE 335 1HG2 ILE 335 20.974 -12.117 -10.891 994 HG22 ILE 335 2HG2 ILE 335 20.614 -10.583 -11.719 995 HG23 ILE 335 3HG2 ILE 335 22.158 -11.435 -11.964 996 HD11 ILE 335 1HD1 ILE 335 24.227 -8.311 -11.796 997 HD12 ILE 335 2HD1 ILE 335 24.468 -9.950 -11.171 998 HD13 ILE 335 3HD1 ILE 335 23.376 -9.674 -12.549 999 H HIS 336 H HIS 336 21.360 -11.566 -6.897 1000 HA HIS 336 HA HIS 336 19.314 -13.553 -7.624 1001 HB2 HIS 336 1HB HIS 336 21.680 -14.164 -6.964 1002 HB3 HIS 336 2HB HIS 336 21.276 -13.624 -5.332 1003 HD1 HIS 336 HD1 HIS 336 20.808 -15.778 -3.937 1004 HD2 HIS 336 HD2 HIS 336 19.289 -15.909 -7.874 1005 HE1 HIS 336 HE1 HIS 336 19.655 -18.005 -4.192 1006 H GLU 337 H GLU 337 17.608 -12.096 -7.393 1007 HA GLU 337 HA GLU 337 16.819 -11.309 -4.638 1008 HB2 GLU 337 1HB GLU 337 15.380 -9.680 -5.748 1009 HB3 GLU 337 2HB GLU 337 17.049 -9.468 -6.275 1010 HG2 GLU 337 1HG GLU 337 16.403 -10.949 -8.333 1011 HG3 GLU 337 2HG GLU 337 14.731 -10.679 -7.826 1012 H ASP 338 H ASP 338 14.784 -12.104 -3.913 1013 HA ASP 338 HA ASP 338 13.762 -14.429 -5.452 1014 HB2 ASP 338 1HB ASP 338 14.503 -14.742 -3.129 1015 HB3 ASP 338 2HB ASP 338 13.336 -13.538 -2.584 1016 H ASN 339 H ASN 339 12.847 -11.272 -4.185 1017 HA ASN 339 HA ASN 339 10.060 -11.543 -5.250 1018 HB2 ASN 339 1HB ASN 339 11.287 -9.665 -3.242 1019 HB3 ASN 339 2HB ASN 339 9.632 -9.541 -3.856 1020 HD21 ASN 339 1HD2 ASN 339 10.411 -12.709 -1.306 1021 HD22 ASN 339 2HD2 ASN 339 11.719 -12.091 -2.282 1022 H GLU 340 H GLU 340 9.487 -10.181 -6.925 1023 HA GLU 340 HA GLU 340 11.454 -8.804 -8.399 1024 HB2 GLU 340 1HB GLU 340 8.576 -9.393 -8.600 1025 HB3 GLU 340 2HB GLU 340 8.955 -7.801 -9.233 1026 HG2 GLU 340 1HG GLU 340 10.748 -8.731 -10.635 1027 HG3 GLU 340 2HG GLU 340 10.389 -10.359 -10.039 1028 H TRP 341 H TRP 341 8.673 -7.299 -6.640 1029 HA TRP 341 HA TRP 341 8.304 -5.223 -5.937 1030 HB2 TRP 341 2HB TRP 341 11.245 -5.219 -5.241 1031 HB3 TRP 341 3HB TRP 341 9.994 -4.155 -4.611 1032 HD1 TRP 341 HD1 TRP 341 11.854 -7.019 -3.584 1033 HE1 TRP 341 1HE TRP 341 10.766 -8.260 -1.583 1034 HE3 TRP 341 3HE TRP 341 7.145 -5.007 -3.887 1035 HZ2 TRP 341 2HZ TRP 341 8.061 -8.678 -0.655 1036 HZ3 TRP 341 3HZ TRP 341 5.327 -5.900 -2.491 1037 HH2 TRP 341 HH2 TRP 341 5.742 -7.755 -0.901 1038 H GLY 342 H GLY 342 8.111 -5.016 -8.550 1039 HA2 GLY 342 1HA GLY 342 10.044 -3.154 -9.719 1040 HA3 GLY 342 2HA GLY 342 8.514 -3.680 -10.428 1041 H ILE 343 H ILE 343 9.778 -0.878 -9.974 1042 HA ILE 343 HA ILE 343 8.032 0.443 -8.058 1043 HB ILE 343 HB ILE 343 9.747 1.703 -10.240 1044 HG12 ILE 343 1HG1 ILE 343 10.471 1.032 -7.350 1045 HG13 ILE 343 2HG1 ILE 343 11.209 0.368 -8.810 1046 HG21 ILE 343 1HG2 ILE 343 8.639 2.856 -7.641 1047 HG22 ILE 343 2HG2 ILE 343 9.581 3.743 -8.871 1048 HG23 ILE 343 3HG2 ILE 343 7.971 3.185 -9.256 1049 HD11 ILE 343 1HD1 ILE 343 11.983 2.727 -9.412 1050 HD12 ILE 343 2HD1 ILE 343 11.485 3.219 -7.777 1051 HD13 ILE 343 3HD1 ILE 343 12.738 1.998 -7.985 1052 H GLU 344 H GLU 344 5.982 1.226 -8.390 1053 HA GLU 344 HA GLU 344 5.102 1.703 -11.171 1054 HB2 GLU 344 1HB GLU 344 4.305 -0.511 -10.449 1055 HB3 GLU 344 2HB GLU 344 3.537 0.221 -9.031 1056 HG2 GLU 344 1HG GLU 344 2.106 1.605 -10.483 1057 HG3 GLU 344 2HG GLU 344 2.941 0.999 -11.920 1058 H LEU 345 H LEU 345 4.190 3.624 -11.421 1059 HA LEU 345 HA LEU 345 3.693 5.370 -9.074 1060 HB2 LEU 345 1HB LEU 345 3.903 5.835 -12.071 1061 HB3 LEU 345 2HB LEU 345 3.337 7.084 -10.974 1062 HG LEU 345 HG LEU 345 5.957 5.691 -10.359 1063 HD11 LEU 345 1HD1 LEU 345 6.099 6.421 -12.768 1064 HD12 LEU 345 2HD1 LEU 345 7.259 7.175 -11.673 1065 HD13 LEU 345 3HD1 LEU 345 5.837 8.085 -12.203 1066 HD21 LEU 345 1HD2 LEU 345 4.913 7.290 -8.743 1067 HD22 LEU 345 2HD2 LEU 345 5.020 8.566 -9.970 1068 HD23 LEU 345 3HD2 LEU 345 6.494 7.827 -9.317 1069 H VAL 346 H VAL 346 1.668 5.476 -8.281 1070 HA VAL 346 HA VAL 346 -0.602 4.559 -9.968 1071 HB VAL 346 HB VAL 346 -0.070 4.215 -6.995 1072 HG11 VAL 346 1HG1 VAL 346 -2.327 3.175 -8.754 1073 HG12 VAL 346 2HG1 VAL 346 -2.059 2.735 -7.051 1074 HG13 VAL 346 3HG1 VAL 346 -2.475 4.402 -7.467 1075 HG21 VAL 346 1HG2 VAL 346 1.399 2.707 -8.115 1076 HG22 VAL 346 2HG2 VAL 346 -0.003 1.751 -7.645 1077 HG23 VAL 346 3HG2 VAL 346 0.170 2.288 -9.325 1078 H SER 347 H SER 347 -2.142 6.160 -10.308 1079 HA SER 347 HA SER 347 -2.825 7.903 -8.211 1080 HB2 SER 347 1HB SER 347 -2.251 10.079 -9.508 1081 HB3 SER 347 2HB SER 347 -1.089 9.296 -8.499 1082 HG SER 347 HG SER 347 -1.109 8.592 -11.222 1083 H GLU 348 H GLU 348 -4.644 9.206 -8.630 1084 HA GLU 348 HA GLU 348 -6.465 8.026 -10.590 1085 HB2 GLU 348 1HB GLU 348 -6.822 8.668 -7.966 1086 HB3 GLU 348 2HB GLU 348 -7.265 10.219 -8.666 1087 HG2 GLU 348 1HG GLU 348 -8.926 9.008 -10.141 1088 HG3 GLU 348 2HG GLU 348 -8.464 7.486 -9.373 Start of MODEL 11 1 H1 MET 1 H MET 1 0.909 -11.786 7.255 2 HA MET 1 HA MET 1 1.320 -13.955 9.219 3 HB2 MET 1 1HB MET 1 0.517 -14.205 6.299 4 HB3 MET 1 2HB MET 1 0.997 -15.554 7.333 5 HG2 MET 1 1HG MET 1 -0.932 -15.368 8.684 6 HG3 MET 1 2HG MET 1 -1.340 -13.782 8.034 7 HE1 MET 1 1HE MET 1 -1.751 -17.645 5.534 8 HE2 MET 1 2HE MET 1 -0.188 -16.938 5.958 9 HE3 MET 1 3HE MET 1 -1.230 -17.641 7.229 10 H GLY 2 H GLY 2 3.371 -12.135 9.100 11 HA2 GLY 2 1HA GLY 2 5.611 -12.186 8.793 12 HA3 GLY 2 2HA GLY 2 5.471 -13.567 7.695 13 H TRP 3 H TRP 3 6.999 -10.982 7.346 14 HA TRP 3 HA TRP 3 5.614 -9.888 4.970 15 HB2 TRP 3 2HB TRP 3 7.730 -8.710 6.780 16 HB3 TRP 3 3HB TRP 3 7.261 -8.033 5.225 17 HD1 TRP 3 HD1 TRP 3 6.803 -7.243 8.527 18 HE1 TRP 3 1HE TRP 3 4.677 -5.875 8.947 19 HE3 TRP 3 3HE TRP 3 4.154 -8.584 4.338 20 HZ2 TRP 3 2HZ TRP 3 2.038 -5.631 7.715 21 HZ3 TRP 3 3HZ TRP 3 1.854 -7.894 4.047 22 HH2 TRP 3 HH2 TRP 3 0.733 -6.365 5.713 23 H MET 4 H MET 4 6.284 -10.625 3.142 24 HA MET 4 HA MET 4 8.512 -12.254 2.723 25 HB2 MET 4 1HB MET 4 6.400 -11.607 1.205 26 HB3 MET 4 2HB MET 4 7.483 -10.392 0.551 27 HG2 MET 4 1HG MET 4 7.655 -12.315 -0.849 28 HG3 MET 4 2HG MET 4 9.149 -12.240 0.092 29 HE1 MET 4 1HE MET 4 8.964 -16.002 -0.112 30 HE2 MET 4 2HE MET 4 8.391 -14.953 -1.428 31 HE3 MET 4 3HE MET 4 9.802 -14.480 -0.460 32 H PHE 5 H PHE 5 8.153 -8.712 2.324 33 HA PHE 5 HA PHE 5 10.804 -8.210 1.410 34 HB2 PHE 5 2HB PHE 5 10.437 -5.881 2.198 35 HB3 PHE 5 3HB PHE 5 9.237 -6.487 1.092 36 HD1 PHE 5 1HD PHE 5 9.833 -5.700 4.717 37 HD2 PHE 5 2HD PHE 5 6.922 -6.419 1.628 38 HE1 PHE 5 1HE PHE 5 8.044 -4.968 6.241 39 HE2 PHE 5 2HE PHE 5 5.117 -5.642 3.160 40 HZ PHE 5 HZ PHE 5 5.678 -4.922 5.470 41 H LYS 6 H LYS 6 9.578 -8.373 4.799 42 HA LYS 6 HA LYS 6 12.076 -7.386 5.842 43 HB2 LYS 6 1HB LYS 6 9.850 -7.312 7.055 44 HB3 LYS 6 2HB LYS 6 10.054 -9.051 7.387 45 HG2 LYS 6 1HG LYS 6 12.133 -8.612 8.592 46 HG3 LYS 6 2HG LYS 6 12.121 -6.916 8.097 47 HD2 LYS 6 1HD LYS 6 10.086 -6.515 9.445 48 HD3 LYS 6 2HD LYS 6 10.069 -8.237 9.922 49 HE2 LYS 6 1HE LYS 6 12.347 -7.979 10.861 50 HE3 LYS 6 2HE LYS 6 12.351 -6.266 10.449 51 HZ1 LYS 6 1HZ LYS 6 11.722 -6.976 12.805 52 HZ2 LYS 6 2HZ LYS 6 10.239 -7.330 12.198 53 HZ3 LYS 6 3HZ LYS 6 10.871 -5.796 12.104 54 H GLU 7 H GLU 7 10.837 -10.624 5.091 55 HA GLU 7 HA GLU 7 12.964 -12.058 6.334 56 HB2 GLU 7 1HB GLU 7 10.647 -12.876 5.489 57 HB3 GLU 7 2HB GLU 7 11.346 -12.866 3.878 58 HG2 GLU 7 1HG GLU 7 11.508 -15.101 4.668 59 HG3 GLU 7 2HG GLU 7 13.145 -14.449 4.724 60 H ASP 8 H ASP 8 12.408 -10.881 2.982 61 HA ASP 8 HA ASP 8 14.889 -11.788 1.945 62 HB2 ASP 8 1HB ASP 8 12.560 -11.005 0.863 63 HB3 ASP 8 2HB ASP 8 13.444 -9.531 0.574 64 H HIS 9 H HIS 9 14.022 -8.230 2.084 65 HA HIS 9 HA HIS 9 16.471 -7.523 3.470 66 HB2 HIS 9 1HB HIS 9 17.139 -6.022 1.451 67 HB3 HIS 9 2HB HIS 9 17.547 -7.727 1.371 68 HD1 HIS 9 HD1 HIS 9 14.963 -5.306 -0.151 69 HD2 HIS 9 HD2 HIS 9 16.344 -9.256 -0.417 70 HE1 HIS 9 HE1 HIS 9 13.632 -6.397 -1.978 71 H SER 10 H SER 10 15.958 -5.621 4.628 72 HA SER 10 HA SER 10 13.704 -3.996 3.583 73 HB2 SER 10 1HB SER 10 12.852 -5.495 5.275 74 HB3 SER 10 2HB SER 10 14.105 -4.999 6.416 75 HG SER 10 HG SER 10 13.190 -2.833 6.207 76 H LEU 11 H LEU 11 16.293 -3.756 6.115 77 HA LEU 11 HA LEU 11 15.982 -0.945 6.314 78 HB2 LEU 11 1HB LEU 11 18.429 -2.653 6.848 79 HB3 LEU 11 2HB LEU 11 18.238 -0.968 7.352 80 HG LEU 11 HG LEU 11 16.379 -3.235 8.222 81 HD11 LEU 11 1HD1 LEU 11 18.709 -1.915 9.632 82 HD12 LEU 11 2HD1 LEU 11 18.606 -3.583 9.077 83 HD13 LEU 11 3HD1 LEU 11 17.549 -3.036 10.396 84 HD21 LEU 11 1HD2 LEU 11 15.241 -1.050 8.339 85 HD22 LEU 11 2HD2 LEU 11 16.622 -0.355 9.192 86 HD23 LEU 11 3HD2 LEU 11 15.629 -1.615 9.959 87 H GLU 12 H GLU 12 18.544 -2.603 4.398 88 HA GLU 12 HA GLU 12 19.535 -0.116 3.350 89 HB2 GLU 12 1HB GLU 12 20.644 -1.522 1.620 90 HB3 GLU 12 2HB GLU 12 20.984 -1.976 3.282 91 HG2 GLU 12 1HG GLU 12 18.715 -3.553 2.241 92 HG3 GLU 12 2HG GLU 12 20.131 -3.655 1.200 93 H HIS 13 H HIS 13 17.436 -2.547 1.942 94 HA HIS 13 HA HIS 13 16.727 -1.477 -0.504 95 HB2 HIS 13 1HB HIS 13 16.250 -3.723 0.318 96 HB3 HIS 13 2HB HIS 13 15.115 -3.093 1.496 97 HD1 HIS 13 HD1 HIS 13 15.422 -3.348 -2.378 98 HD2 HIS 13 HD2 HIS 13 12.705 -3.133 0.804 99 HE1 HIS 13 HE1 HIS 13 13.151 -3.837 -3.388 100 H ARG 14 H ARG 14 15.204 -0.779 2.702 101 HA ARG 14 HA ARG 14 13.210 0.921 1.569 102 HB2 ARG 14 1HB ARG 14 14.251 0.513 4.378 103 HB3 ARG 14 2HB ARG 14 13.225 1.886 4.011 104 HG2 ARG 14 1HG ARG 14 12.155 -0.264 4.946 105 HG3 ARG 14 2HG ARG 14 11.334 0.714 3.746 106 HD2 ARG 14 1HD ARG 14 12.958 -1.467 2.547 107 HD3 ARG 14 2HD ARG 14 11.757 -2.022 3.648 108 HE ARG 14 HE ARG 14 10.980 -0.055 1.576 109 HH11 ARG 14 1HH1 ARG 14 10.535 -3.400 2.841 110 HH12 ARG 14 2HH1 ARG 14 9.719 -3.909 1.387 111 HH21 ARG 14 1HH2 ARG 14 9.619 -0.740 -0.099 112 HH22 ARG 14 2HH2 ARG 14 9.123 -2.444 -0.166 113 H CYS 15 H CYS 15 16.357 1.664 3.177 114 HA CYS 15 HA CYS 15 16.147 4.474 2.966 115 HB2 CYS 15 2HB CYS 15 18.586 2.654 3.026 116 HB3 CYS 15 3HB CYS 15 18.631 4.415 3.200 117 HG CYS 15 HG CYS 15 17.024 2.190 5.113 118 H VAL 16 H VAL 16 17.733 2.176 0.663 119 HA VAL 16 HA VAL 16 18.698 4.225 -1.100 120 HB VAL 16 HB VAL 16 18.133 1.257 -1.464 121 HG11 VAL 16 1HG1 VAL 16 19.654 1.389 -3.441 122 HG12 VAL 16 2HG1 VAL 16 18.132 2.238 -3.699 123 HG13 VAL 16 3HG1 VAL 16 19.606 3.163 -3.336 124 HG21 VAL 16 1HG2 VAL 16 19.902 1.793 0.195 125 HG22 VAL 16 2HG2 VAL 16 20.592 1.059 -1.244 126 HG23 VAL 16 3HG2 VAL 16 20.722 2.815 -1.004 127 H GLU 17 H GLU 17 15.753 2.122 -1.203 128 HA GLU 17 HA GLU 17 14.786 3.300 -3.595 129 HB2 GLU 17 1HB GLU 17 13.397 1.763 -1.381 130 HB3 GLU 17 2HB GLU 17 12.673 2.120 -2.936 131 HG2 GLU 17 1HG GLU 17 15.429 0.823 -3.011 132 HG3 GLU 17 2HG GLU 17 14.087 -0.163 -2.501 133 H SER 18 H SER 18 14.077 4.154 -0.108 134 HA SER 18 HA SER 18 12.017 5.979 -0.787 135 HB2 SER 18 1HB SER 18 12.418 7.008 1.405 136 HB3 SER 18 2HB SER 18 12.259 5.246 1.479 137 HG SER 18 HG SER 18 13.983 5.385 2.605 138 H ALA 19 H ALA 19 15.590 6.447 -0.434 139 HA ALA 19 HA ALA 19 15.574 9.208 -0.980 140 HB1 ALA 19 1HB ALA 19 17.562 8.039 -0.210 141 HB2 ALA 19 2HB ALA 19 17.667 7.126 -1.739 142 HB3 ALA 19 3HB ALA 19 17.915 8.879 -1.728 143 H LYS 20 H LYS 20 15.801 6.498 -3.400 144 HA LYS 20 HA LYS 20 15.925 8.248 -5.674 145 HB2 LYS 20 1HB LYS 20 14.869 5.389 -5.505 146 HB3 LYS 20 2HB LYS 20 15.110 6.309 -6.994 147 HG2 LYS 20 1HG LYS 20 17.558 6.652 -6.156 148 HG3 LYS 20 2HG LYS 20 17.219 5.311 -5.063 149 HD2 LYS 20 1HD LYS 20 17.096 5.291 -8.111 150 HD3 LYS 20 2HD LYS 20 18.307 4.522 -7.082 151 HE2 LYS 20 1HE LYS 20 16.485 3.053 -6.119 152 HE3 LYS 20 2HE LYS 20 15.356 3.778 -7.275 153 HZ1 LYS 20 1HZ LYS 20 17.726 2.144 -7.896 154 HZ2 LYS 20 2HZ LYS 20 16.849 2.954 -9.057 155 HZ3 LYS 20 3HZ LYS 20 16.168 1.767 -8.132 156 H ILE 21 H ILE 21 13.111 6.721 -4.058 157 HA ILE 21 HA ILE 21 11.152 7.746 -5.852 158 HB ILE 21 HB ILE 21 11.084 6.878 -2.963 159 HG12 ILE 21 1HG1 ILE 21 9.947 5.411 -5.397 160 HG13 ILE 21 2HG1 ILE 21 11.616 5.205 -4.918 161 HG21 ILE 21 1HG2 ILE 21 9.134 8.341 -3.285 162 HG22 ILE 21 2HG2 ILE 21 8.624 7.366 -4.671 163 HG23 ILE 21 3HG2 ILE 21 8.651 6.676 -3.033 164 HD11 ILE 21 1HD1 ILE 21 10.875 4.397 -2.663 165 HD12 ILE 21 2HD1 ILE 21 9.202 4.471 -3.239 166 HD13 ILE 21 3HD1 ILE 21 10.351 3.376 -4.019 167 H ARG 22 H ARG 22 12.538 9.132 -2.801 168 HA ARG 22 HA ARG 22 10.822 11.424 -2.690 169 HB2 ARG 22 1HB ARG 22 13.585 10.801 -1.595 170 HB3 ARG 22 2HB ARG 22 12.750 12.309 -1.286 171 HG2 ARG 22 1HG ARG 22 11.074 9.883 -0.757 172 HG3 ARG 22 2HG ARG 22 12.525 9.958 0.220 173 HD2 ARG 22 1HD ARG 22 10.406 12.118 0.048 174 HD3 ARG 22 2HD ARG 22 10.637 10.989 1.388 175 HE ARG 22 HE ARG 22 12.343 13.258 0.562 176 HH11 ARG 22 1HH1 ARG 22 11.937 10.633 3.002 177 HH12 ARG 22 2HH1 ARG 22 12.987 11.448 4.118 178 HH21 ARG 22 1HH2 ARG 22 14.060 13.952 1.995 179 HH22 ARG 22 2HH2 ARG 22 14.148 13.251 3.582 180 H ALA 23 H ALA 23 14.030 10.871 -4.242 181 HA ALA 23 HA ALA 23 14.296 13.618 -5.025 182 HB1 ALA 23 1HB ALA 23 16.034 12.785 -6.587 183 HB2 ALA 23 2HB ALA 23 16.241 12.166 -4.939 184 HB3 ALA 23 3HB ALA 23 15.563 11.115 -6.215 185 H LYS 24 H LYS 24 13.070 10.727 -6.821 186 HA LYS 24 HA LYS 24 12.420 12.415 -9.126 187 HB2 LYS 24 1HB LYS 24 11.847 9.484 -8.527 188 HB3 LYS 24 2HB LYS 24 11.350 10.324 -10.008 189 HG2 LYS 24 1HG LYS 24 13.782 11.049 -10.279 190 HG3 LYS 24 2HG LYS 24 14.202 9.887 -9.024 191 HD2 LYS 24 1HD LYS 24 12.783 9.201 -11.646 192 HD3 LYS 24 2HD LYS 24 14.518 9.081 -11.374 193 HE2 LYS 24 1HE LYS 24 13.978 7.558 -9.380 194 HE3 LYS 24 2HE LYS 24 12.321 7.481 -10.004 195 HZ1 LYS 24 1HZ LYS 24 13.203 6.523 -12.041 196 HZ2 LYS 24 2HZ LYS 24 13.724 5.661 -10.737 197 HZ3 LYS 24 3HZ LYS 24 14.763 6.682 -11.476 198 H TYR 25 H TYR 25 10.555 11.162 -6.367 199 HA TYR 25 HA TYR 25 8.267 12.799 -7.259 200 HB2 TYR 25 2HB TYR 25 7.733 10.135 -6.015 201 HB3 TYR 25 3HB TYR 25 6.761 11.105 -7.102 202 HD1 TYR 25 1HD TYR 25 9.077 8.389 -6.672 203 HD2 TYR 25 2HD TYR 25 7.522 11.101 -9.643 204 HE1 TYR 25 1HE TYR 25 9.969 6.927 -8.443 205 HE2 TYR 25 2HE TYR 25 8.439 9.665 -11.429 206 HH TYR 25 HH TYR 25 9.886 7.923 -11.865 207 HA PRO 26 HA PRO 26 9.458 13.607 -2.840 208 HB2 PRO 26 2HB PRO 26 8.950 16.314 -2.820 209 HB3 PRO 26 3HB PRO 26 10.485 15.584 -3.377 210 HG2 PRO 26 2HG PRO 26 8.121 16.486 -5.054 211 HG3 PRO 26 3HG PRO 26 9.862 16.792 -5.337 212 HD2 PRO 26 2HD PRO 26 8.514 14.807 -6.608 213 HD3 PRO 26 3HD PRO 26 10.230 14.600 -6.118 214 H ASP 27 H ASP 27 6.603 14.581 -4.690 215 HA ASP 27 HA ASP 27 4.889 14.892 -2.334 216 HB2 ASP 27 1HB ASP 27 4.367 14.852 -5.342 217 HB3 ASP 27 2HB ASP 27 3.123 15.187 -4.137 218 H ARG 28 H ARG 28 6.186 12.077 -3.427 219 HA ARG 28 HA ARG 28 3.563 10.662 -3.157 220 HB2 ARG 28 1HB ARG 28 5.913 9.775 -4.859 221 HB3 ARG 28 2HB ARG 28 4.448 8.842 -4.546 222 HG2 ARG 28 1HG ARG 28 3.077 10.652 -5.556 223 HG3 ARG 28 2HG ARG 28 4.549 11.531 -5.979 224 HD2 ARG 28 1HD ARG 28 5.223 9.665 -7.474 225 HD3 ARG 28 2HD ARG 28 3.869 8.705 -6.892 226 HE ARG 28 HE ARG 28 2.480 9.719 -8.295 227 HH11 ARG 28 1HH1 ARG 28 5.323 11.908 -8.021 228 HH12 ARG 28 2HH1 ARG 28 4.734 13.000 -9.197 229 HH21 ARG 28 1HH2 ARG 28 1.766 11.329 -9.998 230 HH22 ARG 28 2HH2 ARG 28 2.794 12.695 -10.222 231 H VAL 29 H VAL 29 3.543 8.698 -2.028 232 HA VAL 29 HA VAL 29 5.849 8.343 -0.206 233 HB VAL 29 HB VAL 29 4.228 7.818 1.576 234 HG11 VAL 29 1HG1 VAL 29 3.276 10.109 1.797 235 HG12 VAL 29 2HG1 VAL 29 5.004 10.077 1.418 236 HG13 VAL 29 3HG1 VAL 29 3.830 10.497 0.178 237 HG21 VAL 29 1HG2 VAL 29 2.201 8.059 -0.555 238 HG22 VAL 29 2HG2 VAL 29 2.449 6.783 0.638 239 HG23 VAL 29 3HG2 VAL 29 1.809 8.356 1.150 240 HA PRO 30 HA PRO 30 5.871 4.202 -1.837 241 HB2 PRO 30 2HB PRO 30 7.676 3.038 -0.169 242 HB3 PRO 30 3HB PRO 30 8.134 4.356 -1.293 243 HG2 PRO 30 2HG PRO 30 7.552 4.551 1.665 244 HG3 PRO 30 3HG PRO 30 8.871 5.310 0.730 245 HD2 PRO 30 2HD PRO 30 6.481 6.567 1.403 246 HD3 PRO 30 3HD PRO 30 7.500 7.016 0.011 247 H VAL 31 H VAL 31 4.165 2.863 -1.643 248 HA VAL 31 HA VAL 31 3.389 1.848 1.027 249 HB VAL 31 HB VAL 31 1.715 2.355 -1.451 250 HG11 VAL 31 1HG1 VAL 31 -0.226 1.926 0.110 251 HG12 VAL 31 2HG1 VAL 31 0.764 0.499 -0.209 252 HG13 VAL 31 3HG1 VAL 31 0.943 1.370 1.327 253 HG21 VAL 31 1HG2 VAL 31 2.280 4.498 -0.434 254 HG22 VAL 31 2HG2 VAL 31 0.591 4.124 -0.107 255 HG23 VAL 31 3HG2 VAL 31 1.798 3.913 1.169 256 H ILE 32 H ILE 32 3.124 -0.326 1.219 257 HA ILE 32 HA ILE 32 3.736 -2.091 -1.102 258 HB ILE 32 HB ILE 32 4.450 -2.443 1.844 259 HG12 ILE 32 1HG1 ILE 32 5.972 -0.839 0.816 260 HG13 ILE 32 2HG1 ILE 32 6.799 -2.354 1.129 261 HG21 ILE 32 1HG2 ILE 32 3.936 -4.603 0.969 262 HG22 ILE 32 2HG2 ILE 32 4.771 -4.266 -0.563 263 HG23 ILE 32 3HG2 ILE 32 5.701 -4.472 0.929 264 HD11 ILE 32 1HD1 ILE 32 6.658 -2.961 -1.274 265 HD12 ILE 32 2HD1 ILE 32 5.743 -1.479 -1.597 266 HD13 ILE 32 3HD1 ILE 32 7.412 -1.365 -1.075 267 H VAL 33 H VAL 33 2.217 -3.699 -1.456 268 HA VAL 33 HA VAL 33 -0.030 -3.838 0.467 269 HB VAL 33 HB VAL 33 -0.828 -2.457 -1.269 270 HG11 VAL 33 1HG1 VAL 33 -0.819 -3.039 -3.666 271 HG12 VAL 33 2HG1 VAL 33 0.829 -2.846 -3.042 272 HG13 VAL 33 3HG1 VAL 33 0.167 -4.460 -3.311 273 HG21 VAL 33 1HG2 VAL 33 -1.790 -5.255 -1.952 274 HG22 VAL 33 2HG2 VAL 33 -2.318 -4.319 -0.552 275 HG23 VAL 33 3HG2 VAL 33 -2.649 -3.744 -2.228 276 H GLU 34 H GLU 34 -0.673 -5.878 1.024 277 HA GLU 34 HA GLU 34 0.250 -8.158 -0.643 278 HB2 GLU 34 1HB GLU 34 0.594 -7.695 2.335 279 HB3 GLU 34 2HB GLU 34 0.657 -9.310 1.635 280 HG2 GLU 34 1HG GLU 34 2.535 -7.096 0.690 281 HG3 GLU 34 2HG GLU 34 2.893 -8.124 2.067 282 H LYS 35 H LYS 35 -1.188 -9.884 -0.629 283 HA LYS 35 HA LYS 35 -3.935 -9.234 0.214 284 HB2 LYS 35 1HB LYS 35 -3.341 -10.322 -2.006 285 HB3 LYS 35 2HB LYS 35 -2.814 -11.754 -1.143 286 HG2 LYS 35 1HG LYS 35 -5.537 -10.851 -0.370 287 HG3 LYS 35 2HG LYS 35 -5.407 -11.177 -2.084 288 HD2 LYS 35 1HD LYS 35 -4.387 -13.266 -0.139 289 HD3 LYS 35 2HD LYS 35 -6.127 -13.054 -0.391 290 HE2 LYS 35 1HE LYS 35 -5.762 -13.287 -2.852 291 HE3 LYS 35 2HE LYS 35 -4.071 -13.736 -2.513 292 HZ1 LYS 35 1HZ LYS 35 -6.478 -15.179 -1.575 293 HZ2 LYS 35 2HZ LYS 35 -4.904 -15.664 -1.320 294 HZ3 LYS 35 3HZ LYS 35 -5.548 -15.631 -2.829 295 H VAL 36 H VAL 36 -5.051 -10.386 1.882 296 HA VAL 36 HA VAL 36 -3.352 -11.611 3.913 297 HB VAL 36 HB VAL 36 -6.351 -11.170 3.695 298 HG11 VAL 36 1HG1 VAL 36 -6.465 -11.845 6.094 299 HG12 VAL 36 2HG1 VAL 36 -6.003 -13.192 5.052 300 HG13 VAL 36 3HG1 VAL 36 -4.766 -12.359 6.022 301 HG21 VAL 36 1HG2 VAL 36 -4.936 -9.132 4.105 302 HG22 VAL 36 2HG2 VAL 36 -5.953 -9.525 5.499 303 HG23 VAL 36 3HG2 VAL 36 -4.230 -9.935 5.520 304 H SER 37 H SER 37 -2.574 -13.601 3.452 305 HA SER 37 HA SER 37 -3.489 -15.264 1.386 306 HB2 SER 37 1HB SER 37 -2.000 -16.186 3.850 307 HB3 SER 37 2HB SER 37 -1.912 -16.846 2.217 308 HG SER 37 HG SER 37 -1.028 -14.737 1.597 309 H GLY 38 H GLY 38 -5.006 -16.816 1.257 310 HA2 GLY 38 1HA GLY 38 -6.440 -18.507 2.146 311 HA3 GLY 38 2HA GLY 38 -6.558 -17.641 3.666 312 H SER 39 H SER 39 -6.908 -15.021 1.777 313 HA SER 39 HA SER 39 -9.827 -15.272 1.820 314 HB2 SER 39 1HB SER 39 -7.973 -13.032 0.925 315 HB3 SER 39 2HB SER 39 -9.731 -12.906 1.143 316 HG SER 39 HG SER 39 -8.547 -13.923 3.380 317 H GLN 40 H GLN 40 -11.159 -15.579 -0.020 318 HA GLN 40 HA GLN 40 -10.019 -16.713 -2.375 319 HB2 GLN 40 1HB GLN 40 -12.794 -15.585 -1.837 320 HB3 GLN 40 2HB GLN 40 -12.353 -16.472 -3.285 321 HG2 GLN 40 1HG GLN 40 -11.984 -18.504 -2.112 322 HG3 GLN 40 2HG GLN 40 -12.158 -17.718 -0.530 323 HE21 GLN 40 1HE2 GLN 40 -15.712 -17.885 -0.632 324 HE22 GLN 40 2HE2 GLN 40 -14.239 -17.744 0.338 325 H ILE 41 H ILE 41 -10.209 -13.423 -1.516 326 HA ILE 41 HA ILE 41 -10.870 -12.225 -4.019 327 HB ILE 41 HB ILE 41 -10.927 -11.020 -1.882 328 HG12 ILE 41 1HG1 ILE 41 -9.803 -8.913 -2.450 329 HG13 ILE 41 2HG1 ILE 41 -8.908 -9.699 -3.739 330 HG21 ILE 41 1HG2 ILE 41 -8.907 -12.027 -0.815 331 HG22 ILE 41 2HG2 ILE 41 -7.871 -11.120 -1.920 332 HG23 ILE 41 3HG2 ILE 41 -8.871 -10.261 -0.741 333 HD11 ILE 41 1HD1 ILE 41 -11.044 -10.161 -4.927 334 HD12 ILE 41 2HD1 ILE 41 -11.936 -9.426 -3.572 335 HD13 ILE 41 3HD1 ILE 41 -10.833 -8.437 -4.557 336 H VAL 42 H VAL 42 -9.452 -11.212 -5.531 337 HA VAL 42 HA VAL 42 -7.442 -12.861 -6.534 338 HB VAL 42 HB VAL 42 -6.978 -10.890 -8.036 339 HG11 VAL 42 1HG1 VAL 42 -8.775 -12.491 -8.593 340 HG12 VAL 42 2HG1 VAL 42 -9.951 -11.516 -7.687 341 HG13 VAL 42 3HG1 VAL 42 -9.165 -10.863 -9.142 342 HG21 VAL 42 1HG2 VAL 42 -9.136 -9.477 -6.394 343 HG22 VAL 42 2HG2 VAL 42 -7.406 -9.063 -6.475 344 HG23 VAL 42 3HG2 VAL 42 -8.428 -8.929 -7.913 345 H ASP 43 H ASP 43 -5.214 -12.698 -6.610 346 HA ASP 43 HA ASP 43 -3.871 -11.656 -4.255 347 HB2 ASP 43 1HB ASP 43 -2.006 -12.984 -5.156 348 HB3 ASP 43 2HB ASP 43 -3.490 -13.938 -5.107 349 H ILE 44 H ILE 44 -1.617 -10.686 -4.594 350 HA ILE 44 HA ILE 44 -1.547 -8.752 -6.811 351 HB ILE 44 HB ILE 44 -2.422 -7.809 -4.588 352 HG12 ILE 44 1HG1 ILE 44 -0.882 -5.752 -4.754 353 HG13 ILE 44 2HG1 ILE 44 -0.134 -6.566 -6.119 354 HG21 ILE 44 1HG2 ILE 44 -0.829 -7.193 -2.867 355 HG22 ILE 44 2HG2 ILE 44 -0.876 -8.951 -3.062 356 HG23 ILE 44 3HG2 ILE 44 0.482 -8.012 -3.722 357 HD11 ILE 44 1HD1 ILE 44 -3.105 -5.912 -5.781 358 HD12 ILE 44 2HD1 ILE 44 -1.971 -5.033 -6.807 359 HD13 ILE 44 3HD1 ILE 44 -2.395 -6.708 -7.204 360 H ASP 45 H ASP 45 0.550 -8.171 -7.517 361 HA ASP 45 HA ASP 45 2.601 -10.225 -7.067 362 HB2 ASP 45 1HB ASP 45 2.396 -7.777 -8.883 363 HB3 ASP 45 2HB ASP 45 3.857 -8.752 -8.755 364 H LYS 46 H LYS 46 4.909 -9.489 -6.626 365 HA LYS 46 HA LYS 46 4.933 -7.659 -4.320 366 HB2 LYS 46 1HB LYS 46 6.889 -9.633 -5.494 367 HB3 LYS 46 2HB LYS 46 7.524 -8.244 -4.598 368 HG2 LYS 46 1HG LYS 46 7.265 -9.756 -2.886 369 HG3 LYS 46 2HG LYS 46 5.820 -8.794 -2.770 370 HD2 LYS 46 1HD LYS 46 4.587 -10.615 -4.077 371 HD3 LYS 46 2HD LYS 46 6.064 -11.598 -3.890 372 HE2 LYS 46 1HE LYS 46 5.893 -11.087 -1.374 373 HE3 LYS 46 2HE LYS 46 4.299 -10.396 -1.705 374 HZ1 LYS 46 1HZ LYS 46 3.797 -12.652 -2.711 375 HZ2 LYS 46 2HZ LYS 46 3.970 -12.619 -1.053 376 HZ3 LYS 46 3HZ LYS 46 5.172 -13.182 -2.055 377 H ARG 47 H ARG 47 4.500 -5.624 -4.988 378 HA ARG 47 HA ARG 47 6.539 -4.367 -6.757 379 HB2 ARG 47 1HB ARG 47 3.558 -3.910 -6.840 380 HB3 ARG 47 2HB ARG 47 4.744 -3.054 -7.809 381 HG2 ARG 47 1HG ARG 47 4.147 -6.051 -8.002 382 HG3 ARG 47 2HG ARG 47 3.493 -4.788 -9.000 383 HD2 ARG 47 1HD ARG 47 6.294 -4.476 -9.221 384 HD3 ARG 47 2HD ARG 47 5.960 -6.217 -9.331 385 HE ARG 47 HE ARG 47 4.438 -4.189 -10.899 386 HH11 ARG 47 1HH1 ARG 47 6.492 -7.115 -11.073 387 HH12 ARG 47 2HH1 ARG 47 5.935 -7.593 -12.615 388 HH21 ARG 47 1HH2 ARG 47 3.825 -4.676 -12.991 389 HH22 ARG 47 2HH2 ARG 47 4.453 -6.046 -13.817 390 H LYS 48 H LYS 48 6.411 -1.990 -6.529 391 HA LYS 48 HA LYS 48 5.971 -1.128 -3.701 392 HB2 LYS 48 1HB LYS 48 8.066 -0.008 -5.587 393 HB3 LYS 48 2HB LYS 48 7.875 0.313 -3.864 394 HG2 LYS 48 1HG LYS 48 8.483 -2.081 -3.394 395 HG3 LYS 48 2HG LYS 48 8.598 -2.369 -5.130 396 HD2 LYS 48 1HD LYS 48 10.825 -2.044 -4.441 397 HD3 LYS 48 2HD LYS 48 10.379 -0.577 -5.268 398 HE2 LYS 48 1HE LYS 48 10.702 0.675 -3.424 399 HE3 LYS 48 2HE LYS 48 9.678 -0.392 -2.432 400 HZ1 LYS 48 1HZ LYS 48 11.604 -1.864 -2.163 401 HZ2 LYS 48 2HZ LYS 48 12.039 -0.329 -1.724 402 HZ3 LYS 48 3HZ LYS 48 12.449 -0.928 -3.201 403 H TYR 49 H TYR 49 4.017 -0.215 -3.875 404 HA TYR 49 HA TYR 49 3.222 1.318 -6.241 405 HB2 TYR 49 2HB TYR 49 2.011 0.299 -3.647 406 HB3 TYR 49 3HB TYR 49 1.177 1.420 -4.667 407 HD1 TYR 49 1HD TYR 49 2.487 -2.101 -4.642 408 HD2 TYR 49 2HD TYR 49 0.130 0.901 -6.655 409 HE1 TYR 49 1HE TYR 49 1.451 -3.853 -6.034 410 HE2 TYR 49 2HE TYR 49 -0.850 -0.866 -8.126 411 HH TYR 49 HH TYR 49 0.051 -4.317 -7.927 412 H LEU 50 H LEU 50 3.105 3.553 -6.327 413 HA LEU 50 HA LEU 50 4.027 5.110 -3.925 414 HB2 LEU 50 1HB LEU 50 4.405 5.952 -6.818 415 HB3 LEU 50 2HB LEU 50 5.052 6.697 -5.372 416 HG LEU 50 HG LEU 50 5.898 4.039 -6.605 417 HD11 LEU 50 1HD1 LEU 50 7.158 6.810 -6.403 418 HD12 LEU 50 2HD1 LEU 50 6.640 5.963 -7.870 419 HD13 LEU 50 3HD1 LEU 50 8.032 5.371 -6.952 420 HD21 LEU 50 1HD2 LEU 50 6.953 5.447 -4.116 421 HD22 LEU 50 2HD2 LEU 50 7.724 4.061 -4.938 422 HD23 LEU 50 3HD2 LEU 50 6.143 3.871 -4.176 423 H VAL 51 H VAL 51 2.330 6.411 -3.110 424 HA VAL 51 HA VAL 51 0.282 7.289 -5.105 425 HB VAL 51 HB VAL 51 -1.148 7.590 -3.135 426 HG11 VAL 51 1HG1 VAL 51 -1.806 5.308 -2.935 427 HG12 VAL 51 2HG1 VAL 51 -1.160 5.524 -4.573 428 HG13 VAL 51 3HG1 VAL 51 -0.149 4.786 -3.298 429 HG21 VAL 51 1HG2 VAL 51 0.162 7.746 -1.209 430 HG22 VAL 51 2HG2 VAL 51 -0.599 6.160 -1.085 431 HG23 VAL 51 3HG2 VAL 51 1.082 6.264 -1.590 432 HA PRO 52 HA PRO 52 1.675 11.437 -4.176 433 HB2 PRO 52 2HB PRO 52 -0.353 12.967 -5.177 434 HB3 PRO 52 3HB PRO 52 0.823 12.103 -6.228 435 HG2 PRO 52 2HG PRO 52 -1.983 11.327 -5.493 436 HG3 PRO 52 3HG PRO 52 -1.210 11.203 -7.032 437 HD2 PRO 52 2HD PRO 52 -1.436 9.059 -5.254 438 HD3 PRO 52 3HD PRO 52 -0.119 9.201 -6.430 439 H SER 53 H SER 53 1.447 12.848 -2.393 440 HA SER 53 HA SER 53 -0.315 12.136 -0.320 441 HB2 SER 53 1HB SER 53 0.519 14.428 0.611 442 HB3 SER 53 2HB SER 53 1.611 13.048 0.453 443 HG SER 53 HG SER 53 1.864 15.462 -0.566 444 H ASP 54 H ASP 54 -0.948 13.905 -3.016 445 HA ASP 54 HA ASP 54 -2.889 15.829 -2.155 446 HB2 ASP 54 1HB ASP 54 -2.131 14.554 -4.820 447 HB3 ASP 54 2HB ASP 54 -3.437 15.726 -4.687 448 H ILE 55 H ILE 55 -3.171 12.374 -3.227 449 HA ILE 55 HA ILE 55 -6.111 12.677 -3.409 450 HB ILE 55 HB ILE 55 -6.097 10.302 -3.941 451 HG12 ILE 55 1HG1 ILE 55 -3.225 10.014 -4.453 452 HG13 ILE 55 2HG1 ILE 55 -3.568 10.132 -2.745 453 HG21 ILE 55 1HG2 ILE 55 -6.036 11.871 -5.720 454 HG22 ILE 55 2HG2 ILE 55 -4.261 11.981 -5.659 455 HG23 ILE 55 3HG2 ILE 55 -5.055 10.471 -6.161 456 HD11 ILE 55 1HD1 ILE 55 -3.594 7.803 -3.549 457 HD12 ILE 55 2HD1 ILE 55 -5.191 8.293 -2.947 458 HD13 ILE 55 3HD1 ILE 55 -4.895 8.199 -4.699 459 H THR 56 H THR 56 -7.562 11.086 -2.224 460 HA THR 56 HA THR 56 -6.724 10.897 0.601 461 HB THR 56 HB THR 56 -9.176 10.568 0.991 462 HG1 THR 56 1HG THR 56 -10.580 10.908 -0.758 463 HG21 THR 56 1HG2 THR 56 -8.309 12.782 1.268 464 HG22 THR 56 2HG2 THR 56 -9.885 12.878 0.480 465 HG23 THR 56 3HG2 THR 56 -8.401 13.109 -0.473 466 H VAL 57 H VAL 57 -7.662 9.060 1.834 467 HA VAL 57 HA VAL 57 -6.617 6.578 0.923 468 HB VAL 57 HB VAL 57 -8.716 7.202 3.026 469 HG11 VAL 57 1HG1 VAL 57 -8.150 5.050 4.074 470 HG12 VAL 57 2HG1 VAL 57 -8.815 4.798 2.461 471 HG13 VAL 57 3HG1 VAL 57 -7.061 4.663 2.722 472 HG21 VAL 57 1HG2 VAL 57 -5.739 6.685 3.392 473 HG22 VAL 57 2HG2 VAL 57 -6.496 8.288 3.454 474 HG23 VAL 57 3HG2 VAL 57 -6.918 7.077 4.658 475 H ALA 58 H ALA 58 -9.862 8.037 0.632 476 HA ALA 58 HA ALA 58 -11.231 5.764 -0.361 477 HB1 ALA 58 1HB ALA 58 -12.288 7.915 0.409 478 HB2 ALA 58 2HB ALA 58 -11.688 8.706 -1.057 479 HB3 ALA 58 3HB ALA 58 -12.860 7.380 -1.184 480 H GLN 59 H GLN 59 -9.431 8.408 -2.171 481 HA GLN 59 HA GLN 59 -10.031 7.329 -4.730 482 HB2 GLN 59 1HB GLN 59 -7.849 9.159 -3.627 483 HB3 GLN 59 2HB GLN 59 -8.022 8.810 -5.351 484 HG2 GLN 59 1HG GLN 59 -10.039 10.222 -3.552 485 HG3 GLN 59 2HG GLN 59 -9.093 10.934 -4.868 486 HE21 GLN 59 1HE2 GLN 59 -10.986 9.194 -7.471 487 HE22 GLN 59 2HE2 GLN 59 -9.393 9.821 -7.028 488 H PHE 60 H PHE 60 -7.207 6.969 -2.513 489 HA PHE 60 HA PHE 60 -5.660 5.382 -4.264 490 HB2 PHE 60 2HB PHE 60 -4.647 6.184 -2.222 491 HB3 PHE 60 3HB PHE 60 -5.904 5.448 -1.241 492 HD1 PHE 60 1HD PHE 60 -4.584 4.117 0.226 493 HD2 PHE 60 2HD PHE 60 -4.022 3.773 -4.050 494 HE1 PHE 60 1HE PHE 60 -3.231 2.072 0.552 495 HE2 PHE 60 2HE PHE 60 -2.746 1.701 -3.701 496 HZ PHE 60 HZ PHE 60 -2.326 0.846 -1.393 497 H MET 61 H MET 61 -7.896 4.304 -1.678 498 HA MET 61 HA MET 61 -7.893 1.580 -2.095 499 HB2 MET 61 1HB MET 61 -8.919 2.735 -0.192 500 HB3 MET 61 2HB MET 61 -10.151 3.451 -1.247 501 HG2 MET 61 1HG MET 61 -11.007 1.228 -1.779 502 HG3 MET 61 2HG MET 61 -9.761 0.495 -0.757 503 HE1 MET 61 1HE MET 61 -12.832 3.087 -0.671 504 HE2 MET 61 2HE MET 61 -13.303 1.413 -1.063 505 HE3 MET 61 3HE MET 61 -13.821 2.141 0.469 506 H TRP 62 H TRP 62 -10.076 3.986 -3.675 507 HA TRP 62 HA TRP 62 -11.566 2.146 -5.185 508 HB2 TRP 62 2HB TRP 62 -10.985 5.102 -5.334 509 HB3 TRP 62 3HB TRP 62 -11.638 4.328 -6.759 510 HD1 TRP 62 HD1 TRP 62 -12.604 3.872 -3.033 511 HE1 TRP 62 1HE TRP 62 -15.169 3.637 -2.916 512 HE3 TRP 62 3HE TRP 62 -13.699 4.916 -7.915 513 HZ2 TRP 62 2HZ TRP 62 -17.395 3.850 -4.749 514 HZ3 TRP 62 3HZ TRP 62 -16.033 4.782 -8.726 515 HH2 TRP 62 HH2 TRP 62 -17.877 4.267 -7.180 516 H ILE 63 H ILE 63 -8.452 3.742 -5.983 517 HA ILE 63 HA ILE 63 -8.393 2.699 -8.654 518 HB ILE 63 HB ILE 63 -6.061 3.597 -6.924 519 HG12 ILE 63 1HG1 ILE 63 -7.277 5.312 -9.107 520 HG13 ILE 63 2HG1 ILE 63 -8.057 5.317 -7.555 521 HG21 ILE 63 1HG2 ILE 63 -5.085 4.063 -9.282 522 HG22 ILE 63 2HG2 ILE 63 -5.221 2.362 -8.805 523 HG23 ILE 63 3HG2 ILE 63 -6.408 3.074 -9.907 524 HD11 ILE 63 1HD1 ILE 63 -5.824 5.863 -6.472 525 HD12 ILE 63 2HD1 ILE 63 -5.167 6.086 -8.107 526 HD13 ILE 63 3HD1 ILE 63 -6.480 7.125 -7.510 527 H ILE 64 H ILE 64 -7.212 1.397 -5.466 528 HA ILE 64 HA ILE 64 -5.817 -0.786 -6.688 529 HB ILE 64 HB ILE 64 -7.197 -1.181 -4.036 530 HG12 ILE 64 1HG1 ILE 64 -4.576 0.313 -4.266 531 HG13 ILE 64 2HG1 ILE 64 -6.147 1.011 -3.873 532 HG21 ILE 64 1HG2 ILE 64 -4.501 -2.067 -5.209 533 HG22 ILE 64 2HG2 ILE 64 -5.119 -2.550 -3.625 534 HG23 ILE 64 3HG2 ILE 64 -5.957 -3.074 -5.082 535 HD11 ILE 64 1HD1 ILE 64 -5.324 0.742 -1.771 536 HD12 ILE 64 2HD1 ILE 64 -6.297 -0.708 -1.962 537 HD13 ILE 64 3HD1 ILE 64 -4.524 -0.796 -2.158 538 H ARG 65 H ARG 65 -9.236 -0.678 -5.359 539 HA ARG 65 HA ARG 65 -9.780 -3.289 -6.220 540 HB2 ARG 65 1HB ARG 65 -12.122 -2.824 -5.973 541 HB3 ARG 65 2HB ARG 65 -11.173 -2.213 -4.629 542 HG2 ARG 65 1HG ARG 65 -11.396 0.041 -5.342 543 HG3 ARG 65 2HG ARG 65 -12.202 -0.439 -6.850 544 HD2 ARG 65 1HD ARG 65 -13.296 -0.983 -4.047 545 HD3 ARG 65 2HD ARG 65 -13.779 0.382 -5.071 546 HE ARG 65 HE ARG 65 -14.028 -1.963 -6.610 547 HH11 ARG 65 1HH1 ARG 65 -15.718 -0.732 -3.682 548 HH12 ARG 65 2HH1 ARG 65 -17.231 -1.402 -4.243 549 HH21 ARG 65 1HH2 ARG 65 -15.993 -2.508 -7.328 550 HH22 ARG 65 2HH2 ARG 65 -17.440 -2.224 -6.383 551 H LYS 66 H LYS 66 -9.995 -0.299 -8.189 552 HA LYS 66 HA LYS 66 -11.187 -1.715 -10.430 553 HB2 LYS 66 1HB LYS 66 -9.624 0.907 -10.275 554 HB3 LYS 66 2HB LYS 66 -10.231 0.219 -11.788 555 HG2 LYS 66 1HG LYS 66 -12.539 0.188 -10.834 556 HG3 LYS 66 2HG LYS 66 -11.935 1.065 -9.426 557 HD2 LYS 66 1HD LYS 66 -11.748 2.062 -12.305 558 HD3 LYS 66 2HD LYS 66 -13.052 2.480 -11.189 559 HE2 LYS 66 1HE LYS 66 -11.427 3.567 -9.679 560 HE3 LYS 66 2HE LYS 66 -10.100 3.122 -10.763 561 HZ1 LYS 66 1HZ LYS 66 -12.371 4.865 -11.532 562 HZ2 LYS 66 2HZ LYS 66 -11.012 4.543 -12.438 563 HZ3 LYS 66 3HZ LYS 66 -10.881 5.387 -11.056 564 H ARG 67 H ARG 67 -7.793 -1.006 -9.470 565 HA ARG 67 HA ARG 67 -6.549 -1.988 -11.764 566 HB2 ARG 67 1HB ARG 67 -5.494 -0.714 -9.833 567 HB3 ARG 67 2HB ARG 67 -5.509 -2.202 -8.894 568 HG2 ARG 67 1HG ARG 67 -3.323 -2.002 -9.705 569 HG3 ARG 67 2HG ARG 67 -4.035 -3.239 -10.729 570 HD2 ARG 67 1HD ARG 67 -4.104 -0.319 -11.560 571 HD3 ARG 67 2HD ARG 67 -2.627 -1.266 -11.770 572 HE ARG 67 HE ARG 67 -4.040 -2.906 -13.041 573 HH11 ARG 67 1HH1 ARG 67 -4.782 0.591 -13.167 574 HH12 ARG 67 2HH1 ARG 67 -5.339 0.529 -14.791 575 HH21 ARG 67 1HH2 ARG 67 -4.760 -2.999 -15.065 576 HH22 ARG 67 2HH2 ARG 67 -5.463 -1.621 -15.893 577 H ILE 68 H ILE 68 -7.377 -3.758 -8.753 578 HA ILE 68 HA ILE 68 -6.422 -6.267 -9.903 579 HB ILE 68 HB ILE 68 -6.928 -7.263 -7.853 580 HG12 ILE 68 1HG1 ILE 68 -8.537 -4.774 -7.161 581 HG13 ILE 68 2HG1 ILE 68 -9.174 -6.393 -7.439 582 HG21 ILE 68 1HG2 ILE 68 -5.896 -4.497 -7.147 583 HG22 ILE 68 2HG2 ILE 68 -5.547 -6.038 -6.340 584 HG23 ILE 68 3HG2 ILE 68 -4.948 -5.753 -7.970 585 HD11 ILE 68 1HD1 ILE 68 -7.477 -5.505 -5.084 586 HD12 ILE 68 2HD1 ILE 68 -9.181 -5.988 -5.110 587 HD13 ILE 68 3HD1 ILE 68 -7.921 -7.192 -5.406 588 H GLN 69 H GLN 69 -9.145 -4.492 -10.573 589 HA GLN 69 HA GLN 69 -11.107 -4.878 -11.530 590 HB2 GLN 69 1HB GLN 69 -10.142 -7.644 -12.298 591 HB3 GLN 69 2HB GLN 69 -11.229 -6.577 -13.174 592 HG2 GLN 69 1HG GLN 69 -8.219 -6.199 -12.791 593 HG3 GLN 69 2HG GLN 69 -9.006 -6.795 -14.218 594 HE21 GLN 69 1HE2 GLN 69 -8.153 -3.130 -14.636 595 HE22 GLN 69 2HE2 GLN 69 -7.258 -4.557 -14.127 596 H LEU 70 H LEU 70 -11.365 -5.089 -8.917 597 HA LEU 70 HA LEU 70 -12.347 -7.534 -7.863 598 HB2 LEU 70 1HB LEU 70 -11.469 -5.820 -6.433 599 HB3 LEU 70 2HB LEU 70 -12.659 -4.658 -6.967 600 HG LEU 70 HG LEU 70 -12.872 -5.795 -4.587 601 HD11 LEU 70 1HD1 LEU 70 -15.197 -5.533 -4.451 602 HD12 LEU 70 2HD1 LEU 70 -15.415 -5.656 -6.197 603 HD13 LEU 70 3HD1 LEU 70 -14.560 -4.262 -5.505 604 HD21 LEU 70 1HD2 LEU 70 -14.438 -7.872 -6.016 605 HD22 LEU 70 2HD2 LEU 70 -13.882 -7.793 -4.337 606 HD23 LEU 70 3HD2 LEU 70 -12.732 -8.114 -5.653 607 HA PRO 71 HA PRO 71 -16.401 -7.043 -9.966 608 HB2 PRO 71 2HB PRO 71 -17.343 -9.571 -9.530 609 HB3 PRO 71 3HB PRO 71 -16.083 -9.237 -10.759 610 HG2 PRO 71 2HG PRO 71 -15.659 -10.241 -7.929 611 HG3 PRO 71 3HG PRO 71 -14.964 -10.890 -9.446 612 HD2 PRO 71 2HD PRO 71 -13.655 -9.170 -7.773 613 HD3 PRO 71 3HD PRO 71 -13.455 -9.138 -9.534 614 H SER 72 H SER 72 -18.563 -6.756 -9.067 615 HA SER 72 HA SER 72 -18.782 -6.210 -6.327 616 HB2 SER 72 1HB SER 72 -20.893 -6.765 -8.439 617 HB3 SER 72 2HB SER 72 -21.309 -6.328 -6.772 618 HG SER 72 HG SER 72 -19.506 -4.801 -8.366 619 H GLU 73 H GLU 73 -18.964 -9.393 -7.797 620 HA GLU 73 HA GLU 73 -20.640 -10.600 -5.846 621 HB2 GLU 73 1HB GLU 73 -19.254 -12.715 -6.328 622 HB3 GLU 73 2HB GLU 73 -20.257 -12.068 -7.604 623 HG2 GLU 73 1HG GLU 73 -18.491 -11.247 -8.842 624 HG3 GLU 73 2HG GLU 73 -17.429 -11.161 -7.453 625 H LYS 74 H LYS 74 -17.160 -9.834 -5.905 626 HA LYS 74 HA LYS 74 -16.795 -11.017 -3.200 627 HB2 LYS 74 1HB LYS 74 -14.657 -9.846 -4.985 628 HB3 LYS 74 2HB LYS 74 -14.429 -10.878 -3.597 629 HG2 LYS 74 1HG LYS 74 -15.711 -11.728 -6.238 630 HG3 LYS 74 2HG LYS 74 -14.017 -11.905 -5.866 631 HD2 LYS 74 1HD LYS 74 -16.115 -13.101 -4.040 632 HD3 LYS 74 2HD LYS 74 -15.694 -13.910 -5.528 633 HE2 LYS 74 1HE LYS 74 -13.496 -13.063 -3.627 634 HE3 LYS 74 2HE LYS 74 -14.348 -14.605 -3.431 635 HZ1 LYS 74 1HZ LYS 74 -12.291 -14.715 -4.844 636 HZ2 LYS 74 2HZ LYS 74 -13.080 -13.870 -5.999 637 HZ3 LYS 74 3HZ LYS 74 -13.653 -15.331 -5.509 638 H ALA 75 H ALA 75 -15.427 -9.682 -1.723 639 HA ALA 75 HA ALA 75 -16.296 -6.848 -1.712 640 HB1 ALA 75 1HB ALA 75 -16.269 -6.997 0.724 641 HB2 ALA 75 2HB ALA 75 -17.348 -8.237 0.067 642 HB3 ALA 75 3HB ALA 75 -15.731 -8.691 0.648 643 H ILE 76 H ILE 76 -14.735 -5.515 -0.369 644 HA ILE 76 HA ILE 76 -11.976 -6.440 -0.389 645 HB ILE 76 HB ILE 76 -12.342 -5.442 -2.610 646 HG12 ILE 76 1HG1 ILE 76 -10.576 -3.533 -2.180 647 HG13 ILE 76 2HG1 ILE 76 -10.473 -4.199 -0.581 648 HG21 ILE 76 1HG2 ILE 76 -14.184 -3.894 -2.129 649 HG22 ILE 76 2HG2 ILE 76 -13.043 -2.829 -1.278 650 HG23 ILE 76 3HG2 ILE 76 -12.848 -3.159 -3.011 651 HD11 ILE 76 1HD1 ILE 76 -10.019 -6.452 -1.623 652 HD12 ILE 76 2HD1 ILE 76 -10.076 -5.637 -3.212 653 HD13 ILE 76 3HD1 ILE 76 -8.817 -5.208 -2.052 654 H PHE 77 H PHE 77 -10.908 -5.658 1.333 655 HA PHE 77 HA PHE 77 -11.858 -3.332 2.861 656 HB2 PHE 77 2HB PHE 77 -11.438 -6.062 4.147 657 HB3 PHE 77 3HB PHE 77 -11.834 -4.566 4.981 658 HD1 PHE 77 1HD PHE 77 -13.188 -7.553 3.635 659 HD2 PHE 77 2HD PHE 77 -14.092 -3.360 4.094 660 HE1 PHE 77 1HE PHE 77 -15.594 -8.023 3.254 661 HE2 PHE 77 2HE PHE 77 -16.495 -3.834 3.703 662 HZ PHE 77 HZ PHE 77 -17.251 -6.176 3.282 663 H LEU 78 H LEU 78 -10.110 -2.305 3.902 664 HA LEU 78 HA LEU 78 -7.378 -3.453 3.495 665 HB2 LEU 78 1HB LEU 78 -8.228 -0.529 3.844 666 HB3 LEU 78 2HB LEU 78 -6.597 -1.123 3.572 667 HG LEU 78 HG LEU 78 -8.847 -1.361 1.589 668 HD11 LEU 78 1HD1 LEU 78 -7.649 0.310 0.267 669 HD12 LEU 78 2HD1 LEU 78 -6.353 0.373 1.478 670 HD13 LEU 78 3HD1 LEU 78 -7.981 0.973 1.879 671 HD21 LEU 78 1HD2 LEU 78 -7.500 -3.177 1.127 672 HD22 LEU 78 2HD2 LEU 78 -6.014 -2.348 1.626 673 HD23 LEU 78 3HD2 LEU 78 -6.774 -1.920 0.096 674 H PHE 79 H PHE 79 -5.843 -3.032 5.049 675 HA PHE 79 HA PHE 79 -6.630 -2.063 7.726 676 HB2 PHE 79 2HB PHE 79 -5.502 -4.844 7.197 677 HB3 PHE 79 3HB PHE 79 -5.602 -4.075 8.776 678 HD1 PHE 79 1HD PHE 79 -7.354 -6.179 6.455 679 HD2 PHE 79 2HD PHE 79 -7.936 -3.253 9.568 680 HE1 PHE 79 1HE PHE 79 -9.656 -7.037 6.845 681 HE2 PHE 79 2HE PHE 79 -10.215 -4.140 9.983 682 HZ PHE 79 HZ PHE 79 -11.080 -6.024 8.615 683 H VAL 80 H VAL 80 -5.034 -0.770 8.536 684 HA VAL 80 HA VAL 80 -2.197 -1.186 7.702 685 HB VAL 80 HB VAL 80 -3.881 1.309 7.776 686 HG11 VAL 80 1HG1 VAL 80 -1.735 2.657 7.709 687 HG12 VAL 80 2HG1 VAL 80 -2.088 1.946 9.284 688 HG13 VAL 80 3HG1 VAL 80 -0.869 1.207 8.234 689 HG21 VAL 80 1HG2 VAL 80 -3.340 0.183 5.589 690 HG22 VAL 80 2HG2 VAL 80 -2.786 1.870 5.739 691 HG23 VAL 80 3HG2 VAL 80 -1.630 0.541 5.903 692 H ASP 81 H ASP 81 -0.927 -1.540 9.534 693 HA ASP 81 HA ASP 81 -0.439 -1.926 11.756 694 HB2 ASP 81 1HB ASP 81 0.141 0.395 11.462 695 HB3 ASP 81 2HB ASP 81 -1.506 0.915 11.772 696 H LYS 82 H LYS 82 -3.055 -3.006 11.033 697 HA LYS 82 HA LYS 82 -4.908 -3.932 12.035 698 HB2 LYS 82 1HB LYS 82 -2.994 -3.700 14.333 699 HB3 LYS 82 2HB LYS 82 -4.670 -4.009 14.733 700 HG2 LYS 82 1HG LYS 82 -4.744 -6.043 13.594 701 HG3 LYS 82 2HG LYS 82 -3.290 -5.687 12.646 702 HD2 LYS 82 1HD LYS 82 -2.926 -7.370 14.478 703 HD3 LYS 82 2HD LYS 82 -1.853 -5.980 14.530 704 HE2 LYS 82 1HE LYS 82 -2.534 -6.549 16.776 705 HE3 LYS 82 2HE LYS 82 -3.188 -4.970 16.332 706 HZ1 LYS 82 1HZ LYS 82 -5.310 -6.095 15.867 707 HZ2 LYS 82 2HZ LYS 82 -4.842 -6.263 17.419 708 HZ3 LYS 82 3HZ LYS 82 -4.651 -7.531 16.391 709 H THR 83 H THR 83 -4.907 -1.106 11.326 710 HA THR 83 HA THR 83 -7.121 -0.216 13.017 711 HB THR 83 HB THR 83 -6.414 2.095 12.854 712 HG1 THR 83 1HG THR 83 -4.228 1.069 11.395 713 HG21 THR 83 1HG2 THR 83 -5.598 0.822 14.799 714 HG22 THR 83 2HG2 THR 83 -4.524 2.157 14.342 715 HG23 THR 83 3HG2 THR 83 -4.073 0.508 13.923 716 H VAL 84 H VAL 84 -8.431 1.429 11.889 717 HA VAL 84 HA VAL 84 -8.869 0.689 9.068 718 HB VAL 84 HB VAL 84 -10.697 -0.047 10.249 719 HG11 VAL 84 1HG1 VAL 84 -12.058 1.274 11.843 720 HG12 VAL 84 2HG1 VAL 84 -10.429 0.949 12.445 721 HG13 VAL 84 3HG1 VAL 84 -10.835 2.560 11.797 722 HG21 VAL 84 1HG2 VAL 84 -11.603 2.715 9.344 723 HG22 VAL 84 2HG2 VAL 84 -11.277 1.360 8.254 724 HG23 VAL 84 3HG2 VAL 84 -12.568 1.230 9.460 725 HA PRO 85 HA PRO 85 -7.464 5.018 8.801 726 HB2 PRO 85 2HB PRO 85 -6.847 5.104 6.133 727 HB3 PRO 85 3HB PRO 85 -5.778 4.398 7.374 728 HG2 PRO 85 2HG PRO 85 -7.634 2.961 5.482 729 HG3 PRO 85 3HG PRO 85 -5.961 2.532 5.991 730 HD2 PRO 85 2HD PRO 85 -8.246 1.406 7.081 731 HD3 PRO 85 3HD PRO 85 -6.704 1.586 7.971 732 H GLN 86 H GLN 86 -8.743 6.740 8.380 733 HA GLN 86 HA GLN 86 -11.413 6.295 7.404 734 HB2 GLN 86 1HB GLN 86 -11.152 7.884 9.125 735 HB3 GLN 86 2HB GLN 86 -9.956 8.837 8.222 736 HG2 GLN 86 1HG GLN 86 -11.546 9.695 6.730 737 HG3 GLN 86 2HG GLN 86 -12.692 8.380 7.024 738 HE21 GLN 86 1HE2 GLN 86 -14.415 11.080 8.570 739 HE22 GLN 86 2HE2 GLN 86 -13.982 10.508 6.956 740 H SER 87 H SER 87 -12.243 6.517 5.448 741 HA SER 87 HA SER 87 -10.887 6.574 3.072 742 HB2 SER 87 1HB SER 87 -13.195 7.029 2.143 743 HB3 SER 87 2HB SER 87 -13.123 5.743 3.351 744 HG SER 87 HG SER 87 -14.703 6.860 4.186 745 H SER 88 H SER 88 -12.419 9.341 4.663 746 HA SER 88 HA SER 88 -11.775 11.245 2.601 747 HB2 SER 88 1HB SER 88 -13.727 11.426 4.079 748 HB3 SER 88 2HB SER 88 -12.666 11.622 5.482 749 HG SER 88 HG SER 88 -11.852 13.494 4.511 750 H LEU 89 H LEU 89 -9.680 9.902 5.028 751 HA LEU 89 HA LEU 89 -8.181 12.285 5.610 752 HB2 LEU 89 1HB LEU 89 -8.267 10.188 6.995 753 HB3 LEU 89 2HB LEU 89 -7.356 9.356 5.733 754 HG LEU 89 HG LEU 89 -5.403 10.754 6.108 755 HD11 LEU 89 1HD1 LEU 89 -6.346 12.922 6.731 756 HD12 LEU 89 2HD1 LEU 89 -5.370 12.334 8.078 757 HD13 LEU 89 3HD1 LEU 89 -7.127 12.212 8.161 758 HD21 LEU 89 1HD2 LEU 89 -4.832 9.969 8.352 759 HD22 LEU 89 2HD2 LEU 89 -5.798 8.734 7.530 760 HD23 LEU 89 3HD2 LEU 89 -6.549 9.769 8.760 761 H THR 90 H THR 90 -6.120 12.930 4.638 762 HA THR 90 HA THR 90 -5.950 12.178 1.801 763 HB THR 90 HB THR 90 -4.483 13.972 1.440 764 HG1 THR 90 1HG THR 90 -3.630 15.175 2.905 765 HG21 THR 90 1HG2 THR 90 -6.786 14.878 3.232 766 HG22 THR 90 2HG2 THR 90 -6.856 14.563 1.484 767 HG23 THR 90 3HG2 THR 90 -5.880 15.895 2.099 768 H MET 91 H MET 91 -3.900 11.509 0.801 769 HA MET 91 HA MET 91 -2.676 9.425 2.258 770 HB2 MET 91 1HB MET 91 -2.096 10.836 -0.357 771 HB3 MET 91 2HB MET 91 -0.819 9.792 0.293 772 HG2 MET 91 1HG MET 91 -3.698 8.983 -0.318 773 HG3 MET 91 2HG MET 91 -2.279 8.606 -1.293 774 HE1 MET 91 1HE MET 91 -4.448 7.731 1.723 775 HE2 MET 91 2HE MET 91 -4.629 6.744 0.255 776 HE3 MET 91 3HE MET 91 -4.065 5.988 1.766 777 H GLY 92 H GLY 92 -1.535 12.772 1.590 778 HA2 GLY 92 1HA GLY 92 1.025 12.431 2.755 779 HA3 GLY 92 2HA GLY 92 0.117 13.956 2.703 780 H GLN 93 H GLN 93 -2.083 13.362 4.318 781 HA GLN 93 HA GLN 93 -0.973 13.766 6.902 782 HB2 GLN 93 1HB GLN 93 -3.756 13.210 5.816 783 HB3 GLN 93 2HB GLN 93 -3.439 13.386 7.535 784 HG2 GLN 93 1HG GLN 93 -2.442 15.627 7.154 785 HG3 GLN 93 2HG GLN 93 -2.729 15.479 5.427 786 HE21 GLN 93 1HE2 GLN 93 -6.237 16.100 5.606 787 HE22 GLN 93 2HE2 GLN 93 -5.016 15.113 4.801 788 H LEU 94 H LEU 94 -2.613 10.944 5.488 789 HA LEU 94 HA LEU 94 -2.420 9.259 7.783 790 HB2 LEU 94 1HB LEU 94 -3.914 8.726 6.009 791 HB3 LEU 94 2HB LEU 94 -2.630 8.650 4.818 792 HG LEU 94 HG LEU 94 -2.179 6.810 7.136 793 HD11 LEU 94 1HD1 LEU 94 -4.553 6.681 7.208 794 HD12 LEU 94 2HD1 LEU 94 -3.895 5.206 6.523 795 HD13 LEU 94 3HD1 LEU 94 -4.663 6.433 5.450 796 HD21 LEU 94 1HD2 LEU 94 -1.773 5.172 5.357 797 HD22 LEU 94 2HD2 LEU 94 -0.887 6.658 5.029 798 HD23 LEU 94 3HD2 LEU 94 -2.372 6.312 4.125 799 H TYR 95 H TYR 95 -0.165 9.650 5.018 800 HA TYR 95 HA TYR 95 1.742 7.685 5.789 801 HB2 TYR 95 2HB TYR 95 1.716 8.573 3.576 802 HB3 TYR 95 3HB TYR 95 1.948 10.217 4.144 803 HD1 TYR 95 1HD TYR 95 3.596 6.821 4.217 804 HD2 TYR 95 2HD TYR 95 4.146 11.108 4.330 805 HE1 TYR 95 1HE TYR 95 6.004 6.523 3.875 806 HE2 TYR 95 2HE TYR 95 6.559 10.812 3.998 807 HH TYR 95 HH TYR 95 8.260 9.318 3.823 808 H GLU 96 H GLU 96 1.814 11.312 6.209 809 HA GLU 96 HA GLU 96 4.094 11.378 7.816 810 HB2 GLU 96 1HB GLU 96 1.678 13.221 7.800 811 HB3 GLU 96 2HB GLU 96 3.192 13.610 8.593 812 HG2 GLU 96 1HG GLU 96 3.109 12.976 5.608 813 HG3 GLU 96 2HG GLU 96 2.698 14.576 6.227 814 H LYS 97 H LYS 97 0.739 10.584 8.814 815 HA LYS 97 HA LYS 97 1.636 10.654 11.619 816 HB2 LYS 97 1HB LYS 97 -0.516 10.594 12.369 817 HB3 LYS 97 2HB LYS 97 -0.531 11.670 10.973 818 HG2 LYS 97 1HG LYS 97 -2.448 10.485 10.512 819 HG3 LYS 97 2HG LYS 97 -1.262 9.467 9.711 820 HD2 LYS 97 1HD LYS 97 -2.651 7.971 10.876 821 HD3 LYS 97 2HD LYS 97 -1.185 8.102 11.857 822 HE2 LYS 97 1HE LYS 97 -2.463 9.807 13.277 823 HE3 LYS 97 2HE LYS 97 -3.916 9.235 12.432 824 HZ1 LYS 97 1HZ LYS 97 -3.281 6.961 13.188 825 HZ2 LYS 97 2HZ LYS 97 -3.593 7.996 14.426 826 HZ3 LYS 97 3HZ LYS 97 -2.032 7.641 14.056 827 H GLU 98 H GLU 98 1.165 8.130 9.153 828 HA GLU 98 HA GLU 98 1.385 6.127 11.374 829 HB2 GLU 98 1HB GLU 98 0.569 5.594 8.499 830 HB3 GLU 98 2HB GLU 98 0.608 4.440 9.847 831 HG2 GLU 98 1HG GLU 98 -0.965 6.226 11.000 832 HG3 GLU 98 2HG GLU 98 -1.333 6.684 9.331 833 H LYS 99 H LYS 99 3.425 7.775 9.360 834 HA LYS 99 HA LYS 99 5.164 6.199 8.141 835 HB2 LYS 99 1HB LYS 99 6.919 7.791 8.549 836 HB3 LYS 99 2HB LYS 99 5.406 8.529 8.115 837 HG2 LYS 99 1HG LYS 99 5.725 9.926 9.845 838 HG3 LYS 99 2HG LYS 99 5.212 8.599 10.882 839 HD2 LYS 99 1HD LYS 99 7.255 9.359 11.804 840 HD3 LYS 99 2HD LYS 99 7.694 7.888 10.929 841 HE2 LYS 99 1HE LYS 99 8.362 9.272 8.968 842 HE3 LYS 99 2HE LYS 99 7.895 10.736 9.831 843 HZ1 LYS 99 1HZ LYS 99 9.649 10.364 11.394 844 HZ2 LYS 99 2HZ LYS 99 10.302 10.220 9.891 845 HZ3 LYS 99 3HZ LYS 99 9.978 8.872 10.785 846 H ASP 100 H ASP 100 6.373 4.568 8.421 847 HA ASP 100 HA ASP 100 6.781 3.259 10.989 848 HB2 ASP 100 1HB ASP 100 6.337 2.058 8.858 849 HB3 ASP 100 2HB ASP 100 7.849 2.688 8.188 850 H GLU 101 H GLU 101 9.275 2.387 11.395 851 HA GLU 101 HA GLU 101 10.812 4.677 12.018 852 HB2 GLU 101 1HB GLU 101 12.474 3.291 12.802 853 HB3 GLU 101 2HB GLU 101 10.997 2.385 13.115 854 HG2 GLU 101 1HG GLU 101 11.447 0.949 11.153 855 HG3 GLU 101 2HG GLU 101 12.896 1.895 10.764 856 H ASP 102 H ASP 102 10.735 2.495 9.207 857 HA ASP 102 HA ASP 102 12.912 4.031 7.931 858 HB2 ASP 102 1HB ASP 102 12.389 1.328 7.982 859 HB3 ASP 102 2HB ASP 102 11.806 1.792 6.379 860 H GLY 103 H GLY 103 9.951 4.882 8.311 861 HA2 GLY 103 1HA GLY 103 8.484 6.240 7.201 862 HA3 GLY 103 2HA GLY 103 9.797 6.580 6.077 863 H PHE 104 H PHE 104 8.393 3.278 6.392 864 HA PHE 104 HA PHE 104 7.288 3.680 3.643 865 HB2 PHE 104 2HB PHE 104 7.940 1.631 2.970 866 HB3 PHE 104 3HB PHE 104 9.285 2.023 4.016 867 HD1 PHE 104 1HD PHE 104 6.747 -0.382 3.248 868 HD2 PHE 104 2HD PHE 104 9.179 1.100 6.505 869 HE1 PHE 104 1HE PHE 104 6.371 -2.473 4.491 870 HE2 PHE 104 2HE PHE 104 8.726 -0.969 7.766 871 HZ PHE 104 HZ PHE 104 7.311 -2.751 6.802 872 H LEU 105 H LEU 105 5.254 2.441 3.204 873 HA LEU 105 HA LEU 105 3.674 2.055 5.720 874 HB2 LEU 105 1HB LEU 105 3.153 4.145 4.267 875 HB3 LEU 105 2HB LEU 105 2.546 2.994 3.088 876 HG LEU 105 HG LEU 105 1.318 2.154 5.470 877 HD11 LEU 105 1HD1 LEU 105 0.271 4.142 6.460 878 HD12 LEU 105 2HD1 LEU 105 1.314 5.190 5.470 879 HD13 LEU 105 3HD1 LEU 105 2.005 4.118 6.715 880 HD21 LEU 105 1HD2 LEU 105 0.217 2.277 3.309 881 HD22 LEU 105 2HD2 LEU 105 0.197 4.061 3.409 882 HD23 LEU 105 3HD2 LEU 105 -0.736 3.083 4.572 883 H TYR 106 H TYR 106 2.517 0.192 5.816 884 HA TYR 106 HA TYR 106 2.617 -1.677 3.486 885 HB2 TYR 106 2HB TYR 106 2.847 -3.507 5.099 886 HB3 TYR 106 3HB TYR 106 4.204 -2.408 5.172 887 HD1 TYR 106 1HD TYR 106 4.646 -1.032 7.189 888 HD2 TYR 106 2HD TYR 106 1.162 -3.580 6.939 889 HE1 TYR 106 1HE TYR 106 4.138 -0.580 9.556 890 HE2 TYR 106 2HE TYR 106 0.684 -3.173 9.328 891 HH TYR 106 HH TYR 106 2.502 -0.800 11.257 892 H VAL 107 H VAL 107 0.629 -2.463 2.887 893 HA VAL 107 HA VAL 107 -1.593 -2.202 4.847 894 HB VAL 107 HB VAL 107 -1.870 -0.303 3.467 895 HG11 VAL 107 1HG1 VAL 107 -0.596 -0.832 1.470 896 HG12 VAL 107 2HG1 VAL 107 -1.733 -2.125 1.030 897 HG13 VAL 107 3HG1 VAL 107 -2.245 -0.419 1.013 898 HG21 VAL 107 1HG2 VAL 107 -3.906 -1.551 4.086 899 HG22 VAL 107 2HG2 VAL 107 -4.096 -0.688 2.555 900 HG23 VAL 107 3HG2 VAL 107 -3.834 -2.445 2.558 901 H ALA 108 H ALA 108 -2.988 -3.850 4.903 902 HA ALA 108 HA ALA 108 -2.355 -6.231 3.236 903 HB1 ALA 108 1HB ALA 108 -1.815 -6.536 5.651 904 HB2 ALA 108 2HB ALA 108 -3.474 -6.052 6.071 905 HB3 ALA 108 3HB ALA 108 -3.188 -7.544 5.150 906 H TYR 109 H TYR 109 -4.184 -7.154 2.201 907 HA TYR 109 HA TYR 109 -6.786 -5.830 2.806 908 HB2 TYR 109 2HB TYR 109 -7.325 -5.417 0.592 909 HB3 TYR 109 3HB TYR 109 -5.700 -4.781 0.786 910 HD1 TYR 109 1HD TYR 109 -7.840 -7.228 -0.926 911 HD2 TYR 109 2HD TYR 109 -3.756 -6.056 -0.204 912 HE1 TYR 109 1HE TYR 109 -7.116 -8.538 -2.903 913 HE2 TYR 109 2HE TYR 109 -3.037 -7.358 -2.193 914 HH TYR 109 HH TYR 109 -5.290 -9.358 -4.101 915 H SER 110 H SER 110 -8.625 -7.002 2.335 916 HA SER 110 HA SER 110 -8.325 -9.837 1.571 917 HB2 SER 110 1HB SER 110 -8.006 -9.760 4.051 918 HB3 SER 110 2HB SER 110 -9.490 -8.819 4.211 919 HG SER 110 HG SER 110 -9.178 -11.556 3.550 920 H GLY 111 H GLY 111 -10.510 -10.762 1.404 921 HA2 GLY 111 1HA GLY 111 -12.576 -8.812 0.531 922 HA3 GLY 111 2HA GLY 111 -12.266 -10.335 -0.322 923 H GLU 112 H GLU 112 -11.809 -10.378 3.156 924 HA GLU 112 HA GLU 112 -14.390 -11.767 3.594 925 HB2 GLU 112 1HB GLU 112 -11.690 -12.291 4.894 926 HB3 GLU 112 2HB GLU 112 -13.230 -13.054 5.285 927 HG2 GLU 112 1HG GLU 112 -13.331 -13.617 2.730 928 HG3 GLU 112 2HG GLU 112 -11.583 -13.332 2.762 929 H ASN 113 H ASN 113 -15.671 -10.510 4.733 930 HA ASN 113 HA ASN 113 -14.852 -8.125 6.020 931 HB2 ASN 113 1HB ASN 113 -17.052 -7.751 6.398 932 HB3 ASN 113 2HB ASN 113 -17.171 -8.851 5.039 933 HD21 ASN 113 1HD2 ASN 113 -18.805 -9.841 8.604 934 HD22 ASN 113 2HD2 ASN 113 -18.089 -8.252 8.309 935 H THR 114 H THR 114 -14.343 -11.216 7.187 936 HA THR 114 HA THR 114 -13.907 -10.219 9.921 937 HB THR 114 HB THR 114 -14.902 -12.957 10.005 938 HG1 THR 114 1HG THR 114 -16.270 -12.352 8.375 939 HG21 THR 114 1HG2 THR 114 -16.345 -12.001 11.783 940 HG22 THR 114 2HG2 THR 114 -15.788 -10.369 11.342 941 HG23 THR 114 3HG2 THR 114 -14.645 -11.566 11.986 942 H PHE 115 H PHE 115 -11.984 -10.883 10.731 943 HA PHE 115 HA PHE 115 -10.462 -13.003 9.303 944 HB2 PHE 115 2HB PHE 115 -8.430 -11.726 9.743 945 HB3 PHE 115 3HB PHE 115 -9.552 -10.842 8.740 946 HD1 PHE 115 1HD PHE 115 -8.166 -11.062 12.236 947 HD2 PHE 115 2HD PHE 115 -10.423 -8.697 9.408 948 HE1 PHE 115 1HE PHE 115 -8.162 -9.162 13.809 949 HE2 PHE 115 2HE PHE 115 -10.403 -6.806 10.998 950 HZ PHE 115 HZ PHE 115 -9.293 -7.030 13.192 951 H GLY 116 H GLY 116 -12.219 -12.757 11.916 952 HA2 GLY 116 1HA GLY 116 -10.461 -13.351 14.140 953 HA3 GLY 116 2HA GLY 116 -12.218 -13.461 14.073 954 H1 GLY 330 H GLY 330 28.104 -4.596 10.743 955 HA2 GLY 330 1HA GLY 330 27.048 -7.318 11.245 956 HA3 GLY 330 2HA GLY 330 26.056 -5.923 10.761 957 H ALA 331 H ALA 331 27.420 -8.711 9.592 958 HA ALA 331 HA ALA 331 28.160 -7.700 6.921 959 HB1 ALA 331 1HB ALA 331 28.944 -10.027 6.648 960 HB2 ALA 331 2HB ALA 331 29.621 -9.315 8.127 961 HB3 ALA 331 3HB ALA 331 28.279 -10.465 8.221 962 H MET 332 H MET 332 25.758 -6.981 6.793 963 HA MET 332 HA MET 332 24.024 -9.260 5.945 964 HB2 MET 332 1HB MET 332 22.143 -8.083 6.771 965 HB3 MET 332 2HB MET 332 23.362 -8.108 8.030 966 HG2 MET 332 1HG MET 332 24.012 -5.747 7.282 967 HG3 MET 332 2HG MET 332 22.592 -5.789 6.234 968 HE1 MET 332 1HE MET 332 20.844 -3.447 8.527 969 HE2 MET 332 2HE MET 332 22.458 -3.331 7.791 970 HE3 MET 332 3HE MET 332 21.113 -4.050 6.886 971 H GLU 333 H GLU 333 25.947 -7.341 4.382 972 HA GLU 333 HA GLU 333 24.305 -5.865 2.559 973 HB2 GLU 333 1HB GLU 333 26.823 -5.661 3.374 974 HB3 GLU 333 2HB GLU 333 27.165 -6.670 2.005 975 HG2 GLU 333 1HG GLU 333 27.443 -4.509 1.164 976 HG3 GLU 333 2HG GLU 333 25.798 -4.896 0.633 977 H ILE 334 H ILE 334 23.013 -8.119 2.382 978 HA ILE 334 HA ILE 334 23.998 -10.082 0.498 979 HB ILE 334 HB ILE 334 21.635 -10.865 0.489 980 HG12 ILE 334 1HG1 ILE 334 21.160 -8.410 2.248 981 HG13 ILE 334 2HG1 ILE 334 20.414 -8.803 0.699 982 HG21 ILE 334 1HG2 ILE 334 22.681 -10.371 3.309 983 HG22 ILE 334 2HG2 ILE 334 21.701 -11.739 2.720 984 HG23 ILE 334 3HG2 ILE 334 23.371 -11.557 2.182 985 HD11 ILE 334 1HD1 ILE 334 18.916 -9.092 2.609 986 HD12 ILE 334 2HD1 ILE 334 19.141 -10.563 1.659 987 HD13 ILE 334 3HD1 ILE 334 19.949 -10.382 3.238 988 H ILE 335 H ILE 335 23.708 -10.200 -1.684 989 HA ILE 335 HA ILE 335 22.654 -7.806 -3.099 990 HB ILE 335 HB ILE 335 24.623 -9.986 -3.916 991 HG12 ILE 335 1HG1 ILE 335 25.230 -7.068 -3.282 992 HG13 ILE 335 2HG1 ILE 335 25.430 -8.343 -2.103 993 HG21 ILE 335 1HG2 ILE 335 23.876 -7.408 -5.373 994 HG22 ILE 335 2HG2 ILE 335 25.183 -8.517 -5.855 995 HG23 ILE 335 3HG2 ILE 335 23.518 -9.058 -5.910 996 HD11 ILE 335 1HD1 ILE 335 27.573 -7.912 -3.003 997 HD12 ILE 335 2HD1 ILE 335 27.054 -9.498 -3.603 998 HD13 ILE 335 3HD1 ILE 335 27.001 -8.076 -4.667 999 H HIS 336 H HIS 336 22.092 -11.234 -2.545 1000 HA HIS 336 HA HIS 336 20.530 -11.576 -4.985 1001 HB2 HIS 336 1HB HIS 336 21.172 -13.423 -2.683 1002 HB3 HIS 336 2HB HIS 336 20.080 -13.844 -4.008 1003 HD1 HIS 336 HD1 HIS 336 23.718 -13.781 -3.224 1004 HD2 HIS 336 HD2 HIS 336 21.210 -13.598 -6.609 1005 HE1 HIS 336 HE1 HIS 336 25.193 -14.269 -5.283 1006 H GLU 337 H GLU 337 18.978 -9.987 -4.776 1007 HA GLU 337 HA GLU 337 17.004 -10.064 -2.583 1008 HB2 GLU 337 1HB GLU 337 17.109 -8.532 -5.246 1009 HB3 GLU 337 2HB GLU 337 15.882 -8.319 -3.999 1010 HG2 GLU 337 1HG GLU 337 17.812 -7.692 -2.407 1011 HG3 GLU 337 2HG GLU 337 18.857 -7.665 -3.827 1012 H ASP 338 H ASP 338 15.663 -11.911 -2.687 1013 HA ASP 338 HA ASP 338 15.446 -13.404 -5.200 1014 HB2 ASP 338 1HB ASP 338 15.602 -14.448 -2.942 1015 HB3 ASP 338 2HB ASP 338 13.960 -13.885 -2.609 1016 H ASN 339 H ASN 339 13.495 -11.106 -3.437 1017 HA ASN 339 HA ASN 339 11.110 -11.538 -5.131 1018 HB2 ASN 339 1HB ASN 339 11.698 -9.863 -2.679 1019 HB3 ASN 339 2HB ASN 339 10.294 -9.504 -3.706 1020 HD21 ASN 339 1HD2 ASN 339 10.471 -13.299 -2.091 1021 HD22 ASN 339 2HD2 ASN 339 11.866 -12.230 -2.039 1022 H GLU 340 H GLU 340 10.133 -9.905 -6.380 1023 HA GLU 340 HA GLU 340 12.021 -8.403 -7.972 1024 HB2 GLU 340 1HB GLU 340 10.041 -9.654 -8.843 1025 HB3 GLU 340 2HB GLU 340 9.005 -8.525 -7.964 1026 HG2 GLU 340 1HG GLU 340 10.502 -6.766 -9.477 1027 HG3 GLU 340 2HG GLU 340 10.478 -8.177 -10.525 1028 H TRP 341 H TRP 341 8.942 -7.215 -6.318 1029 HA TRP 341 HA TRP 341 8.403 -5.212 -5.529 1030 HB2 TRP 341 2HB TRP 341 11.334 -5.012 -4.763 1031 HB3 TRP 341 3HB TRP 341 10.029 -4.024 -4.154 1032 HD1 TRP 341 HD1 TRP 341 11.932 -6.880 -3.115 1033 HE1 TRP 341 1HE TRP 341 10.812 -8.000 -1.097 1034 HE3 TRP 341 3HE TRP 341 7.275 -4.889 -3.601 1035 HZ2 TRP 341 2HZ TRP 341 8.049 -8.372 -0.142 1036 HZ3 TRP 341 3HZ TRP 341 5.412 -5.654 -2.191 1037 HH2 TRP 341 HH2 TRP 341 5.777 -7.396 -0.457 1038 H GLY 342 H GLY 342 8.158 -4.956 -8.126 1039 HA2 GLY 342 1HA GLY 342 9.948 -3.008 -9.290 1040 HA3 GLY 342 2HA GLY 342 8.434 -3.633 -9.957 1041 H ILE 343 H ILE 343 9.643 -0.776 -9.405 1042 HA ILE 343 HA ILE 343 7.721 0.452 -7.614 1043 HB ILE 343 HB ILE 343 9.666 1.731 -9.572 1044 HG12 ILE 343 1HG1 ILE 343 9.983 1.282 -6.559 1045 HG13 ILE 343 2HG1 ILE 343 10.794 0.316 -7.813 1046 HG21 ILE 343 1HG2 ILE 343 9.348 3.780 -8.210 1047 HG22 ILE 343 2HG2 ILE 343 7.814 3.257 -8.881 1048 HG23 ILE 343 3HG2 ILE 343 8.182 2.915 -7.181 1049 HD11 ILE 343 1HD1 ILE 343 11.257 3.260 -7.211 1050 HD12 ILE 343 2HD1 ILE 343 12.378 1.904 -7.059 1051 HD13 ILE 343 3HD1 ILE 343 11.859 2.431 -8.665 1052 H GLU 344 H GLU 344 5.659 1.057 -8.116 1053 HA GLU 344 HA GLU 344 5.030 1.758 -10.931 1054 HB2 GLU 344 1HB GLU 344 3.349 -0.050 -9.161 1055 HB3 GLU 344 2HB GLU 344 2.889 0.617 -10.741 1056 HG2 GLU 344 1HG GLU 344 5.234 -0.468 -11.486 1057 HG3 GLU 344 2HG GLU 344 4.947 -1.506 -10.089 1058 H LEU 345 H LEU 345 4.280 3.730 -11.064 1059 HA LEU 345 HA LEU 345 3.506 5.276 -8.708 1060 HB2 LEU 345 1HB LEU 345 5.130 5.962 -10.490 1061 HB3 LEU 345 2HB LEU 345 3.825 5.970 -11.664 1062 HG LEU 345 HG LEU 345 3.713 7.687 -9.185 1063 HD11 LEU 345 1HD1 LEU 345 4.758 9.514 -10.535 1064 HD12 LEU 345 2HD1 LEU 345 5.093 8.338 -11.819 1065 HD13 LEU 345 3HD1 LEU 345 5.863 8.174 -10.224 1066 HD21 LEU 345 1HD2 LEU 345 2.359 9.181 -10.691 1067 HD22 LEU 345 2HD2 LEU 345 1.624 7.593 -10.537 1068 HD23 LEU 345 3HD2 LEU 345 2.539 8.005 -12.000 1069 H VAL 346 H VAL 346 1.370 5.358 -8.074 1070 HA VAL 346 HA VAL 346 -0.757 4.988 -10.132 1071 HB VAL 346 HB VAL 346 -0.789 4.032 -7.276 1072 HG11 VAL 346 1HG1 VAL 346 -2.829 2.874 -7.827 1073 HG12 VAL 346 2HG1 VAL 346 -3.024 4.600 -8.103 1074 HG13 VAL 346 3HG1 VAL 346 -2.775 3.514 -9.491 1075 HG21 VAL 346 1HG2 VAL 346 0.722 2.554 -8.424 1076 HG22 VAL 346 2HG2 VAL 346 -0.838 1.719 -8.454 1077 HG23 VAL 346 3HG2 VAL 346 -0.268 2.571 -9.900 1078 H SER 347 H SER 347 -2.205 6.688 -10.278 1079 HA SER 347 HA SER 347 -2.907 8.287 -7.951 1080 HB2 SER 347 1HB SER 347 -2.218 10.369 -9.425 1081 HB3 SER 347 2HB SER 347 -1.005 9.571 -8.436 1082 HG SER 347 HG SER 347 -0.372 9.954 -10.698 1083 H GLU 348 H GLU 348 -4.847 9.642 -8.479 1084 HA GLU 348 HA GLU 348 -5.962 9.718 -11.045 1085 HB2 GLU 348 1HB GLU 348 -6.497 7.271 -10.098 1086 HB3 GLU 348 2HB GLU 348 -7.705 8.150 -9.149 1087 HG2 GLU 348 1HG GLU 348 -8.158 9.233 -11.612 1088 HG3 GLU 348 2HG GLU 348 -7.477 7.705 -12.122 Start of MODEL 12 1 H1 MET 1 H MET 1 3.459 -17.762 7.271 2 HA MET 1 HA MET 1 3.499 -15.775 5.811 3 HB2 MET 1 1HB MET 1 1.187 -16.353 7.627 4 HB3 MET 1 2HB MET 1 1.089 -14.950 6.559 5 HG2 MET 1 1HG MET 1 0.146 -17.153 5.707 6 HG3 MET 1 2HG MET 1 1.127 -16.181 4.624 7 HE1 MET 1 1HE MET 1 3.863 -16.754 4.218 8 HE2 MET 1 2HE MET 1 3.868 -18.351 3.466 9 HE3 MET 1 3HE MET 1 2.594 -17.187 3.053 10 H GLY 2 H GLY 2 5.234 -14.423 6.346 11 HA2 GLY 2 1HA GLY 2 4.609 -12.166 8.195 12 HA3 GLY 2 2HA GLY 2 6.219 -12.865 7.919 13 H TRP 3 H TRP 3 6.592 -10.472 7.405 14 HA TRP 3 HA TRP 3 5.583 -9.492 4.876 15 HB2 TRP 3 2HB TRP 3 7.677 -8.568 6.869 16 HB3 TRP 3 3HB TRP 3 7.418 -7.746 5.345 17 HD1 TRP 3 HD1 TRP 3 6.848 -6.837 8.544 18 HE1 TRP 3 1HE TRP 3 4.644 -5.663 9.048 19 HE3 TRP 3 3HE TRP 3 4.202 -8.150 4.316 20 HZ2 TRP 3 2HZ TRP 3 1.976 -5.584 7.931 21 HZ3 TRP 3 3HZ TRP 3 1.874 -7.575 4.107 22 HH2 TRP 3 HH2 TRP 3 0.735 -6.169 5.815 23 H MET 4 H MET 4 6.208 -10.393 3.025 24 HA MET 4 HA MET 4 8.389 -12.076 2.639 25 HB2 MET 4 1HB MET 4 6.393 -11.588 1.107 26 HB3 MET 4 2HB MET 4 7.259 -10.215 0.488 27 HG2 MET 4 1HG MET 4 8.594 -12.932 0.529 28 HG3 MET 4 2HG MET 4 7.364 -12.592 -0.671 29 HE1 MET 4 1HE MET 4 10.288 -13.561 -1.221 30 HE2 MET 4 2HE MET 4 9.115 -13.297 -2.524 31 HE3 MET 4 3HE MET 4 10.744 -12.606 -2.633 32 H PHE 5 H PHE 5 8.266 -8.524 2.141 33 HA PHE 5 HA PHE 5 10.916 -8.219 1.206 34 HB2 PHE 5 2HB PHE 5 10.663 -5.858 1.855 35 HB3 PHE 5 3HB PHE 5 9.300 -6.462 0.943 36 HD1 PHE 5 1HD PHE 5 10.493 -5.328 4.268 37 HD2 PHE 5 2HD PHE 5 7.041 -6.524 1.940 38 HE1 PHE 5 1HE PHE 5 9.001 -4.531 6.072 39 HE2 PHE 5 2HE PHE 5 5.582 -5.717 3.742 40 HZ PHE 5 HZ PHE 5 6.520 -4.749 5.815 41 H LYS 6 H LYS 6 9.692 -8.282 4.580 42 HA LYS 6 HA LYS 6 12.148 -7.427 5.783 43 HB2 LYS 6 1HB LYS 6 9.822 -7.357 6.735 44 HB3 LYS 6 2HB LYS 6 9.896 -9.120 6.945 45 HG2 LYS 6 1HG LYS 6 11.748 -8.916 8.511 46 HG3 LYS 6 2HG LYS 6 11.873 -7.169 8.181 47 HD2 LYS 6 1HD LYS 6 9.467 -6.935 8.989 48 HD3 LYS 6 2HD LYS 6 9.537 -8.648 9.479 49 HE2 LYS 6 1HE LYS 6 11.567 -8.065 10.861 50 HE3 LYS 6 2HE LYS 6 11.341 -6.369 10.425 51 HZ1 LYS 6 1HZ LYS 6 10.333 -6.851 12.535 52 HZ2 LYS 6 2HZ LYS 6 9.381 -8.029 11.896 53 HZ3 LYS 6 3HZ LYS 6 9.181 -6.438 11.458 54 H GLU 7 H GLU 7 10.842 -10.582 4.891 55 HA GLU 7 HA GLU 7 12.823 -12.160 6.254 56 HB2 GLU 7 1HB GLU 7 10.882 -12.676 3.952 57 HB3 GLU 7 2HB GLU 7 11.881 -13.944 4.702 58 HG2 GLU 7 1HG GLU 7 10.990 -13.431 6.864 59 HG3 GLU 7 2HG GLU 7 10.016 -12.101 6.298 60 H ASP 8 H ASP 8 12.463 -10.860 3.073 61 HA ASP 8 HA ASP 8 15.043 -11.885 2.129 62 HB2 ASP 8 1HB ASP 8 12.806 -10.444 0.845 63 HB3 ASP 8 2HB ASP 8 14.368 -9.966 0.219 64 H HIS 9 H HIS 9 14.053 -8.423 2.193 65 HA HIS 9 HA HIS 9 16.343 -7.572 3.689 66 HB2 HIS 9 1HB HIS 9 17.310 -6.128 1.891 67 HB3 HIS 9 2HB HIS 9 17.582 -7.848 1.696 68 HD1 HIS 9 HD1 HIS 9 14.309 -7.727 0.307 69 HD2 HIS 9 HD2 HIS 9 18.047 -6.199 -0.851 70 HE1 HIS 9 HE1 HIS 9 14.173 -7.402 -2.155 71 H SER 10 H SER 10 15.598 -5.839 4.846 72 HA SER 10 HA SER 10 13.512 -4.157 3.566 73 HB2 SER 10 1HB SER 10 12.547 -3.770 5.764 74 HB3 SER 10 2HB SER 10 12.440 -5.425 5.179 75 HG SER 10 HG SER 10 14.285 -5.909 6.577 76 H LEU 11 H LEU 11 15.796 -3.600 6.347 77 HA LEU 11 HA LEU 11 15.781 -0.885 6.210 78 HB2 LEU 11 1HB LEU 11 18.226 -2.616 6.664 79 HB3 LEU 11 2HB LEU 11 18.150 -0.908 7.046 80 HG LEU 11 HG LEU 11 16.288 -2.955 8.307 81 HD11 LEU 11 1HD1 LEU 11 17.819 -2.893 10.238 82 HD12 LEU 11 2HD1 LEU 11 18.937 -1.862 9.335 83 HD13 LEU 11 3HD1 LEU 11 18.633 -3.527 8.807 84 HD21 LEU 11 1HD2 LEU 11 15.538 -0.568 8.430 85 HD22 LEU 11 2HD2 LEU 11 17.084 -0.135 9.177 86 HD23 LEU 11 3HD2 LEU 11 15.955 -1.225 10.014 87 H GLU 12 H GLU 12 18.325 -2.703 4.399 88 HA GLU 12 HA GLU 12 19.334 -0.365 3.116 89 HB2 GLU 12 1HB GLU 12 19.340 -3.260 2.093 90 HB3 GLU 12 2HB GLU 12 20.282 -1.909 1.397 91 HG2 GLU 12 1HG GLU 12 21.377 -1.628 3.692 92 HG3 GLU 12 2HG GLU 12 20.640 -3.186 4.128 93 H HIS 13 H HIS 13 16.743 -2.543 2.220 94 HA HIS 13 HA HIS 13 16.376 -1.704 -0.497 95 HB2 HIS 13 1HB HIS 13 15.605 -3.858 0.634 96 HB3 HIS 13 2HB HIS 13 14.302 -2.937 1.376 97 HD1 HIS 13 HD1 HIS 13 15.057 -4.879 -1.652 98 HD2 HIS 13 HD2 HIS 13 12.684 -1.562 -0.598 99 HE1 HIS 13 HE1 HIS 13 13.257 -4.712 -3.421 100 H ARG 14 H ARG 14 14.579 -0.957 2.527 101 HA ARG 14 HA ARG 14 12.878 1.032 1.498 102 HB2 ARG 14 1HB ARG 14 13.814 0.168 4.216 103 HB3 ARG 14 2HB ARG 14 13.130 1.785 4.096 104 HG2 ARG 14 1HG ARG 14 11.391 0.254 4.690 105 HG3 ARG 14 2HG ARG 14 11.079 0.944 3.102 106 HD2 ARG 14 1HD ARG 14 12.477 -1.698 3.111 107 HD3 ARG 14 2HD ARG 14 10.850 -1.682 3.794 108 HE ARG 14 HE ARG 14 11.192 -0.372 1.152 109 HH11 ARG 14 1HH1 ARG 14 10.138 -3.236 2.854 110 HH12 ARG 14 2HH1 ARG 14 9.182 -3.847 1.501 111 HH21 ARG 14 1HH2 ARG 14 9.798 -0.941 -0.442 112 HH22 ARG 14 2HH2 ARG 14 8.820 -2.411 -0.296 113 H CYS 15 H CYS 15 16.111 1.417 3.147 114 HA CYS 15 HA CYS 15 16.126 4.237 3.089 115 HB2 CYS 15 2HB CYS 15 18.344 2.159 3.048 116 HB3 CYS 15 3HB CYS 15 18.704 3.897 2.997 117 HG CYS 15 HG CYS 15 18.754 2.510 5.495 118 H VAL 16 H VAL 16 17.514 1.978 0.603 119 HA VAL 16 HA VAL 16 18.247 4.096 -1.162 120 HB VAL 16 HB VAL 16 17.751 1.119 -1.478 121 HG11 VAL 16 1HG1 VAL 16 17.335 1.941 -3.650 122 HG12 VAL 16 2HG1 VAL 16 18.745 3.049 -3.615 123 HG13 VAL 16 3HG1 VAL 16 18.948 1.262 -3.672 124 HG21 VAL 16 1HG2 VAL 16 20.201 1.032 -1.639 125 HG22 VAL 16 2HG2 VAL 16 20.290 2.811 -1.501 126 HG23 VAL 16 3HG2 VAL 16 19.715 1.828 -0.143 127 H GLU 17 H GLU 17 15.297 2.049 -1.049 128 HA GLU 17 HA GLU 17 14.019 3.000 -3.354 129 HB2 GLU 17 1HB GLU 17 13.389 1.003 -2.148 130 HB3 GLU 17 2HB GLU 17 13.089 1.944 -0.684 131 HG2 GLU 17 1HG GLU 17 11.150 2.986 -1.738 132 HG3 GLU 17 2HG GLU 17 11.406 1.998 -3.197 133 H SER 18 H SER 18 13.621 4.134 0.063 134 HA SER 18 HA SER 18 11.849 6.222 -0.457 135 HB2 SER 18 1HB SER 18 12.472 5.115 1.723 136 HB3 SER 18 2HB SER 18 13.950 6.082 1.745 137 HG SER 18 HG SER 18 12.087 6.818 2.929 138 H ALA 19 H ALA 19 15.477 6.361 -0.209 139 HA ALA 19 HA ALA 19 15.717 9.114 -0.657 140 HB1 ALA 19 1HB ALA 19 18.028 8.627 -1.337 141 HB2 ALA 19 2HB ALA 19 17.571 7.656 0.064 142 HB3 ALA 19 3HB ALA 19 17.632 6.904 -1.539 143 H LYS 20 H LYS 20 15.716 6.469 -3.106 144 HA LYS 20 HA LYS 20 15.985 8.232 -5.362 145 HB2 LYS 20 1HB LYS 20 14.862 5.392 -5.191 146 HB3 LYS 20 2HB LYS 20 15.171 6.290 -6.687 147 HG2 LYS 20 1HG LYS 20 17.576 6.542 -6.022 148 HG3 LYS 20 2HG LYS 20 17.308 5.448 -4.680 149 HD2 LYS 20 1HD LYS 20 16.789 4.753 -7.609 150 HD3 LYS 20 2HD LYS 20 18.301 4.427 -6.744 151 HE2 LYS 20 1HE LYS 20 17.140 3.006 -5.162 152 HE3 LYS 20 2HE LYS 20 15.589 3.301 -5.949 153 HZ1 LYS 20 1HZ LYS 20 16.696 1.193 -6.605 154 HZ2 LYS 20 2HZ LYS 20 17.872 2.047 -7.353 155 HZ3 LYS 20 3HZ LYS 20 16.300 2.147 -7.855 156 H ILE 21 H ILE 21 13.089 6.794 -3.758 157 HA ILE 21 HA ILE 21 11.202 7.791 -5.645 158 HB ILE 21 HB ILE 21 11.082 7.008 -2.721 159 HG12 ILE 21 1HG1 ILE 21 9.850 5.765 -5.233 160 HG13 ILE 21 2HG1 ILE 21 11.394 5.294 -4.578 161 HG21 ILE 21 1HG2 ILE 21 8.621 7.120 -2.774 162 HG22 ILE 21 2HG2 ILE 21 9.320 8.703 -2.924 163 HG23 ILE 21 3HG2 ILE 21 8.687 7.897 -4.374 164 HD11 ILE 21 1HD1 ILE 21 10.246 4.783 -2.380 165 HD12 ILE 21 2HD1 ILE 21 8.709 4.982 -3.203 166 HD13 ILE 21 3HD1 ILE 21 9.809 3.711 -3.746 167 H ARG 22 H ARG 22 12.509 9.309 -2.607 168 HA ARG 22 HA ARG 22 10.784 11.591 -3.007 169 HB2 ARG 22 1HB ARG 22 13.273 11.221 -1.303 170 HB3 ARG 22 2HB ARG 22 12.327 12.714 -1.316 171 HG2 ARG 22 1HG ARG 22 11.272 9.950 -0.576 172 HG3 ARG 22 2HG ARG 22 11.755 11.187 0.575 173 HD2 ARG 22 1HD ARG 22 9.458 11.534 -1.416 174 HD3 ARG 22 2HD ARG 22 9.303 10.939 0.228 175 HE ARG 22 HE ARG 22 10.597 13.582 -0.186 176 HH11 ARG 22 1HH1 ARG 22 7.570 11.946 0.478 177 HH12 ARG 22 2HH1 ARG 22 6.950 13.133 1.590 178 HH21 ARG 22 1HH2 ARG 22 9.809 15.236 1.320 179 HH22 ARG 22 2HH2 ARG 22 8.272 15.024 2.070 180 H ALA 23 H ALA 23 14.058 10.836 -4.193 181 HA ALA 23 HA ALA 23 14.523 13.512 -5.107 182 HB1 ALA 23 1HB ALA 23 16.341 11.884 -4.925 183 HB2 ALA 23 2HB ALA 23 15.596 10.862 -6.177 184 HB3 ALA 23 3HB ALA 23 16.210 12.477 -6.592 185 H LYS 24 H LYS 24 13.101 10.631 -6.727 186 HA LYS 24 HA LYS 24 12.558 12.127 -9.183 187 HB2 LYS 24 1HB LYS 24 11.988 9.315 -8.203 188 HB3 LYS 24 2HB LYS 24 11.245 9.930 -9.675 189 HG2 LYS 24 1HG LYS 24 13.294 8.649 -10.130 190 HG3 LYS 24 2HG LYS 24 13.327 10.305 -10.743 191 HD2 LYS 24 1HD LYS 24 14.839 10.995 -8.934 192 HD3 LYS 24 2HD LYS 24 14.726 9.383 -8.209 193 HE2 LYS 24 1HE LYS 24 16.806 9.594 -9.361 194 HE3 LYS 24 2HE LYS 24 15.801 8.418 -10.208 195 HZ1 LYS 24 1HZ LYS 24 15.491 9.853 -11.950 196 HZ2 LYS 24 2HZ LYS 24 17.055 10.193 -11.509 197 HZ3 LYS 24 3HZ LYS 24 15.880 11.229 -11.102 198 H TYR 25 H TYR 25 10.413 10.839 -6.589 199 HA TYR 25 HA TYR 25 8.271 12.674 -7.488 200 HB2 TYR 25 2HB TYR 25 7.878 9.899 -6.368 201 HB3 TYR 25 3HB TYR 25 6.696 10.960 -7.113 202 HD1 TYR 25 1HD TYR 25 8.885 8.205 -7.623 203 HD2 TYR 25 2HD TYR 25 7.120 11.585 -9.647 204 HE1 TYR 25 1HE TYR 25 9.313 7.110 -9.807 205 HE2 TYR 25 2HE TYR 25 7.503 10.490 -11.824 206 HH TYR 25 HH TYR 25 8.579 7.157 -12.153 207 HA PRO 26 HA PRO 26 9.495 13.401 -3.023 208 HB2 PRO 26 2HB PRO 26 9.194 16.139 -3.063 209 HB3 PRO 26 3HB PRO 26 10.683 15.281 -3.554 210 HG2 PRO 26 2HG PRO 26 8.484 16.358 -5.322 211 HG3 PRO 26 3HG PRO 26 10.261 16.529 -5.524 212 HD2 PRO 26 2HD PRO 26 8.826 14.626 -6.843 213 HD3 PRO 26 3HD PRO 26 10.487 14.286 -6.232 214 H ASP 27 H ASP 27 6.813 14.591 -5.004 215 HA ASP 27 HA ASP 27 5.130 15.083 -2.663 216 HB2 ASP 27 1HB ASP 27 5.293 16.468 -4.830 217 HB3 ASP 27 2HB ASP 27 4.308 15.205 -5.572 218 H ARG 28 H ARG 28 6.102 12.233 -3.696 219 HA ARG 28 HA ARG 28 3.410 10.987 -3.472 220 HB2 ARG 28 1HB ARG 28 5.788 9.902 -5.036 221 HB3 ARG 28 2HB ARG 28 4.289 9.043 -4.690 222 HG2 ARG 28 1HG ARG 28 3.047 10.844 -5.991 223 HG3 ARG 28 2HG ARG 28 4.623 11.433 -6.524 224 HD2 ARG 28 1HD ARG 28 5.065 8.946 -7.219 225 HD3 ARG 28 2HD ARG 28 3.337 8.700 -6.971 226 HE ARG 28 HE ARG 28 4.590 9.697 -9.260 227 HH11 ARG 28 1HH1 ARG 28 1.464 9.827 -7.884 228 HH12 ARG 28 2HH1 ARG 28 0.894 11.235 -8.739 229 HH21 ARG 28 1HH2 ARG 28 3.888 11.625 -10.528 230 HH22 ARG 28 2HH2 ARG 28 2.248 12.131 -10.325 231 H VAL 29 H VAL 29 3.268 9.248 -2.060 232 HA VAL 29 HA VAL 29 5.593 8.950 -0.265 233 HB VAL 29 HB VAL 29 4.004 8.521 1.505 234 HG11 VAL 29 1HG1 VAL 29 3.153 10.800 1.735 235 HG12 VAL 29 2HG1 VAL 29 4.800 10.818 1.076 236 HG13 VAL 29 3HG1 VAL 29 3.401 11.117 0.019 237 HG21 VAL 29 1HG2 VAL 29 1.611 8.945 1.244 238 HG22 VAL 29 2HG2 VAL 29 1.809 9.266 -0.487 239 HG23 VAL 29 3HG2 VAL 29 2.088 7.628 0.170 240 HA PRO 30 HA PRO 30 5.895 4.747 -1.655 241 HB2 PRO 30 2HB PRO 30 7.511 3.699 0.270 242 HB3 PRO 30 3HB PRO 30 8.060 5.010 -0.816 243 HG2 PRO 30 2HG PRO 30 7.052 5.229 2.031 244 HG3 PRO 30 3HG PRO 30 8.473 6.020 1.283 245 HD2 PRO 30 2HD PRO 30 6.000 7.225 1.571 246 HD3 PRO 30 3HD PRO 30 7.187 7.651 0.312 247 H VAL 31 H VAL 31 4.404 3.039 -1.623 248 HA VAL 31 HA VAL 31 3.420 2.139 1.002 249 HB VAL 31 HB VAL 31 1.676 2.610 -1.447 250 HG11 VAL 31 1HG1 VAL 31 -0.170 2.321 0.255 251 HG12 VAL 31 2HG1 VAL 31 0.763 0.852 -0.026 252 HG13 VAL 31 3HG1 VAL 31 1.055 1.819 1.436 253 HG21 VAL 31 1HG2 VAL 31 0.660 4.463 -0.167 254 HG22 VAL 31 2HG2 VAL 31 1.926 4.313 1.055 255 HG23 VAL 31 3HG2 VAL 31 2.331 4.797 -0.601 256 H ILE 32 H ILE 32 2.928 -0.053 1.117 257 HA ILE 32 HA ILE 32 3.550 -1.786 -1.205 258 HB ILE 32 HB ILE 32 4.295 -2.261 1.712 259 HG12 ILE 32 1HG1 ILE 32 5.891 -0.778 0.601 260 HG13 ILE 32 2HG1 ILE 32 6.614 -2.332 0.940 261 HG21 ILE 32 1HG2 ILE 32 3.534 -4.345 0.705 262 HG22 ILE 32 2HG2 ILE 32 4.543 -4.088 -0.718 263 HG23 ILE 32 3HG2 ILE 32 5.286 -4.396 0.875 264 HD11 ILE 32 1HD1 ILE 32 7.269 -1.438 -1.288 265 HD12 ILE 32 2HD1 ILE 32 6.382 -2.959 -1.471 266 HD13 ILE 32 3HD1 ILE 32 5.585 -1.412 -1.785 267 H VAL 33 H VAL 33 2.006 -3.299 -1.589 268 HA VAL 33 HA VAL 33 -0.385 -3.311 0.160 269 HB VAL 33 HB VAL 33 -0.152 -3.309 -2.877 270 HG11 VAL 33 1HG1 VAL 33 -2.584 -3.172 -2.931 271 HG12 VAL 33 2HG1 VAL 33 -2.084 -4.658 -2.116 272 HG13 VAL 33 3HG1 VAL 33 -2.670 -3.268 -1.175 273 HG21 VAL 33 1HG2 VAL 33 0.253 -1.059 -2.062 274 HG22 VAL 33 2HG2 VAL 33 -1.376 -1.127 -2.729 275 HG23 VAL 33 3HG2 VAL 33 -1.139 -1.157 -0.965 276 H GLU 34 H GLU 34 -0.532 -5.412 1.093 277 HA GLU 34 HA GLU 34 0.094 -7.663 -0.784 278 HB2 GLU 34 1HB GLU 34 1.094 -7.465 2.069 279 HB3 GLU 34 2HB GLU 34 1.053 -8.955 1.130 280 HG2 GLU 34 1HG GLU 34 2.546 -8.007 -0.564 281 HG3 GLU 34 2HG GLU 34 2.556 -6.453 0.264 282 H LYS 35 H LYS 35 -1.098 -9.657 -0.301 283 HA LYS 35 HA LYS 35 -3.754 -8.954 0.797 284 HB2 LYS 35 1HB LYS 35 -4.635 -10.796 -0.415 285 HB3 LYS 35 2HB LYS 35 -3.586 -9.872 -1.463 286 HG2 LYS 35 1HG LYS 35 -3.057 -11.937 -2.089 287 HG3 LYS 35 2HG LYS 35 -1.756 -11.652 -0.944 288 HD2 LYS 35 1HD LYS 35 -2.779 -13.178 0.633 289 HD3 LYS 35 2HD LYS 35 -4.326 -13.122 -0.232 290 HE2 LYS 35 1HE LYS 35 -3.222 -15.249 -0.632 291 HE3 LYS 35 2HE LYS 35 -3.400 -14.319 -2.126 292 HZ1 LYS 35 1HZ LYS 35 -1.204 -15.286 -1.993 293 HZ2 LYS 35 2HZ LYS 35 -0.897 -14.548 -0.554 294 HZ3 LYS 35 3HZ LYS 35 -1.092 -13.663 -1.945 295 H VAL 36 H VAL 36 -4.900 -10.267 2.186 296 HA VAL 36 HA VAL 36 -3.413 -11.425 4.370 297 HB VAL 36 HB VAL 36 -6.358 -11.254 3.583 298 HG11 VAL 36 1HG1 VAL 36 -5.187 -12.465 6.098 299 HG12 VAL 36 2HG1 VAL 36 -6.886 -11.980 5.931 300 HG13 VAL 36 3HG1 VAL 36 -6.227 -13.271 4.909 301 HG21 VAL 36 1HG2 VAL 36 -4.723 -9.914 5.786 302 HG22 VAL 36 2HG2 VAL 36 -5.275 -9.133 4.304 303 HG23 VAL 36 3HG2 VAL 36 -6.449 -9.670 5.511 304 H SER 37 H SER 37 -2.677 -13.538 4.505 305 HA SER 37 HA SER 37 -2.829 -15.272 2.271 306 HB2 SER 37 1HB SER 37 -1.109 -15.216 4.140 307 HB3 SER 37 2HB SER 37 -2.278 -16.080 5.158 308 HG SER 37 HG SER 37 -2.115 -17.834 3.883 309 H GLY 38 H GLY 38 -4.106 -17.019 1.786 310 HA2 GLY 38 1HA GLY 38 -5.851 -18.486 1.837 311 HA3 GLY 38 2HA GLY 38 -6.047 -18.163 3.556 312 H SER 39 H SER 39 -6.243 -15.467 1.230 313 HA SER 39 HA SER 39 -9.120 -15.185 1.904 314 HB2 SER 39 1HB SER 39 -7.306 -13.351 2.241 315 HB3 SER 39 2HB SER 39 -7.382 -13.140 0.490 316 HG SER 39 HG SER 39 -9.217 -12.688 2.544 317 H GLN 40 H GLN 40 -10.669 -15.226 0.256 318 HA GLN 40 HA GLN 40 -10.119 -16.617 -2.156 319 HB2 GLN 40 1HB GLN 40 -12.510 -14.984 -1.162 320 HB3 GLN 40 2HB GLN 40 -12.524 -15.727 -2.749 321 HG2 GLN 40 1HG GLN 40 -12.382 -17.174 -0.118 322 HG3 GLN 40 2HG GLN 40 -13.689 -17.180 -1.273 323 HE21 GLN 40 1HE2 GLN 40 -12.026 -19.398 -3.597 324 HE22 GLN 40 2HE2 GLN 40 -13.098 -18.016 -3.591 325 H ILE 41 H ILE 41 -9.405 -13.345 -1.604 326 HA ILE 41 HA ILE 41 -10.168 -12.433 -4.263 327 HB ILE 41 HB ILE 41 -10.298 -10.975 -2.305 328 HG12 ILE 41 1HG1 ILE 41 -9.269 -8.968 -3.155 329 HG13 ILE 41 2HG1 ILE 41 -8.281 -9.865 -4.285 330 HG21 ILE 41 1HG2 ILE 41 -7.256 -11.078 -2.205 331 HG22 ILE 41 2HG2 ILE 41 -8.296 -10.008 -1.242 332 HG23 ILE 41 3HG2 ILE 41 -8.367 -11.756 -0.996 333 HD11 ILE 41 1HD1 ILE 41 -10.311 -8.835 -5.323 334 HD12 ILE 41 2HD1 ILE 41 -10.299 -10.592 -5.513 335 HD13 ILE 41 3HD1 ILE 41 -11.334 -9.847 -4.276 336 H VAL 42 H VAL 42 -8.570 -11.466 -5.750 337 HA VAL 42 HA VAL 42 -6.608 -13.385 -6.504 338 HB VAL 42 HB VAL 42 -5.985 -11.620 -8.185 339 HG11 VAL 42 1HG1 VAL 42 -7.748 -13.282 -8.668 340 HG12 VAL 42 2HG1 VAL 42 -8.978 -12.196 -7.977 341 HG13 VAL 42 3HG1 VAL 42 -8.090 -11.729 -9.441 342 HG21 VAL 42 1HG2 VAL 42 -8.299 -9.980 -7.053 343 HG22 VAL 42 2HG2 VAL 42 -6.580 -9.614 -6.802 344 HG23 VAL 42 3HG2 VAL 42 -7.241 -9.611 -8.434 345 H ASP 43 H ASP 43 -4.399 -13.290 -6.361 346 HA ASP 43 HA ASP 43 -3.277 -11.886 -4.073 347 HB2 ASP 43 1HB ASP 43 -2.704 -14.266 -4.608 348 HB3 ASP 43 2HB ASP 43 -2.010 -13.747 -6.146 349 H ILE 44 H ILE 44 -1.219 -10.609 -4.357 350 HA ILE 44 HA ILE 44 -1.224 -9.121 -6.936 351 HB ILE 44 HB ILE 44 -2.252 -7.781 -5.208 352 HG12 ILE 44 1HG1 ILE 44 0.539 -6.688 -5.648 353 HG13 ILE 44 2HG1 ILE 44 -0.632 -6.851 -6.961 354 HG21 ILE 44 1HG2 ILE 44 -1.006 -7.032 -3.193 355 HG22 ILE 44 2HG2 ILE 44 -1.302 -8.775 -3.163 356 HG23 ILE 44 3HG2 ILE 44 0.308 -8.136 -3.582 357 HD11 ILE 44 1HD1 ILE 44 -1.022 -5.175 -4.451 358 HD12 ILE 44 2HD1 ILE 44 -0.640 -4.586 -6.075 359 HD13 ILE 44 3HD1 ILE 44 -2.197 -5.383 -5.777 360 H ASP 45 H ASP 45 0.750 -8.806 -7.871 361 HA ASP 45 HA ASP 45 2.899 -10.524 -6.938 362 HB2 ASP 45 1HB ASP 45 4.053 -9.892 -8.905 363 HB3 ASP 45 2HB ASP 45 2.383 -10.221 -9.343 364 H LYS 46 H LYS 46 5.093 -9.606 -6.502 365 HA LYS 46 HA LYS 46 4.784 -7.577 -4.450 366 HB2 LYS 46 1HB LYS 46 7.100 -9.225 -5.507 367 HB3 LYS 46 2HB LYS 46 7.346 -7.913 -4.364 368 HG2 LYS 46 1HG LYS 46 7.120 -9.729 -2.909 369 HG3 LYS 46 2HG LYS 46 5.519 -9.026 -2.908 370 HD2 LYS 46 1HD LYS 46 4.672 -10.729 -4.426 371 HD3 LYS 46 2HD LYS 46 6.316 -11.334 -4.732 372 HE2 LYS 46 1HE LYS 46 6.484 -12.098 -2.404 373 HE3 LYS 46 2HE LYS 46 4.872 -11.440 -2.048 374 HZ1 LYS 46 1HZ LYS 46 5.470 -13.589 -3.996 375 HZ2 LYS 46 2HZ LYS 46 3.971 -12.952 -3.700 376 HZ3 LYS 46 3HZ LYS 46 4.713 -13.805 -2.543 377 H ARG 47 H ARG 47 4.441 -5.540 -4.991 378 HA ARG 47 HA ARG 47 6.328 -4.218 -6.871 379 HB2 ARG 47 1HB ARG 47 3.311 -3.931 -6.685 380 HB3 ARG 47 2HB ARG 47 4.335 -2.913 -7.704 381 HG2 ARG 47 1HG ARG 47 4.114 -5.953 -8.004 382 HG3 ARG 47 2HG ARG 47 3.136 -4.812 -8.877 383 HD2 ARG 47 1HD ARG 47 6.118 -4.524 -9.031 384 HD3 ARG 47 2HD ARG 47 5.291 -5.780 -9.946 385 HE ARG 47 HE ARG 47 3.931 -3.307 -10.312 386 HH11 ARG 47 1HH1 ARG 47 6.778 -5.122 -11.459 387 HH12 ARG 47 2HH1 ARG 47 6.563 -4.623 -13.097 388 HH21 ARG 47 1HH2 ARG 47 3.705 -2.642 -12.400 389 HH22 ARG 47 2HH2 ARG 47 4.794 -3.229 -13.634 390 H LYS 48 H LYS 48 6.449 -1.921 -6.612 391 HA LYS 48 HA LYS 48 6.061 -0.969 -3.811 392 HB2 LYS 48 1HB LYS 48 7.951 0.345 -5.771 393 HB3 LYS 48 2HB LYS 48 7.921 0.412 -4.016 394 HG2 LYS 48 1HG LYS 48 8.521 -2.122 -4.098 395 HG3 LYS 48 2HG LYS 48 8.830 -1.851 -5.817 396 HD2 LYS 48 1HD LYS 48 10.360 0.158 -4.714 397 HD3 LYS 48 2HD LYS 48 10.409 -1.069 -3.425 398 HE2 LYS 48 1HE LYS 48 11.043 -2.753 -5.230 399 HE3 LYS 48 2HE LYS 48 11.256 -1.393 -6.322 400 HZ1 LYS 48 1HZ LYS 48 13.248 -2.244 -5.263 401 HZ2 LYS 48 2HZ LYS 48 12.731 -1.826 -3.795 402 HZ3 LYS 48 3HZ LYS 48 13.047 -0.632 -4.932 403 H TYR 49 H TYR 49 4.071 -0.062 -3.800 404 HA TYR 49 HA TYR 49 2.963 1.369 -6.124 405 HB2 TYR 49 2HB TYR 49 1.996 0.112 -3.561 406 HB3 TYR 49 3HB TYR 49 1.093 1.465 -4.154 407 HD1 TYR 49 1HD TYR 49 2.752 -1.468 -5.906 408 HD2 TYR 49 2HD TYR 49 -0.862 0.777 -5.198 409 HE1 TYR 49 1HE TYR 49 1.550 -2.871 -7.550 410 HE2 TYR 49 2HE TYR 49 -2.077 -0.683 -6.805 411 HH TYR 49 HH TYR 49 -0.423 -3.387 -8.507 412 H LEU 50 H LEU 50 3.359 3.447 -6.389 413 HA LEU 50 HA LEU 50 4.059 5.168 -4.041 414 HB2 LEU 50 1HB LEU 50 4.417 5.733 -7.008 415 HB3 LEU 50 2HB LEU 50 5.053 6.650 -5.667 416 HG LEU 50 HG LEU 50 5.967 4.004 -6.812 417 HD11 LEU 50 1HD1 LEU 50 6.941 6.170 -7.578 418 HD12 LEU 50 2HD1 LEU 50 8.144 5.113 -6.821 419 HD13 LEU 50 3HD1 LEU 50 7.472 6.494 -5.922 420 HD21 LEU 50 1HD2 LEU 50 5.926 3.416 -4.453 421 HD22 LEU 50 2HD2 LEU 50 6.654 4.963 -4.015 422 HD23 LEU 50 3HD2 LEU 50 7.582 3.734 -4.924 423 H VAL 51 H VAL 51 2.365 6.600 -3.298 424 HA VAL 51 HA VAL 51 0.275 7.290 -5.297 425 HB VAL 51 HB VAL 51 -1.134 7.717 -3.342 426 HG11 VAL 51 1HG1 VAL 51 -0.437 4.796 -3.311 427 HG12 VAL 51 2HG1 VAL 51 -2.005 5.589 -3.111 428 HG13 VAL 51 3HG1 VAL 51 -1.263 5.580 -4.711 429 HG21 VAL 51 1HG2 VAL 51 -0.706 6.522 -1.218 430 HG22 VAL 51 2HG2 VAL 51 0.965 6.245 -1.749 431 HG23 VAL 51 3HG2 VAL 51 0.350 7.895 -1.517 432 HA PRO 52 HA PRO 52 1.714 11.457 -4.500 433 HB2 PRO 52 2HB PRO 52 -0.371 13.006 -5.326 434 HB3 PRO 52 3HB PRO 52 0.720 12.166 -6.457 435 HG2 PRO 52 2HG PRO 52 -1.997 11.340 -5.501 436 HG3 PRO 52 3HG PRO 52 -1.384 11.255 -7.127 437 HD2 PRO 52 2HD PRO 52 -1.467 9.074 -5.409 438 HD3 PRO 52 3HD PRO 52 -0.197 9.250 -6.647 439 H SER 53 H SER 53 1.653 12.767 -2.775 440 HA SER 53 HA SER 53 0.330 12.142 -0.382 441 HB2 SER 53 1HB SER 53 2.531 13.230 -0.825 442 HB3 SER 53 2HB SER 53 1.683 14.674 -1.396 443 HG SER 53 HG SER 53 2.194 15.142 0.554 444 H ASP 54 H ASP 54 -0.806 14.112 -3.074 445 HA ASP 54 HA ASP 54 -2.508 15.813 -1.440 446 HB2 ASP 54 1HB ASP 54 -1.298 16.315 -3.698 447 HB3 ASP 54 2HB ASP 54 -2.710 15.548 -4.436 448 H ILE 55 H ILE 55 -2.989 12.791 -3.287 449 HA ILE 55 HA ILE 55 -5.854 13.048 -3.353 450 HB ILE 55 HB ILE 55 -5.899 10.746 -4.076 451 HG12 ILE 55 1HG1 ILE 55 -3.116 10.089 -4.298 452 HG13 ILE 55 2HG1 ILE 55 -3.407 10.525 -2.637 453 HG21 ILE 55 1HG2 ILE 55 -5.562 12.341 -5.772 454 HG22 ILE 55 2HG2 ILE 55 -3.858 12.575 -5.387 455 HG23 ILE 55 3HG2 ILE 55 -4.381 11.069 -6.121 456 HD11 ILE 55 1HD1 ILE 55 -3.676 8.100 -3.110 457 HD12 ILE 55 2HD1 ILE 55 -5.092 8.857 -2.373 458 HD13 ILE 55 3HD1 ILE 55 -5.094 8.479 -4.110 459 H THR 56 H THR 56 -7.275 11.244 -2.368 460 HA THR 56 HA THR 56 -6.690 11.129 0.528 461 HB THR 56 HB THR 56 -9.275 10.830 0.561 462 HG1 THR 56 1HG THR 56 -10.305 11.723 -1.226 463 HG21 THR 56 1HG2 THR 56 -9.661 13.267 0.417 464 HG22 THR 56 2HG2 THR 56 -8.058 13.479 -0.343 465 HG23 THR 56 3HG2 THR 56 -8.193 12.901 1.336 466 H VAL 57 H VAL 57 -7.340 9.360 1.715 467 HA VAL 57 HA VAL 57 -6.456 6.852 0.918 468 HB VAL 57 HB VAL 57 -8.437 7.683 3.055 469 HG11 VAL 57 1HG1 VAL 57 -6.805 5.118 2.904 470 HG12 VAL 57 2HG1 VAL 57 -7.897 5.627 4.218 471 HG13 VAL 57 3HG1 VAL 57 -8.559 5.224 2.640 472 HG21 VAL 57 1HG2 VAL 57 -6.444 7.557 4.533 473 HG22 VAL 57 2HG2 VAL 57 -5.429 7.254 3.091 474 HG23 VAL 57 3HG2 VAL 57 -6.261 8.798 3.299 475 H ALA 58 H ALA 58 -9.713 8.254 0.586 476 HA ALA 58 HA ALA 58 -11.149 5.936 -0.184 477 HB1 ALA 58 1HB ALA 58 -11.464 8.901 -0.883 478 HB2 ALA 58 2HB ALA 58 -12.670 7.670 -1.269 479 HB3 ALA 58 3HB ALA 58 -12.274 8.029 0.427 480 H GLN 59 H GLN 59 -9.373 8.365 -2.153 481 HA GLN 59 HA GLN 59 -10.124 7.246 -4.691 482 HB2 GLN 59 1HB GLN 59 -7.800 9.077 -3.936 483 HB3 GLN 59 2HB GLN 59 -8.345 8.713 -5.580 484 HG2 GLN 59 1HG GLN 59 -10.617 9.585 -4.991 485 HG3 GLN 59 2HG GLN 59 -10.030 10.042 -3.409 486 HE21 GLN 59 1HE2 GLN 59 -8.403 13.005 -4.558 487 HE22 GLN 59 2HE2 GLN 59 -8.756 11.938 -3.198 488 H PHE 60 H PHE 60 -7.284 6.818 -2.521 489 HA PHE 60 HA PHE 60 -5.856 5.073 -4.254 490 HB2 PHE 60 2HB PHE 60 -4.868 6.015 -2.225 491 HB3 PHE 60 3HB PHE 60 -6.010 5.151 -1.213 492 HD1 PHE 60 1HD PHE 60 -4.803 3.637 0.103 493 HD2 PHE 60 2HD PHE 60 -3.804 4.000 -4.085 494 HE1 PHE 60 1HE PHE 60 -3.057 1.916 0.374 495 HE2 PHE 60 2HE PHE 60 -2.039 2.283 -3.796 496 HZ PHE 60 HZ PHE 60 -1.635 1.254 -1.567 497 H MET 61 H MET 61 -8.386 4.361 -1.790 498 HA MET 61 HA MET 61 -8.437 1.590 -2.127 499 HB2 MET 61 1HB MET 61 -9.595 2.871 -0.303 500 HB3 MET 61 2HB MET 61 -10.862 3.300 -1.457 501 HG2 MET 61 1HG MET 61 -11.485 0.989 -1.749 502 HG3 MET 61 2HG MET 61 -10.019 0.436 -0.954 503 HE1 MET 61 1HE MET 61 -13.193 2.565 1.634 504 HE2 MET 61 2HE MET 61 -12.040 3.421 0.601 505 HE3 MET 61 3HE MET 61 -13.373 2.489 -0.137 506 H TRP 62 H TRP 62 -10.398 4.066 -3.926 507 HA TRP 62 HA TRP 62 -11.857 2.180 -5.452 508 HB2 TRP 62 2HB TRP 62 -11.220 5.083 -5.786 509 HB3 TRP 62 3HB TRP 62 -11.864 4.202 -7.156 510 HD1 TRP 62 HD1 TRP 62 -12.851 5.290 -3.652 511 HE1 TRP 62 1HE TRP 62 -15.395 5.193 -3.372 512 HE3 TRP 62 3HE TRP 62 -14.006 2.968 -8.043 513 HZ2 TRP 62 2HZ TRP 62 -17.652 4.102 -4.843 514 HZ3 TRP 62 3HZ TRP 62 -16.352 2.355 -8.554 515 HH2 TRP 62 HH2 TRP 62 -18.180 2.927 -6.971 516 H ILE 63 H ILE 63 -8.644 3.674 -6.088 517 HA ILE 63 HA ILE 63 -8.425 2.467 -8.680 518 HB ILE 63 HB ILE 63 -6.230 3.519 -6.873 519 HG12 ILE 63 1HG1 ILE 63 -7.437 4.945 -9.286 520 HG13 ILE 63 2HG1 ILE 63 -8.205 5.117 -7.723 521 HG21 ILE 63 1HG2 ILE 63 -6.354 2.718 -9.821 522 HG22 ILE 63 2HG2 ILE 63 -5.102 3.790 -9.198 523 HG23 ILE 63 3HG2 ILE 63 -5.230 2.133 -8.572 524 HD11 ILE 63 1HD1 ILE 63 -5.336 5.883 -8.330 525 HD12 ILE 63 2HD1 ILE 63 -6.718 6.947 -8.001 526 HD13 ILE 63 3HD1 ILE 63 -6.091 5.910 -6.716 527 H ILE 64 H ILE 64 -7.296 1.360 -5.398 528 HA ILE 64 HA ILE 64 -5.947 -0.963 -6.298 529 HB ILE 64 HB ILE 64 -7.538 -0.422 -3.771 530 HG12 ILE 64 1HG1 ILE 64 -4.532 -0.712 -3.961 531 HG13 ILE 64 2HG1 ILE 64 -5.314 0.829 -4.304 532 HG21 ILE 64 1HG2 ILE 64 -6.365 -2.444 -2.762 533 HG22 ILE 64 2HG2 ILE 64 -7.533 -2.858 -4.001 534 HG23 ILE 64 3HG2 ILE 64 -5.812 -2.855 -4.387 535 HD11 ILE 64 1HD1 ILE 64 -5.655 -0.718 -1.689 536 HD12 ILE 64 2HD1 ILE 64 -4.617 0.668 -1.962 537 HD13 ILE 64 3HD1 ILE 64 -6.363 0.864 -2.085 538 H ARG 65 H ARG 65 -9.464 -0.711 -5.299 539 HA ARG 65 HA ARG 65 -10.003 -3.395 -5.993 540 HB2 ARG 65 1HB ARG 65 -12.356 -2.800 -5.909 541 HB3 ARG 65 2HB ARG 65 -11.465 -2.071 -4.598 542 HG2 ARG 65 1HG ARG 65 -11.394 0.049 -5.818 543 HG3 ARG 65 2HG ARG 65 -12.412 -0.624 -7.101 544 HD2 ARG 65 1HD ARG 65 -13.090 -0.270 -4.156 545 HD3 ARG 65 2HD ARG 65 -13.679 0.740 -5.499 546 HE ARG 65 HE ARG 65 -14.379 -1.863 -6.167 547 HH11 ARG 65 1HH1 ARG 65 -15.058 0.441 -3.572 548 HH12 ARG 65 2HH1 ARG 65 -16.579 -0.247 -3.097 549 HH21 ARG 65 1HH2 ARG 65 -16.603 -2.590 -5.808 550 HH22 ARG 65 2HH2 ARG 65 -17.517 -1.909 -4.502 551 H LYS 66 H LYS 66 -10.024 -0.516 -8.149 552 HA LYS 66 HA LYS 66 -11.091 -2.111 -10.351 553 HB2 LYS 66 1HB LYS 66 -9.563 0.521 -10.311 554 HB3 LYS 66 2HB LYS 66 -10.205 -0.239 -11.777 555 HG2 LYS 66 1HG LYS 66 -12.499 -0.261 -10.704 556 HG3 LYS 66 2HG LYS 66 -11.855 0.711 -9.385 557 HD2 LYS 66 1HD LYS 66 -11.922 1.475 -12.335 558 HD3 LYS 66 2HD LYS 66 -12.967 2.116 -11.055 559 HE2 LYS 66 1HE LYS 66 -10.984 3.060 -9.891 560 HE3 LYS 66 2HE LYS 66 -9.932 2.404 -11.153 561 HZ1 LYS 66 1HZ LYS 66 -12.024 4.439 -11.556 562 HZ2 LYS 66 2HZ LYS 66 -11.066 3.827 -12.757 563 HZ3 LYS 66 3HZ LYS 66 -10.403 4.700 -11.582 564 H ARG 67 H ARG 67 -7.740 -1.341 -9.233 565 HA ARG 67 HA ARG 67 -6.371 -2.395 -11.461 566 HB2 ARG 67 1HB ARG 67 -5.690 -2.017 -8.511 567 HB3 ARG 67 2HB ARG 67 -4.571 -2.745 -9.631 568 HG2 ARG 67 1HG ARG 67 -5.661 -0.110 -10.509 569 HG3 ARG 67 2HG ARG 67 -4.640 -0.099 -9.069 570 HD2 ARG 67 1HD ARG 67 -3.303 0.274 -11.134 571 HD3 ARG 67 2HD ARG 67 -2.796 -1.145 -10.224 572 HE ARG 67 HE ARG 67 -3.445 -2.537 -11.902 573 HH11 ARG 67 1HH1 ARG 67 -4.519 0.755 -12.840 574 HH12 ARG 67 2HH1 ARG 67 -5.105 0.208 -14.378 575 HH21 ARG 67 1HH2 ARG 67 -4.300 -3.196 -13.776 576 HH22 ARG 67 2HH2 ARG 67 -4.949 -2.123 -14.971 577 H ILE 68 H ILE 68 -7.305 -3.956 -8.349 578 HA ILE 68 HA ILE 68 -6.367 -6.528 -9.348 579 HB ILE 68 HB ILE 68 -7.021 -7.456 -7.307 580 HG12 ILE 68 1HG1 ILE 68 -8.707 -4.986 -6.794 581 HG13 ILE 68 2HG1 ILE 68 -9.276 -6.642 -7.084 582 HG21 ILE 68 1HG2 ILE 68 -5.761 -6.223 -5.756 583 HG22 ILE 68 2HG2 ILE 68 -5.062 -5.891 -7.332 584 HG23 ILE 68 3HG2 ILE 68 -6.088 -4.665 -6.556 585 HD11 ILE 68 1HD1 ILE 68 -9.457 -6.325 -4.759 586 HD12 ILE 68 2HD1 ILE 68 -8.058 -7.382 -5.010 587 HD13 ILE 68 3HD1 ILE 68 -7.814 -5.660 -4.624 588 H GLN 69 H GLN 69 -9.024 -4.795 -10.230 589 HA GLN 69 HA GLN 69 -11.004 -5.210 -11.208 590 HB2 GLN 69 1HB GLN 69 -9.661 -7.843 -11.952 591 HB3 GLN 69 2HB GLN 69 -11.061 -7.128 -12.757 592 HG2 GLN 69 1HG GLN 69 -9.770 -5.262 -13.561 593 HG3 GLN 69 2HG GLN 69 -8.400 -5.660 -12.560 594 HE21 GLN 69 1HE2 GLN 69 -8.816 -7.619 -16.120 595 HE22 GLN 69 2HE2 GLN 69 -10.189 -6.776 -15.446 596 H LEU 70 H LEU 70 -11.299 -5.306 -8.672 597 HA LEU 70 HA LEU 70 -12.252 -7.716 -7.435 598 HB2 LEU 70 1HB LEU 70 -11.318 -5.926 -6.137 599 HB3 LEU 70 2HB LEU 70 -12.453 -4.768 -6.767 600 HG LEU 70 HG LEU 70 -12.692 -5.655 -4.325 601 HD11 LEU 70 1HD1 LEU 70 -15.238 -5.605 -5.920 602 HD12 LEU 70 2HD1 LEU 70 -14.346 -4.169 -5.358 603 HD13 LEU 70 3HD1 LEU 70 -15.008 -5.327 -4.198 604 HD21 LEU 70 1HD2 LEU 70 -13.951 -7.587 -3.935 605 HD22 LEU 70 2HD2 LEU 70 -12.567 -8.038 -4.934 606 HD23 LEU 70 3HD2 LEU 70 -14.186 -7.887 -5.662 607 HA PRO 71 HA PRO 71 -16.200 -7.155 -9.739 608 HB2 PRO 71 2HB PRO 71 -17.348 -9.570 -9.170 609 HB3 PRO 71 3HB PRO 71 -16.043 -9.401 -10.394 610 HG2 PRO 71 2HG PRO 71 -15.759 -10.218 -7.482 611 HG3 PRO 71 3HG PRO 71 -15.089 -11.044 -8.932 612 HD2 PRO 71 2HD PRO 71 -13.616 -9.332 -7.410 613 HD3 PRO 71 3HD PRO 71 -13.469 -9.389 -9.186 614 H SER 72 H SER 72 -18.455 -6.852 -8.955 615 HA SER 72 HA SER 72 -18.695 -5.904 -6.325 616 HB2 SER 72 1HB SER 72 -20.802 -6.814 -8.304 617 HB3 SER 72 2HB SER 72 -21.147 -6.000 -6.764 618 HG SER 72 HG SER 72 -21.051 -4.448 -8.200 619 H GLU 73 H GLU 73 -19.075 -9.191 -7.494 620 HA GLU 73 HA GLU 73 -20.628 -10.233 -5.381 621 HB2 GLU 73 1HB GLU 73 -19.857 -12.427 -6.104 622 HB3 GLU 73 2HB GLU 73 -20.383 -11.378 -7.410 623 HG2 GLU 73 1HG GLU 73 -17.807 -10.858 -7.588 624 HG3 GLU 73 2HG GLU 73 -17.646 -12.418 -6.804 625 H LYS 74 H LYS 74 -17.169 -9.499 -5.518 626 HA LYS 74 HA LYS 74 -16.875 -10.682 -2.789 627 HB2 LYS 74 1HB LYS 74 -14.592 -9.781 -4.558 628 HB3 LYS 74 2HB LYS 74 -14.517 -10.738 -3.095 629 HG2 LYS 74 1HG LYS 74 -15.600 -11.589 -5.796 630 HG3 LYS 74 2HG LYS 74 -14.081 -12.076 -5.083 631 HD2 LYS 74 1HD LYS 74 -16.809 -12.723 -3.894 632 HD3 LYS 74 2HD LYS 74 -15.954 -13.748 -5.025 633 HE2 LYS 74 1HE LYS 74 -14.097 -14.078 -3.488 634 HE3 LYS 74 2HE LYS 74 -14.757 -12.864 -2.362 635 HZ1 LYS 74 1HZ LYS 74 -16.035 -15.449 -3.025 636 HZ2 LYS 74 2HZ LYS 74 -16.667 -14.278 -2.045 637 HZ3 LYS 74 3HZ LYS 74 -15.327 -15.058 -1.581 638 H ALA 75 H ALA 75 -15.437 -9.310 -1.347 639 HA ALA 75 HA ALA 75 -16.273 -6.459 -1.503 640 HB1 ALA 75 1HB ALA 75 -15.694 -8.186 0.944 641 HB2 ALA 75 2HB ALA 75 -16.224 -6.483 0.941 642 HB3 ALA 75 3HB ALA 75 -17.321 -7.743 0.363 643 H ILE 76 H ILE 76 -14.650 -5.080 -0.182 644 HA ILE 76 HA ILE 76 -11.929 -6.078 -0.184 645 HB ILE 76 HB ILE 76 -12.076 -5.230 -2.392 646 HG12 ILE 76 1HG1 ILE 76 -10.544 -2.978 -1.231 647 HG13 ILE 76 2HG1 ILE 76 -10.160 -4.545 -0.518 648 HG21 ILE 76 1HG2 ILE 76 -12.603 -2.988 -3.042 649 HG22 ILE 76 2HG2 ILE 76 -13.982 -3.666 -2.173 650 HG23 ILE 76 3HG2 ILE 76 -12.903 -2.502 -1.371 651 HD11 ILE 76 1HD1 ILE 76 -9.664 -5.502 -2.676 652 HD12 ILE 76 2HD1 ILE 76 -10.085 -3.979 -3.497 653 HD13 ILE 76 3HD1 ILE 76 -8.688 -4.057 -2.390 654 H PHE 77 H PHE 77 -11.136 -5.698 1.707 655 HA PHE 77 HA PHE 77 -11.927 -3.233 3.185 656 HB2 PHE 77 2HB PHE 77 -11.345 -5.976 4.371 657 HB3 PHE 77 3HB PHE 77 -11.872 -4.538 5.235 658 HD1 PHE 77 1HD PHE 77 -12.929 -7.596 3.760 659 HD2 PHE 77 2HD PHE 77 -14.218 -3.518 4.370 660 HE1 PHE 77 1HE PHE 77 -15.285 -8.283 3.427 661 HE2 PHE 77 2HE PHE 77 -16.589 -4.241 4.070 662 HZ PHE 77 HZ PHE 77 -17.124 -6.617 3.614 663 H LEU 78 H LEU 78 -10.164 -2.119 4.059 664 HA LEU 78 HA LEU 78 -7.451 -3.220 3.526 665 HB2 LEU 78 1HB LEU 78 -8.543 -0.366 3.536 666 HB3 LEU 78 2HB LEU 78 -6.826 -0.750 3.458 667 HG LEU 78 HG LEU 78 -8.911 -1.668 1.428 668 HD11 LEU 78 1HD1 LEU 78 -7.839 -0.039 -0.125 669 HD12 LEU 78 2HD1 LEU 78 -6.856 0.565 1.226 670 HD13 LEU 78 3HD1 LEU 78 -8.624 0.735 1.255 671 HD21 LEU 78 1HD2 LEU 78 -6.939 -2.230 0.003 672 HD22 LEU 78 2HD2 LEU 78 -7.075 -3.185 1.472 673 HD23 LEU 78 3HD2 LEU 78 -5.881 -1.883 1.397 674 H PHE 79 H PHE 79 -5.900 -2.936 5.041 675 HA PHE 79 HA PHE 79 -6.666 -1.912 7.741 676 HB2 PHE 79 2HB PHE 79 -5.333 -4.599 7.249 677 HB3 PHE 79 3HB PHE 79 -5.846 -3.942 8.787 678 HD1 PHE 79 1HD PHE 79 -7.075 -5.345 5.523 679 HD2 PHE 79 2HD PHE 79 -8.121 -4.258 9.563 680 HE1 PHE 79 1HE PHE 79 -9.204 -6.532 5.291 681 HE2 PHE 79 2HE PHE 79 -10.233 -5.523 9.360 682 HZ PHE 79 HZ PHE 79 -10.800 -6.681 7.206 683 H VAL 80 H VAL 80 -5.020 -0.625 8.571 684 HA VAL 80 HA VAL 80 -2.245 -1.128 7.643 685 HB VAL 80 HB VAL 80 -3.123 0.648 6.353 686 HG11 VAL 80 1HG1 VAL 80 -3.706 2.251 8.840 687 HG12 VAL 80 2HG1 VAL 80 -3.888 2.764 7.162 688 HG13 VAL 80 3HG1 VAL 80 -4.917 1.478 7.804 689 HG21 VAL 80 1HG2 VAL 80 -1.211 1.741 8.449 690 HG22 VAL 80 2HG2 VAL 80 -0.752 0.774 7.035 691 HG23 VAL 80 3HG2 VAL 80 -1.456 2.387 6.824 692 H ASP 81 H ASP 81 -0.946 -1.472 9.377 693 HA ASP 81 HA ASP 81 -0.320 -1.826 11.535 694 HB2 ASP 81 1HB ASP 81 0.291 0.526 11.190 695 HB3 ASP 81 2HB ASP 81 -1.275 1.046 11.822 696 H LYS 82 H LYS 82 -2.947 -2.756 10.931 697 HA LYS 82 HA LYS 82 -4.755 -3.723 11.938 698 HB2 LYS 82 1HB LYS 82 -3.696 -3.013 14.682 699 HB3 LYS 82 2HB LYS 82 -4.802 -4.293 14.238 700 HG2 LYS 82 1HG LYS 82 -1.840 -4.208 13.550 701 HG3 LYS 82 2HG LYS 82 -2.598 -5.088 14.878 702 HD2 LYS 82 1HD LYS 82 -3.829 -6.530 13.331 703 HD3 LYS 82 2HD LYS 82 -3.177 -5.627 11.948 704 HE2 LYS 82 1HE LYS 82 -1.841 -7.641 12.266 705 HE3 LYS 82 2HE LYS 82 -0.884 -6.193 12.617 706 HZ1 LYS 82 1HZ LYS 82 -2.027 -8.083 14.587 707 HZ2 LYS 82 2HZ LYS 82 -1.359 -6.634 15.003 708 HZ3 LYS 82 3HZ LYS 82 -0.434 -7.765 14.275 709 H THR 83 H THR 83 -4.672 -0.768 11.280 710 HA THR 83 HA THR 83 -6.880 0.108 13.051 711 HB THR 83 HB THR 83 -6.197 2.310 12.878 712 HG1 THR 83 1HG THR 83 -4.201 1.523 11.025 713 HG21 THR 83 1HG2 THR 83 -3.480 1.043 13.220 714 HG22 THR 83 2HG2 THR 83 -4.766 0.798 14.424 715 HG23 THR 83 3HG2 THR 83 -4.181 2.434 14.054 716 H VAL 84 H VAL 84 -8.317 1.660 11.963 717 HA VAL 84 HA VAL 84 -9.016 0.742 9.250 718 HB VAL 84 HB VAL 84 -10.672 0.065 10.733 719 HG11 VAL 84 1HG1 VAL 84 -10.766 2.812 12.038 720 HG12 VAL 84 2HG1 VAL 84 -11.891 1.475 12.331 721 HG13 VAL 84 3HG1 VAL 84 -10.204 1.298 12.779 722 HG21 VAL 84 1HG2 VAL 84 -12.642 1.255 9.990 723 HG22 VAL 84 2HG2 VAL 84 -11.662 2.676 9.576 724 HG23 VAL 84 3HG2 VAL 84 -11.473 1.155 8.660 725 HA PRO 85 HA PRO 85 -7.334 4.929 8.790 726 HB2 PRO 85 2HB PRO 85 -6.906 4.925 6.060 727 HB3 PRO 85 3HB PRO 85 -5.825 4.149 7.250 728 HG2 PRO 85 2HG PRO 85 -7.950 2.852 5.555 729 HG3 PRO 85 3HG PRO 85 -6.293 2.261 5.916 730 HD2 PRO 85 2HD PRO 85 -8.554 1.378 7.204 731 HD3 PRO 85 3HD PRO 85 -6.962 1.473 8.014 732 H GLN 86 H GLN 86 -8.302 6.863 8.277 733 HA GLN 86 HA GLN 86 -11.143 6.739 7.654 734 HB2 GLN 86 1HB GLN 86 -10.501 8.305 9.343 735 HB3 GLN 86 2HB GLN 86 -9.334 9.110 8.274 736 HG2 GLN 86 1HG GLN 86 -11.068 10.026 6.891 737 HG3 GLN 86 2HG GLN 86 -12.287 8.922 7.550 738 HE21 GLN 86 1HE2 GLN 86 -11.667 12.456 9.428 739 HE22 GLN 86 2HE2 GLN 86 -10.789 12.117 7.965 740 H SER 87 H SER 87 -11.775 6.504 5.598 741 HA SER 87 HA SER 87 -10.293 6.703 3.289 742 HB2 SER 87 1HB SER 87 -13.277 7.116 3.584 743 HB3 SER 87 2HB SER 87 -12.422 6.439 2.187 744 HG SER 87 HG SER 87 -13.444 4.939 3.880 745 H SER 88 H SER 88 -11.891 9.357 5.013 746 HA SER 88 HA SER 88 -11.692 11.155 2.725 747 HB2 SER 88 1HB SER 88 -13.622 10.996 4.301 748 HB3 SER 88 2HB SER 88 -12.599 11.656 5.579 749 HG SER 88 HG SER 88 -13.202 12.903 3.081 750 H LEU 89 H LEU 89 -9.341 10.107 5.012 751 HA LEU 89 HA LEU 89 -8.068 12.655 5.509 752 HB2 LEU 89 1HB LEU 89 -8.024 10.548 6.954 753 HB3 LEU 89 2HB LEU 89 -7.033 9.791 5.705 754 HG LEU 89 HG LEU 89 -5.235 11.465 6.135 755 HD11 LEU 89 1HD1 LEU 89 -5.412 12.858 8.226 756 HD12 LEU 89 2HD1 LEU 89 -7.122 12.418 8.348 757 HD13 LEU 89 3HD1 LEU 89 -6.540 13.371 6.973 758 HD21 LEU 89 1HD2 LEU 89 -6.229 10.063 8.646 759 HD22 LEU 89 2HD2 LEU 89 -4.553 10.543 8.289 760 HD23 LEU 89 3HD2 LEU 89 -5.347 9.272 7.342 761 H THR 90 H THR 90 -5.801 13.145 4.613 762 HA THR 90 HA THR 90 -5.693 12.389 1.772 763 HB THR 90 HB THR 90 -4.183 14.192 1.463 764 HG1 THR 90 1HG THR 90 -3.420 15.410 3.016 765 HG21 THR 90 1HG2 THR 90 -6.538 14.776 1.396 766 HG22 THR 90 2HG2 THR 90 -5.616 16.112 2.099 767 HG23 THR 90 3HG2 THR 90 -6.566 15.066 3.156 768 H MET 91 H MET 91 -3.592 11.892 0.827 769 HA MET 91 HA MET 91 -2.379 9.774 2.261 770 HB2 MET 91 1HB MET 91 -1.812 11.180 -0.351 771 HB3 MET 91 2HB MET 91 -0.606 10.057 0.252 772 HG2 MET 91 1HG MET 91 -3.486 9.519 -0.510 773 HG3 MET 91 2HG MET 91 -2.028 8.843 -1.218 774 HE1 MET 91 1HE MET 91 -0.288 7.457 0.782 775 HE2 MET 91 2HE MET 91 -0.872 8.222 2.264 776 HE3 MET 91 3HE MET 91 -1.036 6.483 2.049 777 H GLY 92 H GLY 92 -1.121 13.130 1.655 778 HA2 GLY 92 1HA GLY 92 1.374 12.781 2.853 779 HA3 GLY 92 2HA GLY 92 0.422 14.282 2.869 780 H GLN 93 H GLN 93 -1.784 13.628 4.456 781 HA GLN 93 HA GLN 93 -0.754 13.862 7.075 782 HB2 GLN 93 1HB GLN 93 -3.514 13.263 5.902 783 HB3 GLN 93 2HB GLN 93 -3.206 13.340 7.633 784 HG2 GLN 93 1HG GLN 93 -2.339 15.647 7.386 785 HG3 GLN 93 2HG GLN 93 -2.784 15.620 5.674 786 HE21 GLN 93 1HE2 GLN 93 -5.601 16.420 8.469 787 HE22 GLN 93 2HE2 GLN 93 -3.958 16.043 8.955 788 H LEU 94 H LEU 94 -2.396 11.108 5.424 789 HA LEU 94 HA LEU 94 -2.255 9.363 7.657 790 HB2 LEU 94 1HB LEU 94 -3.746 8.966 5.853 791 HB3 LEU 94 2HB LEU 94 -2.466 8.737 4.681 792 HG LEU 94 HG LEU 94 -2.541 7.037 7.197 793 HD11 LEU 94 1HD1 LEU 94 -4.285 6.422 4.791 794 HD12 LEU 94 2HD1 LEU 94 -4.870 6.988 6.383 795 HD13 LEU 94 3HD1 LEU 94 -4.066 5.425 6.240 796 HD21 LEU 94 1HD2 LEU 94 -1.847 6.343 4.295 797 HD22 LEU 94 2HD2 LEU 94 -1.737 5.249 5.703 798 HD23 LEU 94 3HD2 LEU 94 -0.672 6.632 5.593 799 H TYR 95 H TYR 95 0.072 9.867 4.972 800 HA TYR 95 HA TYR 95 1.840 7.780 5.808 801 HB2 TYR 95 2HB TYR 95 1.969 8.700 3.568 802 HB3 TYR 95 3HB TYR 95 2.293 10.325 4.197 803 HD1 TYR 95 1HD TYR 95 3.765 6.918 4.998 804 HD2 TYR 95 2HD TYR 95 4.477 10.996 3.747 805 HE1 TYR 95 1HE TYR 95 6.163 6.471 4.965 806 HE2 TYR 95 2HE TYR 95 6.913 10.551 3.691 807 HH TYR 95 HH TYR 95 8.301 7.347 4.365 808 H GLU 96 H GLU 96 2.015 11.408 6.329 809 HA GLU 96 HA GLU 96 4.271 11.304 7.981 810 HB2 GLU 96 1HB GLU 96 3.310 13.270 6.770 811 HB3 GLU 96 2HB GLU 96 2.064 13.402 8.020 812 HG2 GLU 96 1HG GLU 96 3.698 13.969 9.686 813 HG3 GLU 96 2HG GLU 96 5.030 13.370 8.682 814 H LYS 97 H LYS 97 0.845 10.680 8.823 815 HA LYS 97 HA LYS 97 1.572 10.745 11.652 816 HB2 LYS 97 1HB LYS 97 -0.587 10.566 12.297 817 HB3 LYS 97 2HB LYS 97 -0.638 11.570 10.867 818 HG2 LYS 97 1HG LYS 97 -2.457 10.187 10.491 819 HG3 LYS 97 2HG LYS 97 -1.168 9.372 9.627 820 HD2 LYS 97 1HD LYS 97 -2.419 7.697 10.751 821 HD3 LYS 97 2HD LYS 97 -0.888 7.831 11.599 822 HE2 LYS 97 1HE LYS 97 -2.316 7.519 13.287 823 HE3 LYS 97 2HE LYS 97 -2.127 9.280 13.312 824 HZ1 LYS 97 1HZ LYS 97 -4.459 8.365 13.435 825 HZ2 LYS 97 2HZ LYS 97 -4.325 7.892 11.875 826 HZ3 LYS 97 3HZ LYS 97 -4.223 9.490 12.282 827 H GLU 98 H GLU 98 0.903 8.199 9.171 828 HA GLU 98 HA GLU 98 1.377 6.110 11.193 829 HB2 GLU 98 1HB GLU 98 0.746 5.831 8.224 830 HB3 GLU 98 2HB GLU 98 0.816 4.539 9.411 831 HG2 GLU 98 1HG GLU 98 -0.972 5.905 10.689 832 HG3 GLU 98 2HG GLU 98 -1.275 6.688 9.128 833 H LYS 99 H LYS 99 3.561 8.013 9.621 834 HA LYS 99 HA LYS 99 5.202 6.295 8.274 835 HB2 LYS 99 1HB LYS 99 7.001 7.766 8.518 836 HB3 LYS 99 2HB LYS 99 5.531 8.671 8.267 837 HG2 LYS 99 1HG LYS 99 6.142 9.981 9.988 838 HG3 LYS 99 2HG LYS 99 5.676 8.649 11.047 839 HD2 LYS 99 1HD LYS 99 7.925 9.272 11.660 840 HD3 LYS 99 2HD LYS 99 8.063 7.746 10.757 841 HE2 LYS 99 1HE LYS 99 8.359 9.256 8.654 842 HE3 LYS 99 2HE LYS 99 8.573 10.578 9.774 843 HZ1 LYS 99 1HZ LYS 99 10.296 8.139 9.626 844 HZ2 LYS 99 2HZ LYS 99 10.437 9.237 10.777 845 HZ3 LYS 99 3HZ LYS 99 10.746 9.645 9.197 846 H ASP 100 H ASP 100 6.233 4.585 8.657 847 HA ASP 100 HA ASP 100 6.423 3.214 11.171 848 HB2 ASP 100 1HB ASP 100 6.151 2.120 8.981 849 HB3 ASP 100 2HB ASP 100 7.681 2.813 8.410 850 H GLU 101 H GLU 101 8.781 2.206 11.782 851 HA GLU 101 HA GLU 101 10.452 4.335 12.662 852 HB2 GLU 101 1HB GLU 101 12.092 2.605 13.199 853 HB3 GLU 101 2HB GLU 101 10.499 2.163 13.787 854 HG2 GLU 101 1HG GLU 101 10.242 0.434 12.165 855 HG3 GLU 101 2HG GLU 101 11.545 1.046 11.158 856 H ASP 102 H ASP 102 10.335 2.395 9.721 857 HA ASP 102 HA ASP 102 12.788 3.603 8.625 858 HB2 ASP 102 1HB ASP 102 12.072 1.037 8.747 859 HB3 ASP 102 2HB ASP 102 11.181 1.436 7.280 860 H GLY 103 H GLY 103 9.756 4.659 8.791 861 HA2 GLY 103 1HA GLY 103 8.441 6.052 7.552 862 HA3 GLY 103 2HA GLY 103 9.903 6.433 6.642 863 H PHE 104 H PHE 104 8.416 3.166 6.540 864 HA PHE 104 HA PHE 104 7.597 3.695 3.716 865 HB2 PHE 104 2HB PHE 104 8.481 1.724 3.053 866 HB3 PHE 104 3HB PHE 104 9.614 2.117 4.326 867 HD1 PHE 104 1HD PHE 104 7.548 -0.425 2.989 868 HD2 PHE 104 2HD PHE 104 8.901 1.156 6.781 869 HE1 PHE 104 1HE PHE 104 6.867 -2.514 4.118 870 HE2 PHE 104 2HE PHE 104 8.176 -0.913 7.897 871 HZ PHE 104 HZ PHE 104 7.144 -2.742 6.605 872 H LEU 105 H LEU 105 5.371 3.167 3.215 873 HA LEU 105 HA LEU 105 3.784 2.401 5.622 874 HB2 LEU 105 1HB LEU 105 3.296 4.484 4.276 875 HB3 LEU 105 2HB LEU 105 2.814 3.412 2.956 876 HG LEU 105 HG LEU 105 1.161 2.374 4.678 877 HD11 LEU 105 1HD1 LEU 105 0.411 3.928 6.462 878 HD12 LEU 105 2HD1 LEU 105 1.783 4.997 6.101 879 HD13 LEU 105 3HD1 LEU 105 2.056 3.361 6.735 880 HD21 LEU 105 1HD2 LEU 105 0.722 5.225 3.733 881 HD22 LEU 105 2HD2 LEU 105 -0.531 4.031 4.180 882 HD23 LEU 105 3HD2 LEU 105 0.470 3.754 2.762 883 H TYR 106 H TYR 106 2.756 0.459 5.763 884 HA TYR 106 HA TYR 106 2.755 -1.368 3.420 885 HB2 TYR 106 2HB TYR 106 3.201 -3.172 5.035 886 HB3 TYR 106 3HB TYR 106 4.526 -2.043 4.867 887 HD1 TYR 106 1HD TYR 106 4.946 -0.282 6.769 888 HD2 TYR 106 2HD TYR 106 2.226 -3.594 7.101 889 HE1 TYR 106 1HE TYR 106 4.907 0.022 9.211 890 HE2 TYR 106 2HE TYR 106 2.261 -3.368 9.589 891 HH TYR 106 HH TYR 106 3.715 -0.657 11.292 892 H VAL 107 H VAL 107 0.668 -2.001 2.889 893 HA VAL 107 HA VAL 107 -1.439 -1.829 4.978 894 HB VAL 107 HB VAL 107 -1.764 -0.904 2.106 895 HG11 VAL 107 1HG1 VAL 107 -3.876 -1.682 3.139 896 HG12 VAL 107 2HG1 VAL 107 -3.582 -0.653 4.546 897 HG13 VAL 107 3HG1 VAL 107 -3.901 0.084 2.967 898 HG21 VAL 107 1HG2 VAL 107 -0.322 0.738 3.180 899 HG22 VAL 107 2HG2 VAL 107 -1.943 1.414 3.034 900 HG23 VAL 107 3HG2 VAL 107 -1.381 0.797 4.600 901 H ALA 108 H ALA 108 -2.854 -3.550 5.003 902 HA ALA 108 HA ALA 108 -2.380 -5.655 2.971 903 HB1 ALA 108 1HB ALA 108 -3.137 -7.221 4.751 904 HB2 ALA 108 2HB ALA 108 -1.626 -6.365 5.136 905 HB3 ALA 108 3HB ALA 108 -3.160 -5.851 5.892 906 H TYR 109 H TYR 109 -4.167 -6.772 2.105 907 HA TYR 109 HA TYR 109 -6.851 -5.625 2.726 908 HB2 TYR 109 2HB TYR 109 -7.415 -5.390 0.457 909 HB3 TYR 109 3HB TYR 109 -5.822 -4.675 0.620 910 HD1 TYR 109 1HD TYR 109 -7.782 -7.202 -1.132 911 HD2 TYR 109 2HD TYR 109 -3.791 -5.851 -0.187 912 HE1 TYR 109 1HE TYR 109 -6.887 -8.509 -3.039 913 HE2 TYR 109 2HE TYR 109 -2.901 -7.170 -2.075 914 HH TYR 109 HH TYR 109 -4.903 -9.304 -4.133 915 H SER 110 H SER 110 -8.695 -6.899 2.249 916 HA SER 110 HA SER 110 -8.239 -9.730 1.529 917 HB2 SER 110 1HB SER 110 -9.487 -10.553 3.450 918 HB3 SER 110 2HB SER 110 -8.020 -9.714 3.972 919 HG SER 110 HG SER 110 -9.903 -9.205 5.192 920 H GLY 111 H GLY 111 -10.216 -10.878 1.108 921 HA2 GLY 111 1HA GLY 111 -12.463 -9.158 0.208 922 HA3 GLY 111 2HA GLY 111 -11.896 -10.569 -0.687 923 H GLU 112 H GLU 112 -12.035 -10.605 2.891 924 HA GLU 112 HA GLU 112 -14.426 -12.338 2.844 925 HB2 GLU 112 1HB GLU 112 -11.915 -12.538 4.557 926 HB3 GLU 112 2HB GLU 112 -13.415 -13.439 4.807 927 HG2 GLU 112 1HG GLU 112 -13.133 -14.569 2.630 928 HG3 GLU 112 2HG GLU 112 -11.606 -13.722 2.389 929 H ASN 113 H ASN 113 -15.946 -11.592 4.107 930 HA ASN 113 HA ASN 113 -15.720 -9.069 5.574 931 HB2 ASN 113 1HB ASN 113 -18.061 -9.410 6.184 932 HB3 ASN 113 2HB ASN 113 -17.822 -9.602 4.456 933 HD21 ASN 113 1HD2 ASN 113 -19.283 -12.732 6.602 934 HD22 ASN 113 2HD2 ASN 113 -19.188 -11.139 7.292 935 H THR 114 H THR 114 -15.565 -12.526 6.398 936 HA THR 114 HA THR 114 -14.974 -11.863 9.214 937 HB THR 114 HB THR 114 -15.969 -14.349 9.405 938 HG1 THR 114 1HG THR 114 -16.624 -14.691 7.323 939 HG21 THR 114 1HG2 THR 114 -17.622 -11.785 9.248 940 HG22 THR 114 2HG2 THR 114 -16.779 -12.454 10.670 941 HG23 THR 114 3HG2 THR 114 -18.171 -13.309 9.980 942 H PHE 115 H PHE 115 -12.966 -12.410 9.691 943 HA PHE 115 HA PHE 115 -11.525 -14.394 7.981 944 HB2 PHE 115 2HB PHE 115 -9.483 -12.972 8.456 945 HB3 PHE 115 3HB PHE 115 -10.685 -12.275 7.394 946 HD1 PHE 115 1HD PHE 115 -9.561 -12.256 10.995 947 HD2 PHE 115 2HD PHE 115 -11.632 -10.144 7.842 948 HE1 PHE 115 1HE PHE 115 -9.879 -10.324 12.491 949 HE2 PHE 115 2HE PHE 115 -11.904 -8.186 9.338 950 HZ PHE 115 HZ PHE 115 -11.058 -8.267 11.672 951 H GLY 116 H GLY 116 -13.023 -14.413 10.760 952 HA2 GLY 116 1HA GLY 116 -10.838 -15.271 12.565 953 HA3 GLY 116 2HA GLY 116 -12.549 -15.001 12.990 954 H1 GLY 330 H GLY 330 28.761 -7.081 1.565 955 HA2 GLY 330 1HA GLY 330 29.289 -5.257 -0.709 956 HA3 GLY 330 2HA GLY 330 29.324 -7.033 -0.874 957 H ALA 331 H ALA 331 27.519 -4.997 -2.103 958 HA ALA 331 HA ALA 331 24.946 -4.977 -0.986 959 HB1 ALA 331 1HB ALA 331 24.203 -4.480 -3.310 960 HB2 ALA 331 2HB ALA 331 25.629 -3.538 -2.854 961 HB3 ALA 331 3HB ALA 331 25.800 -4.960 -3.924 962 H MET 332 H MET 332 23.022 -6.055 -1.881 963 HA MET 332 HA MET 332 23.480 -8.979 -2.235 964 HB2 MET 332 1HB MET 332 21.083 -7.569 -1.066 965 HB3 MET 332 2HB MET 332 21.370 -9.308 -1.137 966 HG2 MET 332 1HG MET 332 23.417 -8.987 0.268 967 HG3 MET 332 2HG MET 332 23.041 -7.273 0.404 968 HE1 MET 332 1HE MET 332 20.656 -6.435 1.351 969 HE2 MET 332 2HE MET 332 19.658 -7.763 0.722 970 HE3 MET 332 3HE MET 332 19.667 -7.407 2.464 971 H GLU 333 H GLU 333 23.923 -8.405 -4.488 972 HA GLU 333 HA GLU 333 21.458 -8.133 -6.109 973 HB2 GLU 333 1HB GLU 333 22.698 -7.093 -7.870 974 HB3 GLU 333 2HB GLU 333 22.680 -6.095 -6.421 975 HG2 GLU 333 1HG GLU 333 24.958 -6.245 -6.095 976 HG3 GLU 333 2HG GLU 333 25.098 -7.843 -6.801 977 H ILE 334 H ILE 334 21.854 -10.553 -5.257 978 HA ILE 334 HA ILE 334 23.750 -12.125 -6.782 979 HB ILE 334 HB ILE 334 22.569 -14.056 -5.776 980 HG12 ILE 334 1HG1 ILE 334 20.757 -12.009 -4.401 981 HG13 ILE 334 2HG1 ILE 334 20.258 -13.036 -5.744 982 HG21 ILE 334 1HG2 ILE 334 24.418 -12.843 -4.632 983 HG22 ILE 334 2HG2 ILE 334 23.223 -11.854 -3.776 984 HG23 ILE 334 3HG2 ILE 334 23.302 -13.601 -3.498 985 HD11 ILE 334 1HD1 ILE 334 21.107 -13.990 -2.984 986 HD12 ILE 334 2HD1 ILE 334 19.489 -14.014 -3.687 987 HD13 ILE 334 3HD1 ILE 334 20.752 -15.059 -4.361 988 H ILE 335 H ILE 335 23.040 -13.997 -8.183 989 HA ILE 335 HA ILE 335 21.228 -12.988 -10.246 990 HB ILE 335 HB ILE 335 21.980 -14.852 -11.570 991 HG12 ILE 335 1HG1 ILE 335 23.975 -16.248 -10.632 992 HG13 ILE 335 2HG1 ILE 335 23.293 -15.920 -9.048 993 HG21 ILE 335 1HG2 ILE 335 23.354 -12.815 -11.422 994 HG22 ILE 335 2HG2 ILE 335 24.353 -13.577 -10.174 995 HG23 ILE 335 3HG2 ILE 335 24.307 -14.248 -11.813 996 HD11 ILE 335 1HD1 ILE 335 21.743 -17.192 -11.360 997 HD12 ILE 335 2HD1 ILE 335 22.628 -18.113 -10.135 998 HD13 ILE 335 3HD1 ILE 335 21.252 -17.128 -9.650 999 H HIS 336 H HIS 336 20.652 -14.627 -7.411 1000 HA HIS 336 HA HIS 336 18.310 -16.095 -8.495 1001 HB2 HIS 336 1HB HIS 336 20.093 -17.557 -7.562 1002 HB3 HIS 336 2HB HIS 336 19.967 -16.707 -6.024 1003 HD1 HIS 336 HD1 HIS 336 16.768 -17.785 -7.957 1004 HD2 HIS 336 HD2 HIS 336 19.203 -18.841 -4.663 1005 HE1 HIS 336 HE1 HIS 336 15.475 -19.495 -6.597 1006 H GLU 337 H GLU 337 17.880 -13.476 -8.285 1007 HA GLU 337 HA GLU 337 16.970 -12.802 -5.554 1008 HB2 GLU 337 1HB GLU 337 18.062 -11.093 -7.063 1009 HB3 GLU 337 2HB GLU 337 16.688 -11.242 -8.151 1010 HG2 GLU 337 1HG GLU 337 15.232 -10.725 -6.053 1011 HG3 GLU 337 2HG GLU 337 16.743 -10.236 -5.275 1012 H ASP 338 H ASP 338 15.138 -13.890 -4.985 1013 HA ASP 338 HA ASP 338 13.147 -14.760 -6.960 1014 HB2 ASP 338 1HB ASP 338 13.834 -16.103 -4.953 1015 HB3 ASP 338 2HB ASP 338 13.029 -14.905 -3.937 1016 H ASN 339 H ASN 339 13.589 -12.203 -4.679 1017 HA ASN 339 HA ASN 339 10.867 -11.288 -4.578 1018 HB2 ASN 339 1HB ASN 339 11.885 -9.371 -3.305 1019 HB3 ASN 339 2HB ASN 339 12.318 -10.944 -2.660 1020 HD21 ASN 339 1HD2 ASN 339 15.249 -8.602 -4.370 1021 HD22 ASN 339 2HD2 ASN 339 13.636 -8.442 -4.925 1022 H GLU 340 H GLU 340 9.858 -9.921 -6.059 1023 HA GLU 340 HA GLU 340 11.609 -8.836 -8.199 1024 HB2 GLU 340 1HB GLU 340 9.531 -10.260 -8.664 1025 HB3 GLU 340 2HB GLU 340 8.613 -8.774 -8.340 1026 HG2 GLU 340 1HG GLU 340 10.147 -7.608 -10.014 1027 HG3 GLU 340 2HG GLU 340 10.892 -9.167 -10.349 1028 H TRP 341 H TRP 341 8.681 -7.413 -6.428 1029 HA TRP 341 HA TRP 341 8.278 -5.305 -5.818 1030 HB2 TRP 341 2HB TRP 341 11.191 -5.237 -5.072 1031 HB3 TRP 341 3HB TRP 341 9.927 -4.137 -4.538 1032 HD1 TRP 341 HD1 TRP 341 11.746 -6.903 -3.225 1033 HE1 TRP 341 1HE TRP 341 10.583 -7.795 -1.094 1034 HE3 TRP 341 3HE TRP 341 7.123 -4.793 -3.778 1035 HZ2 TRP 341 2HZ TRP 341 7.804 -8.233 -0.246 1036 HZ3 TRP 341 3HZ TRP 341 5.242 -5.490 -2.339 1037 HH2 TRP 341 HH2 TRP 341 5.576 -7.210 -0.572 1038 H GLY 342 H GLY 342 7.834 -5.042 -8.267 1039 HA2 GLY 342 1HA GLY 342 9.732 -3.247 -9.635 1040 HA3 GLY 342 2HA GLY 342 8.182 -3.841 -10.243 1041 H ILE 343 H ILE 343 9.290 -1.009 -10.017 1042 HA ILE 343 HA ILE 343 7.612 0.310 -8.008 1043 HB ILE 343 HB ILE 343 9.284 1.517 -10.259 1044 HG12 ILE 343 1HG1 ILE 343 9.988 1.059 -7.319 1045 HG13 ILE 343 2HG1 ILE 343 10.670 0.198 -8.695 1046 HG21 ILE 343 1HG2 ILE 343 9.145 3.622 -8.949 1047 HG22 ILE 343 2HG2 ILE 343 7.546 3.082 -9.397 1048 HG23 ILE 343 3HG2 ILE 343 8.120 2.803 -7.740 1049 HD11 ILE 343 1HD1 ILE 343 11.125 3.116 -8.003 1050 HD12 ILE 343 2HD1 ILE 343 12.283 1.787 -8.024 1051 HD13 ILE 343 3HD1 ILE 343 11.608 2.377 -9.551 1052 H GLU 344 H GLU 344 5.590 1.215 -8.294 1053 HA GLU 344 HA GLU 344 4.599 1.582 -11.057 1054 HB2 GLU 344 1HB GLU 344 3.934 -0.637 -10.166 1055 HB3 GLU 344 2HB GLU 344 3.058 0.156 -8.847 1056 HG2 GLU 344 1HG GLU 344 1.450 1.061 -10.283 1057 HG3 GLU 344 2HG GLU 344 2.525 1.069 -11.680 1058 H LEU 345 H LEU 345 3.645 3.498 -11.352 1059 HA LEU 345 HA LEU 345 3.248 5.301 -9.032 1060 HB2 LEU 345 1HB LEU 345 2.906 5.968 -11.974 1061 HB3 LEU 345 2HB LEU 345 3.091 7.068 -10.617 1062 HG LEU 345 HG LEU 345 5.243 5.303 -11.826 1063 HD11 LEU 345 1HD1 LEU 345 6.223 7.408 -12.541 1064 HD12 LEU 345 2HD1 LEU 345 4.953 8.338 -11.711 1065 HD13 LEU 345 3HD1 LEU 345 4.558 7.328 -13.116 1066 HD21 LEU 345 1HD2 LEU 345 5.457 7.242 -9.479 1067 HD22 LEU 345 2HD2 LEU 345 6.801 6.386 -10.275 1068 HD23 LEU 345 3HD2 LEU 345 5.587 5.470 -9.389 1069 H VAL 346 H VAL 346 1.253 5.376 -8.179 1070 HA VAL 346 HA VAL 346 -1.065 4.718 -9.972 1071 HB VAL 346 HB VAL 346 -0.935 3.959 -7.076 1072 HG11 VAL 346 1HG1 VAL 346 -2.805 2.508 -7.594 1073 HG12 VAL 346 2HG1 VAL 346 -3.187 4.199 -7.910 1074 HG13 VAL 346 3HG1 VAL 346 -2.817 3.101 -9.274 1075 HG21 VAL 346 1HG2 VAL 346 0.762 2.583 -8.225 1076 HG22 VAL 346 2HG2 VAL 346 -0.651 1.593 -7.920 1077 HG23 VAL 346 3HG2 VAL 346 -0.384 2.242 -9.545 1078 H SER 347 H SER 347 -2.288 6.479 -10.343 1079 HA SER 347 HA SER 347 -3.353 7.967 -8.140 1080 HB2 SER 347 1HB SER 347 -2.729 10.189 -8.990 1081 HB3 SER 347 2HB SER 347 -1.355 9.303 -8.352 1082 HG SER 347 HG SER 347 -2.024 10.036 -10.947 1083 H GLU 348 H GLU 348 -5.173 9.222 -8.820 1084 HA GLU 348 HA GLU 348 -6.157 9.486 -11.421 1085 HB2 GLU 348 1HB GLU 348 -6.405 6.820 -10.581 1086 HB3 GLU 348 2HB GLU 348 -7.909 7.521 -10.039 1087 HG2 GLU 348 1HG GLU 348 -8.309 8.370 -12.367 1088 HG3 GLU 348 2HG GLU 348 -6.812 7.559 -12.880 Start of MODEL 13 1 H1 MET 1 H MET 1 2.558 -9.809 9.230 2 HA MET 1 HA MET 1 3.640 -11.520 10.450 3 HB2 MET 1 1HB MET 1 2.744 -13.719 10.736 4 HB3 MET 1 2HB MET 1 1.633 -12.516 11.364 5 HG2 MET 1 1HG MET 1 0.200 -12.766 9.377 6 HG3 MET 1 2HG MET 1 1.308 -13.976 8.714 7 HE1 MET 1 1HE MET 1 -2.034 -13.783 10.104 8 HE2 MET 1 2HE MET 1 -1.527 -14.801 8.747 9 HE3 MET 1 3HE MET 1 -2.217 -15.540 10.216 10 H GLY 2 H GLY 2 5.269 -12.785 9.468 11 HA2 GLY 2 1HA GLY 2 6.575 -13.531 7.792 12 HA3 GLY 2 2HA GLY 2 5.102 -14.138 7.066 13 H TRP 3 H TRP 3 6.812 -10.990 7.506 14 HA TRP 3 HA TRP 3 5.690 -9.953 5.047 15 HB2 TRP 3 2HB TRP 3 7.788 -8.981 7.023 16 HB3 TRP 3 3HB TRP 3 7.341 -8.088 5.582 17 HD1 TRP 3 HD1 TRP 3 6.847 -7.475 8.882 18 HE1 TRP 3 1HE TRP 3 4.576 -6.430 9.467 19 HE3 TRP 3 3HE TRP 3 4.211 -8.682 4.604 20 HZ2 TRP 3 2HZ TRP 3 2.050 -6.034 8.195 21 HZ3 TRP 3 3HZ TRP 3 2.007 -7.868 4.274 22 HH2 TRP 3 HH2 TRP 3 0.859 -6.459 6.024 23 H MET 4 H MET 4 6.351 -10.630 3.094 24 HA MET 4 HA MET 4 8.795 -12.071 2.678 25 HB2 MET 4 1HB MET 4 6.907 -10.663 0.734 26 HB3 MET 4 2HB MET 4 8.408 -11.433 0.214 27 HG2 MET 4 1HG MET 4 6.855 -13.088 -0.135 28 HG3 MET 4 2HG MET 4 7.635 -13.551 1.368 29 HE1 MET 4 1HE MET 4 5.721 -15.330 1.735 30 HE2 MET 4 2HE MET 4 3.991 -14.949 1.604 31 HE3 MET 4 3HE MET 4 5.044 -14.811 0.181 32 H PHE 5 H PHE 5 7.978 -8.601 2.175 33 HA PHE 5 HA PHE 5 10.402 -7.866 0.961 34 HB2 PHE 5 2HB PHE 5 9.982 -5.571 1.940 35 HB3 PHE 5 3HB PHE 5 8.726 -6.219 0.917 36 HD1 PHE 5 1HD PHE 5 9.559 -5.144 4.364 37 HD2 PHE 5 2HD PHE 5 6.557 -6.969 1.834 38 HE1 PHE 5 1HE PHE 5 7.863 -4.862 6.143 39 HE2 PHE 5 2HE PHE 5 4.880 -6.631 3.579 40 HZ PHE 5 HZ PHE 5 5.516 -5.519 5.747 41 H LYS 6 H LYS 6 9.526 -7.767 4.410 42 HA LYS 6 HA LYS 6 12.040 -7.018 5.408 43 HB2 LYS 6 1HB LYS 6 9.605 -7.101 6.449 44 HB3 LYS 6 2HB LYS 6 10.082 -8.728 6.958 45 HG2 LYS 6 1HG LYS 6 12.032 -7.755 8.162 46 HG3 LYS 6 2HG LYS 6 11.581 -6.147 7.576 47 HD2 LYS 6 1HD LYS 6 9.321 -6.463 8.704 48 HD3 LYS 6 2HD LYS 6 9.976 -7.953 9.440 49 HE2 LYS 6 1HE LYS 6 11.854 -6.593 10.379 50 HE3 LYS 6 2HE LYS 6 11.122 -5.133 9.693 51 HZ1 LYS 6 1HZ LYS 6 9.837 -6.870 11.709 52 HZ2 LYS 6 2HZ LYS 6 9.232 -5.453 11.098 53 HZ3 LYS 6 3HZ LYS 6 10.598 -5.435 12.004 54 H GLU 7 H GLU 7 10.745 -10.254 4.645 55 HA GLU 7 HA GLU 7 12.652 -11.768 6.107 56 HB2 GLU 7 1HB GLU 7 10.505 -12.617 4.954 57 HB3 GLU 7 2HB GLU 7 11.344 -12.461 3.424 58 HG2 GLU 7 1HG GLU 7 11.584 -14.708 3.975 59 HG3 GLU 7 2HG GLU 7 13.144 -14.021 4.392 60 H ASP 8 H ASP 8 12.592 -10.601 2.701 61 HA ASP 8 HA ASP 8 15.257 -11.586 2.240 62 HB2 ASP 8 1HB ASP 8 13.373 -10.995 0.433 63 HB3 ASP 8 2HB ASP 8 14.106 -9.418 0.512 64 H HIS 9 H HIS 9 14.152 -8.117 2.306 65 HA HIS 9 HA HIS 9 16.252 -7.323 4.073 66 HB2 HIS 9 1HB HIS 9 17.256 -5.725 2.401 67 HB3 HIS 9 2HB HIS 9 17.781 -7.389 2.303 68 HD1 HIS 9 HD1 HIS 9 14.541 -6.243 0.619 69 HD2 HIS 9 HD2 HIS 9 18.526 -7.220 -0.249 70 HE1 HIS 9 HE1 HIS 9 14.634 -6.714 -1.906 71 H SER 10 H SER 10 15.828 -5.245 4.955 72 HA SER 10 HA SER 10 13.651 -3.696 3.663 73 HB2 SER 10 1HB SER 10 12.721 -5.005 5.551 74 HB3 SER 10 2HB SER 10 13.828 -4.174 6.655 75 HG SER 10 HG SER 10 12.815 -2.217 6.173 76 H LEU 11 H LEU 11 15.851 -3.276 6.507 77 HA LEU 11 HA LEU 11 15.971 -0.604 6.586 78 HB2 LEU 11 1HB LEU 11 18.312 -2.513 6.892 79 HB3 LEU 11 2HB LEU 11 18.278 -0.876 7.532 80 HG LEU 11 HG LEU 11 16.288 -3.007 8.382 81 HD11 LEU 11 1HD1 LEU 11 18.872 -2.130 9.736 82 HD12 LEU 11 2HD1 LEU 11 18.575 -3.700 8.938 83 HD13 LEU 11 3HD1 LEU 11 17.667 -3.279 10.379 84 HD21 LEU 11 1HD2 LEU 11 15.898 -1.487 10.292 85 HD22 LEU 11 2HD2 LEU 11 15.548 -0.670 8.778 86 HD23 LEU 11 3HD2 LEU 11 17.062 -0.317 9.622 87 H GLU 12 H GLU 12 18.461 -2.303 4.568 88 HA GLU 12 HA GLU 12 19.408 0.253 3.592 89 HB2 GLU 12 1HB GLU 12 20.832 -1.791 3.753 90 HB3 GLU 12 2HB GLU 12 19.965 -2.459 2.388 91 HG2 GLU 12 1HG GLU 12 21.950 -1.493 1.510 92 HG3 GLU 12 2HG GLU 12 20.633 -0.419 1.032 93 H HIS 13 H HIS 13 17.383 -2.308 2.187 94 HA HIS 13 HA HIS 13 16.887 -1.273 -0.332 95 HB2 HIS 13 1HB HIS 13 16.164 -3.488 0.777 96 HB3 HIS 13 2HB HIS 13 14.773 -2.621 1.403 97 HD1 HIS 13 HD1 HIS 13 16.154 -4.168 -1.709 98 HD2 HIS 13 HD2 HIS 13 12.960 -1.722 -0.524 99 HE1 HIS 13 HE1 HIS 13 14.375 -4.380 -3.541 100 H ARG 14 H ARG 14 15.166 -0.531 2.693 101 HA ARG 14 HA ARG 14 13.234 1.269 1.583 102 HB2 ARG 14 1HB ARG 14 14.239 0.587 4.352 103 HB3 ARG 14 2HB ARG 14 13.303 2.051 4.139 104 HG2 ARG 14 1HG ARG 14 12.000 -0.001 4.842 105 HG3 ARG 14 2HG ARG 14 11.351 0.970 3.530 106 HD2 ARG 14 1HD ARG 14 12.989 -1.451 2.858 107 HD3 ARG 14 2HD ARG 14 11.454 -1.704 3.704 108 HE ARG 14 HE ARG 14 11.057 0.095 1.516 109 HH11 ARG 14 1HH1 ARG 14 11.589 -3.275 2.328 110 HH12 ARG 14 2HH1 ARG 14 11.024 -3.900 0.807 111 HH21 ARG 14 1HH2 ARG 14 10.116 -0.616 -0.329 112 HH22 ARG 14 2HH2 ARG 14 9.934 -2.348 -0.669 113 H CYS 15 H CYS 15 16.493 1.772 3.130 114 HA CYS 15 HA CYS 15 16.369 4.612 2.942 115 HB2 CYS 15 2HB CYS 15 17.985 3.342 4.330 116 HB3 CYS 15 3HB CYS 15 18.803 2.771 2.859 117 HG CYS 15 HG CYS 15 20.302 4.548 3.792 118 H VAL 16 H VAL 16 17.488 2.119 0.579 119 HA VAL 16 HA VAL 16 18.493 4.036 -1.332 120 HB VAL 16 HB VAL 16 17.636 1.118 -1.528 121 HG11 VAL 16 1HG1 VAL 16 17.321 2.059 -3.776 122 HG12 VAL 16 2HG1 VAL 16 18.940 2.820 -3.696 123 HG13 VAL 16 3HG1 VAL 16 18.769 1.048 -3.734 124 HG21 VAL 16 1HG2 VAL 16 19.706 1.603 -0.229 125 HG22 VAL 16 2HG2 VAL 16 20.059 0.774 -1.747 126 HG23 VAL 16 3HG2 VAL 16 20.358 2.514 -1.608 127 H GLU 17 H GLU 17 15.360 2.248 -1.048 128 HA GLU 17 HA GLU 17 14.228 3.578 -3.263 129 HB2 GLU 17 1HB GLU 17 13.267 1.660 -1.287 130 HB3 GLU 17 2HB GLU 17 12.077 2.919 -1.535 131 HG2 GLU 17 1HG GLU 17 11.673 1.157 -3.121 132 HG3 GLU 17 2HG GLU 17 12.192 2.597 -3.986 133 H SER 18 H SER 18 14.428 4.635 0.163 134 HA SER 18 HA SER 18 12.508 6.752 -0.099 135 HB2 SER 18 1HB SER 18 13.283 7.544 1.946 136 HB3 SER 18 2HB SER 18 13.403 5.793 2.061 137 HG SER 18 HG SER 18 15.270 6.793 2.872 138 H ALA 19 H ALA 19 16.071 6.600 -0.520 139 HA ALA 19 HA ALA 19 16.384 9.273 -1.322 140 HB1 ALA 19 1HB ALA 19 18.035 6.845 -2.136 141 HB2 ALA 19 2HB ALA 19 18.541 8.540 -2.258 142 HB3 ALA 19 3HB ALA 19 18.241 7.811 -0.668 143 H LYS 20 H LYS 20 15.997 6.363 -3.381 144 HA LYS 20 HA LYS 20 16.050 7.664 -5.874 145 HB2 LYS 20 1HB LYS 20 14.522 5.140 -5.149 146 HB3 LYS 20 2HB LYS 20 14.970 5.617 -6.773 147 HG2 LYS 20 1HG LYS 20 17.233 5.311 -4.819 148 HG3 LYS 20 2HG LYS 20 16.316 3.855 -5.214 149 HD2 LYS 20 1HD LYS 20 16.827 4.285 -7.645 150 HD3 LYS 20 2HD LYS 20 17.877 5.630 -7.117 151 HE2 LYS 20 1HE LYS 20 19.092 4.005 -5.611 152 HE3 LYS 20 2HE LYS 20 18.085 2.700 -6.256 153 HZ1 LYS 20 1HZ LYS 20 20.035 4.325 -7.769 154 HZ2 LYS 20 2HZ LYS 20 19.022 3.193 -8.451 155 HZ3 LYS 20 3HZ LYS 20 20.164 2.739 -7.372 156 H ILE 21 H ILE 21 13.141 6.623 -4.010 157 HA ILE 21 HA ILE 21 11.341 7.810 -5.887 158 HB ILE 21 HB ILE 21 10.926 6.833 -3.045 159 HG12 ILE 21 1HG1 ILE 21 10.122 5.495 -5.677 160 HG13 ILE 21 2HG1 ILE 21 11.693 5.190 -4.958 161 HG21 ILE 21 1HG2 ILE 21 8.741 7.298 -5.114 162 HG22 ILE 21 2HG2 ILE 21 8.560 6.821 -3.408 163 HG23 ILE 21 3HG2 ILE 21 9.099 8.430 -3.813 164 HD11 ILE 21 1HD1 ILE 21 10.794 4.145 -3.054 165 HD12 ILE 21 2HD1 ILE 21 9.153 4.681 -3.387 166 HD13 ILE 21 3HD1 ILE 21 9.929 3.471 -4.440 167 H ARG 22 H ARG 22 12.635 9.087 -2.707 168 HA ARG 22 HA ARG 22 10.938 11.413 -2.811 169 HB2 ARG 22 1HB ARG 22 13.555 10.920 -1.389 170 HB3 ARG 22 2HB ARG 22 12.779 12.477 -1.378 171 HG2 ARG 22 1HG ARG 22 11.198 10.040 -0.548 172 HG3 ARG 22 2HG ARG 22 12.318 10.799 0.565 173 HD2 ARG 22 1HD ARG 22 10.036 12.299 -0.786 174 HD3 ARG 22 2HD ARG 22 9.978 11.613 0.845 175 HE ARG 22 HE ARG 22 12.282 13.275 0.497 176 HH11 ARG 22 1HH1 ARG 22 8.747 13.620 0.998 177 HH12 ARG 22 2HH1 ARG 22 8.905 15.169 1.736 178 HH21 ARG 22 1HH2 ARG 22 12.446 15.197 1.761 179 HH22 ARG 22 2HH2 ARG 22 11.016 16.129 2.079 180 H ALA 23 H ALA 23 14.011 10.606 -4.426 181 HA ALA 23 HA ALA 23 14.481 13.334 -5.252 182 HB1 ALA 23 1HB ALA 23 16.098 12.331 -6.808 183 HB2 ALA 23 2HB ALA 23 16.308 11.696 -5.176 184 HB3 ALA 23 3HB ALA 23 15.508 10.710 -6.416 185 H LYS 24 H LYS 24 12.929 10.478 -6.844 186 HA LYS 24 HA LYS 24 12.386 12.014 -9.300 187 HB2 LYS 24 1HB LYS 24 11.749 9.218 -8.262 188 HB3 LYS 24 2HB LYS 24 10.785 9.905 -9.562 189 HG2 LYS 24 1HG LYS 24 12.383 8.652 -10.640 190 HG3 LYS 24 2HG LYS 24 12.792 10.362 -10.881 191 HD2 LYS 24 1HD LYS 24 14.551 10.199 -9.181 192 HD3 LYS 24 2HD LYS 24 14.150 8.479 -8.906 193 HE2 LYS 24 1HE LYS 24 14.826 7.834 -11.077 194 HE3 LYS 24 2HE LYS 24 14.708 9.485 -11.705 195 HZ1 LYS 24 1HZ LYS 24 16.616 10.094 -10.436 196 HZ2 LYS 24 2HZ LYS 24 16.999 8.780 -11.371 197 HZ3 LYS 24 3HZ LYS 24 16.741 8.623 -9.747 198 H TYR 25 H TYR 25 10.352 10.710 -6.667 199 HA TYR 25 HA TYR 25 8.143 12.512 -7.458 200 HB2 TYR 25 2HB TYR 25 7.747 9.798 -6.254 201 HB3 TYR 25 3HB TYR 25 6.619 10.803 -7.163 202 HD1 TYR 25 1HD TYR 25 8.861 8.042 -7.264 203 HD2 TYR 25 2HD TYR 25 7.414 11.267 -9.720 204 HE1 TYR 25 1HE TYR 25 9.531 6.786 -9.264 205 HE2 TYR 25 2HE TYR 25 8.163 10.060 -11.743 206 HH TYR 25 HH TYR 25 8.962 7.990 -12.585 207 HA PRO 26 HA PRO 26 9.645 13.400 -3.143 208 HB2 PRO 26 2HB PRO 26 9.106 16.096 -3.218 209 HB3 PRO 26 3HB PRO 26 10.613 15.390 -3.870 210 HG2 PRO 26 2HG PRO 26 8.150 16.187 -5.386 211 HG3 PRO 26 3HG PRO 26 9.863 16.505 -5.793 212 HD2 PRO 26 2HD PRO 26 8.428 14.453 -6.868 213 HD3 PRO 26 3HD PRO 26 10.194 14.295 -6.536 214 H ASP 27 H ASP 27 6.760 14.464 -4.949 215 HA ASP 27 HA ASP 27 5.143 14.591 -2.532 216 HB2 ASP 27 1HB ASP 27 5.075 16.338 -4.274 217 HB3 ASP 27 2HB ASP 27 4.437 15.177 -5.420 218 H ARG 28 H ARG 28 6.139 11.887 -3.515 219 HA ARG 28 HA ARG 28 3.464 10.624 -3.415 220 HB2 ARG 28 1HB ARG 28 5.748 9.700 -5.221 221 HB3 ARG 28 2HB ARG 28 4.377 8.687 -4.740 222 HG2 ARG 28 1HG ARG 28 2.838 10.445 -5.603 223 HG3 ARG 28 2HG ARG 28 4.209 11.268 -6.312 224 HD2 ARG 28 1HD ARG 28 4.590 9.540 -7.877 225 HD3 ARG 28 2HD ARG 28 3.689 8.353 -6.922 226 HE ARG 28 HE ARG 28 1.792 8.885 -7.971 227 HH11 ARG 28 1HH1 ARG 28 3.882 11.852 -8.363 228 HH12 ARG 28 2HH1 ARG 28 2.853 12.416 -9.637 229 HH21 ARG 28 1HH2 ARG 28 0.411 9.960 -9.569 230 HH22 ARG 28 2HH2 ARG 28 0.885 11.532 -10.096 231 H VAL 29 H VAL 29 3.429 8.581 -2.329 232 HA VAL 29 HA VAL 29 5.769 8.176 -0.569 233 HB VAL 29 HB VAL 29 4.072 7.736 1.250 234 HG11 VAL 29 1HG1 VAL 29 5.340 9.882 0.925 235 HG12 VAL 29 2HG1 VAL 29 3.967 10.521 0.003 236 HG13 VAL 29 3HG1 VAL 29 3.777 10.071 1.703 237 HG21 VAL 29 1HG2 VAL 29 2.058 9.026 -0.607 238 HG22 VAL 29 2HG2 VAL 29 2.117 7.288 -0.217 239 HG23 VAL 29 3HG2 VAL 29 1.853 8.461 1.052 240 HA PRO 30 HA PRO 30 5.542 4.006 -2.050 241 HB2 PRO 30 2HB PRO 30 7.362 2.805 -0.441 242 HB3 PRO 30 3HB PRO 30 7.832 4.088 -1.602 243 HG2 PRO 30 2HG PRO 30 7.215 4.398 1.339 244 HG3 PRO 30 3HG PRO 30 8.647 4.995 0.494 245 HD2 PRO 30 2HD PRO 30 6.460 6.550 0.994 246 HD3 PRO 30 3HD PRO 30 7.416 6.732 -0.505 247 H VAL 31 H VAL 31 3.876 2.674 -1.796 248 HA VAL 31 HA VAL 31 3.143 1.696 0.917 249 HB VAL 31 HB VAL 31 1.325 2.315 -1.464 250 HG11 VAL 31 1HG1 VAL 31 0.485 0.399 -0.135 251 HG12 VAL 31 2HG1 VAL 31 0.785 1.285 1.377 252 HG13 VAL 31 3HG1 VAL 31 -0.479 1.812 0.272 253 HG21 VAL 31 1HG2 VAL 31 1.553 3.724 1.211 254 HG22 VAL 31 2HG2 VAL 31 2.080 4.394 -0.349 255 HG23 VAL 31 3HG2 VAL 31 0.370 4.068 -0.072 256 H ILE 32 H ILE 32 2.943 -0.489 1.104 257 HA ILE 32 HA ILE 32 3.137 -2.144 -1.360 258 HB ILE 32 HB ILE 32 4.726 -2.378 1.193 259 HG12 ILE 32 1HG1 ILE 32 5.523 -2.400 -1.755 260 HG13 ILE 32 2HG1 ILE 32 5.563 -0.963 -0.732 261 HG21 ILE 32 1HG2 ILE 32 5.496 -4.605 0.327 262 HG22 ILE 32 2HG2 ILE 32 3.776 -4.625 0.667 263 HG23 ILE 32 3HG2 ILE 32 4.322 -4.470 -1.009 264 HD11 ILE 32 1HD1 ILE 32 7.203 -2.048 0.768 265 HD12 ILE 32 2HD1 ILE 32 7.239 -3.452 -0.331 266 HD13 ILE 32 3HD1 ILE 32 7.762 -1.865 -0.911 267 H VAL 33 H VAL 33 1.372 -3.253 -1.573 268 HA VAL 33 HA VAL 33 -0.434 -3.761 0.738 269 HB VAL 33 HB VAL 33 -2.054 -4.210 -1.271 270 HG11 VAL 33 1HG1 VAL 33 -2.481 -2.424 0.274 271 HG12 VAL 33 2HG1 VAL 33 -1.256 -1.382 -0.504 272 HG13 VAL 33 3HG1 VAL 33 -2.751 -1.830 -1.359 273 HG21 VAL 33 1HG2 VAL 33 -0.355 -3.969 -3.098 274 HG22 VAL 33 2HG2 VAL 33 -1.741 -2.888 -3.265 275 HG23 VAL 33 3HG2 VAL 33 -0.193 -2.246 -2.692 276 H GLU 34 H GLU 34 -0.546 -5.868 1.399 277 HA GLU 34 HA GLU 34 0.164 -7.956 -0.620 278 HB2 GLU 34 1HB GLU 34 1.180 -7.892 2.232 279 HB3 GLU 34 2HB GLU 34 1.152 -9.326 1.202 280 HG2 GLU 34 1HG GLU 34 2.432 -7.766 -0.526 281 HG3 GLU 34 2HG GLU 34 2.844 -6.839 0.908 282 H LYS 35 H LYS 35 -1.096 -9.718 -0.647 283 HA LYS 35 HA LYS 35 -3.762 -9.352 0.409 284 HB2 LYS 35 1HB LYS 35 -3.131 -10.306 -1.836 285 HB3 LYS 35 2HB LYS 35 -2.537 -11.752 -1.040 286 HG2 LYS 35 1HG LYS 35 -5.320 -10.973 -0.274 287 HG3 LYS 35 2HG LYS 35 -5.131 -11.303 -1.989 288 HD2 LYS 35 1HD LYS 35 -4.058 -13.258 0.055 289 HD3 LYS 35 2HD LYS 35 -5.776 -13.261 -0.396 290 HE2 LYS 35 1HE LYS 35 -5.159 -13.577 -2.768 291 HE3 LYS 35 2HE LYS 35 -3.443 -13.564 -2.291 292 HZ1 LYS 35 1HZ LYS 35 -3.812 -15.516 -0.989 293 HZ2 LYS 35 2HZ LYS 35 -4.219 -15.795 -2.546 294 HZ3 LYS 35 3HZ LYS 35 -5.405 -15.586 -1.412 295 H VAL 36 H VAL 36 -4.799 -10.450 2.019 296 HA VAL 36 HA VAL 36 -3.278 -11.546 4.191 297 HB VAL 36 HB VAL 36 -6.190 -11.123 3.474 298 HG11 VAL 36 1HG1 VAL 36 -5.264 -12.683 5.901 299 HG12 VAL 36 2HG1 VAL 36 -6.884 -11.963 5.701 300 HG13 VAL 36 3HG1 VAL 36 -6.345 -13.231 4.604 301 HG21 VAL 36 1HG2 VAL 36 -4.805 -9.241 4.360 302 HG22 VAL 36 2HG2 VAL 36 -6.125 -9.663 5.461 303 HG23 VAL 36 3HG2 VAL 36 -4.471 -10.191 5.825 304 H SER 37 H SER 37 -2.614 -13.620 4.487 305 HA SER 37 HA SER 37 -2.766 -15.613 2.528 306 HB2 SER 37 1HB SER 37 -2.076 -17.093 4.500 307 HB3 SER 37 2HB SER 37 -1.035 -15.697 4.168 308 HG SER 37 HG SER 37 -3.183 -15.531 6.000 309 H GLY 38 H GLY 38 -4.482 -16.906 1.893 310 HA2 GLY 38 1HA GLY 38 -6.232 -18.408 2.277 311 HA3 GLY 38 2HA GLY 38 -6.368 -17.838 3.940 312 H SER 39 H SER 39 -6.362 -15.166 1.734 313 HA SER 39 HA SER 39 -9.235 -14.858 2.286 314 HB2 SER 39 1HB SER 39 -7.383 -12.999 2.381 315 HB3 SER 39 2HB SER 39 -7.588 -12.944 0.622 316 HG SER 39 HG SER 39 -9.452 -12.637 2.690 317 H GLN 40 H GLN 40 -10.830 -14.760 0.795 318 HA GLN 40 HA GLN 40 -10.667 -16.284 -1.599 319 HB2 GLN 40 1HB GLN 40 -12.684 -14.380 -0.388 320 HB3 GLN 40 2HB GLN 40 -12.952 -15.046 -1.989 321 HG2 GLN 40 1HG GLN 40 -12.395 -16.853 0.406 322 HG3 GLN 40 2HG GLN 40 -14.013 -16.310 -0.054 323 HE21 GLN 40 1HE2 GLN 40 -14.113 -18.063 -3.183 324 HE22 GLN 40 2HE2 GLN 40 -14.822 -16.791 -2.201 325 H ILE 41 H ILE 41 -10.011 -12.889 -1.045 326 HA ILE 41 HA ILE 41 -10.526 -12.054 -3.742 327 HB ILE 41 HB ILE 41 -10.484 -10.572 -1.791 328 HG12 ILE 41 1HG1 ILE 41 -9.427 -8.600 -2.691 329 HG13 ILE 41 2HG1 ILE 41 -8.525 -9.536 -3.868 330 HG21 ILE 41 1HG2 ILE 41 -7.459 -10.861 -1.902 331 HG22 ILE 41 2HG2 ILE 41 -8.354 -9.717 -0.874 332 HG23 ILE 41 3HG2 ILE 41 -8.532 -11.457 -0.621 333 HD11 ILE 41 1HD1 ILE 41 -11.565 -9.323 -3.724 334 HD12 ILE 41 2HD1 ILE 41 -10.508 -8.424 -4.834 335 HD13 ILE 41 3HD1 ILE 41 -10.651 -10.180 -4.987 336 H VAL 42 H VAL 42 -8.916 -11.120 -5.262 337 HA VAL 42 HA VAL 42 -7.027 -13.104 -6.086 338 HB VAL 42 HB VAL 42 -6.575 -11.508 -7.918 339 HG11 VAL 42 1HG1 VAL 42 -9.558 -11.927 -7.405 340 HG12 VAL 42 2HG1 VAL 42 -8.774 -11.641 -8.965 341 HG13 VAL 42 3HG1 VAL 42 -8.437 -13.130 -8.079 342 HG21 VAL 42 1HG2 VAL 42 -6.905 -9.348 -6.756 343 HG22 VAL 42 2HG2 VAL 42 -7.886 -9.482 -8.216 344 HG23 VAL 42 3HG2 VAL 42 -8.652 -9.672 -6.628 345 H ASP 43 H ASP 43 -4.711 -12.973 -6.017 346 HA ASP 43 HA ASP 43 -3.625 -11.273 -3.927 347 HB2 ASP 43 1HB ASP 43 -1.669 -12.590 -4.232 348 HB3 ASP 43 2HB ASP 43 -3.034 -13.673 -4.168 349 H ILE 44 H ILE 44 -1.379 -10.301 -4.463 350 HA ILE 44 HA ILE 44 -1.337 -9.014 -7.109 351 HB ILE 44 HB ILE 44 -2.355 -7.483 -5.465 352 HG12 ILE 44 1HG1 ILE 44 0.417 -6.477 -6.192 353 HG13 ILE 44 2HG1 ILE 44 -0.836 -6.771 -7.405 354 HG21 ILE 44 1HG2 ILE 44 0.314 -7.562 -3.978 355 HG22 ILE 44 2HG2 ILE 44 -1.092 -6.564 -3.580 356 HG23 ILE 44 3HG2 ILE 44 -1.183 -8.319 -3.408 357 HD11 ILE 44 1HD1 ILE 44 -1.171 -4.875 -5.051 358 HD12 ILE 44 2HD1 ILE 44 -0.747 -4.414 -6.694 359 HD13 ILE 44 3HD1 ILE 44 -2.326 -5.156 -6.371 360 H ASP 45 H ASP 45 0.825 -8.558 -7.832 361 HA ASP 45 HA ASP 45 2.828 -10.472 -6.891 362 HB2 ASP 45 1HB ASP 45 2.279 -9.776 -9.287 363 HB3 ASP 45 2HB ASP 45 3.136 -8.271 -8.959 364 H LYS 46 H LYS 46 5.097 -9.651 -6.557 365 HA LYS 46 HA LYS 46 5.092 -7.725 -4.325 366 HB2 LYS 46 1HB LYS 46 7.175 -9.501 -5.655 367 HB3 LYS 46 2HB LYS 46 7.662 -8.197 -4.571 368 HG2 LYS 46 1HG LYS 46 7.516 -9.853 -3.025 369 HG3 LYS 46 2HG LYS 46 5.876 -9.236 -2.926 370 HD2 LYS 46 1HD LYS 46 5.183 -11.057 -4.574 371 HD3 LYS 46 2HD LYS 46 6.831 -11.681 -4.470 372 HE2 LYS 46 1HE LYS 46 5.533 -12.991 -3.011 373 HE3 LYS 46 2HE LYS 46 6.516 -11.948 -1.973 374 HZ1 LYS 46 1HZ LYS 46 4.007 -12.238 -1.507 375 HZ2 LYS 46 2HZ LYS 46 3.769 -11.174 -2.728 376 HZ3 LYS 46 3HZ LYS 46 4.570 -10.712 -1.390 377 H ARG 47 H ARG 47 4.544 -5.768 -5.112 378 HA ARG 47 HA ARG 47 6.467 -4.436 -6.932 379 HB2 ARG 47 1HB ARG 47 3.437 -4.308 -7.144 380 HB3 ARG 47 2HB ARG 47 4.551 -3.312 -8.082 381 HG2 ARG 47 1HG ARG 47 4.536 -6.376 -8.199 382 HG3 ARG 47 2HG ARG 47 3.583 -5.391 -9.241 383 HD2 ARG 47 1HD ARG 47 6.549 -4.923 -9.150 384 HD3 ARG 47 2HD ARG 47 5.870 -6.273 -10.059 385 HE ARG 47 HE ARG 47 4.385 -3.992 -10.750 386 HH11 ARG 47 1HH1 ARG 47 7.641 -5.443 -11.413 387 HH12 ARG 47 2HH1 ARG 47 7.904 -4.378 -12.740 388 HH21 ARG 47 1HH2 ARG 47 4.727 -2.986 -12.871 389 HH22 ARG 47 2HH2 ARG 47 6.293 -3.206 -13.618 390 H LYS 48 H LYS 48 6.392 -2.076 -6.622 391 HA LYS 48 HA LYS 48 5.631 -1.348 -3.803 392 HB2 LYS 48 1HB LYS 48 7.909 -0.136 -5.416 393 HB3 LYS 48 2HB LYS 48 7.536 0.102 -3.710 394 HG2 LYS 48 1HG LYS 48 7.998 -2.367 -3.349 395 HG3 LYS 48 2HG LYS 48 8.549 -2.478 -5.008 396 HD2 LYS 48 1HD LYS 48 9.807 -0.447 -3.147 397 HD3 LYS 48 2HD LYS 48 10.269 -2.144 -3.050 398 HE2 LYS 48 1HE LYS 48 10.350 -1.333 -5.811 399 HE3 LYS 48 2HE LYS 48 11.243 -0.153 -4.834 400 HZ1 LYS 48 1HZ LYS 48 12.636 -1.887 -4.004 401 HZ2 LYS 48 2HZ LYS 48 12.625 -1.935 -5.625 402 HZ3 LYS 48 3HZ LYS 48 11.798 -3.062 -4.832 403 H TYR 49 H TYR 49 3.659 -0.209 -4.007 404 HA TYR 49 HA TYR 49 3.259 1.397 -6.434 405 HB2 TYR 49 2HB TYR 49 1.555 0.671 -4.033 406 HB3 TYR 49 3HB TYR 49 1.074 1.899 -5.187 407 HD1 TYR 49 1HD TYR 49 2.879 -1.038 -6.635 408 HD2 TYR 49 2HD TYR 49 -0.978 0.639 -5.601 409 HE1 TYR 49 1HE TYR 49 1.806 -2.605 -8.139 410 HE2 TYR 49 2HE TYR 49 -2.030 -0.906 -7.264 411 HH TYR 49 HH TYR 49 -0.204 -3.391 -8.985 412 H LEU 50 H LEU 50 3.070 3.607 -6.529 413 HA LEU 50 HA LEU 50 3.984 5.196 -4.171 414 HB2 LEU 50 1HB LEU 50 4.367 5.787 -7.131 415 HB3 LEU 50 2HB LEU 50 4.932 6.743 -5.767 416 HG LEU 50 HG LEU 50 5.947 4.022 -6.671 417 HD11 LEU 50 1HD1 LEU 50 8.054 5.475 -6.930 418 HD12 LEU 50 2HD1 LEU 50 7.010 6.871 -6.646 419 HD13 LEU 50 3HD1 LEU 50 6.727 5.826 -8.048 420 HD21 LEU 50 1HD2 LEU 50 6.752 5.656 -4.231 421 HD22 LEU 50 2HD2 LEU 50 7.630 4.245 -4.903 422 HD23 LEU 50 3HD2 LEU 50 6.020 4.039 -4.240 423 H VAL 51 H VAL 51 2.195 6.254 -3.361 424 HA VAL 51 HA VAL 51 0.202 7.230 -5.328 425 HB VAL 51 HB VAL 51 -1.344 7.191 -3.490 426 HG11 VAL 51 1HG1 VAL 51 -0.795 5.123 -4.928 427 HG12 VAL 51 2HG1 VAL 51 0.101 4.513 -3.527 428 HG13 VAL 51 3HG1 VAL 51 -1.627 4.866 -3.380 429 HG21 VAL 51 1HG2 VAL 51 0.907 6.059 -1.773 430 HG22 VAL 51 2HG2 VAL 51 0.030 7.585 -1.513 431 HG23 VAL 51 3HG2 VAL 51 -0.811 6.041 -1.352 432 HA PRO 52 HA PRO 52 1.600 11.318 -4.235 433 HB2 PRO 52 2HB PRO 52 -0.398 12.900 -5.199 434 HB3 PRO 52 3HB PRO 52 0.717 11.977 -6.278 435 HG2 PRO 52 2HG PRO 52 -2.050 11.317 -5.422 436 HG3 PRO 52 3HG PRO 52 -1.359 11.172 -7.031 437 HD2 PRO 52 2HD PRO 52 -1.558 9.004 -5.290 438 HD3 PRO 52 3HD PRO 52 -0.232 9.154 -6.480 439 H SER 53 H SER 53 1.555 12.723 -2.543 440 HA SER 53 HA SER 53 0.087 12.180 -0.266 441 HB2 SER 53 1HB SER 53 1.022 14.983 -0.608 442 HB3 SER 53 2HB SER 53 1.379 13.822 0.668 443 HG SER 53 HG SER 53 2.737 14.504 -1.604 444 H ASP 54 H ASP 54 -0.865 14.072 -2.947 445 HA ASP 54 HA ASP 54 -2.767 15.798 -1.569 446 HB2 ASP 54 1HB ASP 54 -1.993 15.266 -4.436 447 HB3 ASP 54 2HB ASP 54 -3.496 16.121 -4.102 448 H ILE 55 H ILE 55 -3.124 12.635 -3.238 449 HA ILE 55 HA ILE 55 -6.018 12.989 -3.366 450 HB ILE 55 HB ILE 55 -6.125 10.657 -4.015 451 HG12 ILE 55 1HG1 ILE 55 -3.248 10.139 -4.292 452 HG13 ILE 55 2HG1 ILE 55 -3.705 10.299 -2.638 453 HG21 ILE 55 1HG2 ILE 55 -4.038 12.274 -5.516 454 HG22 ILE 55 2HG2 ILE 55 -4.820 10.794 -6.133 455 HG23 ILE 55 3HG2 ILE 55 -5.781 12.231 -5.775 456 HD11 ILE 55 1HD1 ILE 55 -5.442 8.543 -2.966 457 HD12 ILE 55 2HD1 ILE 55 -4.995 8.432 -4.685 458 HD13 ILE 55 3HD1 ILE 55 -3.830 7.963 -3.428 459 H THR 56 H THR 56 -7.533 11.408 -2.274 460 HA THR 56 HA THR 56 -6.818 11.159 0.586 461 HB THR 56 HB THR 56 -9.409 10.974 0.731 462 HG1 THR 56 1HG THR 56 -10.386 12.208 -1.014 463 HG21 THR 56 1HG2 THR 56 -8.145 12.921 1.530 464 HG22 THR 56 2HG2 THR 56 -9.615 13.449 0.735 465 HG23 THR 56 3HG2 THR 56 -8.066 13.580 -0.120 466 H VAL 57 H VAL 57 -7.688 9.278 1.755 467 HA VAL 57 HA VAL 57 -6.768 6.834 0.687 468 HB VAL 57 HB VAL 57 -8.661 7.485 2.933 469 HG11 VAL 57 1HG1 VAL 57 -8.935 5.064 2.306 470 HG12 VAL 57 2HG1 VAL 57 -7.188 4.846 2.513 471 HG13 VAL 57 3HG1 VAL 57 -8.217 5.276 3.897 472 HG21 VAL 57 1HG2 VAL 57 -6.817 7.223 4.429 473 HG22 VAL 57 2HG2 VAL 57 -5.737 6.727 3.110 474 HG23 VAL 57 3HG2 VAL 57 -6.340 8.390 3.196 475 H ALA 58 H ALA 58 -10.033 8.253 0.564 476 HA ALA 58 HA ALA 58 -11.427 5.963 -0.361 477 HB1 ALA 58 1HB ALA 58 -13.051 7.584 -1.217 478 HB2 ALA 58 2HB ALA 58 -12.507 8.108 0.375 479 HB3 ALA 58 3HB ALA 58 -11.872 8.896 -1.088 480 H GLN 59 H GLN 59 -9.653 8.513 -2.172 481 HA GLN 59 HA GLN 59 -10.243 7.491 -4.777 482 HB2 GLN 59 1HB GLN 59 -7.859 9.128 -3.816 483 HB3 GLN 59 2HB GLN 59 -8.277 8.829 -5.499 484 HG2 GLN 59 1HG GLN 59 -10.417 10.024 -5.203 485 HG3 GLN 59 2HG GLN 59 -10.057 10.298 -3.501 486 HE21 GLN 59 1HE2 GLN 59 -8.308 13.282 -4.249 487 HE22 GLN 59 2HE2 GLN 59 -9.224 12.324 -3.080 488 H PHE 60 H PHE 60 -7.448 6.978 -2.531 489 HA PHE 60 HA PHE 60 -6.022 5.255 -4.253 490 HB2 PHE 60 2HB PHE 60 -5.124 6.312 -2.196 491 HB3 PHE 60 3HB PHE 60 -6.078 5.211 -1.228 492 HD1 PHE 60 1HD PHE 60 -3.877 4.790 -0.118 493 HD2 PHE 60 2HD PHE 60 -4.550 3.637 -4.229 494 HE1 PHE 60 1HE PHE 60 -1.950 3.326 -0.014 495 HE2 PHE 60 2HE PHE 60 -2.651 2.074 -4.086 496 HZ PHE 60 HZ PHE 60 -1.324 1.896 -1.998 497 H MET 61 H MET 61 -8.475 4.455 -1.744 498 HA MET 61 HA MET 61 -8.468 1.677 -2.092 499 HB2 MET 61 1HB MET 61 -9.577 2.942 -0.244 500 HB3 MET 61 2HB MET 61 -10.873 3.413 -1.363 501 HG2 MET 61 1HG MET 61 -11.477 1.077 -1.714 502 HG3 MET 61 2HG MET 61 -10.017 0.552 -0.883 503 HE1 MET 61 1HE MET 61 -12.644 3.315 0.403 504 HE2 MET 61 2HE MET 61 -13.635 2.048 -0.368 505 HE3 MET 61 3HE MET 61 -13.663 2.251 1.400 506 H TRP 62 H TRP 62 -10.226 4.202 -3.963 507 HA TRP 62 HA TRP 62 -11.696 2.302 -5.542 508 HB2 TRP 62 2HB TRP 62 -11.310 5.253 -5.595 509 HB3 TRP 62 3HB TRP 62 -11.773 4.459 -7.099 510 HD1 TRP 62 HD1 TRP 62 -12.977 4.502 -3.410 511 HE1 TRP 62 1HE TRP 62 -15.478 4.001 -3.328 512 HE3 TRP 62 3HE TRP 62 -13.814 3.841 -8.422 513 HZ2 TRP 62 2HZ TRP 62 -17.521 3.131 -5.183 514 HZ3 TRP 62 3HZ TRP 62 -16.057 3.159 -9.237 515 HH2 TRP 62 HH2 TRP 62 -17.901 2.749 -7.626 516 H ILE 63 H ILE 63 -8.539 3.925 -5.945 517 HA ILE 63 HA ILE 63 -8.121 2.924 -8.598 518 HB ILE 63 HB ILE 63 -6.118 3.808 -6.481 519 HG12 ILE 63 1HG1 ILE 63 -6.949 5.379 -8.945 520 HG13 ILE 63 2HG1 ILE 63 -7.925 5.478 -7.501 521 HG21 ILE 63 1HG2 ILE 63 -4.629 4.149 -8.532 522 HG22 ILE 63 2HG2 ILE 63 -4.946 2.456 -8.118 523 HG23 ILE 63 3HG2 ILE 63 -5.809 3.224 -9.462 524 HD11 ILE 63 1HD1 ILE 63 -6.389 7.314 -7.459 525 HD12 ILE 63 2HD1 ILE 63 -5.940 6.196 -6.180 526 HD13 ILE 63 3HD1 ILE 63 -5.004 6.226 -7.687 527 H ILE 64 H ILE 64 -7.250 1.633 -5.323 528 HA ILE 64 HA ILE 64 -5.857 -0.667 -6.252 529 HB ILE 64 HB ILE 64 -7.459 -0.178 -3.715 530 HG12 ILE 64 1HG1 ILE 64 -4.439 -0.318 -3.876 531 HG13 ILE 64 2HG1 ILE 64 -5.299 1.195 -4.159 532 HG21 ILE 64 1HG2 ILE 64 -5.664 -2.496 -4.523 533 HG22 ILE 64 2HG2 ILE 64 -6.020 -2.141 -2.834 534 HG23 ILE 64 3HG2 ILE 64 -7.329 -2.577 -3.936 535 HD11 ILE 64 1HD1 ILE 64 -4.581 1.055 -1.838 536 HD12 ILE 64 2HD1 ILE 64 -6.344 1.045 -1.929 537 HD13 ILE 64 3HD1 ILE 64 -5.450 -0.454 -1.600 538 H ARG 65 H ARG 65 -9.367 -0.438 -5.293 539 HA ARG 65 HA ARG 65 -9.902 -3.118 -6.019 540 HB2 ARG 65 1HB ARG 65 -12.264 -2.530 -5.960 541 HB3 ARG 65 2HB ARG 65 -11.399 -1.795 -4.619 542 HG2 ARG 65 1HG ARG 65 -11.260 0.309 -5.973 543 HG3 ARG 65 2HG ARG 65 -12.332 -0.410 -7.169 544 HD2 ARG 65 1HD ARG 65 -12.963 0.106 -4.227 545 HD3 ARG 65 2HD ARG 65 -13.531 1.073 -5.606 546 HE ARG 65 HE ARG 65 -14.273 -1.497 -6.219 547 HH11 ARG 65 1HH1 ARG 65 -15.242 1.003 -3.891 548 HH12 ARG 65 2HH1 ARG 65 -16.803 0.288 -3.622 549 HH21 ARG 65 1HH2 ARG 65 -16.242 -2.315 -5.953 550 HH22 ARG 65 2HH2 ARG 65 -17.411 -1.666 -4.813 551 H LYS 66 H LYS 66 -9.895 -0.215 -8.119 552 HA LYS 66 HA LYS 66 -10.918 -1.651 -10.417 553 HB2 LYS 66 1HB LYS 66 -9.357 0.933 -10.028 554 HB3 LYS 66 2HB LYS 66 -9.714 0.302 -11.626 555 HG2 LYS 66 1HG LYS 66 -12.165 0.303 -11.069 556 HG3 LYS 66 2HG LYS 66 -11.783 1.164 -9.572 557 HD2 LYS 66 1HD LYS 66 -11.105 2.095 -12.408 558 HD3 LYS 66 2HD LYS 66 -12.456 2.695 -11.430 559 HE2 LYS 66 1HE LYS 66 -10.979 3.662 -9.792 560 HE3 LYS 66 2HE LYS 66 -9.558 2.882 -10.501 561 HZ1 LYS 66 1HZ LYS 66 -9.749 4.283 -12.411 562 HZ2 LYS 66 2HZ LYS 66 -9.769 5.200 -11.021 563 HZ3 LYS 66 3HZ LYS 66 -11.153 4.975 -11.829 564 H ARG 67 H ARG 67 -7.600 -0.909 -9.210 565 HA ARG 67 HA ARG 67 -6.139 -1.856 -11.411 566 HB2 ARG 67 1HB ARG 67 -5.603 -1.473 -8.454 567 HB3 ARG 67 2HB ARG 67 -4.413 -2.302 -9.408 568 HG2 ARG 67 1HG ARG 67 -5.435 0.321 -10.494 569 HG3 ARG 67 2HG ARG 67 -4.406 0.360 -9.065 570 HD2 ARG 67 1HD ARG 67 -3.105 0.628 -11.160 571 HD3 ARG 67 2HD ARG 67 -2.595 -0.734 -10.171 572 HE ARG 67 HE ARG 67 -3.342 -2.254 -11.689 573 HH11 ARG 67 1HH1 ARG 67 -4.187 1.025 -12.871 574 HH12 ARG 67 2HH1 ARG 67 -4.411 0.518 -14.503 575 HH21 ARG 67 1HH2 ARG 67 -3.402 -2.856 -13.853 576 HH22 ARG 67 2HH2 ARG 67 -3.509 -1.686 -15.111 577 H ILE 68 H ILE 68 -7.171 -3.631 -8.466 578 HA ILE 68 HA ILE 68 -6.154 -6.112 -9.643 579 HB ILE 68 HB ILE 68 -6.668 -7.147 -7.603 580 HG12 ILE 68 1HG1 ILE 68 -8.281 -4.670 -6.847 581 HG13 ILE 68 2HG1 ILE 68 -8.925 -6.279 -7.209 582 HG21 ILE 68 1HG2 ILE 68 -5.696 -4.369 -6.813 583 HG22 ILE 68 2HG2 ILE 68 -5.278 -5.936 -6.093 584 HG23 ILE 68 3HG2 ILE 68 -4.710 -5.546 -7.709 585 HD11 ILE 68 1HD1 ILE 68 -7.267 -5.514 -4.792 586 HD12 ILE 68 2HD1 ILE 68 -8.929 -6.140 -4.871 587 HD13 ILE 68 3HD1 ILE 68 -7.576 -7.207 -5.276 588 H GLN 69 H GLN 69 -8.917 -4.389 -10.294 589 HA GLN 69 HA GLN 69 -10.917 -4.826 -11.203 590 HB2 GLN 69 1HB GLN 69 -9.313 -7.220 -12.097 591 HB3 GLN 69 2HB GLN 69 -11.018 -7.140 -12.495 592 HG2 GLN 69 1HG GLN 69 -9.369 -4.718 -13.109 593 HG3 GLN 69 2HG GLN 69 -9.143 -6.159 -14.095 594 HE21 GLN 69 1HE2 GLN 69 -12.155 -5.777 -15.918 595 HE22 GLN 69 2HE2 GLN 69 -10.615 -6.618 -15.682 596 H LEU 70 H LEU 70 -11.231 -4.934 -8.647 597 HA LEU 70 HA LEU 70 -12.206 -7.389 -7.542 598 HB2 LEU 70 1HB LEU 70 -11.406 -5.595 -6.131 599 HB3 LEU 70 2HB LEU 70 -12.617 -4.490 -6.757 600 HG LEU 70 HG LEU 70 -12.857 -5.612 -4.371 601 HD11 LEU 70 1HD1 LEU 70 -15.257 -5.445 -4.397 602 HD12 LEU 70 2HD1 LEU 70 -15.272 -5.328 -6.150 603 HD13 LEU 70 3HD1 LEU 70 -14.483 -4.056 -5.187 604 HD21 LEU 70 1HD2 LEU 70 -12.741 -7.961 -5.365 605 HD22 LEU 70 2HD2 LEU 70 -14.438 -7.687 -5.837 606 HD23 LEU 70 3HD2 LEU 70 -13.957 -7.586 -4.143 607 HA PRO 71 HA PRO 71 -15.978 -6.959 -10.139 608 HB2 PRO 71 2HB PRO 71 -17.050 -9.420 -9.716 609 HB3 PRO 71 3HB PRO 71 -15.563 -9.212 -10.694 610 HG2 PRO 71 2HG PRO 71 -15.739 -9.860 -7.717 611 HG3 PRO 71 3HG PRO 71 -14.869 -10.799 -8.970 612 HD2 PRO 71 2HD PRO 71 -13.586 -8.967 -7.469 613 HD3 PRO 71 3HD PRO 71 -13.262 -9.103 -9.206 614 H SER 72 H SER 72 -18.356 -7.012 -9.715 615 HA SER 72 HA SER 72 -19.094 -5.904 -7.236 616 HB2 SER 72 1HB SER 72 -20.858 -7.421 -9.194 617 HB3 SER 72 2HB SER 72 -21.387 -6.197 -8.021 618 HG SER 72 HG SER 72 -20.935 -5.663 -10.373 619 H GLU 73 H GLU 73 -18.829 -9.303 -8.219 620 HA GLU 73 HA GLU 73 -20.514 -10.434 -6.256 621 HB2 GLU 73 1HB GLU 73 -19.379 -12.540 -6.742 622 HB3 GLU 73 2HB GLU 73 -19.855 -11.699 -8.207 623 HG2 GLU 73 1HG GLU 73 -17.606 -11.020 -8.588 624 HG3 GLU 73 2HG GLU 73 -17.063 -11.641 -7.039 625 H LYS 74 H LYS 74 -17.068 -9.424 -5.933 626 HA LYS 74 HA LYS 74 -17.166 -10.460 -3.152 627 HB2 LYS 74 1HB LYS 74 -14.557 -9.727 -4.409 628 HB3 LYS 74 2HB LYS 74 -14.885 -10.765 -3.040 629 HG2 LYS 74 1HG LYS 74 -15.224 -11.375 -5.975 630 HG3 LYS 74 2HG LYS 74 -14.035 -12.027 -4.884 631 HD2 LYS 74 1HD LYS 74 -17.034 -12.628 -4.664 632 HD3 LYS 74 2HD LYS 74 -15.843 -13.570 -5.517 633 HE2 LYS 74 1HE LYS 74 -15.816 -14.767 -3.625 634 HE3 LYS 74 2HE LYS 74 -14.561 -13.608 -3.201 635 HZ1 LYS 74 1HZ LYS 74 -17.421 -13.488 -2.384 636 HZ2 LYS 74 2HZ LYS 74 -16.300 -12.374 -1.940 637 HZ3 LYS 74 3HZ LYS 74 -16.188 -13.919 -1.427 638 H ALA 75 H ALA 75 -15.872 -9.202 -1.581 639 HA ALA 75 HA ALA 75 -16.427 -6.282 -1.827 640 HB1 ALA 75 1HB ALA 75 -16.563 -6.309 0.634 641 HB2 ALA 75 2HB ALA 75 -17.706 -7.474 -0.058 642 HB3 ALA 75 3HB ALA 75 -16.182 -8.045 0.658 643 H ILE 76 H ILE 76 -14.725 -5.071 -0.183 644 HA ILE 76 HA ILE 76 -12.065 -6.275 -0.274 645 HB ILE 76 HB ILE 76 -12.487 -5.085 -2.411 646 HG12 ILE 76 1HG1 ILE 76 -10.401 -3.451 -2.007 647 HG13 ILE 76 2HG1 ILE 76 -10.245 -4.431 -0.555 648 HG21 ILE 76 1HG2 ILE 76 -12.552 -2.495 -0.860 649 HG22 ILE 76 2HG2 ILE 76 -12.593 -2.707 -2.615 650 HG23 ILE 76 3HG2 ILE 76 -13.955 -3.257 -1.633 651 HD11 ILE 76 1HD1 ILE 76 -10.195 -6.464 -1.986 652 HD12 ILE 76 2HD1 ILE 76 -10.402 -5.413 -3.418 653 HD13 ILE 76 3HD1 ILE 76 -8.927 -5.289 -2.442 654 H PHE 77 H PHE 77 -10.794 -5.616 1.434 655 HA PHE 77 HA PHE 77 -11.545 -3.306 3.102 656 HB2 PHE 77 2HB PHE 77 -11.223 -6.183 4.093 657 HB3 PHE 77 3HB PHE 77 -11.144 -4.775 5.131 658 HD1 PHE 77 1HD PHE 77 -13.414 -6.809 3.012 659 HD2 PHE 77 2HD PHE 77 -13.091 -3.673 5.956 660 HE1 PHE 77 1HE PHE 77 -15.857 -6.949 3.435 661 HE2 PHE 77 2HE PHE 77 -15.525 -3.871 6.432 662 HZ PHE 77 HZ PHE 77 -16.907 -5.492 5.157 663 H LEU 78 H LEU 78 -9.744 -2.388 3.996 664 HA LEU 78 HA LEU 78 -7.026 -3.585 3.585 665 HB2 LEU 78 1HB LEU 78 -8.006 -0.697 3.583 666 HB3 LEU 78 2HB LEU 78 -6.311 -1.104 3.766 667 HG LEU 78 HG LEU 78 -7.781 -2.282 1.429 668 HD11 LEU 78 1HD1 LEU 78 -8.436 0.131 1.431 669 HD12 LEU 78 2HD1 LEU 78 -7.329 -0.247 0.081 670 HD13 LEU 78 3HD1 LEU 78 -6.737 0.570 1.538 671 HD21 LEU 78 1HD2 LEU 78 -5.378 -2.837 1.983 672 HD22 LEU 78 2HD2 LEU 78 -4.968 -1.153 1.607 673 HD23 LEU 78 3HD2 LEU 78 -5.644 -2.203 0.348 674 H PHE 79 H PHE 79 -5.614 -3.463 5.379 675 HA PHE 79 HA PHE 79 -6.624 -2.302 7.920 676 HB2 PHE 79 2HB PHE 79 -5.309 -5.039 7.674 677 HB3 PHE 79 3HB PHE 79 -5.989 -4.303 9.118 678 HD1 PHE 79 1HD PHE 79 -6.770 -5.851 5.823 679 HD2 PHE 79 2HD PHE 79 -8.390 -4.524 9.595 680 HE1 PHE 79 1HE PHE 79 -8.933 -6.879 5.262 681 HE2 PHE 79 2HE PHE 79 -10.542 -5.588 9.047 682 HZ PHE 79 HZ PHE 79 -10.814 -6.813 6.875 683 H VAL 80 H VAL 80 -5.025 -0.915 8.663 684 HA VAL 80 HA VAL 80 -2.221 -1.540 7.912 685 HB VAL 80 HB VAL 80 -3.193 0.251 6.566 686 HG11 VAL 80 1HG1 VAL 80 -3.266 2.011 9.027 687 HG12 VAL 80 2HG1 VAL 80 -3.867 2.358 7.407 688 HG13 VAL 80 3HG1 VAL 80 -4.712 1.192 8.424 689 HG21 VAL 80 1HG2 VAL 80 -0.980 1.112 8.486 690 HG22 VAL 80 2HG2 VAL 80 -0.773 0.109 7.038 691 HG23 VAL 80 3HG2 VAL 80 -1.272 1.791 6.890 692 H ASP 81 H ASP 81 -0.935 -1.794 9.631 693 HA ASP 81 HA ASP 81 -0.449 -2.202 11.797 694 HB2 ASP 81 1HB ASP 81 -0.211 0.574 11.053 695 HB3 ASP 81 2HB ASP 81 -0.635 0.549 12.741 696 H LYS 82 H LYS 82 -3.076 -2.775 11.385 697 HA LYS 82 HA LYS 82 -4.888 -3.453 12.461 698 HB2 LYS 82 1HB LYS 82 -2.887 -3.864 14.129 699 HB3 LYS 82 2HB LYS 82 -3.825 -2.870 15.218 700 HG2 LYS 82 1HG LYS 82 -5.479 -4.490 15.438 701 HG3 LYS 82 2HG LYS 82 -5.293 -5.043 13.765 702 HD2 LYS 82 1HD LYS 82 -2.982 -5.958 14.511 703 HD3 LYS 82 2HD LYS 82 -3.626 -5.812 16.162 704 HE2 LYS 82 1HE LYS 82 -5.542 -7.258 15.549 705 HE3 LYS 82 2HE LYS 82 -5.038 -7.224 13.851 706 HZ1 LYS 82 1HZ LYS 82 -3.683 -8.602 16.065 707 HZ2 LYS 82 2HZ LYS 82 -2.945 -8.300 14.609 708 HZ3 LYS 82 3HZ LYS 82 -4.275 -9.227 14.658 709 H THR 83 H THR 83 -4.955 -0.945 11.473 710 HA THR 83 HA THR 83 -7.107 0.317 13.071 711 HB THR 83 HB THR 83 -6.309 2.545 12.506 712 HG1 THR 83 1HG THR 83 -4.162 1.186 11.256 713 HG21 THR 83 1HG2 THR 83 -3.986 1.099 13.803 714 HG22 THR 83 2HG2 THR 83 -5.510 1.516 14.647 715 HG23 THR 83 3HG2 THR 83 -4.462 2.792 14.000 716 H VAL 84 H VAL 84 -8.555 1.610 11.608 717 HA VAL 84 HA VAL 84 -8.640 0.413 8.884 718 HB VAL 84 HB VAL 84 -10.549 -0.266 10.008 719 HG11 VAL 84 1HG1 VAL 84 -12.194 1.064 11.085 720 HG12 VAL 84 2HG1 VAL 84 -10.642 1.383 11.875 721 HG13 VAL 84 3HG1 VAL 84 -11.306 2.575 10.740 722 HG21 VAL 84 1HG2 VAL 84 -11.304 2.082 8.226 723 HG22 VAL 84 2HG2 VAL 84 -10.899 0.437 7.700 724 HG23 VAL 84 3HG2 VAL 84 -12.355 0.730 8.665 725 HA PRO 85 HA PRO 85 -7.257 4.644 8.160 726 HB2 PRO 85 2HB PRO 85 -6.759 4.482 5.473 727 HB3 PRO 85 3HB PRO 85 -5.666 3.856 6.744 728 HG2 PRO 85 2HG PRO 85 -7.602 2.302 5.034 729 HG3 PRO 85 3HG PRO 85 -5.945 1.846 5.571 730 HD2 PRO 85 2HD PRO 85 -8.256 0.955 6.781 731 HD3 PRO 85 3HD PRO 85 -6.696 1.124 7.629 732 H GLN 86 H GLN 86 -8.660 6.287 8.088 733 HA GLN 86 HA GLN 86 -11.325 5.975 7.174 734 HB2 GLN 86 1HB GLN 86 -10.725 7.449 9.040 735 HB3 GLN 86 2HB GLN 86 -9.725 8.452 7.993 736 HG2 GLN 86 1HG GLN 86 -11.700 9.115 6.685 737 HG3 GLN 86 2HG GLN 86 -12.712 8.029 7.643 738 HE21 GLN 86 1HE2 GLN 86 -13.269 11.442 8.920 739 HE22 GLN 86 2HE2 GLN 86 -13.538 10.617 7.406 740 H SER 87 H SER 87 -12.108 6.166 5.108 741 HA SER 87 HA SER 87 -10.561 6.633 2.884 742 HB2 SER 87 1HB SER 87 -13.485 7.187 2.833 743 HB3 SER 87 2HB SER 87 -12.479 6.313 1.676 744 HG SER 87 HG SER 87 -12.207 4.663 3.308 745 H SER 88 H SER 88 -12.325 9.040 4.829 746 HA SER 88 HA SER 88 -11.913 11.176 2.890 747 HB2 SER 88 1HB SER 88 -13.717 10.847 4.862 748 HB3 SER 88 2HB SER 88 -12.547 11.873 5.709 749 HG SER 88 HG SER 88 -12.734 13.278 3.714 750 H LEU 89 H LEU 89 -9.610 9.665 4.928 751 HA LEU 89 HA LEU 89 -8.277 12.094 5.804 752 HB2 LEU 89 1HB LEU 89 -8.326 9.802 6.929 753 HB3 LEU 89 2HB LEU 89 -7.275 9.231 5.631 754 HG LEU 89 HG LEU 89 -5.513 10.821 6.342 755 HD11 LEU 89 1HD1 LEU 89 -5.789 11.934 8.599 756 HD12 LEU 89 2HD1 LEU 89 -7.529 11.568 8.521 757 HD13 LEU 89 3HD1 LEU 89 -6.782 12.656 7.336 758 HD21 LEU 89 1HD2 LEU 89 -4.953 9.637 8.427 759 HD22 LEU 89 2HD2 LEU 89 -5.698 8.514 7.276 760 HD23 LEU 89 3HD2 LEU 89 -6.654 9.127 8.618 761 H THR 90 H THR 90 -6.315 12.970 4.847 762 HA THR 90 HA THR 90 -6.050 12.489 1.996 763 HB THR 90 HB THR 90 -4.245 14.347 3.499 764 HG1 THR 90 1HG THR 90 -6.357 15.768 3.173 765 HG21 THR 90 1HG2 THR 90 -4.282 14.226 0.999 766 HG22 THR 90 2HG2 THR 90 -4.759 15.821 1.596 767 HG23 THR 90 3HG2 THR 90 -5.996 14.681 1.017 768 H MET 91 H MET 91 -4.044 11.772 0.957 769 HA MET 91 HA MET 91 -2.747 9.642 2.241 770 HB2 MET 91 1HB MET 91 -2.060 11.298 -0.193 771 HB3 MET 91 2HB MET 91 -0.890 10.112 0.414 772 HG2 MET 91 1HG MET 91 -3.722 9.513 -0.486 773 HG3 MET 91 2HG MET 91 -2.232 9.201 -1.377 774 HE1 MET 91 1HE MET 91 -4.339 6.428 1.359 775 HE2 MET 91 2HE MET 91 -4.534 8.194 1.520 776 HE3 MET 91 3HE MET 91 -4.854 7.403 -0.042 777 H GLY 92 H GLY 92 -1.538 13.032 1.797 778 HA2 GLY 92 1HA GLY 92 0.924 12.656 3.090 779 HA3 GLY 92 2HA GLY 92 0.040 14.174 3.025 780 H GLN 93 H GLN 93 -2.254 13.409 4.579 781 HA GLN 93 HA GLN 93 -1.192 13.806 7.199 782 HB2 GLN 93 1HB GLN 93 -3.729 14.049 6.039 783 HB3 GLN 93 2HB GLN 93 -3.920 12.676 7.147 784 HG2 GLN 93 1HG GLN 93 -2.915 14.073 8.978 785 HG3 GLN 93 2HG GLN 93 -2.915 15.462 7.876 786 HE21 GLN 93 1HE2 GLN 93 -6.577 15.656 7.891 787 HE22 GLN 93 2HE2 GLN 93 -5.179 15.935 6.846 788 H LEU 94 H LEU 94 -2.672 10.999 5.600 789 HA LEU 94 HA LEU 94 -2.461 9.149 7.728 790 HB2 LEU 94 1HB LEU 94 -3.934 8.860 5.860 791 HB3 LEU 94 2HB LEU 94 -2.622 8.872 4.713 792 HG LEU 94 HG LEU 94 -2.147 6.802 6.740 793 HD11 LEU 94 1HD1 LEU 94 -4.826 6.675 5.332 794 HD12 LEU 94 2HD1 LEU 94 -4.493 6.665 7.084 795 HD13 LEU 94 3HD1 LEU 94 -3.997 5.302 6.126 796 HD21 LEU 94 1HD2 LEU 94 -1.958 5.409 4.728 797 HD22 LEU 94 2HD2 LEU 94 -1.057 6.891 4.580 798 HD23 LEU 94 3HD2 LEU 94 -2.630 6.711 3.729 799 H TYR 95 H TYR 95 -0.195 9.878 5.082 800 HA TYR 95 HA TYR 95 1.772 7.863 5.563 801 HB2 TYR 95 2HB TYR 95 1.820 9.163 3.528 802 HB3 TYR 95 3HB TYR 95 1.853 10.684 4.393 803 HD1 TYR 95 1HD TYR 95 3.885 7.499 4.340 804 HD2 TYR 95 2HD TYR 95 3.881 11.815 4.195 805 HE1 TYR 95 1HE TYR 95 6.278 7.476 3.809 806 HE2 TYR 95 2HE TYR 95 6.286 11.800 3.638 807 HH TYR 95 HH TYR 95 8.073 8.742 3.041 808 H GLU 96 H GLU 96 1.532 11.333 6.626 809 HA GLU 96 HA GLU 96 3.844 11.173 8.275 810 HB2 GLU 96 1HB GLU 96 1.563 13.166 8.107 811 HB3 GLU 96 2HB GLU 96 2.953 13.379 9.178 812 HG2 GLU 96 1HG GLU 96 4.485 13.086 7.211 813 HG3 GLU 96 2HG GLU 96 3.107 13.017 6.144 814 H LYS 97 H LYS 97 0.502 10.239 8.976 815 HA LYS 97 HA LYS 97 1.186 10.055 11.836 816 HB2 LYS 97 1HB LYS 97 -1.013 9.913 12.384 817 HB3 LYS 97 2HB LYS 97 -0.990 11.005 11.015 818 HG2 LYS 97 1HG LYS 97 -2.784 9.737 10.351 819 HG3 LYS 97 2HG LYS 97 -1.486 8.799 9.662 820 HD2 LYS 97 1HD LYS 97 -2.994 7.249 10.705 821 HD3 LYS 97 2HD LYS 97 -1.538 7.298 11.688 822 HE2 LYS 97 1HE LYS 97 -3.080 7.340 13.327 823 HE3 LYS 97 2HE LYS 97 -2.875 9.081 13.082 824 HZ1 LYS 97 1HZ LYS 97 -4.892 8.995 11.668 825 HZ2 LYS 97 2HZ LYS 97 -5.189 8.525 13.190 826 HZ3 LYS 97 3HZ LYS 97 -5.056 7.381 12.032 827 H GLU 98 H GLU 98 0.845 7.838 9.074 828 HA GLU 98 HA GLU 98 1.048 5.532 10.949 829 HB2 GLU 98 1HB GLU 98 0.385 5.587 7.982 830 HB3 GLU 98 2HB GLU 98 0.333 4.174 9.049 831 HG2 GLU 98 1HG GLU 98 -1.442 5.400 10.392 832 HG3 GLU 98 2HG GLU 98 -1.461 6.605 9.120 833 H LYS 99 H LYS 99 3.194 7.396 9.215 834 HA LYS 99 HA LYS 99 4.893 6.010 7.714 835 HB2 LYS 99 1HB LYS 99 4.964 8.398 9.085 836 HB3 LYS 99 2HB LYS 99 6.235 7.548 9.914 837 HG2 LYS 99 1HG LYS 99 7.350 7.098 7.717 838 HG3 LYS 99 2HG LYS 99 6.087 8.041 6.906 839 HD2 LYS 99 1HD LYS 99 7.925 9.091 9.098 840 HD3 LYS 99 2HD LYS 99 8.193 9.336 7.365 841 HE2 LYS 99 1HE LYS 99 6.179 10.667 7.151 842 HE3 LYS 99 2HE LYS 99 5.675 10.266 8.801 843 HZ1 LYS 99 1HZ LYS 99 8.075 11.878 8.179 844 HZ2 LYS 99 2HZ LYS 99 7.505 11.483 9.671 845 HZ3 LYS 99 3HZ LYS 99 6.629 12.455 8.718 846 H ASP 100 H ASP 100 6.045 4.033 7.805 847 HA ASP 100 HA ASP 100 6.312 2.628 10.289 848 HB2 ASP 100 1HB ASP 100 6.196 1.471 8.105 849 HB3 ASP 100 2HB ASP 100 7.692 2.270 7.596 850 H GLU 101 H GLU 101 8.465 1.977 11.155 851 HA GLU 101 HA GLU 101 10.079 4.166 11.903 852 HB2 GLU 101 1HB GLU 101 11.473 2.508 12.940 853 HB3 GLU 101 2HB GLU 101 9.797 1.958 13.094 854 HG2 GLU 101 1HG GLU 101 10.272 0.605 10.915 855 HG3 GLU 101 2HG GLU 101 11.980 0.932 11.227 856 H ASP 102 H ASP 102 10.286 1.927 9.144 857 HA ASP 102 HA ASP 102 12.986 2.867 8.432 858 HB2 ASP 102 1HB ASP 102 11.536 0.532 8.017 859 HB3 ASP 102 2HB ASP 102 11.414 1.326 6.464 860 H GLY 103 H GLY 103 9.571 3.377 7.492 861 HA2 GLY 103 1HA GLY 103 9.237 5.783 6.837 862 HA3 GLY 103 2HA GLY 103 10.421 5.518 5.564 863 H PHE 104 H PHE 104 9.012 2.744 5.236 864 HA PHE 104 HA PHE 104 7.170 3.756 3.195 865 HB2 PHE 104 2HB PHE 104 7.207 1.562 2.256 866 HB3 PHE 104 3HB PHE 104 8.857 1.991 2.656 867 HD1 PHE 104 1HD PHE 104 6.432 -0.604 2.860 868 HD2 PHE 104 2HD PHE 104 9.668 1.170 5.125 869 HE1 PHE 104 1HE PHE 104 6.706 -2.682 4.166 870 HE2 PHE 104 2HE PHE 104 9.882 -0.885 6.437 871 HZ PHE 104 HZ PHE 104 8.421 -2.803 5.982 872 H LEU 105 H LEU 105 5.126 2.087 2.880 873 HA LEU 105 HA LEU 105 3.858 1.963 5.570 874 HB2 LEU 105 1HB LEU 105 3.085 3.846 3.702 875 HB3 LEU 105 2HB LEU 105 2.059 2.477 3.259 876 HG LEU 105 HG LEU 105 1.551 2.306 5.790 877 HD11 LEU 105 1HD1 LEU 105 2.582 5.189 5.769 878 HD12 LEU 105 2HD1 LEU 105 3.461 3.834 6.508 879 HD13 LEU 105 3HD1 LEU 105 1.893 4.277 7.128 880 HD21 LEU 105 1HD2 LEU 105 0.614 4.803 4.338 881 HD22 LEU 105 2HD2 LEU 105 -0.174 4.018 5.707 882 HD23 LEU 105 3HD2 LEU 105 -0.068 3.178 4.135 883 H TYR 106 H TYR 106 3.207 0.016 6.109 884 HA TYR 106 HA TYR 106 2.981 -2.023 4.011 885 HB2 TYR 106 2HB TYR 106 3.470 -3.642 5.811 886 HB3 TYR 106 3HB TYR 106 4.777 -2.514 5.540 887 HD1 TYR 106 1HD TYR 106 5.130 -0.558 7.165 888 HD2 TYR 106 2HD TYR 106 2.501 -3.873 7.988 889 HE1 TYR 106 1HE TYR 106 5.199 -0.032 9.584 890 HE2 TYR 106 2HE TYR 106 2.632 -3.387 10.421 891 HH TYR 106 HH TYR 106 3.227 -1.519 11.967 892 H VAL 107 H VAL 107 0.953 -2.492 3.465 893 HA VAL 107 HA VAL 107 -1.110 -2.574 5.608 894 HB VAL 107 HB VAL 107 -1.420 -0.515 4.534 895 HG11 VAL 107 1HG1 VAL 107 -1.041 -1.928 1.904 896 HG12 VAL 107 2HG1 VAL 107 -1.755 -0.301 2.037 897 HG13 VAL 107 3HG1 VAL 107 -0.101 -0.593 2.579 898 HG21 VAL 107 1HG2 VAL 107 -3.510 -1.748 4.873 899 HG22 VAL 107 2HG2 VAL 107 -3.608 -0.705 3.465 900 HG23 VAL 107 3HG2 VAL 107 -3.386 -2.445 3.239 901 H ALA 108 H ALA 108 -2.723 -4.108 5.398 902 HA ALA 108 HA ALA 108 -2.118 -6.339 3.517 903 HB1 ALA 108 1HB ALA 108 -3.299 -6.382 6.326 904 HB2 ALA 108 2HB ALA 108 -3.092 -7.791 5.270 905 HB3 ALA 108 3HB ALA 108 -1.667 -6.925 5.867 906 H TYR 109 H TYR 109 -3.973 -7.296 2.494 907 HA TYR 109 HA TYR 109 -6.560 -5.909 3.021 908 HB2 TYR 109 2HB TYR 109 -6.993 -5.426 0.768 909 HB3 TYR 109 3HB TYR 109 -5.358 -4.863 1.045 910 HD1 TYR 109 1HD TYR 109 -7.465 -7.310 -0.720 911 HD2 TYR 109 2HD TYR 109 -3.417 -6.017 0.023 912 HE1 TYR 109 1HE TYR 109 -6.702 -8.533 -2.742 913 HE2 TYR 109 2HE TYR 109 -2.660 -7.227 -1.986 914 HH TYR 109 HH TYR 109 -4.896 -9.172 -4.030 915 H SER 110 H SER 110 -8.435 -7.014 2.394 916 HA SER 110 HA SER 110 -8.199 -9.793 1.495 917 HB2 SER 110 1HB SER 110 -9.380 -10.687 3.375 918 HB3 SER 110 2HB SER 110 -7.986 -9.819 4.011 919 HG SER 110 HG SER 110 -10.109 -9.564 5.015 920 H GLY 111 H GLY 111 -10.530 -10.639 1.233 921 HA2 GLY 111 1HA GLY 111 -12.280 -8.419 0.238 922 HA3 GLY 111 2HA GLY 111 -12.129 -9.971 -0.578 923 H GLU 112 H GLU 112 -12.193 -10.049 2.992 924 HA GLU 112 HA GLU 112 -15.065 -10.714 2.929 925 HB2 GLU 112 1HB GLU 112 -13.108 -12.461 4.406 926 HB3 GLU 112 2HB GLU 112 -14.741 -12.819 3.857 927 HG2 GLU 112 1HG GLU 112 -13.791 -12.728 1.459 928 HG3 GLU 112 2HG GLU 112 -12.185 -12.652 2.177 929 H ASN 113 H ASN 113 -16.053 -9.937 4.669 930 HA ASN 113 HA ASN 113 -14.754 -8.068 6.375 931 HB2 ASN 113 1HB ASN 113 -16.896 -7.589 7.254 932 HB3 ASN 113 2HB ASN 113 -17.135 -7.961 5.541 933 HD21 ASN 113 1HD2 ASN 113 -18.685 -10.457 8.413 934 HD22 ASN 113 2HD2 ASN 113 -17.711 -9.071 8.875 935 H THR 114 H THR 114 -14.747 -11.459 6.907 936 HA THR 114 HA THR 114 -14.232 -10.968 9.790 937 HB THR 114 HB THR 114 -15.211 -13.478 9.883 938 HG1 THR 114 1HG THR 114 -17.140 -13.536 8.708 939 HG21 THR 114 1HG2 THR 114 -15.827 -11.659 11.394 940 HG22 THR 114 2HG2 THR 114 -17.285 -12.484 10.824 941 HG23 THR 114 3HG2 THR 114 -16.830 -10.911 10.137 942 H PHE 115 H PHE 115 -12.174 -11.170 9.908 943 HA PHE 115 HA PHE 115 -10.691 -13.211 8.352 944 HB2 PHE 115 2HB PHE 115 -8.782 -11.726 8.687 945 HB3 PHE 115 3HB PHE 115 -10.099 -10.920 7.885 946 HD1 PHE 115 1HD PHE 115 -8.185 -11.118 11.077 947 HD2 PHE 115 2HD PHE 115 -11.251 -9.013 8.858 948 HE1 PHE 115 1HE PHE 115 -8.146 -9.300 12.736 949 HE2 PHE 115 2HE PHE 115 -11.190 -7.204 10.529 950 HZ PHE 115 HZ PHE 115 -9.642 -7.336 12.483 951 H GLY 116 H GLY 116 -12.174 -13.632 10.918 952 HA2 GLY 116 1HA GLY 116 -10.988 -13.860 13.292 953 HA3 GLY 116 2HA GLY 116 -11.902 -15.208 12.595 954 H1 GLY 330 H GLY 330 26.925 -2.676 6.395 955 HA2 GLY 330 1HA GLY 330 28.786 -4.222 6.798 956 HA3 GLY 330 2HA GLY 330 27.661 -5.545 6.419 957 H ALA 331 H ALA 331 26.704 -5.592 4.267 958 HA ALA 331 HA ALA 331 27.546 -3.996 2.080 959 HB1 ALA 331 1HB ALA 331 28.877 -5.701 0.885 960 HB2 ALA 331 2HB ALA 331 29.713 -5.180 2.336 961 HB3 ALA 331 3HB ALA 331 28.880 -6.743 2.323 962 H MET 332 H MET 332 25.151 -4.098 1.973 963 HA MET 332 HA MET 332 23.906 -6.748 1.652 964 HB2 MET 332 1HB MET 332 22.849 -3.923 1.902 965 HB3 MET 332 2HB MET 332 21.809 -5.296 1.456 966 HG2 MET 332 1HG MET 332 22.466 -6.546 3.425 967 HG3 MET 332 2HG MET 332 23.608 -5.295 3.909 968 HE1 MET 332 1HE MET 332 21.022 -6.815 5.498 969 HE2 MET 332 2HE MET 332 22.339 -5.907 6.270 970 HE3 MET 332 3HE MET 332 20.651 -5.463 6.590 971 H GLU 333 H GLU 333 25.868 -5.924 -0.239 972 HA GLU 333 HA GLU 333 24.852 -5.270 -2.803 973 HB2 GLU 333 1HB GLU 333 27.153 -5.853 -3.499 974 HB3 GLU 333 2HB GLU 333 27.117 -4.805 -2.088 975 HG2 GLU 333 1HG GLU 333 27.514 -6.818 -0.623 976 HG3 GLU 333 2HG GLU 333 27.685 -7.808 -2.051 977 H ILE 334 H ILE 334 23.071 -7.166 -2.096 978 HA ILE 334 HA ILE 334 23.841 -9.838 -2.970 979 HB ILE 334 HB ILE 334 21.548 -10.441 -2.683 980 HG12 ILE 334 1HG1 ILE 334 19.923 -8.631 -1.722 981 HG13 ILE 334 2HG1 ILE 334 20.911 -7.471 -2.606 982 HG21 ILE 334 1HG2 ILE 334 21.268 -9.980 -0.345 983 HG22 ILE 334 2HG2 ILE 334 22.995 -10.164 -0.687 984 HG23 ILE 334 3HG2 ILE 334 22.300 -8.545 -0.427 985 HD11 ILE 334 1HD1 ILE 334 19.596 -9.932 -3.861 986 HD12 ILE 334 2HD1 ILE 334 18.820 -8.348 -3.778 987 HD13 ILE 334 3HD1 ILE 334 20.294 -8.543 -4.728 988 H ILE 335 H ILE 335 22.776 -10.874 -4.885 989 HA ILE 335 HA ILE 335 22.544 -8.931 -7.150 990 HB ILE 335 HB ILE 335 23.794 -11.704 -7.183 991 HG12 ILE 335 1HG1 ILE 335 24.987 -8.891 -7.283 992 HG13 ILE 335 2HG1 ILE 335 25.245 -10.110 -6.034 993 HG21 ILE 335 1HG2 ILE 335 24.331 -11.224 -9.523 994 HG22 ILE 335 2HG2 ILE 335 22.603 -11.088 -9.307 995 HG23 ILE 335 3HG2 ILE 335 23.587 -9.612 -9.398 996 HD11 ILE 335 1HD1 ILE 335 26.378 -11.563 -7.741 997 HD12 ILE 335 2HD1 ILE 335 26.272 -10.195 -8.871 998 HD13 ILE 335 3HD1 ILE 335 27.204 -10.020 -7.389 999 H HIS 336 H HIS 336 21.690 -12.302 -6.198 1000 HA HIS 336 HA HIS 336 19.401 -12.337 -7.921 1001 HB2 HIS 336 1HB HIS 336 19.797 -14.331 -5.705 1002 HB3 HIS 336 2HB HIS 336 19.160 -14.562 -7.324 1003 HD1 HIS 336 HD1 HIS 336 21.990 -15.515 -5.399 1004 HD2 HIS 336 HD2 HIS 336 21.488 -13.790 -9.218 1005 HE1 HIS 336 HE1 HIS 336 24.184 -15.887 -6.659 1006 H GLU 337 H GLU 337 18.136 -10.519 -7.260 1007 HA GLU 337 HA GLU 337 17.305 -10.276 -4.458 1008 HB2 GLU 337 1HB GLU 337 17.447 -8.290 -6.003 1009 HB3 GLU 337 2HB GLU 337 16.048 -8.922 -6.891 1010 HG2 GLU 337 1HG GLU 337 14.756 -8.920 -4.701 1011 HG3 GLU 337 2HG GLU 337 16.168 -8.228 -3.917 1012 H ASP 338 H ASP 338 16.125 -11.878 -3.684 1013 HA ASP 338 HA ASP 338 14.830 -13.951 -4.952 1014 HB2 ASP 338 1HB ASP 338 15.439 -13.773 -2.554 1015 HB3 ASP 338 2HB ASP 338 14.146 -12.593 -2.309 1016 H ASN 339 H ASN 339 13.574 -10.761 -4.311 1017 HA ASN 339 HA ASN 339 10.849 -11.505 -5.294 1018 HB2 ASN 339 1HB ASN 339 11.833 -9.302 -3.463 1019 HB3 ASN 339 2HB ASN 339 10.180 -9.386 -4.090 1020 HD21 ASN 339 1HD2 ASN 339 11.240 -11.885 -1.012 1021 HD22 ASN 339 2HD2 ASN 339 12.498 -11.012 -1.849 1022 H GLU 340 H GLU 340 9.745 -9.811 -6.547 1023 HA GLU 340 HA GLU 340 11.553 -8.608 -8.510 1024 HB2 GLU 340 1HB GLU 340 8.518 -8.717 -8.328 1025 HB3 GLU 340 2HB GLU 340 9.441 -7.919 -9.603 1026 HG2 GLU 340 1HG GLU 340 10.679 -10.342 -9.676 1027 HG3 GLU 340 2HG GLU 340 9.098 -10.852 -9.056 1028 H TRP 341 H TRP 341 8.925 -7.329 -6.389 1029 HA TRP 341 HA TRP 341 8.457 -5.264 -5.636 1030 HB2 TRP 341 2HB TRP 341 11.429 -5.290 -5.078 1031 HB3 TRP 341 3HB TRP 341 10.268 -4.176 -4.367 1032 HD1 TRP 341 HD1 TRP 341 12.132 -6.849 -3.265 1033 HE1 TRP 341 1HE TRP 341 11.099 -8.101 -1.302 1034 HE3 TRP 341 3HE TRP 341 7.357 -5.063 -3.680 1035 HZ2 TRP 341 2HZ TRP 341 8.331 -8.671 -0.401 1036 HZ3 TRP 341 3HZ TRP 341 5.570 -5.898 -2.201 1037 HH2 TRP 341 HH2 TRP 341 6.032 -7.725 -0.568 1038 H GLY 342 H GLY 342 8.204 -4.995 -8.238 1039 HA2 GLY 342 1HA GLY 342 10.001 -2.924 -9.268 1040 HA3 GLY 342 2HA GLY 342 8.561 -3.557 -10.055 1041 H ILE 343 H ILE 343 9.782 -0.759 -8.977 1042 HA ILE 343 HA ILE 343 7.645 0.322 -7.391 1043 HB ILE 343 HB ILE 343 9.741 1.750 -9.059 1044 HG12 ILE 343 1HG1 ILE 343 9.850 1.254 -6.046 1045 HG13 ILE 343 2HG1 ILE 343 10.631 0.198 -7.207 1046 HG21 ILE 343 1HG2 ILE 343 8.019 2.706 -6.719 1047 HG22 ILE 343 2HG2 ILE 343 9.305 3.662 -7.473 1048 HG23 ILE 343 3HG2 ILE 343 7.855 3.246 -8.395 1049 HD11 ILE 343 1HD1 ILE 343 12.313 1.661 -6.462 1050 HD12 ILE 343 2HD1 ILE 343 11.909 2.185 -8.102 1051 HD13 ILE 343 3HD1 ILE 343 11.316 3.101 -6.696 1052 H GLU 344 H GLU 344 5.774 1.404 -7.987 1053 HA GLU 344 HA GLU 344 5.314 1.944 -10.892 1054 HB2 GLU 344 1HB GLU 344 4.460 -0.306 -10.321 1055 HB3 GLU 344 2HB GLU 344 3.425 0.406 -9.065 1056 HG2 GLU 344 1HG GLU 344 2.202 1.688 -10.741 1057 HG3 GLU 344 2HG GLU 344 3.370 1.225 -11.991 1058 H LEU 345 H LEU 345 4.044 3.738 -11.367 1059 HA LEU 345 HA LEU 345 3.381 5.577 -9.149 1060 HB2 LEU 345 1HB LEU 345 3.405 5.840 -12.195 1061 HB3 LEU 345 2HB LEU 345 2.828 7.111 -11.127 1062 HG LEU 345 HG LEU 345 5.656 5.976 -10.962 1063 HD11 LEU 345 1HD1 LEU 345 6.369 7.970 -12.210 1064 HD12 LEU 345 2HD1 LEU 345 4.677 8.461 -12.428 1065 HD13 LEU 345 3HD1 LEU 345 5.282 6.985 -13.189 1066 HD21 LEU 345 1HD2 LEU 345 6.122 8.052 -9.746 1067 HD22 LEU 345 2HD2 LEU 345 4.822 7.184 -8.937 1068 HD23 LEU 345 3HD2 LEU 345 4.440 8.590 -9.963 1069 H VAL 346 H VAL 346 1.412 5.251 -8.217 1070 HA VAL 346 HA VAL 346 -0.860 4.473 -9.982 1071 HB VAL 346 HB VAL 346 -0.273 3.632 -7.140 1072 HG11 VAL 346 1HG1 VAL 346 -2.651 3.657 -7.495 1073 HG12 VAL 346 2HG1 VAL 346 -2.484 2.837 -9.077 1074 HG13 VAL 346 3HG1 VAL 346 -2.093 1.978 -7.571 1075 HG21 VAL 346 1HG2 VAL 346 -0.016 1.320 -8.297 1076 HG22 VAL 346 2HG2 VAL 346 0.033 2.190 -9.824 1077 HG23 VAL 346 3HG2 VAL 346 1.285 2.451 -8.589 1078 H SER 347 H SER 347 -2.155 6.155 -10.227 1079 HA SER 347 HA SER 347 -3.248 7.577 -7.925 1080 HB2 SER 347 1HB SER 347 -2.533 9.822 -9.153 1081 HB3 SER 347 2HB SER 347 -1.465 9.000 -8.029 1082 HG SER 347 HG SER 347 -1.155 8.032 -10.545 1083 H GLU 348 H GLU 348 -4.917 8.996 -8.458 1084 HA GLU 348 HA GLU 348 -6.655 9.896 -9.399 1085 HB2 GLU 348 1HB GLU 348 -5.095 10.376 -11.312 1086 HB3 GLU 348 2HB GLU 348 -5.791 8.998 -12.161 1087 HG2 GLU 348 1HG GLU 348 -8.000 10.011 -12.152 1088 HG3 GLU 348 2HG GLU 348 -7.481 11.267 -11.011 Start of MODEL 14 1 H1 MET 1 H MET 1 1.065 -15.888 8.465 2 HA MET 1 HA MET 1 0.851 -13.068 7.609 3 HB2 MET 1 1HB MET 1 0.040 -14.362 10.116 4 HB3 MET 1 2HB MET 1 1.246 -13.096 10.392 5 HG2 MET 1 1HG MET 1 -0.916 -12.129 10.542 6 HG3 MET 1 2HG MET 1 -0.084 -11.481 9.136 7 HE1 MET 1 1HE MET 1 -2.367 -10.430 8.405 8 HE2 MET 1 2HE MET 1 -3.884 -11.349 8.264 9 HE3 MET 1 3HE MET 1 -3.116 -11.151 9.846 10 H GLY 2 H GLY 2 2.735 -12.143 7.182 11 HA2 GLY 2 1HA GLY 2 4.993 -12.037 8.724 12 HA3 GLY 2 2HA GLY 2 5.278 -13.358 7.568 13 H TRP 3 H TRP 3 6.786 -10.911 7.458 14 HA TRP 3 HA TRP 3 5.663 -9.477 5.117 15 HB2 TRP 3 2HB TRP 3 7.635 -8.630 7.247 16 HB3 TRP 3 3HB TRP 3 7.353 -7.727 5.763 17 HD1 TRP 3 HD1 TRP 3 6.478 -7.407 9.127 18 HE1 TRP 3 1HE TRP 3 4.315 -6.057 9.491 19 HE3 TRP 3 3HE TRP 3 4.440 -7.931 4.489 20 HZ2 TRP 3 2HZ TRP 3 1.978 -5.348 7.937 21 HZ3 TRP 3 3HZ TRP 3 2.289 -6.906 3.922 22 HH2 TRP 3 HH2 TRP 3 1.035 -5.590 5.630 23 H MET 4 H MET 4 6.413 -10.125 3.216 24 HA MET 4 HA MET 4 8.671 -11.809 2.884 25 HB2 MET 4 1HB MET 4 6.701 -10.560 1.134 26 HB3 MET 4 2HB MET 4 8.309 -10.257 0.479 27 HG2 MET 4 1HG MET 4 7.648 -12.245 -0.510 28 HG3 MET 4 2HG MET 4 8.814 -12.707 0.737 29 HE1 MET 4 1HE MET 4 8.218 -15.140 0.882 30 HE2 MET 4 2HE MET 4 6.569 -15.797 0.813 31 HE3 MET 4 3HE MET 4 7.211 -14.865 -0.558 32 H PHE 5 H PHE 5 8.355 -8.246 2.502 33 HA PHE 5 HA PHE 5 11.035 -7.821 1.625 34 HB2 PHE 5 2HB PHE 5 10.714 -5.483 2.364 35 HB3 PHE 5 3HB PHE 5 9.472 -6.079 1.284 36 HD1 PHE 5 1HD PHE 5 10.186 -5.068 4.816 37 HD2 PHE 5 2HD PHE 5 7.174 -6.128 1.921 38 HE1 PHE 5 1HE PHE 5 8.434 -4.361 6.396 39 HE2 PHE 5 2HE PHE 5 5.396 -5.393 3.518 40 HZ PHE 5 HZ PHE 5 6.026 -4.556 5.766 41 H LYS 6 H LYS 6 9.670 -7.748 4.943 42 HA LYS 6 HA LYS 6 12.132 -7.060 6.151 43 HB2 LYS 6 1HB LYS 6 9.652 -6.969 7.017 44 HB3 LYS 6 2HB LYS 6 9.956 -8.595 7.616 45 HG2 LYS 6 1HG LYS 6 11.966 -6.422 8.242 46 HG3 LYS 6 2HG LYS 6 10.393 -6.330 9.037 47 HD2 LYS 6 1HD LYS 6 10.677 -8.327 10.211 48 HD3 LYS 6 2HD LYS 6 11.966 -8.903 9.135 49 HE2 LYS 6 1HE LYS 6 13.450 -7.093 9.953 50 HE3 LYS 6 2HE LYS 6 12.168 -6.516 11.032 51 HZ1 LYS 6 1HZ LYS 6 13.846 -7.945 12.081 52 HZ2 LYS 6 2HZ LYS 6 13.375 -9.211 11.161 53 HZ3 LYS 6 3HZ LYS 6 12.322 -8.537 12.259 54 H GLU 7 H GLU 7 10.836 -10.291 5.340 55 HA GLU 7 HA GLU 7 12.874 -11.657 6.880 56 HB2 GLU 7 1HB GLU 7 10.907 -12.515 4.704 57 HB3 GLU 7 2HB GLU 7 12.050 -13.630 5.494 58 HG2 GLU 7 1HG GLU 7 11.236 -12.882 7.685 59 HG3 GLU 7 2HG GLU 7 9.995 -11.897 6.959 60 H ASP 8 H ASP 8 12.520 -10.716 3.584 61 HA ASP 8 HA ASP 8 15.030 -11.899 2.604 62 HB2 ASP 8 1HB ASP 8 12.954 -10.034 1.480 63 HB3 ASP 8 2HB ASP 8 14.483 -10.071 0.666 64 H HIS 9 H HIS 9 14.187 -8.362 2.479 65 HA HIS 9 HA HIS 9 16.472 -7.534 3.968 66 HB2 HIS 9 1HB HIS 9 17.610 -6.307 2.169 67 HB3 HIS 9 2HB HIS 9 17.703 -8.044 1.942 68 HD1 HIS 9 HD1 HIS 9 14.869 -8.396 0.446 69 HD2 HIS 9 HD2 HIS 9 17.891 -5.598 -0.369 70 HE1 HIS 9 HE1 HIS 9 14.520 -7.729 -1.939 71 H SER 10 H SER 10 15.570 -5.780 5.046 72 HA SER 10 HA SER 10 13.420 -4.279 3.640 73 HB2 SER 10 1HB SER 10 13.114 -3.486 6.136 74 HB3 SER 10 2HB SER 10 12.434 -5.022 5.587 75 HG SER 10 HG SER 10 13.703 -4.984 7.624 76 H LEU 11 H LEU 11 15.726 -3.550 6.155 77 HA LEU 11 HA LEU 11 15.898 -0.903 6.049 78 HB2 LEU 11 1HB LEU 11 18.202 -1.154 6.908 79 HB3 LEU 11 2HB LEU 11 17.002 -2.123 7.722 80 HG LEU 11 HG LEU 11 18.395 -3.590 5.526 81 HD11 LEU 11 1HD1 LEU 11 20.490 -3.879 6.739 82 HD12 LEU 11 2HD1 LEU 11 19.942 -2.691 7.965 83 HD13 LEU 11 3HD1 LEU 11 20.249 -2.186 6.294 84 HD21 LEU 11 1HD2 LEU 11 16.879 -4.691 7.145 85 HD22 LEU 11 2HD2 LEU 11 17.980 -4.235 8.455 86 HD23 LEU 11 3HD2 LEU 11 18.524 -5.335 7.186 87 H GLU 12 H GLU 12 18.284 -2.784 4.018 88 HA GLU 12 HA GLU 12 19.259 -0.298 2.900 89 HB2 GLU 12 1HB GLU 12 19.736 -3.194 2.106 90 HB3 GLU 12 2HB GLU 12 20.341 -1.818 1.150 91 HG2 GLU 12 1HG GLU 12 21.415 -0.882 3.212 92 HG3 GLU 12 2HG GLU 12 20.929 -2.330 4.093 93 H HIS 13 H HIS 13 16.769 -2.593 1.937 94 HA HIS 13 HA HIS 13 16.330 -1.587 -0.672 95 HB2 HIS 13 1HB HIS 13 15.514 -3.768 0.484 96 HB3 HIS 13 2HB HIS 13 14.158 -2.801 1.058 97 HD1 HIS 13 HD1 HIS 13 15.109 -4.916 -1.779 98 HD2 HIS 13 HD2 HIS 13 12.857 -1.400 -1.163 99 HE1 HIS 13 HE1 HIS 13 13.552 -4.709 -3.775 100 H ARG 14 H ARG 14 14.630 -0.852 2.409 101 HA ARG 14 HA ARG 14 12.952 1.235 1.411 102 HB2 ARG 14 1HB ARG 14 13.780 0.181 4.085 103 HB3 ARG 14 2HB ARG 14 13.267 1.857 4.065 104 HG2 ARG 14 1HG ARG 14 11.392 0.330 4.562 105 HG3 ARG 14 2HG ARG 14 11.094 1.307 3.125 106 HD2 ARG 14 1HD ARG 14 12.341 -1.409 2.852 107 HD3 ARG 14 2HD ARG 14 10.691 -1.340 3.459 108 HE ARG 14 HE ARG 14 10.626 0.304 1.205 109 HH11 ARG 14 1HH1 ARG 14 11.167 -3.002 2.090 110 HH12 ARG 14 2HH1 ARG 14 10.836 -3.675 0.485 111 HH21 ARG 14 1HH2 ARG 14 9.898 -0.485 -0.741 112 HH22 ARG 14 2HH2 ARG 14 9.950 -2.241 -1.088 113 H CYS 15 H CYS 15 16.175 1.409 3.062 114 HA CYS 15 HA CYS 15 16.260 4.216 3.193 115 HB2 CYS 15 2HB CYS 15 18.441 2.109 2.951 116 HB3 CYS 15 3HB CYS 15 18.798 3.841 3.052 117 HG CYS 15 HG CYS 15 17.947 1.719 5.259 118 H VAL 16 H VAL 16 17.497 2.100 0.526 119 HA VAL 16 HA VAL 16 18.222 4.305 -1.156 120 HB VAL 16 HB VAL 16 17.647 1.371 -1.758 121 HG11 VAL 16 1HG1 VAL 16 19.053 1.751 -3.800 122 HG12 VAL 16 2HG1 VAL 16 17.494 2.584 -3.857 123 HG13 VAL 16 3HG1 VAL 16 18.972 3.499 -3.495 124 HG21 VAL 16 1HG2 VAL 16 19.554 1.713 -0.177 125 HG22 VAL 16 2HG2 VAL 16 20.113 1.132 -1.747 126 HG23 VAL 16 3HG2 VAL 16 20.286 2.844 -1.303 127 H GLU 17 H GLU 17 15.260 2.241 -1.030 128 HA GLU 17 HA GLU 17 13.926 3.273 -3.289 129 HB2 GLU 17 1HB GLU 17 13.258 1.237 -2.156 130 HB3 GLU 17 2HB GLU 17 13.085 2.076 -0.636 131 HG2 GLU 17 1HG GLU 17 11.246 3.241 -2.519 132 HG3 GLU 17 2HG GLU 17 11.102 1.509 -2.562 133 H SER 18 H SER 18 13.489 4.293 0.169 134 HA SER 18 HA SER 18 11.722 6.394 -0.527 135 HB2 SER 18 1HB SER 18 13.354 5.690 1.916 136 HB3 SER 18 2HB SER 18 12.426 7.202 1.834 137 HG SER 18 HG SER 18 11.266 4.641 1.204 138 H ALA 19 H ALA 19 15.343 6.471 -0.036 139 HA ALA 19 HA ALA 19 15.687 9.219 -0.317 140 HB1 ALA 19 1HB ALA 19 17.404 6.976 -1.477 141 HB2 ALA 19 2HB ALA 19 17.935 8.641 -1.163 142 HB3 ALA 19 3HB ALA 19 17.484 7.573 0.180 143 H LYS 20 H LYS 20 15.529 6.774 -2.891 144 HA LYS 20 HA LYS 20 15.801 8.475 -5.133 145 HB2 LYS 20 1HB LYS 20 14.402 5.779 -4.809 146 HB3 LYS 20 2HB LYS 20 14.662 6.579 -6.348 147 HG2 LYS 20 1HG LYS 20 17.124 6.242 -4.705 148 HG3 LYS 20 2HG LYS 20 16.363 4.739 -5.197 149 HD2 LYS 20 1HD LYS 20 16.966 6.922 -7.239 150 HD3 LYS 20 2HD LYS 20 18.167 5.758 -6.707 151 HE2 LYS 20 1HE LYS 20 17.354 4.628 -8.521 152 HE3 LYS 20 2HE LYS 20 16.355 3.930 -7.249 153 HZ1 LYS 20 1HZ LYS 20 15.020 4.536 -9.145 154 HZ2 LYS 20 2HZ LYS 20 15.627 6.047 -9.168 155 HZ3 LYS 20 3HZ LYS 20 14.600 5.557 -7.955 156 H ILE 21 H ILE 21 12.798 7.282 -3.494 157 HA ILE 21 HA ILE 21 11.107 8.612 -5.380 158 HB ILE 21 HB ILE 21 10.465 7.855 -2.513 159 HG12 ILE 21 1HG1 ILE 21 9.623 6.248 -4.948 160 HG13 ILE 21 2HG1 ILE 21 11.213 5.974 -4.303 161 HG21 ILE 21 1HG2 ILE 21 8.816 9.444 -3.486 162 HG22 ILE 21 2HG2 ILE 21 8.671 8.454 -4.928 163 HG23 ILE 21 3HG2 ILE 21 8.086 7.854 -3.362 164 HD11 ILE 21 1HD1 ILE 21 10.319 5.463 -2.082 165 HD12 ILE 21 2HD1 ILE 21 8.682 5.822 -2.639 166 HD13 ILE 21 3HD1 ILE 21 9.561 4.440 -3.318 167 H ARG 22 H ARG 22 12.462 9.744 -2.200 168 HA ARG 22 HA ARG 22 10.971 12.191 -2.281 169 HB2 ARG 22 1HB ARG 22 13.739 11.796 -1.065 170 HB3 ARG 22 2HB ARG 22 12.646 13.133 -0.743 171 HG2 ARG 22 1HG ARG 22 12.223 10.234 0.050 172 HG3 ARG 22 2HG ARG 22 12.624 11.556 1.112 173 HD2 ARG 22 1HD ARG 22 10.029 11.314 -0.478 174 HD3 ARG 22 2HD ARG 22 10.273 10.808 1.201 175 HE ARG 22 HE ARG 22 11.098 13.495 0.959 176 HH11 ARG 22 1HH1 ARG 22 8.146 11.487 1.254 177 HH12 ARG 22 2HH1 ARG 22 7.207 12.812 1.902 178 HH21 ARG 22 1HH2 ARG 22 9.742 15.227 1.709 179 HH22 ARG 22 2HH2 ARG 22 8.142 14.828 2.290 180 H ALA 23 H ALA 23 14.063 11.259 -3.797 181 HA ALA 23 HA ALA 23 14.595 13.924 -4.730 182 HB1 ALA 23 1HB ALA 23 16.243 12.835 -6.210 183 HB2 ALA 23 2HB ALA 23 16.357 12.224 -4.548 184 HB3 ALA 23 3HB ALA 23 15.564 11.248 -5.804 185 H LYS 24 H LYS 24 13.039 11.081 -6.322 186 HA LYS 24 HA LYS 24 12.553 12.510 -8.818 187 HB2 LYS 24 1HB LYS 24 12.002 9.733 -7.716 188 HB3 LYS 24 2HB LYS 24 11.127 10.287 -9.132 189 HG2 LYS 24 1HG LYS 24 13.060 9.051 -9.816 190 HG3 LYS 24 2HG LYS 24 13.121 10.735 -10.348 191 HD2 LYS 24 1HD LYS 24 14.791 11.294 -8.686 192 HD3 LYS 24 2HD LYS 24 14.692 9.647 -7.991 193 HE2 LYS 24 1HE LYS 24 15.427 8.685 -10.110 194 HE3 LYS 24 2HE LYS 24 15.440 10.286 -10.880 195 HZ1 LYS 24 1HZ LYS 24 17.118 9.612 -8.550 196 HZ2 LYS 24 2HZ LYS 24 17.206 10.956 -9.485 197 HZ3 LYS 24 3HZ LYS 24 17.652 9.479 -10.082 198 H TYR 25 H TYR 25 10.385 11.388 -6.207 199 HA TYR 25 HA TYR 25 8.192 13.046 -7.299 200 HB2 TYR 25 2HB TYR 25 7.770 10.287 -6.155 201 HB3 TYR 25 3HB TYR 25 6.668 11.282 -7.088 202 HD1 TYR 25 1HD TYR 25 8.771 8.436 -7.160 203 HD2 TYR 25 2HD TYR 25 7.594 11.814 -9.595 204 HE1 TYR 25 1HE TYR 25 9.449 7.212 -9.167 205 HE2 TYR 25 2HE TYR 25 8.293 10.591 -11.617 206 HH TYR 25 HH TYR 25 9.695 8.775 -12.301 207 HA PRO 26 HA PRO 26 9.186 13.807 -2.791 208 HB2 PRO 26 2HB PRO 26 8.640 16.495 -2.783 209 HB3 PRO 26 3HB PRO 26 10.199 15.807 -3.311 210 HG2 PRO 26 2HG PRO 26 7.802 16.602 -5.014 211 HG3 PRO 26 3HG PRO 26 9.507 17.078 -5.253 212 HD2 PRO 26 2HD PRO 26 8.417 15.007 -6.600 213 HD3 PRO 26 3HD PRO 26 10.102 14.873 -5.988 214 H ASP 27 H ASP 27 6.373 14.506 -4.779 215 HA ASP 27 HA ASP 27 4.648 14.816 -2.369 216 HB2 ASP 27 1HB ASP 27 3.898 15.039 -5.301 217 HB3 ASP 27 2HB ASP 27 2.882 15.418 -3.913 218 H ARG 28 H ARG 28 6.004 12.168 -3.570 219 HA ARG 28 HA ARG 28 3.461 10.621 -3.416 220 HB2 ARG 28 1HB ARG 28 5.783 9.878 -5.219 221 HB3 ARG 28 2HB ARG 28 4.306 8.952 -4.941 222 HG2 ARG 28 1HG ARG 28 3.013 11.013 -5.779 223 HG3 ARG 28 2HG ARG 28 4.541 11.651 -6.347 224 HD2 ARG 28 1HD ARG 28 4.813 9.757 -7.836 225 HD3 ARG 28 2HD ARG 28 3.428 8.918 -7.132 226 HE ARG 28 HE ARG 28 1.929 10.528 -8.048 227 HH11 ARG 28 1HH1 ARG 28 5.016 10.251 -9.766 228 HH12 ARG 28 2HH1 ARG 28 4.660 11.611 -10.828 229 HH21 ARG 28 1HH2 ARG 28 1.277 11.792 -9.823 230 HH22 ARG 28 2HH2 ARG 28 2.347 12.129 -11.111 231 H VAL 29 H VAL 29 3.596 8.582 -2.411 232 HA VAL 29 HA VAL 29 5.954 8.319 -0.638 233 HB VAL 29 HB VAL 29 4.178 7.676 1.142 234 HG11 VAL 29 1HG1 VAL 29 4.123 10.527 0.049 235 HG12 VAL 29 2HG1 VAL 29 3.785 9.999 1.688 236 HG13 VAL 29 3HG1 VAL 29 5.422 9.847 1.059 237 HG21 VAL 29 1HG2 VAL 29 2.236 9.064 -0.710 238 HG22 VAL 29 2HG2 VAL 29 2.345 7.292 -0.526 239 HG23 VAL 29 3HG2 VAL 29 1.965 8.303 0.852 240 HA PRO 30 HA PRO 30 5.998 4.109 -2.039 241 HB2 PRO 30 2HB PRO 30 7.577 2.978 -0.077 242 HB3 PRO 30 3HB PRO 30 8.210 4.014 -1.365 243 HG2 PRO 30 2HG PRO 30 7.599 4.711 1.494 244 HG3 PRO 30 3HG PRO 30 8.943 5.290 0.474 245 HD2 PRO 30 2HD PRO 30 6.626 6.721 1.016 246 HD3 PRO 30 3HD PRO 30 7.646 6.947 -0.437 247 H VAL 31 H VAL 31 4.377 2.626 -1.880 248 HA VAL 31 HA VAL 31 3.531 1.818 0.822 249 HB VAL 31 HB VAL 31 1.746 2.359 -1.579 250 HG11 VAL 31 1HG1 VAL 31 -0.068 2.091 0.198 251 HG12 VAL 31 2HG1 VAL 31 0.805 0.597 -0.175 252 HG13 VAL 31 3HG1 VAL 31 1.189 1.504 1.298 253 HG21 VAL 31 1HG2 VAL 31 0.794 4.205 -0.162 254 HG22 VAL 31 2HG2 VAL 31 2.146 3.992 0.956 255 HG23 VAL 31 3HG2 VAL 31 2.448 4.502 -0.704 256 H ILE 32 H ILE 32 3.149 -0.300 1.053 257 HA ILE 32 HA ILE 32 3.692 -2.122 -1.251 258 HB ILE 32 HB ILE 32 4.401 -2.472 1.698 259 HG12 ILE 32 1HG1 ILE 32 6.008 -0.985 0.599 260 HG13 ILE 32 2HG1 ILE 32 6.729 -2.528 1.021 261 HG21 ILE 32 1HG2 ILE 32 3.730 -4.617 0.835 262 HG22 ILE 32 2HG2 ILE 32 4.652 -4.383 -0.658 263 HG23 ILE 32 3HG2 ILE 32 5.498 -4.605 0.891 264 HD11 ILE 32 1HD1 ILE 32 7.507 -1.772 -1.165 265 HD12 ILE 32 2HD1 ILE 32 6.590 -3.268 -1.347 266 HD13 ILE 32 3HD1 ILE 32 5.849 -1.709 -1.780 267 H VAL 33 H VAL 33 1.847 -3.090 -1.777 268 HA VAL 33 HA VAL 33 -0.400 -3.281 0.164 269 HB VAL 33 HB VAL 33 -0.219 -3.135 -2.878 270 HG11 VAL 33 1HG1 VAL 33 -2.043 -4.705 -2.281 271 HG12 VAL 33 2HG1 VAL 33 -2.763 -3.463 -1.236 272 HG13 VAL 33 3HG1 VAL 33 -2.652 -3.205 -2.985 273 HG21 VAL 33 1HG2 VAL 33 -1.574 -1.077 -2.587 274 HG22 VAL 33 2HG2 VAL 33 -1.471 -1.272 -0.821 275 HG23 VAL 33 3HG2 VAL 33 -0.006 -0.963 -1.789 276 H GLU 34 H GLU 34 -0.647 -5.355 0.994 277 HA GLU 34 HA GLU 34 0.245 -7.675 -0.682 278 HB2 GLU 34 1HB GLU 34 0.663 -7.041 2.245 279 HB3 GLU 34 2HB GLU 34 0.648 -8.698 1.672 280 HG2 GLU 34 1HG GLU 34 2.428 -6.860 0.099 281 HG3 GLU 34 2HG GLU 34 2.900 -7.117 1.777 282 H LYS 35 H LYS 35 -1.096 -9.513 -0.590 283 HA LYS 35 HA LYS 35 -3.859 -8.956 0.290 284 HB2 LYS 35 1HB LYS 35 -3.322 -9.684 -2.039 285 HB3 LYS 35 2HB LYS 35 -2.741 -11.226 -1.432 286 HG2 LYS 35 1HG LYS 35 -5.489 -10.341 -0.556 287 HG3 LYS 35 2HG LYS 35 -5.312 -10.729 -2.250 288 HD2 LYS 35 1HD LYS 35 -4.164 -12.767 -0.363 289 HD3 LYS 35 2HD LYS 35 -5.916 -12.519 -0.317 290 HE2 LYS 35 1HE LYS 35 -6.320 -13.450 -2.228 291 HE3 LYS 35 2HE LYS 35 -4.962 -12.711 -3.088 292 HZ1 LYS 35 1HZ LYS 35 -4.740 -15.050 -1.270 293 HZ2 LYS 35 2HZ LYS 35 -3.586 -14.543 -2.353 294 HZ3 LYS 35 3HZ LYS 35 -4.986 -15.188 -2.870 295 H VAL 36 H VAL 36 -4.859 -10.117 1.974 296 HA VAL 36 HA VAL 36 -3.092 -11.689 3.680 297 HB VAL 36 HB VAL 36 -6.042 -11.055 4.018 298 HG11 VAL 36 1HG1 VAL 36 -5.604 -11.456 6.407 299 HG12 VAL 36 2HG1 VAL 36 -5.280 -12.908 5.459 300 HG13 VAL 36 3HG1 VAL 36 -3.920 -11.918 6.027 301 HG21 VAL 36 1HG2 VAL 36 -3.594 -9.596 5.117 302 HG22 VAL 36 2HG2 VAL 36 -4.717 -8.946 3.910 303 HG23 VAL 36 3HG2 VAL 36 -5.284 -9.255 5.551 304 H SER 37 H SER 37 -2.979 -13.901 3.809 305 HA SER 37 HA SER 37 -4.130 -15.512 1.762 306 HB2 SER 37 1HB SER 37 -1.988 -15.989 2.885 307 HB3 SER 37 2HB SER 37 -2.877 -16.384 4.368 308 HG SER 37 HG SER 37 -2.479 -17.890 2.099 309 H GLY 38 H GLY 38 -5.659 -17.307 2.070 310 HA2 GLY 38 1HA GLY 38 -7.398 -18.438 3.089 311 HA3 GLY 38 2HA GLY 38 -7.463 -17.259 4.394 312 H SER 39 H SER 39 -7.470 -15.020 2.107 313 HA SER 39 HA SER 39 -10.402 -15.050 1.907 314 HB2 SER 39 1HB SER 39 -9.102 -13.013 2.545 315 HB3 SER 39 2HB SER 39 -8.391 -12.987 0.927 316 HG SER 39 HG SER 39 -11.167 -12.868 1.586 317 H GLN 40 H GLN 40 -11.514 -15.318 -0.100 318 HA GLN 40 HA GLN 40 -10.189 -16.919 -2.102 319 HB2 GLN 40 1HB GLN 40 -12.758 -16.683 -1.162 320 HB3 GLN 40 2HB GLN 40 -12.853 -15.654 -2.571 321 HG2 GLN 40 1HG GLN 40 -13.592 -17.773 -3.287 322 HG3 GLN 40 2HG GLN 40 -11.960 -17.628 -3.943 323 HE21 GLN 40 1HE2 GLN 40 -12.453 -20.108 -0.650 324 HE22 GLN 40 2HE2 GLN 40 -13.373 -18.623 -0.707 325 H ILE 41 H ILE 41 -10.395 -13.538 -1.689 326 HA ILE 41 HA ILE 41 -10.807 -12.609 -4.342 327 HB ILE 41 HB ILE 41 -11.110 -11.321 -2.266 328 HG12 ILE 41 1HG1 ILE 41 -9.035 -9.611 -3.492 329 HG13 ILE 41 2HG1 ILE 41 -10.234 -10.226 -4.633 330 HG21 ILE 41 1HG2 ILE 41 -8.058 -11.164 -2.113 331 HG22 ILE 41 2HG2 ILE 41 -9.209 -10.359 -1.037 332 HG23 ILE 41 3HG2 ILE 41 -9.064 -12.130 -1.042 333 HD11 ILE 41 1HD1 ILE 41 -10.850 -8.684 -2.091 334 HD12 ILE 41 2HD1 ILE 41 -10.906 -8.058 -3.755 335 HD13 ILE 41 3HD1 ILE 41 -12.043 -9.322 -3.257 336 H VAL 42 H VAL 42 -9.242 -11.598 -5.761 337 HA VAL 42 HA VAL 42 -6.992 -13.232 -6.376 338 HB VAL 42 HB VAL 42 -6.555 -11.413 -8.078 339 HG11 VAL 42 1HG1 VAL 42 -8.069 -13.270 -8.617 340 HG12 VAL 42 2HG1 VAL 42 -9.447 -12.371 -7.947 341 HG13 VAL 42 3HG1 VAL 42 -8.604 -11.765 -9.386 342 HG21 VAL 42 1HG2 VAL 42 -8.217 -9.593 -8.321 343 HG22 VAL 42 2HG2 VAL 42 -8.985 -10.053 -6.808 344 HG23 VAL 42 3HG2 VAL 42 -7.313 -9.472 -6.802 345 H ASP 43 H ASP 43 -4.704 -12.593 -6.464 346 HA ASP 43 HA ASP 43 -3.881 -10.955 -4.215 347 HB2 ASP 43 1HB ASP 43 -2.054 -12.317 -4.110 348 HB3 ASP 43 2HB ASP 43 -3.404 -13.382 -4.370 349 H ILE 44 H ILE 44 -1.553 -10.146 -4.481 350 HA ILE 44 HA ILE 44 -1.257 -8.647 -6.999 351 HB ILE 44 HB ILE 44 -2.264 -7.235 -5.258 352 HG12 ILE 44 1HG1 ILE 44 0.627 -6.496 -5.870 353 HG13 ILE 44 2HG1 ILE 44 -0.725 -6.329 -6.985 354 HG21 ILE 44 1HG2 ILE 44 0.278 -7.670 -3.624 355 HG22 ILE 44 2HG2 ILE 44 -1.100 -6.656 -3.204 356 HG23 ILE 44 3HG2 ILE 44 -1.291 -8.407 -3.242 357 HD11 ILE 44 1HD1 ILE 44 -1.808 -4.733 -5.397 358 HD12 ILE 44 2HD1 ILE 44 -0.365 -4.859 -4.355 359 HD13 ILE 44 3HD1 ILE 44 -0.212 -4.203 -5.980 360 H ASP 45 H ASP 45 0.743 -8.563 -7.779 361 HA ASP 45 HA ASP 45 2.720 -10.454 -6.769 362 HB2 ASP 45 1HB ASP 45 2.813 -8.521 -9.111 363 HB3 ASP 45 2HB ASP 45 3.970 -9.818 -8.760 364 H LYS 46 H LYS 46 5.014 -9.740 -6.507 365 HA LYS 46 HA LYS 46 5.070 -7.653 -4.513 366 HB2 LYS 46 1HB LYS 46 7.125 -9.542 -5.685 367 HB3 LYS 46 2HB LYS 46 7.617 -8.214 -4.628 368 HG2 LYS 46 1HG LYS 46 7.363 -9.958 -3.128 369 HG3 LYS 46 2HG LYS 46 5.911 -9.017 -2.947 370 HD2 LYS 46 1HD LYS 46 4.565 -10.607 -4.181 371 HD3 LYS 46 2HD LYS 46 5.998 -11.462 -4.774 372 HE2 LYS 46 1HE LYS 46 6.460 -12.279 -2.483 373 HE3 LYS 46 2HE LYS 46 5.015 -11.425 -1.891 374 HZ1 LYS 46 1HZ LYS 46 4.531 -13.784 -2.365 375 HZ2 LYS 46 2HZ LYS 46 5.024 -13.607 -3.904 376 HZ3 LYS 46 3HZ LYS 46 3.695 -12.822 -3.391 377 H ARG 47 H ARG 47 4.575 -5.707 -5.344 378 HA ARG 47 HA ARG 47 6.621 -4.438 -7.105 379 HB2 ARG 47 1HB ARG 47 3.613 -4.142 -7.222 380 HB3 ARG 47 2HB ARG 47 4.729 -3.076 -8.072 381 HG2 ARG 47 1HG ARG 47 4.776 -6.090 -8.498 382 HG3 ARG 47 2HG ARG 47 3.666 -5.071 -9.350 383 HD2 ARG 47 1HD ARG 47 6.452 -4.085 -9.530 384 HD3 ARG 47 2HD ARG 47 6.227 -5.707 -10.186 385 HE ARG 47 HE ARG 47 4.177 -3.849 -11.035 386 HH11 ARG 47 1HH1 ARG 47 7.326 -5.344 -12.005 387 HH12 ARG 47 2HH1 ARG 47 6.936 -5.230 -13.654 388 HH21 ARG 47 1HH2 ARG 47 3.773 -3.710 -13.182 389 HH22 ARG 47 2HH2 ARG 47 4.972 -4.080 -14.377 390 H LYS 48 H LYS 48 6.642 -2.043 -6.821 391 HA LYS 48 HA LYS 48 6.181 -1.215 -3.984 392 HB2 LYS 48 1HB LYS 48 8.298 -0.329 -5.990 393 HB3 LYS 48 2HB LYS 48 8.002 0.430 -4.430 394 HG2 LYS 48 1HG LYS 48 8.492 -1.881 -3.407 395 HG3 LYS 48 2HG LYS 48 8.983 -2.394 -4.991 396 HD2 LYS 48 1HD LYS 48 10.270 0.149 -4.053 397 HD3 LYS 48 2HD LYS 48 10.688 -1.308 -3.142 398 HE2 LYS 48 1HE LYS 48 11.196 -2.465 -5.234 399 HE3 LYS 48 2HE LYS 48 10.935 -0.993 -6.168 400 HZ1 LYS 48 1HZ LYS 48 13.207 -1.450 -5.821 401 HZ2 LYS 48 2HZ LYS 48 13.045 -1.633 -4.218 402 HZ3 LYS 48 3HZ LYS 48 12.924 -0.119 -4.881 403 H TYR 49 H TYR 49 4.162 -0.223 -4.069 404 HA TYR 49 HA TYR 49 3.500 1.308 -6.530 405 HB2 TYR 49 2HB TYR 49 1.938 0.184 -4.200 406 HB3 TYR 49 3HB TYR 49 1.289 1.398 -5.294 407 HD1 TYR 49 1HD TYR 49 3.370 -0.762 -7.290 408 HD2 TYR 49 2HD TYR 49 -0.471 -0.526 -5.332 409 HE1 TYR 49 1HE TYR 49 2.430 -2.303 -8.952 410 HE2 TYR 49 2HE TYR 49 -1.411 -2.080 -7.010 411 HH TYR 49 HH TYR 49 -0.889 -3.570 -8.884 412 H LEU 50 H LEU 50 3.811 3.427 -6.623 413 HA LEU 50 HA LEU 50 4.161 4.963 -4.111 414 HB2 LEU 50 1HB LEU 50 4.698 5.852 -6.968 415 HB3 LEU 50 2HB LEU 50 5.151 6.662 -5.480 416 HG LEU 50 HG LEU 50 6.330 4.108 -6.639 417 HD11 LEU 50 1HD1 LEU 50 7.064 6.319 -7.533 418 HD12 LEU 50 2HD1 LEU 50 8.370 5.434 -6.722 419 HD13 LEU 50 3HD1 LEU 50 7.539 6.786 -5.901 420 HD21 LEU 50 1HD2 LEU 50 6.200 3.703 -4.260 421 HD22 LEU 50 2HD2 LEU 50 6.864 5.315 -3.918 422 HD23 LEU 50 3HD2 LEU 50 7.858 4.057 -4.718 423 H VAL 51 H VAL 51 2.410 6.176 -3.392 424 HA VAL 51 HA VAL 51 0.301 6.912 -5.374 425 HB VAL 51 HB VAL 51 -1.191 6.895 -3.522 426 HG11 VAL 51 1HG1 VAL 51 0.328 4.261 -3.668 427 HG12 VAL 51 2HG1 VAL 51 -1.358 4.481 -3.156 428 HG13 VAL 51 3HG1 VAL 51 -0.896 4.809 -4.828 429 HG21 VAL 51 1HG2 VAL 51 0.155 7.418 -1.602 430 HG22 VAL 51 2HG2 VAL 51 -0.629 5.865 -1.334 431 HG23 VAL 51 3HG2 VAL 51 1.087 5.919 -1.803 432 HA PRO 52 HA PRO 52 1.590 11.025 -4.345 433 HB2 PRO 52 2HB PRO 52 -0.435 12.546 -5.343 434 HB3 PRO 52 3HB PRO 52 0.699 11.656 -6.408 435 HG2 PRO 52 2HG PRO 52 -2.059 10.894 -5.545 436 HG3 PRO 52 3HG PRO 52 -1.395 10.764 -7.148 437 HD2 PRO 52 2HD PRO 52 -1.518 8.624 -5.373 438 HD3 PRO 52 3HD PRO 52 -0.229 8.768 -6.600 439 H SER 53 H SER 53 1.487 12.276 -2.675 440 HA SER 53 HA SER 53 0.005 11.830 -0.348 441 HB2 SER 53 1HB SER 53 2.242 12.786 -0.433 442 HB3 SER 53 2HB SER 53 1.638 14.126 -1.436 443 HG SER 53 HG SER 53 1.995 14.723 0.731 444 H ASP 54 H ASP 54 -0.852 13.537 -3.192 445 HA ASP 54 HA ASP 54 -2.559 15.537 -2.030 446 HB2 ASP 54 1HB ASP 54 -1.291 15.595 -4.263 447 HB3 ASP 54 2HB ASP 54 -2.554 14.533 -4.903 448 H ILE 55 H ILE 55 -3.161 12.246 -3.362 449 HA ILE 55 HA ILE 55 -6.043 12.760 -3.308 450 HB ILE 55 HB ILE 55 -6.311 10.497 -4.045 451 HG12 ILE 55 1HG1 ILE 55 -3.478 9.787 -4.578 452 HG13 ILE 55 2HG1 ILE 55 -3.805 9.938 -2.873 453 HG21 ILE 55 1HG2 ILE 55 -5.673 12.544 -5.502 454 HG22 ILE 55 2HG2 ILE 55 -4.152 11.717 -5.773 455 HG23 ILE 55 3HG2 ILE 55 -5.722 10.956 -6.223 456 HD11 ILE 55 1HD1 ILE 55 -5.419 8.226 -4.815 457 HD12 ILE 55 2HD1 ILE 55 -4.106 7.649 -3.764 458 HD13 ILE 55 3HD1 ILE 55 -5.588 8.294 -3.044 459 H THR 56 H THR 56 -7.541 11.058 -2.203 460 HA THR 56 HA THR 56 -6.733 10.959 0.630 461 HB THR 56 HB THR 56 -9.248 10.621 0.919 462 HG1 THR 56 1HG THR 56 -10.372 11.487 -1.048 463 HG21 THR 56 1HG2 THR 56 -9.784 12.991 0.564 464 HG22 THR 56 2HG2 THR 56 -8.337 13.172 -0.460 465 HG23 THR 56 3HG2 THR 56 -8.184 12.807 1.268 466 H VAL 57 H VAL 57 -7.596 9.125 1.907 467 HA VAL 57 HA VAL 57 -6.573 6.660 0.986 468 HB VAL 57 HB VAL 57 -8.679 6.660 3.085 469 HG11 VAL 57 1HG1 VAL 57 -7.540 4.547 2.370 470 HG12 VAL 57 2HG1 VAL 57 -5.993 5.253 2.875 471 HG13 VAL 57 3HG1 VAL 57 -7.278 4.958 4.059 472 HG21 VAL 57 1HG2 VAL 57 -7.528 8.566 3.793 473 HG22 VAL 57 2HG2 VAL 57 -6.898 7.248 4.754 474 HG23 VAL 57 3HG2 VAL 57 -5.936 7.899 3.402 475 H ALA 58 H ALA 58 -9.845 8.046 0.657 476 HA ALA 58 HA ALA 58 -11.268 5.721 -0.184 477 HB1 ALA 58 1HB ALA 58 -12.386 7.858 0.414 478 HB2 ALA 58 2HB ALA 58 -11.630 8.658 -0.973 479 HB3 ALA 58 3HB ALA 58 -12.814 7.362 -1.230 480 H GLN 59 H GLN 59 -9.446 8.207 -2.034 481 HA GLN 59 HA GLN 59 -9.965 7.106 -4.632 482 HB2 GLN 59 1HB GLN 59 -7.893 8.994 -3.468 483 HB3 GLN 59 2HB GLN 59 -7.856 8.533 -5.163 484 HG2 GLN 59 1HG GLN 59 -10.494 9.547 -4.131 485 HG3 GLN 59 2HG GLN 59 -9.170 10.703 -4.201 486 HE21 GLN 59 1HE2 GLN 59 -10.582 9.056 -7.761 487 HE22 GLN 59 2HE2 GLN 59 -10.965 8.288 -6.277 488 H PHE 60 H PHE 60 -7.210 6.777 -2.330 489 HA PHE 60 HA PHE 60 -5.604 5.100 -3.929 490 HB2 PHE 60 2HB PHE 60 -4.751 6.136 -1.922 491 HB3 PHE 60 3HB PHE 60 -5.944 5.318 -0.927 492 HD1 PHE 60 1HD PHE 60 -4.336 4.406 0.608 493 HD2 PHE 60 2HD PHE 60 -4.036 3.510 -3.613 494 HE1 PHE 60 1HE PHE 60 -2.785 2.531 1.099 495 HE2 PHE 60 2HE PHE 60 -2.585 1.618 -3.108 496 HZ PHE 60 HZ PHE 60 -1.931 1.114 -0.755 497 H MET 61 H MET 61 -8.106 4.238 -1.529 498 HA MET 61 HA MET 61 -8.010 1.445 -1.837 499 HB2 MET 61 1HB MET 61 -9.135 2.668 -0.001 500 HB3 MET 61 2HB MET 61 -10.327 3.298 -1.141 501 HG2 MET 61 1HG MET 61 -11.040 0.940 -1.620 502 HG3 MET 61 2HG MET 61 -9.863 0.395 -0.419 503 HE1 MET 61 1HE MET 61 -12.318 3.578 -0.212 504 HE2 MET 61 2HE MET 61 -13.148 2.302 -1.149 505 HE3 MET 61 3HE MET 61 -13.736 2.760 0.462 506 H TRP 62 H TRP 62 -9.980 3.880 -3.650 507 HA TRP 62 HA TRP 62 -11.451 1.984 -5.157 508 HB2 TRP 62 2HB TRP 62 -10.962 4.905 -5.312 509 HB3 TRP 62 3HB TRP 62 -11.406 4.105 -6.810 510 HD1 TRP 62 HD1 TRP 62 -12.718 3.971 -3.170 511 HE1 TRP 62 1HE TRP 62 -15.279 3.727 -3.215 512 HE3 TRP 62 3HE TRP 62 -13.426 4.025 -8.231 513 HZ2 TRP 62 2HZ TRP 62 -17.375 3.600 -5.219 514 HZ3 TRP 62 3HZ TRP 62 -15.716 3.839 -9.189 515 HH2 TRP 62 HH2 TRP 62 -17.687 3.633 -7.689 516 H ILE 63 H ILE 63 -8.268 3.513 -5.744 517 HA ILE 63 HA ILE 63 -7.973 2.457 -8.359 518 HB ILE 63 HB ILE 63 -5.848 3.245 -6.323 519 HG12 ILE 63 1HG1 ILE 63 -6.543 4.873 -8.770 520 HG13 ILE 63 2HG1 ILE 63 -7.628 4.994 -7.393 521 HG21 ILE 63 1HG2 ILE 63 -5.667 2.572 -9.293 522 HG22 ILE 63 2HG2 ILE 63 -4.431 3.523 -8.460 523 HG23 ILE 63 3HG2 ILE 63 -4.757 1.853 -7.949 524 HD11 ILE 63 1HD1 ILE 63 -4.636 5.546 -7.330 525 HD12 ILE 63 2HD1 ILE 63 -5.953 6.751 -7.278 526 HD13 ILE 63 3HD1 ILE 63 -5.722 5.632 -5.934 527 H ILE 64 H ILE 64 -6.853 1.088 -5.144 528 HA ILE 64 HA ILE 64 -5.646 -1.213 -6.270 529 HB ILE 64 HB ILE 64 -7.185 -1.088 -3.642 530 HG12 ILE 64 1HG1 ILE 64 -4.166 -0.800 -3.948 531 HG13 ILE 64 2HG1 ILE 64 -5.242 0.593 -3.897 532 HG21 ILE 64 1HG2 ILE 64 -6.737 -3.431 -4.365 533 HG22 ILE 64 2HG2 ILE 64 -5.021 -3.041 -4.577 534 HG23 ILE 64 3HG2 ILE 64 -5.768 -3.038 -2.967 535 HD11 ILE 64 1HD1 ILE 64 -4.396 0.170 -1.655 536 HD12 ILE 64 2HD1 ILE 64 -6.135 -0.126 -1.704 537 HD13 ILE 64 3HD1 ILE 64 -4.977 -1.483 -1.679 538 H ARG 65 H ARG 65 -9.089 -0.899 -5.098 539 HA ARG 65 HA ARG 65 -9.748 -3.497 -6.055 540 HB2 ARG 65 1HB ARG 65 -12.065 -2.911 -5.742 541 HB3 ARG 65 2HB ARG 65 -11.081 -2.315 -4.415 542 HG2 ARG 65 1HG ARG 65 -11.134 -0.080 -5.292 543 HG3 ARG 65 2HG ARG 65 -12.085 -0.556 -6.692 544 HD2 ARG 65 1HD ARG 65 -12.927 -0.769 -3.757 545 HD3 ARG 65 2HD ARG 65 -13.444 0.495 -4.890 546 HE ARG 65 HE ARG 65 -14.032 -2.064 -5.983 547 HH11 ARG 65 1HH1 ARG 65 -15.204 0.077 -3.341 548 HH12 ARG 65 2HH1 ARG 65 -16.856 -0.341 -3.619 549 HH21 ARG 65 1HH2 ARG 65 -16.329 -2.652 -6.217 550 HH22 ARG 65 2HH2 ARG 65 -17.439 -1.993 -5.101 551 H LYS 66 H LYS 66 -9.737 -0.434 -7.871 552 HA LYS 66 HA LYS 66 -11.067 -1.546 -10.180 553 HB2 LYS 66 1HB LYS 66 -9.253 0.845 -9.683 554 HB3 LYS 66 2HB LYS 66 -9.689 0.404 -11.316 555 HG2 LYS 66 1HG LYS 66 -11.856 0.827 -9.221 556 HG3 LYS 66 2HG LYS 66 -11.100 2.172 -10.060 557 HD2 LYS 66 1HD LYS 66 -11.658 0.899 -12.262 558 HD3 LYS 66 2HD LYS 66 -12.772 -0.061 -11.273 559 HE2 LYS 66 1HE LYS 66 -13.953 2.005 -10.593 560 HE3 LYS 66 2HE LYS 66 -12.717 2.991 -11.394 561 HZ1 LYS 66 1HZ LYS 66 -14.659 1.207 -12.739 562 HZ2 LYS 66 2HZ LYS 66 -13.431 1.976 -13.513 563 HZ3 LYS 66 3HZ LYS 66 -14.630 2.838 -12.777 564 H ARG 67 H ARG 67 -7.587 -1.257 -9.250 565 HA ARG 67 HA ARG 67 -6.511 -2.228 -11.685 566 HB2 ARG 67 1HB ARG 67 -5.527 -1.999 -8.817 567 HB3 ARG 67 2HB ARG 67 -4.514 -2.685 -10.074 568 HG2 ARG 67 1HG ARG 67 -5.719 0.106 -10.303 569 HG3 ARG 67 2HG ARG 67 -4.152 -0.227 -9.556 570 HD2 ARG 67 1HD ARG 67 -3.364 -1.279 -11.648 571 HD3 ARG 67 2HD ARG 67 -4.903 -0.910 -12.430 572 HE ARG 67 HE ARG 67 -4.114 1.559 -11.572 573 HH11 ARG 67 1HH1 ARG 67 -2.479 -0.959 -13.527 574 HH12 ARG 67 2HH1 ARG 67 -1.535 0.170 -14.415 575 HH21 ARG 67 1HH2 ARG 67 -2.680 3.007 -12.578 576 HH22 ARG 67 2HH2 ARG 67 -1.428 2.408 -13.625 577 H ILE 68 H ILE 68 -7.270 -3.967 -8.582 578 HA ILE 68 HA ILE 68 -6.516 -6.490 -9.833 579 HB ILE 68 HB ILE 68 -7.039 -7.524 -7.820 580 HG12 ILE 68 1HG1 ILE 68 -8.550 -5.024 -7.001 581 HG13 ILE 68 2HG1 ILE 68 -9.253 -6.598 -7.392 582 HG21 ILE 68 1HG2 ILE 68 -5.618 -6.429 -6.248 583 HG22 ILE 68 2HG2 ILE 68 -5.003 -6.081 -7.862 584 HG23 ILE 68 3HG2 ILE 68 -5.914 -4.841 -6.973 585 HD11 ILE 68 1HD1 ILE 68 -7.647 -5.922 -4.941 586 HD12 ILE 68 2HD1 ILE 68 -9.307 -6.557 -5.104 587 HD13 ILE 68 3HD1 ILE 68 -7.932 -7.598 -5.471 588 H GLN 69 H GLN 69 -9.014 -4.562 -10.435 589 HA GLN 69 HA GLN 69 -11.079 -4.635 -11.197 590 HB2 GLN 69 1HB GLN 69 -10.286 -7.278 -12.455 591 HB3 GLN 69 2HB GLN 69 -11.436 -6.073 -13.043 592 HG2 GLN 69 1HG GLN 69 -9.463 -4.457 -13.218 593 HG3 GLN 69 2HG GLN 69 -8.408 -5.828 -12.902 594 HE21 GLN 69 1HE2 GLN 69 -9.385 -5.083 -16.661 595 HE22 GLN 69 2HE2 GLN 69 -9.314 -3.922 -15.356 596 H LEU 70 H LEU 70 -11.397 -5.031 -8.774 597 HA LEU 70 HA LEU 70 -12.472 -7.439 -7.803 598 HB2 LEU 70 1HB LEU 70 -11.544 -5.700 -6.416 599 HB3 LEU 70 2HB LEU 70 -12.813 -4.577 -6.890 600 HG LEU 70 HG LEU 70 -12.822 -5.820 -4.542 601 HD11 LEU 70 1HD1 LEU 70 -15.234 -5.611 -4.366 602 HD12 LEU 70 2HD1 LEU 70 -15.359 -5.405 -6.110 603 HD13 LEU 70 3HD1 LEU 70 -14.489 -4.200 -5.141 604 HD21 LEU 70 1HD2 LEU 70 -12.788 -8.110 -5.574 605 HD22 LEU 70 2HD2 LEU 70 -14.501 -7.799 -5.996 606 HD23 LEU 70 3HD2 LEU 70 -13.973 -7.777 -4.302 607 HA PRO 71 HA PRO 71 -16.391 -7.056 -10.127 608 HB2 PRO 71 2HB PRO 71 -17.458 -9.479 -9.445 609 HB3 PRO 71 3HB PRO 71 -16.193 -9.275 -10.663 610 HG2 PRO 71 2HG PRO 71 -15.850 -9.968 -7.717 611 HG3 PRO 71 3HG PRO 71 -15.142 -10.837 -9.117 612 HD2 PRO 71 2HD PRO 71 -13.770 -9.033 -7.697 613 HD3 PRO 71 3HD PRO 71 -13.608 -9.076 -9.470 614 H SER 72 H SER 72 -18.718 -7.224 -9.633 615 HA SER 72 HA SER 72 -19.441 -5.850 -7.285 616 HB2 SER 72 1HB SER 72 -21.818 -6.625 -8.192 617 HB3 SER 72 2HB SER 72 -20.840 -5.480 -9.103 618 HG SER 72 HG SER 72 -21.746 -7.805 -9.942 619 H GLU 73 H GLU 73 -19.130 -9.237 -7.841 620 HA GLU 73 HA GLU 73 -20.885 -10.176 -5.796 621 HB2 GLU 73 1HB GLU 73 -19.361 -12.316 -6.084 622 HB3 GLU 73 2HB GLU 73 -20.491 -11.822 -7.343 623 HG2 GLU 73 1HG GLU 73 -18.791 -10.772 -8.622 624 HG3 GLU 73 2HG GLU 73 -17.573 -11.147 -7.384 625 H LYS 74 H LYS 74 -17.336 -9.877 -5.923 626 HA LYS 74 HA LYS 74 -17.078 -10.670 -3.127 627 HB2 LYS 74 1HB LYS 74 -14.946 -9.738 -5.049 628 HB3 LYS 74 2HB LYS 74 -14.662 -10.493 -3.516 629 HG2 LYS 74 1HG LYS 74 -15.903 -11.722 -6.004 630 HG3 LYS 74 2HG LYS 74 -14.304 -12.043 -5.359 631 HD2 LYS 74 1HD LYS 74 -16.943 -12.751 -3.974 632 HD3 LYS 74 2HD LYS 74 -15.926 -13.837 -4.901 633 HE2 LYS 74 1HE LYS 74 -13.999 -13.003 -3.261 634 HE3 LYS 74 2HE LYS 74 -15.357 -12.497 -2.228 635 HZ1 LYS 74 1HZ LYS 74 -14.774 -15.198 -3.209 636 HZ2 LYS 74 2HZ LYS 74 -16.129 -14.858 -2.426 637 HZ3 LYS 74 3HZ LYS 74 -14.680 -14.695 -1.630 638 H ALA 75 H ALA 75 -15.670 -9.472 -1.651 639 HA ALA 75 HA ALA 75 -16.362 -6.587 -1.534 640 HB1 ALA 75 1HB ALA 75 -15.830 -8.643 0.671 641 HB2 ALA 75 2HB ALA 75 -16.137 -6.918 0.930 642 HB3 ALA 75 3HB ALA 75 -17.409 -7.946 0.250 643 H ILE 76 H ILE 76 -14.610 -5.363 -0.314 644 HA ILE 76 HA ILE 76 -11.963 -6.485 -0.239 645 HB ILE 76 HB ILE 76 -11.980 -5.932 -2.559 646 HG12 ILE 76 1HG1 ILE 76 -10.396 -3.648 -1.412 647 HG13 ILE 76 2HG1 ILE 76 -10.035 -5.280 -0.837 648 HG21 ILE 76 1HG2 ILE 76 -12.699 -3.053 -1.915 649 HG22 ILE 76 2HG2 ILE 76 -12.374 -3.769 -3.499 650 HG23 ILE 76 3HG2 ILE 76 -13.803 -4.255 -2.602 651 HD11 ILE 76 1HD1 ILE 76 -8.607 -4.554 -2.721 652 HD12 ILE 76 2HD1 ILE 76 -9.519 -6.042 -3.014 653 HD13 ILE 76 3HD1 ILE 76 -10.041 -4.508 -3.770 654 H PHE 77 H PHE 77 -10.922 -5.592 1.468 655 HA PHE 77 HA PHE 77 -11.709 -2.927 2.508 656 HB2 PHE 77 2HB PHE 77 -11.290 -5.512 4.094 657 HB3 PHE 77 3HB PHE 77 -11.624 -3.940 4.780 658 HD1 PHE 77 1HD PHE 77 -13.014 -7.014 3.500 659 HD2 PHE 77 2HD PHE 77 -13.943 -2.897 4.351 660 HE1 PHE 77 1HE PHE 77 -15.440 -7.572 3.568 661 HE2 PHE 77 2HE PHE 77 -16.364 -3.448 4.398 662 HZ PHE 77 HZ PHE 77 -17.113 -5.790 4.029 663 H LEU 78 H LEU 78 -9.934 -1.930 3.612 664 HA LEU 78 HA LEU 78 -7.258 -3.169 3.195 665 HB2 LEU 78 1HB LEU 78 -7.876 -0.221 3.595 666 HB3 LEU 78 2HB LEU 78 -6.353 -0.964 3.148 667 HG LEU 78 HG LEU 78 -8.815 -0.810 1.460 668 HD11 LEU 78 1HD1 LEU 78 -7.425 0.768 0.095 669 HD12 LEU 78 2HD1 LEU 78 -6.118 0.613 1.278 670 HD13 LEU 78 3HD1 LEU 78 -7.660 1.351 1.754 671 HD21 LEU 78 1HD2 LEU 78 -7.449 -1.664 -0.416 672 HD22 LEU 78 2HD2 LEU 78 -7.609 -2.839 0.880 673 HD23 LEU 78 3HD2 LEU 78 -6.090 -1.928 0.706 674 H PHE 79 H PHE 79 -5.761 -2.747 4.740 675 HA PHE 79 HA PHE 79 -6.545 -1.782 7.448 676 HB2 PHE 79 2HB PHE 79 -5.302 -4.531 6.997 677 HB3 PHE 79 3HB PHE 79 -5.766 -3.817 8.539 678 HD1 PHE 79 1HD PHE 79 -7.001 -5.406 5.424 679 HD2 PHE 79 2HD PHE 79 -8.163 -3.628 9.181 680 HE1 PHE 79 1HE PHE 79 -9.315 -6.220 5.092 681 HE2 PHE 79 2HE PHE 79 -10.467 -4.473 8.862 682 HZ PHE 79 HZ PHE 79 -11.059 -5.748 6.802 683 H VAL 80 H VAL 80 -4.809 -0.828 8.540 684 HA VAL 80 HA VAL 80 -2.065 -1.146 7.456 685 HB VAL 80 HB VAL 80 -3.045 0.863 6.507 686 HG11 VAL 80 1HG1 VAL 80 -3.930 2.682 7.720 687 HG12 VAL 80 2HG1 VAL 80 -4.585 1.313 8.605 688 HG13 VAL 80 3HG1 VAL 80 -3.184 2.170 9.232 689 HG21 VAL 80 1HG2 VAL 80 -0.915 1.414 8.622 690 HG22 VAL 80 2HG2 VAL 80 -0.633 0.776 6.992 691 HG23 VAL 80 3HG2 VAL 80 -1.230 2.424 7.219 692 H ASP 81 H ASP 81 -0.731 -1.779 9.123 693 HA ASP 81 HA ASP 81 -0.248 -2.527 11.210 694 HB2 ASP 81 1HB ASP 81 0.793 -0.302 10.993 695 HB3 ASP 81 2HB ASP 81 -0.573 0.408 11.866 696 H LYS 82 H LYS 82 -2.599 -3.434 10.924 697 HA LYS 82 HA LYS 82 -4.442 -4.278 11.941 698 HB2 LYS 82 1HB LYS 82 -3.477 -3.240 14.617 699 HB3 LYS 82 2HB LYS 82 -4.491 -4.618 14.279 700 HG2 LYS 82 1HG LYS 82 -2.630 -5.798 14.668 701 HG3 LYS 82 2HG LYS 82 -2.247 -5.454 12.982 702 HD2 LYS 82 1HD LYS 82 -0.909 -3.487 13.744 703 HD3 LYS 82 2HD LYS 82 -1.307 -3.827 15.418 704 HE2 LYS 82 1HE LYS 82 -0.054 -5.919 15.312 705 HE3 LYS 82 2HE LYS 82 0.084 -5.766 13.546 706 HZ1 LYS 82 1HZ LYS 82 1.307 -3.656 13.969 707 HZ2 LYS 82 2HZ LYS 82 2.102 -5.052 14.362 708 HZ3 LYS 82 3HZ LYS 82 1.443 -4.105 15.544 709 H THR 83 H THR 83 -4.431 -1.179 11.239 710 HA THR 83 HA THR 83 -6.962 -0.604 12.714 711 HB THR 83 HB THR 83 -6.369 1.735 12.649 712 HG1 THR 83 1HG THR 83 -4.069 0.826 11.265 713 HG21 THR 83 1HG2 THR 83 -3.959 0.264 13.750 714 HG22 THR 83 2HG2 THR 83 -5.533 0.336 14.561 715 HG23 THR 83 3HG2 THR 83 -4.603 1.822 14.264 716 H VAL 84 H VAL 84 -8.399 0.843 11.608 717 HA VAL 84 HA VAL 84 -8.590 0.315 8.702 718 HB VAL 84 HB VAL 84 -10.751 1.037 10.718 719 HG11 VAL 84 1HG1 VAL 84 -11.212 1.704 8.330 720 HG12 VAL 84 2HG1 VAL 84 -11.063 -0.013 7.887 721 HG13 VAL 84 3HG1 VAL 84 -12.342 0.517 8.991 722 HG21 VAL 84 1HG2 VAL 84 -9.935 -1.225 11.212 723 HG22 VAL 84 2HG2 VAL 84 -11.499 -1.333 10.417 724 HG23 VAL 84 3HG2 VAL 84 -10.019 -1.661 9.494 725 HA PRO 85 HA PRO 85 -7.497 4.772 8.987 726 HB2 PRO 85 2HB PRO 85 -6.890 5.214 6.300 727 HB3 PRO 85 3HB PRO 85 -5.763 4.518 7.511 728 HG2 PRO 85 2HG PRO 85 -7.431 3.094 5.442 729 HG3 PRO 85 3HG PRO 85 -5.755 2.752 6.002 730 HD2 PRO 85 2HD PRO 85 -7.975 1.350 6.832 731 HD3 PRO 85 3HD PRO 85 -6.504 1.547 7.807 732 H GLN 86 H GLN 86 -8.511 6.711 8.264 733 HA GLN 86 HA GLN 86 -11.342 6.371 7.617 734 HB2 GLN 86 1HB GLN 86 -10.763 7.950 9.321 735 HB3 GLN 86 2HB GLN 86 -9.688 8.846 8.238 736 HG2 GLN 86 1HG GLN 86 -11.421 9.781 7.008 737 HG3 GLN 86 2HG GLN 86 -12.546 8.472 7.371 738 HE21 GLN 86 1HE2 GLN 86 -13.381 11.674 9.296 739 HE22 GLN 86 2HE2 GLN 86 -12.675 11.573 7.694 740 H SER 87 H SER 87 -12.111 6.312 5.566 741 HA SER 87 HA SER 87 -10.624 6.545 3.258 742 HB2 SER 87 1HB SER 87 -13.572 6.781 3.789 743 HB3 SER 87 2HB SER 87 -12.871 6.755 2.155 744 HG SER 87 HG SER 87 -11.775 4.816 2.758 745 H SER 88 H SER 88 -12.183 9.219 4.977 746 HA SER 88 HA SER 88 -11.829 11.025 2.702 747 HB2 SER 88 1HB SER 88 -13.754 10.948 4.395 748 HB3 SER 88 2HB SER 88 -12.658 11.753 5.525 749 HG SER 88 HG SER 88 -13.250 12.742 2.906 750 H LEU 89 H LEU 89 -9.570 9.933 5.102 751 HA LEU 89 HA LEU 89 -8.260 12.424 5.608 752 HB2 LEU 89 1HB LEU 89 -8.180 10.387 7.048 753 HB3 LEU 89 2HB LEU 89 -7.282 9.549 5.791 754 HG LEU 89 HG LEU 89 -5.396 11.143 6.037 755 HD11 LEU 89 1HD1 LEU 89 -6.489 13.170 6.842 756 HD12 LEU 89 2HD1 LEU 89 -5.397 12.611 8.106 757 HD13 LEU 89 3HD1 LEU 89 -7.128 12.310 8.263 758 HD21 LEU 89 1HD2 LEU 89 -5.486 9.018 7.316 759 HD22 LEU 89 2HD2 LEU 89 -6.289 9.873 8.641 760 HD23 LEU 89 3HD2 LEU 89 -4.627 10.298 8.198 761 H THR 90 H THR 90 -6.140 13.107 4.712 762 HA THR 90 HA THR 90 -5.927 12.472 1.845 763 HB THR 90 HB THR 90 -4.387 14.428 1.837 764 HG1 THR 90 1HG THR 90 -3.696 15.144 3.630 765 HG21 THR 90 1HG2 THR 90 -7.164 14.872 3.052 766 HG22 THR 90 2HG2 THR 90 -6.760 14.748 1.324 767 HG23 THR 90 3HG2 THR 90 -6.186 16.118 2.276 768 H MET 91 H MET 91 -3.945 11.738 0.866 769 HA MET 91 HA MET 91 -2.648 9.756 2.383 770 HB2 MET 91 1HB MET 91 -1.987 11.032 -0.273 771 HB3 MET 91 2HB MET 91 -0.922 9.786 0.408 772 HG2 MET 91 1HG MET 91 -3.871 9.382 -0.244 773 HG3 MET 91 2HG MET 91 -2.533 9.055 -1.324 774 HE1 MET 91 1HE MET 91 -4.112 6.360 1.956 775 HE2 MET 91 2HE MET 91 -3.463 7.900 2.534 776 HE3 MET 91 3HE MET 91 -4.785 7.894 1.347 777 H GLY 92 H GLY 92 -1.403 13.119 1.621 778 HA2 GLY 92 1HA GLY 92 1.087 12.865 2.799 779 HA3 GLY 92 2HA GLY 92 0.095 14.310 2.861 780 H GLN 93 H GLN 93 -1.976 13.626 4.544 781 HA GLN 93 HA GLN 93 -0.802 13.864 7.136 782 HB2 GLN 93 1HB GLN 93 -3.619 13.321 6.084 783 HB3 GLN 93 2HB GLN 93 -3.279 13.441 7.782 784 HG2 GLN 93 1HG GLN 93 -2.869 15.657 5.760 785 HG3 GLN 93 2HG GLN 93 -4.188 15.527 6.900 786 HE21 GLN 93 1HE2 GLN 93 -0.497 16.887 8.130 787 HE22 GLN 93 2HE2 GLN 93 -0.716 16.157 6.562 788 H LEU 94 H LEU 94 -2.532 11.206 5.511 789 HA LEU 94 HA LEU 94 -2.368 9.304 7.587 790 HB2 LEU 94 1HB LEU 94 -3.825 9.089 5.673 791 HB3 LEU 94 2HB LEU 94 -2.482 8.979 4.545 792 HG LEU 94 HG LEU 94 -2.538 7.019 6.820 793 HD11 LEU 94 1HD1 LEU 94 -4.125 5.542 5.776 794 HD12 LEU 94 2HD1 LEU 94 -4.363 6.652 4.421 795 HD13 LEU 94 3HD1 LEU 94 -4.901 7.083 6.068 796 HD21 LEU 94 1HD2 LEU 94 -1.928 6.693 3.826 797 HD22 LEU 94 2HD2 LEU 94 -1.710 5.469 5.087 798 HD23 LEU 94 3HD2 LEU 94 -0.713 6.889 5.113 799 H TYR 95 H TYR 95 -0.093 9.933 4.914 800 HA TYR 95 HA TYR 95 1.792 7.851 5.411 801 HB2 TYR 95 2HB TYR 95 1.994 9.023 3.366 802 HB3 TYR 95 3HB TYR 95 2.008 10.599 4.136 803 HD1 TYR 95 1HD TYR 95 3.938 7.367 4.091 804 HD2 TYR 95 2HD TYR 95 4.077 11.671 4.455 805 HE1 TYR 95 1HE TYR 95 6.419 7.276 4.172 806 HE2 TYR 95 2HE TYR 95 6.545 11.590 4.583 807 HH TYR 95 HH TYR 95 8.423 10.068 4.934 808 H GLU 96 H GLU 96 1.834 11.386 6.385 809 HA GLU 96 HA GLU 96 4.128 11.205 7.963 810 HB2 GLU 96 1HB GLU 96 1.680 13.001 8.129 811 HB3 GLU 96 2HB GLU 96 3.086 13.234 9.180 812 HG2 GLU 96 1HG GLU 96 4.543 13.530 7.241 813 HG3 GLU 96 2HG GLU 96 3.206 13.307 6.128 814 H LYS 97 H LYS 97 0.755 10.596 9.054 815 HA LYS 97 HA LYS 97 1.795 10.081 11.748 816 HB2 LYS 97 1HB LYS 97 -0.390 10.070 12.498 817 HB3 LYS 97 2HB LYS 97 -0.335 11.294 11.247 818 HG2 LYS 97 1HG LYS 97 -2.282 10.268 10.568 819 HG3 LYS 97 2HG LYS 97 -1.137 9.284 9.702 820 HD2 LYS 97 1HD LYS 97 -2.763 7.872 10.736 821 HD3 LYS 97 2HD LYS 97 -1.225 7.617 11.575 822 HE2 LYS 97 1HE LYS 97 -1.989 9.056 13.428 823 HE3 LYS 97 2HE LYS 97 -3.549 9.264 12.601 824 HZ1 LYS 97 1HZ LYS 97 -2.453 6.616 13.295 825 HZ2 LYS 97 2HZ LYS 97 -3.961 6.957 12.784 826 HZ3 LYS 97 3HZ LYS 97 -3.455 7.414 14.298 827 H GLU 98 H GLU 98 1.032 8.017 8.942 828 HA GLU 98 HA GLU 98 1.151 5.649 10.748 829 HB2 GLU 98 1HB GLU 98 0.291 5.785 7.843 830 HB3 GLU 98 2HB GLU 98 0.202 4.388 8.919 831 HG2 GLU 98 1HG GLU 98 -1.324 5.828 10.406 832 HG3 GLU 98 2HG GLU 98 -1.434 6.936 9.064 833 H LYS 99 H LYS 99 3.385 7.474 9.170 834 HA LYS 99 HA LYS 99 4.924 5.825 7.588 835 HB2 LYS 99 1HB LYS 99 5.235 8.316 8.120 836 HB3 LYS 99 2HB LYS 99 5.996 7.833 9.624 837 HG2 LYS 99 1HG LYS 99 7.787 6.739 8.380 838 HG3 LYS 99 2HG LYS 99 6.920 6.942 6.857 839 HD2 LYS 99 1HD LYS 99 8.691 8.569 7.008 840 HD3 LYS 99 2HD LYS 99 7.123 9.398 7.064 841 HE2 LYS 99 1HE LYS 99 7.305 9.784 9.437 842 HE3 LYS 99 2HE LYS 99 8.701 8.703 9.562 843 HZ1 LYS 99 1HZ LYS 99 9.375 11.003 9.536 844 HZ2 LYS 99 2HZ LYS 99 8.716 11.255 8.053 845 HZ3 LYS 99 3HZ LYS 99 9.966 10.225 8.220 846 H ASP 100 H ASP 100 6.170 4.026 7.895 847 HA ASP 100 HA ASP 100 6.403 2.871 10.575 848 HB2 ASP 100 1HB ASP 100 6.184 1.448 8.523 849 HB3 ASP 100 2HB ASP 100 7.720 2.088 7.919 850 H GLU 101 H GLU 101 8.674 2.253 11.397 851 HA GLU 101 HA GLU 101 10.302 4.548 11.724 852 HB2 GLU 101 1HB GLU 101 11.675 3.147 13.024 853 HB3 GLU 101 2HB GLU 101 10.064 2.435 13.192 854 HG2 GLU 101 1HG GLU 101 10.668 0.802 11.353 855 HG3 GLU 101 2HG GLU 101 12.301 1.453 11.349 856 H ASP 102 H ASP 102 10.157 2.179 9.224 857 HA ASP 102 HA ASP 102 12.819 2.714 8.115 858 HB2 ASP 102 1HB ASP 102 11.649 0.402 8.498 859 HB3 ASP 102 2HB ASP 102 10.797 0.764 7.006 860 H GLY 103 H GLY 103 10.392 4.564 8.145 861 HA2 GLY 103 1HA GLY 103 9.579 6.280 6.968 862 HA3 GLY 103 2HA GLY 103 10.881 6.031 5.821 863 H PHE 104 H PHE 104 8.659 3.336 5.943 864 HA PHE 104 HA PHE 104 7.226 4.446 3.573 865 HB2 PHE 104 2HB PHE 104 7.488 2.504 2.365 866 HB3 PHE 104 3HB PHE 104 9.057 2.654 3.131 867 HD1 PHE 104 1HD PHE 104 6.227 0.524 2.550 868 HD2 PHE 104 2HD PHE 104 9.315 1.359 5.449 869 HE1 PHE 104 1HE PHE 104 5.737 -1.603 3.688 870 HE2 PHE 104 2HE PHE 104 8.810 -0.772 6.592 871 HZ PHE 104 HZ PHE 104 6.998 -2.232 5.761 872 H LEU 105 H LEU 105 5.250 2.786 3.053 873 HA LEU 105 HA LEU 105 3.729 2.532 5.612 874 HB2 LEU 105 1HB LEU 105 3.143 4.464 4.074 875 HB3 LEU 105 2HB LEU 105 2.675 3.238 2.886 876 HG LEU 105 HG LEU 105 1.155 2.346 4.883 877 HD11 LEU 105 1HD1 LEU 105 1.463 5.271 5.639 878 HD12 LEU 105 2HD1 LEU 105 2.012 3.875 6.589 879 HD13 LEU 105 3HD1 LEU 105 0.288 4.116 6.301 880 HD21 LEU 105 1HD2 LEU 105 0.357 3.282 2.672 881 HD22 LEU 105 2HD2 LEU 105 0.265 4.876 3.465 882 HD23 LEU 105 3HD2 LEU 105 -0.711 3.541 4.047 883 H TYR 106 H TYR 106 3.067 0.453 6.049 884 HA TYR 106 HA TYR 106 2.979 -1.518 3.812 885 HB2 TYR 106 2HB TYR 106 3.062 -3.238 5.592 886 HB3 TYR 106 3HB TYR 106 4.522 -2.306 5.417 887 HD1 TYR 106 1HD TYR 106 5.387 -0.881 7.214 888 HD2 TYR 106 2HD TYR 106 1.641 -2.983 7.631 889 HE1 TYR 106 1HE TYR 106 5.482 -0.566 9.659 890 HE2 TYR 106 2HE TYR 106 1.712 -2.623 10.082 891 HH TYR 106 HH TYR 106 4.382 -0.857 11.683 892 H VAL 107 H VAL 107 0.953 -1.985 3.055 893 HA VAL 107 HA VAL 107 -1.301 -1.825 5.002 894 HB VAL 107 HB VAL 107 -1.502 -0.977 2.097 895 HG11 VAL 107 1HG1 VAL 107 -3.618 -1.567 3.370 896 HG12 VAL 107 2HG1 VAL 107 -3.192 -0.286 4.515 897 HG13 VAL 107 3HG1 VAL 107 -3.553 0.110 2.818 898 HG21 VAL 107 1HG2 VAL 107 -0.996 0.829 4.497 899 HG22 VAL 107 2HG2 VAL 107 0.066 0.624 3.091 900 HG23 VAL 107 3HG2 VAL 107 -1.513 1.385 2.890 901 H ALA 108 H ALA 108 -2.807 -3.468 4.841 902 HA ALA 108 HA ALA 108 -2.202 -5.661 2.908 903 HB1 ALA 108 1HB ALA 108 -3.014 -7.199 4.620 904 HB2 ALA 108 2HB ALA 108 -1.679 -6.235 5.273 905 HB3 ALA 108 3HB ALA 108 -3.359 -5.848 5.721 906 H TYR 109 H TYR 109 -4.160 -6.842 2.129 907 HA TYR 109 HA TYR 109 -6.725 -5.502 2.642 908 HB2 TYR 109 2HB TYR 109 -7.274 -5.027 0.441 909 HB3 TYR 109 3HB TYR 109 -5.636 -4.419 0.569 910 HD1 TYR 109 1HD TYR 109 -7.896 -6.832 -1.034 911 HD2 TYR 109 2HD TYR 109 -3.766 -5.678 -0.567 912 HE1 TYR 109 1HE TYR 109 -7.298 -8.202 -3.011 913 HE2 TYR 109 2HE TYR 109 -3.182 -7.017 -2.567 914 HH TYR 109 HH TYR 109 -5.498 -9.123 -4.261 915 H SER 110 H SER 110 -8.570 -6.768 1.919 916 HA SER 110 HA SER 110 -8.206 -9.398 0.853 917 HB2 SER 110 1HB SER 110 -9.351 -10.348 3.139 918 HB3 SER 110 2HB SER 110 -7.642 -10.448 2.749 919 HG SER 110 HG SER 110 -7.237 -8.671 3.986 920 H GLY 111 H GLY 111 -10.406 -10.585 0.977 921 HA2 GLY 111 1HA GLY 111 -12.630 -8.632 0.688 922 HA3 GLY 111 2HA GLY 111 -12.411 -10.102 -0.284 923 H GLU 112 H GLU 112 -11.756 -9.922 3.233 924 HA GLU 112 HA GLU 112 -14.138 -11.602 3.768 925 HB2 GLU 112 1HB GLU 112 -11.276 -12.077 4.601 926 HB3 GLU 112 2HB GLU 112 -12.614 -12.692 5.576 927 HG2 GLU 112 1HG GLU 112 -12.379 -13.292 2.604 928 HG3 GLU 112 2HG GLU 112 -11.617 -14.279 3.843 929 H ASN 113 H ASN 113 -15.474 -10.646 5.015 930 HA ASN 113 HA ASN 113 -14.925 -8.251 6.406 931 HB2 ASN 113 1HB ASN 113 -17.160 -8.370 7.215 932 HB3 ASN 113 2HB ASN 113 -17.144 -8.854 5.530 933 HD21 ASN 113 1HD2 ASN 113 -18.937 -11.268 8.138 934 HD22 ASN 113 2HD2 ASN 113 -18.465 -9.648 8.551 935 H THR 114 H THR 114 -14.163 -11.469 7.523 936 HA THR 114 HA THR 114 -13.562 -10.376 10.171 937 HB THR 114 HB THR 114 -14.389 -12.811 10.907 938 HG1 THR 114 1HG THR 114 -15.267 -13.472 8.939 939 HG21 THR 114 1HG2 THR 114 -16.401 -11.793 11.763 940 HG22 THR 114 2HG2 THR 114 -16.331 -10.486 10.555 941 HG23 THR 114 3HG2 THR 114 -15.108 -10.603 11.842 942 H PHE 115 H PHE 115 -11.688 -11.269 11.047 943 HA PHE 115 HA PHE 115 -10.010 -12.770 9.137 944 HB2 PHE 115 2HB PHE 115 -9.371 -11.450 11.800 945 HB3 PHE 115 3HB PHE 115 -8.197 -12.213 10.728 946 HD1 PHE 115 1HD PHE 115 -9.460 -9.107 11.669 947 HD2 PHE 115 2HD PHE 115 -8.406 -11.366 8.133 948 HE1 PHE 115 1HE PHE 115 -9.055 -6.995 10.434 949 HE2 PHE 115 2HE PHE 115 -8.009 -9.250 6.906 950 HZ PHE 115 HZ PHE 115 -8.314 -7.078 8.071 951 H GLY 116 H GLY 116 -11.937 -14.495 9.844 952 HA2 GLY 116 1HA GLY 116 -10.509 -16.579 11.222 953 HA3 GLY 116 2HA GLY 116 -11.948 -15.998 12.091 954 H1 GLY 330 H GLY 330 29.205 -5.811 -0.607 955 HA2 GLY 330 1HA GLY 330 26.785 -5.868 -1.111 956 HA3 GLY 330 2HA GLY 330 26.977 -4.216 -1.748 957 H ALA 331 H ALA 331 26.690 -7.314 -2.655 958 HA ALA 331 HA ALA 331 27.789 -6.894 -5.330 959 HB1 ALA 331 1HB ALA 331 29.121 -8.979 -5.322 960 HB2 ALA 331 2HB ALA 331 29.765 -7.815 -4.150 961 HB3 ALA 331 3HB ALA 331 28.789 -9.201 -3.590 962 H MET 332 H MET 332 25.466 -8.199 -3.165 963 HA MET 332 HA MET 332 24.625 -10.426 -4.776 964 HB2 MET 332 1HB MET 332 24.524 -10.181 -2.261 965 HB3 MET 332 2HB MET 332 23.164 -9.076 -2.474 966 HG2 MET 332 1HG MET 332 21.794 -10.825 -3.377 967 HG3 MET 332 2HG MET 332 23.199 -11.843 -3.726 968 HE1 MET 332 1HE MET 332 21.410 -11.209 0.513 969 HE2 MET 332 2HE MET 332 22.316 -9.911 -0.296 970 HE3 MET 332 3HE MET 332 20.764 -10.473 -0.968 971 H GLU 333 H GLU 333 24.724 -7.917 -6.225 972 HA GLU 333 HA GLU 333 22.027 -6.910 -6.729 973 HB2 GLU 333 1HB GLU 333 24.687 -6.516 -8.189 974 HB3 GLU 333 2HB GLU 333 23.163 -5.702 -8.576 975 HG2 GLU 333 1HG GLU 333 23.243 -4.965 -6.034 976 HG3 GLU 333 2HG GLU 333 24.960 -5.342 -6.171 977 H ILE 334 H ILE 334 21.679 -9.495 -6.885 978 HA ILE 334 HA ILE 334 22.200 -10.684 -9.496 979 HB ILE 334 HB ILE 334 21.031 -12.609 -8.583 980 HG12 ILE 334 1HG1 ILE 334 20.516 -11.032 -6.026 981 HG13 ILE 334 2HG1 ILE 334 19.298 -11.364 -7.261 982 HG21 ILE 334 1HG2 ILE 334 22.958 -11.535 -6.486 983 HG22 ILE 334 2HG2 ILE 334 22.642 -13.228 -6.896 984 HG23 ILE 334 3HG2 ILE 334 23.448 -12.177 -8.062 985 HD11 ILE 334 1HD1 ILE 334 19.623 -13.801 -6.955 986 HD12 ILE 334 2HD1 ILE 334 20.754 -13.449 -5.621 987 HD13 ILE 334 3HD1 ILE 334 19.055 -12.956 -5.503 988 H ILE 335 H ILE 335 20.477 -11.682 -10.694 989 HA ILE 335 HA ILE 335 18.183 -9.867 -11.110 990 HB ILE 335 HB ILE 335 19.722 -11.887 -12.795 991 HG12 ILE 335 1HG1 ILE 335 19.105 -8.917 -12.961 992 HG13 ILE 335 2HG1 ILE 335 20.648 -9.621 -12.526 993 HG21 ILE 335 1HG2 ILE 335 18.089 -11.390 -14.646 994 HG22 ILE 335 2HG2 ILE 335 17.401 -12.328 -13.337 995 HG23 ILE 335 3HG2 ILE 335 17.056 -10.598 -13.435 996 HD11 ILE 335 1HD1 ILE 335 19.362 -9.714 -15.271 997 HD12 ILE 335 2HD1 ILE 335 20.750 -8.766 -14.757 998 HD13 ILE 335 3HD1 ILE 335 20.881 -10.540 -14.814 999 H HIS 336 H HIS 336 19.052 -13.204 -10.313 1000 HA HIS 336 HA HIS 336 16.320 -14.099 -10.419 1001 HB2 HIS 336 1HB HIS 336 18.775 -15.331 -10.708 1002 HB3 HIS 336 2HB HIS 336 18.292 -15.914 -9.138 1003 HD1 HIS 336 HD1 HIS 336 15.260 -15.483 -11.412 1004 HD2 HIS 336 HD2 HIS 336 18.347 -18.283 -10.686 1005 HE1 HIS 336 HE1 HIS 336 14.541 -17.631 -12.506 1006 H GLU 337 H GLU 337 16.185 -12.007 -8.788 1007 HA GLU 337 HA GLU 337 16.409 -12.724 -5.952 1008 HB2 GLU 337 1HB GLU 337 14.935 -10.491 -7.432 1009 HB3 GLU 337 2HB GLU 337 14.870 -10.726 -5.680 1010 HG2 GLU 337 1HG GLU 337 17.431 -10.599 -5.676 1011 HG3 GLU 337 2HG GLU 337 17.296 -10.020 -7.355 1012 H ASP 338 H ASP 338 14.512 -13.202 -4.574 1013 HA ASP 338 HA ASP 338 12.586 -14.939 -5.944 1014 HB2 ASP 338 1HB ASP 338 12.731 -13.954 -3.057 1015 HB3 ASP 338 2HB ASP 338 11.513 -15.069 -3.669 1016 H ASN 339 H ASN 339 12.577 -11.837 -4.224 1017 HA ASN 339 HA ASN 339 9.847 -11.215 -5.226 1018 HB2 ASN 339 1HB ASN 339 11.384 -10.245 -2.799 1019 HB3 ASN 339 2HB ASN 339 9.793 -9.651 -3.306 1020 HD21 ASN 339 1HD2 ASN 339 9.973 -13.274 -1.447 1021 HD22 ASN 339 2HD2 ASN 339 11.371 -12.221 -1.466 1022 H GLU 340 H GLU 340 9.904 -10.105 -7.028 1023 HA GLU 340 HA GLU 340 12.033 -8.629 -8.073 1024 HB2 GLU 340 1HB GLU 340 9.031 -8.495 -8.592 1025 HB3 GLU 340 2HB GLU 340 10.212 -7.511 -9.460 1026 HG2 GLU 340 1HG GLU 340 11.398 -9.696 -10.080 1027 HG3 GLU 340 2HG GLU 340 9.932 -10.516 -9.528 1028 H TRP 341 H TRP 341 9.073 -7.295 -6.424 1029 HA TRP 341 HA TRP 341 8.590 -5.246 -5.669 1030 HB2 TRP 341 2HB TRP 341 11.528 -5.271 -4.915 1031 HB3 TRP 341 3HB TRP 341 10.346 -4.119 -4.323 1032 HD1 TRP 341 HD1 TRP 341 12.030 -6.957 -3.063 1033 HE1 TRP 341 1HE TRP 341 10.784 -8.111 -1.155 1034 HE3 TRP 341 3HE TRP 341 7.368 -4.954 -3.832 1035 HZ2 TRP 341 2HZ TRP 341 8.074 -8.188 -0.133 1036 HZ3 TRP 341 3HZ TRP 341 5.471 -5.662 -2.448 1037 HH2 TRP 341 HH2 TRP 341 5.795 -7.296 -0.601 1038 H GLY 342 H GLY 342 8.231 -4.860 -8.101 1039 HA2 GLY 342 1HA GLY 342 10.202 -3.058 -9.341 1040 HA3 GLY 342 2HA GLY 342 8.715 -3.645 -10.075 1041 H ILE 343 H ILE 343 10.107 -0.828 -9.372 1042 HA ILE 343 HA ILE 343 8.094 0.546 -7.800 1043 HB ILE 343 HB ILE 343 10.260 1.690 -9.593 1044 HG12 ILE 343 1HG1 ILE 343 10.078 1.257 -6.579 1045 HG13 ILE 343 2HG1 ILE 343 11.186 0.472 -7.706 1046 HG21 ILE 343 1HG2 ILE 343 8.470 3.106 -7.561 1047 HG22 ILE 343 2HG2 ILE 343 9.799 3.854 -8.485 1048 HG23 ILE 343 3HG2 ILE 343 8.381 3.305 -9.329 1049 HD11 ILE 343 1HD1 ILE 343 11.234 3.393 -6.840 1050 HD12 ILE 343 2HD1 ILE 343 12.429 2.132 -6.507 1051 HD13 ILE 343 3HD1 ILE 343 12.223 2.734 -8.165 1052 H GLU 344 H GLU 344 6.198 1.339 -8.302 1053 HA GLU 344 HA GLU 344 5.490 1.876 -11.131 1054 HB2 GLU 344 1HB GLU 344 4.342 -0.086 -9.200 1055 HB3 GLU 344 2HB GLU 344 3.136 0.949 -9.966 1056 HG2 GLU 344 1HG GLU 344 5.239 -0.648 -11.482 1057 HG3 GLU 344 2HG GLU 344 3.586 -1.190 -11.174 1058 H LEU 345 H LEU 345 3.539 3.204 -11.328 1059 HA LEU 345 HA LEU 345 3.311 5.252 -9.155 1060 HB2 LEU 345 1HB LEU 345 4.253 6.322 -11.127 1061 HB3 LEU 345 2HB LEU 345 3.074 5.526 -12.175 1062 HG LEU 345 HG LEU 345 1.246 6.840 -11.309 1063 HD11 LEU 345 1HD1 LEU 345 3.217 7.965 -9.287 1064 HD12 LEU 345 2HD1 LEU 345 1.775 7.010 -8.907 1065 HD13 LEU 345 3HD1 LEU 345 1.572 8.598 -9.592 1066 HD21 LEU 345 1HD2 LEU 345 2.604 7.942 -12.994 1067 HD22 LEU 345 2HD2 LEU 345 3.699 8.597 -11.743 1068 HD23 LEU 345 3HD2 LEU 345 2.010 9.140 -11.833 1069 H VAL 346 H VAL 346 1.373 4.999 -8.148 1070 HA VAL 346 HA VAL 346 -0.867 3.881 -9.752 1071 HB VAL 346 HB VAL 346 -0.107 3.210 -6.916 1072 HG11 VAL 346 1HG1 VAL 346 -1.942 1.552 -7.027 1073 HG12 VAL 346 2HG1 VAL 346 -2.538 3.210 -7.168 1074 HG13 VAL 346 3HG1 VAL 346 -2.401 2.181 -8.628 1075 HG21 VAL 346 1HG2 VAL 346 0.081 0.861 -8.001 1076 HG22 VAL 346 2HG2 VAL 346 0.041 1.673 -9.557 1077 HG23 VAL 346 3HG2 VAL 346 1.365 1.997 -8.414 1078 H SER 347 H SER 347 -1.988 5.554 -10.153 1079 HA SER 347 HA SER 347 -3.199 7.059 -8.009 1080 HB2 SER 347 1HB SER 347 -2.787 9.277 -9.197 1081 HB3 SER 347 2HB SER 347 -1.521 8.600 -8.205 1082 HG SER 347 HG SER 347 -0.808 9.509 -10.132 1083 H GLU 348 H GLU 348 -4.930 8.312 -8.783 1084 HA GLU 348 HA GLU 348 -7.098 8.123 -9.425 1085 HB2 GLU 348 1HB GLU 348 -5.839 9.957 -10.569 1086 HB3 GLU 348 2HB GLU 348 -5.733 8.927 -12.007 1087 HG2 GLU 348 1HG GLU 348 -8.291 8.792 -11.951 1088 HG3 GLU 348 2HG GLU 348 -8.249 10.022 -10.674 Start of MODEL 15 1 H1 MET 1 H MET 1 2.779 -11.947 12.481 2 HA MET 1 HA MET 1 2.360 -13.871 11.078 3 HB2 MET 1 1HB MET 1 0.779 -11.995 10.966 4 HB3 MET 1 2HB MET 1 1.658 -11.315 9.594 5 HG2 MET 1 1HG MET 1 0.696 -14.184 9.558 6 HG3 MET 1 2HG MET 1 -0.434 -12.879 9.220 7 HE1 MET 1 1HE MET 1 0.178 -11.759 5.737 8 HE2 MET 1 2HE MET 1 -1.044 -12.261 6.930 9 HE3 MET 1 3HE MET 1 0.118 -10.975 7.332 10 H GLY 2 H GLY 2 3.857 -11.385 8.778 11 HA2 GLY 2 1HA GLY 2 6.148 -12.806 8.237 12 HA3 GLY 2 2HA GLY 2 4.907 -13.641 7.314 13 H TRP 3 H TRP 3 6.785 -10.632 7.572 14 HA TRP 3 HA TRP 3 5.519 -9.588 5.123 15 HB2 TRP 3 2HB TRP 3 7.450 -8.424 7.166 16 HB3 TRP 3 3HB TRP 3 7.167 -7.695 5.595 17 HD1 TRP 3 HD1 TRP 3 6.250 -6.957 8.826 18 HE1 TRP 3 1HE TRP 3 3.978 -5.812 9.067 19 HE3 TRP 3 3HE TRP 3 4.353 -8.111 4.255 20 HZ2 TRP 3 2HZ TRP 3 1.420 -5.903 7.606 21 HZ3 TRP 3 3HZ TRP 3 2.017 -7.556 3.667 22 HH2 TRP 3 HH2 TRP 3 0.518 -6.443 5.353 23 H MET 4 H MET 4 6.276 -10.666 3.427 24 HA MET 4 HA MET 4 8.641 -12.144 3.268 25 HB2 MET 4 1HB MET 4 7.176 -10.753 0.980 26 HB3 MET 4 2HB MET 4 8.356 -12.029 0.851 27 HG2 MET 4 1HG MET 4 6.317 -13.112 0.612 28 HG3 MET 4 2HG MET 4 6.814 -13.496 2.251 29 HE1 MET 4 1HE MET 4 2.851 -13.402 2.193 30 HE2 MET 4 2HE MET 4 3.856 -13.736 0.767 31 HE3 MET 4 3HE MET 4 4.304 -14.421 2.343 32 H PHE 5 H PHE 5 8.111 -8.655 2.554 33 HA PHE 5 HA PHE 5 10.661 -8.147 1.451 34 HB2 PHE 5 2HB PHE 5 10.308 -5.802 2.091 35 HB3 PHE 5 3HB PHE 5 8.938 -6.501 1.271 36 HD1 PHE 5 1HD PHE 5 10.163 -5.486 4.694 37 HD2 PHE 5 2HD PHE 5 6.768 -6.265 2.159 38 HE1 PHE 5 1HE PHE 5 8.667 -4.584 6.436 39 HE2 PHE 5 2HE PHE 5 5.265 -5.361 3.901 40 HZ PHE 5 HZ PHE 5 6.200 -4.536 6.059 41 H LYS 6 H LYS 6 9.654 -8.259 4.856 42 HA LYS 6 HA LYS 6 12.108 -7.227 5.970 43 HB2 LYS 6 1HB LYS 6 9.861 -7.241 7.129 44 HB3 LYS 6 2HB LYS 6 9.964 -9.010 7.221 45 HG2 LYS 6 1HG LYS 6 12.123 -8.735 8.508 46 HG3 LYS 6 2HG LYS 6 11.806 -6.996 8.549 47 HD2 LYS 6 1HD LYS 6 9.729 -7.412 9.810 48 HD3 LYS 6 2HD LYS 6 9.918 -9.148 9.593 49 HE2 LYS 6 1HE LYS 6 10.618 -8.481 11.858 50 HE3 LYS 6 2HE LYS 6 11.935 -9.207 10.928 51 HZ1 LYS 6 1HZ LYS 6 12.819 -7.036 10.519 52 HZ2 LYS 6 2HZ LYS 6 12.670 -7.235 12.104 53 HZ3 LYS 6 3HZ LYS 6 11.565 -6.301 11.333 54 H GLU 7 H GLU 7 10.822 -10.447 5.206 55 HA GLU 7 HA GLU 7 12.880 -11.954 6.436 56 HB2 GLU 7 1HB GLU 7 10.530 -12.628 5.365 57 HB3 GLU 7 2HB GLU 7 11.470 -12.815 3.886 58 HG2 GLU 7 1HG GLU 7 11.439 -14.950 4.831 59 HG3 GLU 7 2HG GLU 7 13.044 -14.329 5.268 60 H ASP 8 H ASP 8 12.595 -10.596 3.172 61 HA ASP 8 HA ASP 8 15.177 -11.635 2.313 62 HB2 ASP 8 1HB ASP 8 12.992 -9.902 1.112 63 HB3 ASP 8 2HB ASP 8 14.572 -9.906 0.343 64 H HIS 9 H HIS 9 14.094 -8.224 2.222 65 HA HIS 9 HA HIS 9 16.352 -7.217 3.714 66 HB2 HIS 9 1HB HIS 9 17.197 -5.856 1.729 67 HB3 HIS 9 2HB HIS 9 17.701 -7.525 1.873 68 HD1 HIS 9 HD1 HIS 9 14.283 -7.244 0.365 69 HD2 HIS 9 HD2 HIS 9 18.314 -7.448 -0.787 70 HE1 HIS 9 HE1 HIS 9 14.285 -7.911 -2.109 71 H SER 10 H SER 10 15.443 -5.599 4.841 72 HA SER 10 HA SER 10 13.401 -3.960 3.425 73 HB2 SER 10 1HB SER 10 12.305 -3.659 5.618 74 HB3 SER 10 2HB SER 10 12.300 -5.321 5.008 75 HG SER 10 HG SER 10 13.493 -4.238 7.248 76 H LEU 11 H LEU 11 15.347 -3.523 6.409 77 HA LEU 11 HA LEU 11 15.358 -0.856 6.481 78 HB2 LEU 11 1HB LEU 11 16.385 -2.396 8.124 79 HB3 LEU 11 2HB LEU 11 17.776 -2.600 7.052 80 HG LEU 11 HG LEU 11 18.219 -0.096 7.272 81 HD11 LEU 11 1HD1 LEU 11 15.992 0.677 7.968 82 HD12 LEU 11 2HD1 LEU 11 17.152 1.030 9.242 83 HD13 LEU 11 3HD1 LEU 11 16.047 -0.350 9.416 84 HD21 LEU 11 1HD2 LEU 11 19.442 -1.805 8.579 85 HD22 LEU 11 2HD2 LEU 11 18.204 -1.709 9.861 86 HD23 LEU 11 3HD2 LEU 11 19.220 -0.315 9.490 87 H GLU 12 H GLU 12 18.078 -2.496 4.846 88 HA GLU 12 HA GLU 12 19.202 -0.047 3.863 89 HB2 GLU 12 1HB GLU 12 19.542 -2.937 3.022 90 HB3 GLU 12 2HB GLU 12 20.552 -1.633 2.396 91 HG2 GLU 12 1HG GLU 12 20.302 -2.259 5.388 92 HG3 GLU 12 2HG GLU 12 21.476 -3.020 4.334 93 H HIS 13 H HIS 13 17.320 -2.572 2.262 94 HA HIS 13 HA HIS 13 17.191 -1.507 -0.301 95 HB2 HIS 13 1HB HIS 13 16.390 -3.805 0.780 96 HB3 HIS 13 2HB HIS 13 14.830 -3.006 0.870 97 HD1 HIS 13 HD1 HIS 13 16.320 -5.383 -1.407 98 HD2 HIS 13 HD2 HIS 13 14.557 -1.571 -1.796 99 HE1 HIS 13 HE1 HIS 13 15.624 -5.182 -3.789 100 H ARG 14 H ARG 14 14.902 -0.928 2.400 101 HA ARG 14 HA ARG 14 13.228 0.883 0.906 102 HB2 ARG 14 1HB ARG 14 13.604 0.442 3.882 103 HB3 ARG 14 2HB ARG 14 12.414 1.551 3.204 104 HG2 ARG 14 1HG ARG 14 12.427 -1.480 2.869 105 HG3 ARG 14 2HG ARG 14 11.369 -0.532 3.896 106 HD2 ARG 14 1HD ARG 14 9.976 -0.864 2.085 107 HD3 ARG 14 2HD ARG 14 10.667 0.688 1.687 108 HE ARG 14 HE ARG 14 11.717 -0.244 -0.117 109 HH11 ARG 14 1HH1 ARG 14 10.608 -2.958 1.986 110 HH12 ARG 14 2HH1 ARG 14 11.186 -4.146 0.840 111 HH21 ARG 14 1HH2 ARG 14 12.316 -2.096 -1.666 112 HH22 ARG 14 2HH2 ARG 14 12.270 -3.655 -0.948 113 H CYS 15 H CYS 15 16.107 1.372 3.036 114 HA CYS 15 HA CYS 15 15.900 4.164 3.222 115 HB2 CYS 15 2HB CYS 15 17.488 2.560 4.462 116 HB3 CYS 15 3HB CYS 15 18.511 2.592 3.014 117 HG CYS 15 HG CYS 15 17.850 4.705 5.351 118 H VAL 16 H VAL 16 17.774 2.236 0.901 119 HA VAL 16 HA VAL 16 18.762 4.295 -0.731 120 HB VAL 16 HB VAL 16 18.013 1.376 -1.251 121 HG11 VAL 16 1HG1 VAL 16 19.542 1.449 -3.223 122 HG12 VAL 16 2HG1 VAL 16 18.049 2.356 -3.431 123 HG13 VAL 16 3HG1 VAL 16 19.559 3.235 -3.085 124 HG21 VAL 16 1HG2 VAL 16 20.718 2.664 -0.729 125 HG22 VAL 16 2HG2 VAL 16 19.809 1.709 0.423 126 HG23 VAL 16 3HG2 VAL 16 20.420 0.940 -1.034 127 H GLU 17 H GLU 17 15.796 2.334 -1.070 128 HA GLU 17 HA GLU 17 14.876 3.619 -3.432 129 HB2 GLU 17 1HB GLU 17 13.632 1.944 -1.240 130 HB3 GLU 17 2HB GLU 17 12.641 2.602 -2.534 131 HG2 GLU 17 1HG GLU 17 15.179 1.025 -3.161 132 HG3 GLU 17 2HG GLU 17 13.639 0.248 -2.823 133 H SER 18 H SER 18 14.153 4.374 0.090 134 HA SER 18 HA SER 18 12.148 6.248 -0.615 135 HB2 SER 18 1HB SER 18 12.184 7.007 1.592 136 HB3 SER 18 2HB SER 18 12.394 5.263 1.652 137 HG SER 18 HG SER 18 13.743 6.992 2.878 138 H ALA 19 H ALA 19 15.704 6.600 -0.099 139 HA ALA 19 HA ALA 19 15.801 9.393 -0.452 140 HB1 ALA 19 1HB ALA 19 17.738 8.002 0.227 141 HB2 ALA 19 2HB ALA 19 17.850 7.332 -1.408 142 HB3 ALA 19 3HB ALA 19 18.141 9.065 -1.131 143 H LYS 20 H LYS 20 16.037 6.844 -3.001 144 HA LYS 20 HA LYS 20 16.174 8.713 -5.183 145 HB2 LYS 20 1HB LYS 20 15.178 5.825 -5.183 146 HB3 LYS 20 2HB LYS 20 15.500 6.802 -6.629 147 HG2 LYS 20 1HG LYS 20 17.873 7.090 -5.876 148 HG3 LYS 20 2HG LYS 20 17.537 6.022 -4.512 149 HD2 LYS 20 1HD LYS 20 16.695 4.413 -6.540 150 HD3 LYS 20 2HD LYS 20 17.872 5.408 -7.419 151 HE2 LYS 20 1HE LYS 20 19.330 4.860 -5.200 152 HE3 LYS 20 2HE LYS 20 18.211 3.474 -5.165 153 HZ1 LYS 20 1HZ LYS 20 20.035 4.204 -7.369 154 HZ2 LYS 20 2HZ LYS 20 18.928 2.984 -7.440 155 HZ3 LYS 20 3HZ LYS 20 20.204 2.941 -6.382 156 H ILE 21 H ILE 21 13.317 6.972 -3.827 157 HA ILE 21 HA ILE 21 11.464 8.051 -5.697 158 HB ILE 21 HB ILE 21 11.154 6.979 -2.876 159 HG12 ILE 21 1HG1 ILE 21 10.319 5.679 -5.512 160 HG13 ILE 21 2HG1 ILE 21 11.941 5.477 -4.882 161 HG21 ILE 21 1HG2 ILE 21 8.950 7.696 -4.848 162 HG22 ILE 21 2HG2 ILE 21 8.706 6.728 -3.374 163 HG23 ILE 21 3HG2 ILE 21 9.212 8.403 -3.250 164 HD11 ILE 21 1HD1 ILE 21 10.613 3.567 -4.249 165 HD12 ILE 21 2HD1 ILE 21 11.030 4.486 -2.788 166 HD13 ILE 21 3HD1 ILE 21 9.405 4.598 -3.473 167 H ARG 22 H ARG 22 12.521 9.304 -2.455 168 HA ARG 22 HA ARG 22 10.720 11.522 -2.437 169 HB2 ARG 22 1HB ARG 22 13.412 10.984 -1.108 170 HB3 ARG 22 2HB ARG 22 12.498 12.449 -0.800 171 HG2 ARG 22 1HG ARG 22 11.110 9.771 -0.449 172 HG3 ARG 22 2HG ARG 22 12.279 10.280 0.762 173 HD2 ARG 22 1HD ARG 22 9.898 11.973 -0.100 174 HD3 ARG 22 2HD ARG 22 9.888 10.879 1.281 175 HE ARG 22 HE ARG 22 11.310 13.448 1.023 176 HH11 ARG 22 1HH1 ARG 22 10.845 10.577 3.089 177 HH12 ARG 22 2HH1 ARG 22 11.013 11.475 4.567 178 HH21 ARG 22 1HH2 ARG 22 11.912 14.458 2.798 179 HH22 ARG 22 2HH2 ARG 22 11.839 13.739 4.417 180 H ALA 23 H ALA 23 13.928 11.040 -3.906 181 HA ALA 23 HA ALA 23 14.256 13.846 -4.557 182 HB1 ALA 23 1HB ALA 23 16.174 13.041 -5.883 183 HB2 ALA 23 2HB ALA 23 16.201 12.367 -4.255 184 HB3 ALA 23 3HB ALA 23 15.666 11.358 -5.614 185 H LYS 24 H LYS 24 13.151 10.958 -6.435 186 HA LYS 24 HA LYS 24 12.768 12.615 -8.814 187 HB2 LYS 24 1HB LYS 24 11.703 9.827 -8.167 188 HB3 LYS 24 2HB LYS 24 11.562 10.655 -9.722 189 HG2 LYS 24 1HG LYS 24 14.157 10.780 -9.703 190 HG3 LYS 24 2HG LYS 24 14.068 9.575 -8.396 191 HD2 LYS 24 1HD LYS 24 12.517 8.235 -9.947 192 HD3 LYS 24 2HD LYS 24 12.972 9.377 -11.230 193 HE2 LYS 24 1HE LYS 24 15.416 8.726 -10.700 194 HE3 LYS 24 2HE LYS 24 14.735 7.437 -9.697 195 HZ1 LYS 24 1HZ LYS 24 15.096 6.519 -11.804 196 HZ2 LYS 24 2HZ LYS 24 14.421 7.792 -12.610 197 HZ3 LYS 24 3HZ LYS 24 13.457 6.800 -11.747 198 H TYR 25 H TYR 25 10.557 11.139 -6.404 199 HA TYR 25 HA TYR 25 8.309 12.833 -7.329 200 HB2 TYR 25 2HB TYR 25 8.231 10.020 -6.193 201 HB3 TYR 25 3HB TYR 25 6.897 10.995 -6.809 202 HD1 TYR 25 1HD TYR 25 8.801 8.187 -7.638 203 HD2 TYR 25 2HD TYR 25 7.468 11.946 -9.334 204 HE1 TYR 25 1HE TYR 25 8.929 7.228 -9.920 205 HE2 TYR 25 2HE TYR 25 7.627 10.987 -11.592 206 HH TYR 25 HH TYR 25 8.114 7.555 -12.207 207 HA PRO 26 HA PRO 26 9.371 13.766 -2.891 208 HB2 PRO 26 2HB PRO 26 9.049 16.474 -3.010 209 HB3 PRO 26 3HB PRO 26 10.553 15.655 -3.534 210 HG2 PRO 26 2HG PRO 26 8.242 16.602 -5.229 211 HG3 PRO 26 3HG PRO 26 9.999 16.856 -5.506 212 HD2 PRO 26 2HD PRO 26 8.530 14.862 -6.695 213 HD3 PRO 26 3HD PRO 26 10.275 14.640 -6.265 214 H ASP 27 H ASP 27 6.646 14.269 -4.934 215 HA ASP 27 HA ASP 27 4.876 14.815 -2.635 216 HB2 ASP 27 1HB ASP 27 3.433 15.339 -5.021 217 HB3 ASP 27 2HB ASP 27 3.883 16.395 -3.711 218 H ARG 28 H ARG 28 6.039 12.168 -3.592 219 HA ARG 28 HA ARG 28 3.436 10.740 -3.659 220 HB2 ARG 28 1HB ARG 28 5.910 9.884 -5.207 221 HB3 ARG 28 2HB ARG 28 4.469 8.899 -4.953 222 HG2 ARG 28 1HG ARG 28 3.087 10.632 -6.086 223 HG3 ARG 28 2HG ARG 28 4.549 11.520 -6.490 224 HD2 ARG 28 1HD ARG 28 5.311 9.842 -7.994 225 HD3 ARG 28 2HD ARG 28 4.263 8.612 -7.271 226 HE ARG 28 HE ARG 28 2.664 9.112 -8.763 227 HH11 ARG 28 1HH1 ARG 28 4.609 12.143 -8.583 228 HH12 ARG 28 2HH1 ARG 28 3.731 12.863 -9.871 229 HH21 ARG 28 1HH2 ARG 28 1.627 10.082 -10.449 230 HH22 ARG 28 2HH2 ARG 28 1.954 11.722 -10.891 231 H VAL 29 H VAL 29 3.307 8.858 -2.423 232 HA VAL 29 HA VAL 29 5.524 8.526 -0.499 233 HB VAL 29 HB VAL 29 3.927 8.020 1.186 234 HG11 VAL 29 1HG1 VAL 29 2.889 10.228 1.439 235 HG12 VAL 29 2HG1 VAL 29 4.509 10.407 0.742 236 HG13 VAL 29 3HG1 VAL 29 3.073 10.566 -0.286 237 HG21 VAL 29 1HG2 VAL 29 1.519 8.270 0.962 238 HG22 VAL 29 2HG2 VAL 29 1.674 8.609 -0.767 239 HG23 VAL 29 3HG2 VAL 29 2.071 6.998 -0.124 240 HA PRO 30 HA PRO 30 5.618 4.362 -2.136 241 HB2 PRO 30 2HB PRO 30 7.595 3.292 -0.600 242 HB3 PRO 30 3HB PRO 30 7.914 4.576 -1.808 243 HG2 PRO 30 2HG PRO 30 7.584 4.855 1.166 244 HG3 PRO 30 3HG PRO 30 8.790 5.642 0.113 245 HD2 PRO 30 2HD PRO 30 6.405 6.808 0.986 246 HD3 PRO 30 3HD PRO 30 7.288 7.292 -0.493 247 H VAL 31 H VAL 31 3.972 2.961 -1.787 248 HA VAL 31 HA VAL 31 3.465 2.000 0.966 249 HB VAL 31 HB VAL 31 1.567 2.444 -1.351 250 HG11 VAL 31 1HG1 VAL 31 1.177 1.542 1.542 251 HG12 VAL 31 2HG1 VAL 31 -0.156 2.190 0.591 252 HG13 VAL 31 3HG1 VAL 31 0.661 0.716 0.056 253 HG21 VAL 31 1HG2 VAL 31 1.985 4.211 1.084 254 HG22 VAL 31 2HG2 VAL 31 2.179 4.637 -0.620 255 HG23 VAL 31 3HG2 VAL 31 0.574 4.300 0.017 256 H ILE 32 H ILE 32 2.873 -0.216 1.147 257 HA ILE 32 HA ILE 32 3.462 -2.006 -1.163 258 HB ILE 32 HB ILE 32 4.148 -2.380 1.782 259 HG12 ILE 32 1HG1 ILE 32 5.623 -0.688 0.752 260 HG13 ILE 32 2HG1 ILE 32 6.470 -2.135 1.202 261 HG21 ILE 32 1HG2 ILE 32 4.706 -4.171 -0.619 262 HG22 ILE 32 2HG2 ILE 32 5.508 -4.342 0.947 263 HG23 ILE 32 3HG2 ILE 32 3.746 -4.554 0.825 264 HD11 ILE 32 1HD1 ILE 32 7.256 -1.260 -0.954 265 HD12 ILE 32 2HD1 ILE 32 6.537 -2.865 -1.180 266 HD13 ILE 32 3HD1 ILE 32 5.633 -1.412 -1.647 267 H VAL 33 H VAL 33 1.656 -3.131 -1.696 268 HA VAL 33 HA VAL 33 -0.656 -3.256 0.173 269 HB VAL 33 HB VAL 33 -0.404 -3.211 -2.852 270 HG11 VAL 33 1HG1 VAL 33 -2.777 -3.224 -3.107 271 HG12 VAL 33 2HG1 VAL 33 -2.335 -4.654 -2.172 272 HG13 VAL 33 3HG1 VAL 33 -3.041 -3.243 -1.360 273 HG21 VAL 33 1HG2 VAL 33 -1.596 -1.088 -2.779 274 HG22 VAL 33 2HG2 VAL 33 -1.731 -1.190 -1.016 275 HG23 VAL 33 3HG2 VAL 33 -0.142 -0.972 -1.781 276 H GLU 34 H GLU 34 -0.836 -5.340 1.096 277 HA GLU 34 HA GLU 34 -0.226 -7.692 -0.684 278 HB2 GLU 34 1HB GLU 34 0.518 -7.112 2.197 279 HB3 GLU 34 2HB GLU 34 0.566 -8.741 1.537 280 HG2 GLU 34 1HG GLU 34 2.082 -6.663 -0.033 281 HG3 GLU 34 2HG GLU 34 2.692 -7.015 1.568 282 H LYS 35 H LYS 35 -1.558 -9.577 -0.227 283 HA LYS 35 HA LYS 35 -4.093 -8.826 1.085 284 HB2 LYS 35 1HB LYS 35 -5.216 -10.432 -0.171 285 HB3 LYS 35 2HB LYS 35 -4.148 -9.528 -1.200 286 HG2 LYS 35 1HG LYS 35 -3.928 -11.539 -2.126 287 HG3 LYS 35 2HG LYS 35 -2.526 -11.548 -1.061 288 HD2 LYS 35 1HD LYS 35 -3.552 -13.037 0.456 289 HD3 LYS 35 2HD LYS 35 -5.184 -12.721 -0.155 290 HE2 LYS 35 1HE LYS 35 -3.009 -14.143 -1.720 291 HE3 LYS 35 2HE LYS 35 -4.233 -14.959 -0.757 292 HZ1 LYS 35 1HZ LYS 35 -4.930 -13.189 -3.027 293 HZ2 LYS 35 2HZ LYS 35 -5.940 -14.174 -2.182 294 HZ3 LYS 35 3HZ LYS 35 -4.778 -14.816 -3.121 295 H VAL 36 H VAL 36 -5.301 -10.392 2.363 296 HA VAL 36 HA VAL 36 -3.612 -11.538 4.479 297 HB VAL 36 HB VAL 36 -6.629 -11.358 4.029 298 HG11 VAL 36 1HG1 VAL 36 -6.881 -12.124 6.381 299 HG12 VAL 36 2HG1 VAL 36 -6.196 -13.384 5.353 300 HG13 VAL 36 3HG1 VAL 36 -5.138 -12.469 6.452 301 HG21 VAL 36 1HG2 VAL 36 -4.785 -9.980 6.047 302 HG22 VAL 36 2HG2 VAL 36 -5.488 -9.210 4.613 303 HG23 VAL 36 3HG2 VAL 36 -6.542 -9.765 5.915 304 H SER 37 H SER 37 -2.985 -13.708 4.494 305 HA SER 37 HA SER 37 -3.139 -15.253 2.198 306 HB2 SER 37 1HB SER 37 -2.379 -17.097 3.756 307 HB3 SER 37 2HB SER 37 -1.409 -15.613 3.764 308 HG SER 37 HG SER 37 -3.277 -16.560 5.648 309 H GLY 38 H GLY 38 -4.166 -17.205 1.702 310 HA2 GLY 38 1HA GLY 38 -5.839 -18.716 1.508 311 HA3 GLY 38 2HA GLY 38 -6.428 -18.273 3.109 312 H SER 39 H SER 39 -6.535 -15.299 1.966 313 HA SER 39 HA SER 39 -9.265 -15.395 1.386 314 HB2 SER 39 1HB SER 39 -7.803 -13.451 2.291 315 HB3 SER 39 2HB SER 39 -7.507 -13.051 0.586 316 HG SER 39 HG SER 39 -10.000 -13.382 1.923 317 H GLN 40 H GLN 40 -10.361 -15.849 -0.403 318 HA GLN 40 HA GLN 40 -9.113 -16.842 -2.757 319 HB2 GLN 40 1HB GLN 40 -12.012 -16.003 -2.337 320 HB3 GLN 40 2HB GLN 40 -11.381 -16.967 -3.672 321 HG2 GLN 40 1HG GLN 40 -10.548 -18.645 -1.936 322 HG3 GLN 40 2HG GLN 40 -11.522 -17.771 -0.751 323 HE21 GLN 40 1HE2 GLN 40 -14.614 -18.992 -2.144 324 HE22 GLN 40 2HE2 GLN 40 -13.971 -17.751 -1.054 325 H ILE 41 H ILE 41 -9.647 -13.561 -1.889 326 HA ILE 41 HA ILE 41 -10.316 -12.546 -4.464 327 HB ILE 41 HB ILE 41 -10.582 -11.214 -2.458 328 HG12 ILE 41 1HG1 ILE 41 -9.665 -9.079 -3.185 329 HG13 ILE 41 2HG1 ILE 41 -8.582 -9.876 -4.312 330 HG21 ILE 41 1HG2 ILE 41 -8.644 -11.936 -1.132 331 HG22 ILE 41 2HG2 ILE 41 -7.544 -11.125 -2.253 332 HG23 ILE 41 3HG2 ILE 41 -8.677 -10.179 -1.267 333 HD11 ILE 41 1HD1 ILE 41 -10.612 -8.937 -5.404 334 HD12 ILE 41 2HD1 ILE 41 -10.532 -10.684 -5.628 335 HD13 ILE 41 3HD1 ILE 41 -11.632 -10.005 -4.410 336 H VAL 42 H VAL 42 -8.932 -11.584 -6.042 337 HA VAL 42 HA VAL 42 -6.963 -13.211 -6.999 338 HB VAL 42 HB VAL 42 -6.359 -11.333 -8.502 339 HG11 VAL 42 1HG1 VAL 42 -8.312 -12.760 -9.013 340 HG12 VAL 42 2HG1 VAL 42 -9.377 -11.668 -8.101 341 HG13 VAL 42 3HG1 VAL 42 -8.555 -11.106 -9.570 342 HG21 VAL 42 1HG2 VAL 42 -8.353 -9.666 -6.913 343 HG22 VAL 42 2HG2 VAL 42 -6.582 -9.468 -6.884 344 HG23 VAL 42 3HG2 VAL 42 -7.474 -9.221 -8.385 345 H ASP 43 H ASP 43 -4.829 -13.296 -7.139 346 HA ASP 43 HA ASP 43 -3.287 -12.604 -4.802 347 HB2 ASP 43 1HB ASP 43 -1.549 -13.853 -5.925 348 HB3 ASP 43 2HB ASP 43 -3.059 -14.730 -6.156 349 H ILE 44 H ILE 44 -1.382 -11.281 -4.763 350 HA ILE 44 HA ILE 44 -1.061 -9.410 -7.023 351 HB ILE 44 HB ILE 44 -2.404 -8.441 -5.210 352 HG12 ILE 44 1HG1 ILE 44 0.243 -6.992 -5.455 353 HG13 ILE 44 2HG1 ILE 44 -0.967 -7.086 -6.736 354 HG21 ILE 44 1HG2 ILE 44 -1.448 -9.572 -3.269 355 HG22 ILE 44 2HG2 ILE 44 0.081 -8.651 -3.474 356 HG23 ILE 44 3HG2 ILE 44 -1.402 -7.830 -3.037 357 HD11 ILE 44 1HD1 ILE 44 -1.378 -5.022 -5.573 358 HD12 ILE 44 2HD1 ILE 44 -2.677 -6.124 -5.130 359 HD13 ILE 44 3HD1 ILE 44 -1.335 -5.813 -4.002 360 H ASP 45 H ASP 45 0.971 -9.503 -7.785 361 HA ASP 45 HA ASP 45 2.990 -11.184 -6.451 362 HB2 ASP 45 1HB ASP 45 2.988 -9.663 -9.074 363 HB3 ASP 45 2HB ASP 45 4.407 -10.504 -8.434 364 H LYS 46 H LYS 46 5.246 -10.357 -6.129 365 HA LYS 46 HA LYS 46 5.067 -8.135 -4.316 366 HB2 LYS 46 1HB LYS 46 7.296 -9.917 -5.316 367 HB3 LYS 46 2HB LYS 46 7.672 -8.470 -4.373 368 HG2 LYS 46 1HG LYS 46 7.597 -10.059 -2.742 369 HG3 LYS 46 2HG LYS 46 6.003 -9.330 -2.612 370 HD2 LYS 46 1HD LYS 46 5.019 -11.246 -3.816 371 HD3 LYS 46 2HD LYS 46 6.644 -11.920 -4.067 372 HE2 LYS 46 1HE LYS 46 6.975 -12.295 -1.731 373 HE3 LYS 46 2HE LYS 46 5.519 -11.368 -1.298 374 HZ1 LYS 46 1HZ LYS 46 5.344 -13.890 -1.322 375 HZ2 LYS 46 2HZ LYS 46 5.324 -13.779 -2.964 376 HZ3 LYS 46 3HZ LYS 46 4.155 -13.031 -2.035 377 H ARG 47 H ARG 47 4.476 -6.308 -5.287 378 HA ARG 47 HA ARG 47 6.484 -4.899 -6.947 379 HB2 ARG 47 1HB ARG 47 3.454 -4.941 -7.345 380 HB3 ARG 47 2HB ARG 47 4.510 -3.748 -8.097 381 HG2 ARG 47 1HG ARG 47 4.712 -6.751 -8.544 382 HG3 ARG 47 2HG ARG 47 3.922 -5.612 -9.618 383 HD2 ARG 47 1HD ARG 47 6.708 -4.910 -8.956 384 HD3 ARG 47 2HD ARG 47 6.508 -6.410 -9.831 385 HE ARG 47 HE ARG 47 5.304 -3.849 -10.800 386 HH11 ARG 47 1HH1 ARG 47 7.419 -6.646 -11.355 387 HH12 ARG 47 2HH1 ARG 47 7.831 -6.263 -12.954 388 HH21 ARG 47 1HH2 ARG 47 5.758 -3.301 -12.969 389 HH22 ARG 47 2HH2 ARG 47 6.750 -4.342 -13.949 390 H LYS 48 H LYS 48 6.234 -2.563 -6.836 391 HA LYS 48 HA LYS 48 5.431 -1.706 -4.092 392 HB2 LYS 48 1HB LYS 48 7.544 -0.531 -5.945 393 HB3 LYS 48 2HB LYS 48 7.152 -0.010 -4.327 394 HG2 LYS 48 1HG LYS 48 7.813 -2.339 -3.547 395 HG3 LYS 48 2HG LYS 48 8.328 -2.683 -5.191 396 HD2 LYS 48 1HD LYS 48 10.187 -2.057 -3.817 397 HD3 LYS 48 2HD LYS 48 9.975 -0.881 -5.118 398 HE2 LYS 48 1HE LYS 48 8.825 0.637 -3.474 399 HE3 LYS 48 2HE LYS 48 9.095 -0.584 -2.207 400 HZ1 LYS 48 1HZ LYS 48 10.848 1.021 -2.081 401 HZ2 LYS 48 2HZ LYS 48 11.146 0.929 -3.712 402 HZ3 LYS 48 3HZ LYS 48 11.505 -0.345 -2.824 403 H TYR 49 H TYR 49 4.113 0.084 -3.894 404 HA TYR 49 HA TYR 49 3.201 1.358 -6.440 405 HB2 TYR 49 2HB TYR 49 1.763 0.586 -3.870 406 HB3 TYR 49 3HB TYR 49 1.037 1.420 -5.216 407 HD1 TYR 49 1HD TYR 49 1.201 -1.703 -3.755 408 HD2 TYR 49 2HD TYR 49 1.617 0.099 -7.642 409 HE1 TYR 49 1HE TYR 49 0.504 -3.830 -4.840 410 HE2 TYR 49 2HE TYR 49 0.897 -1.976 -8.716 411 HH TYR 49 HH TYR 49 0.515 -4.307 -8.329 412 H LEU 50 H LEU 50 3.269 3.508 -6.538 413 HA LEU 50 HA LEU 50 4.026 5.097 -4.125 414 HB2 LEU 50 1HB LEU 50 4.682 5.769 -7.002 415 HB3 LEU 50 2HB LEU 50 5.228 6.599 -5.555 416 HG LEU 50 HG LEU 50 6.115 3.872 -6.583 417 HD11 LEU 50 1HD1 LEU 50 7.222 5.685 -7.736 418 HD12 LEU 50 2HD1 LEU 50 8.369 5.037 -6.577 419 HD13 LEU 50 3HD1 LEU 50 7.520 6.553 -6.220 420 HD21 LEU 50 1HD2 LEU 50 7.696 3.793 -4.704 421 HD22 LEU 50 2HD2 LEU 50 6.034 3.728 -4.153 422 HD23 LEU 50 3HD2 LEU 50 6.937 5.252 -3.999 423 H VAL 51 H VAL 51 2.221 6.292 -3.501 424 HA VAL 51 HA VAL 51 0.382 7.223 -5.670 425 HB VAL 51 HB VAL 51 -1.169 7.651 -3.681 426 HG11 VAL 51 1HG1 VAL 51 -2.410 5.841 -4.051 427 HG12 VAL 51 2HG1 VAL 51 -1.369 5.791 -5.486 428 HG13 VAL 51 3HG1 VAL 51 -1.078 4.731 -4.102 429 HG21 VAL 51 1HG2 VAL 51 0.530 5.503 -2.352 430 HG22 VAL 51 2HG2 VAL 51 0.286 7.174 -1.799 431 HG23 VAL 51 3HG2 VAL 51 -1.068 6.047 -1.808 432 HA PRO 52 HA PRO 52 1.758 11.297 -4.571 433 HB2 PRO 52 2HB PRO 52 -0.331 12.907 -5.332 434 HB3 PRO 52 3HB PRO 52 0.823 12.153 -6.479 435 HG2 PRO 52 2HG PRO 52 -1.914 11.162 -5.697 436 HG3 PRO 52 3HG PRO 52 -1.251 11.332 -7.287 437 HD2 PRO 52 2HD PRO 52 -1.260 8.951 -5.911 438 HD3 PRO 52 3HD PRO 52 0.121 9.362 -6.966 439 H SER 53 H SER 53 1.731 12.557 -2.701 440 HA SER 53 HA SER 53 0.102 11.801 -0.531 441 HB2 SER 53 1HB SER 53 1.144 14.154 0.317 442 HB3 SER 53 2HB SER 53 1.965 12.596 0.356 443 HG SER 53 HG SER 53 2.205 14.593 -1.660 444 H ASP 54 H ASP 54 -0.714 13.779 -3.130 445 HA ASP 54 HA ASP 54 -2.446 15.726 -1.866 446 HB2 ASP 54 1HB ASP 54 -2.182 14.661 -4.715 447 HB3 ASP 54 2HB ASP 54 -3.297 15.936 -4.249 448 H ILE 55 H ILE 55 -2.924 12.441 -3.331 449 HA ILE 55 HA ILE 55 -5.807 12.793 -3.344 450 HB ILE 55 HB ILE 55 -5.958 10.457 -3.916 451 HG12 ILE 55 1HG1 ILE 55 -3.134 9.875 -4.411 452 HG13 ILE 55 2HG1 ILE 55 -3.428 10.142 -2.705 453 HG21 ILE 55 1HG2 ILE 55 -4.858 10.591 -6.122 454 HG22 ILE 55 2HG2 ILE 55 -5.726 12.069 -5.674 455 HG23 ILE 55 3HG2 ILE 55 -3.965 12.028 -5.569 456 HD11 ILE 55 1HD1 ILE 55 -5.199 8.453 -2.699 457 HD12 ILE 55 2HD1 ILE 55 -4.998 8.202 -4.448 458 HD13 ILE 55 3HD1 ILE 55 -3.687 7.770 -3.321 459 H THR 56 H THR 56 -7.253 11.108 -2.177 460 HA THR 56 HA THR 56 -6.522 11.188 0.686 461 HB THR 56 HB THR 56 -8.974 11.176 1.006 462 HG1 THR 56 1HG THR 56 -10.024 11.573 -1.284 463 HG21 THR 56 1HG2 THR 56 -7.986 13.385 0.755 464 HG22 THR 56 2HG2 THR 56 -9.557 13.342 -0.087 465 HG23 THR 56 3HG2 THR 56 -8.071 13.287 -1.018 466 H VAL 57 H VAL 57 -7.553 9.510 2.021 467 HA VAL 57 HA VAL 57 -6.752 6.878 1.298 468 HB VAL 57 HB VAL 57 -8.636 7.997 3.426 469 HG11 VAL 57 1HG1 VAL 57 -9.267 5.659 3.128 470 HG12 VAL 57 2HG1 VAL 57 -7.577 5.157 3.213 471 HG13 VAL 57 3HG1 VAL 57 -8.392 5.861 4.624 472 HG21 VAL 57 1HG2 VAL 57 -6.239 8.646 3.652 473 HG22 VAL 57 2HG2 VAL 57 -6.684 7.477 4.908 474 HG23 VAL 57 3HG2 VAL 57 -5.768 6.940 3.503 475 H ALA 58 H ALA 58 -9.846 8.683 0.869 476 HA ALA 58 HA ALA 58 -11.455 6.466 0.117 477 HB1 ALA 58 1HB ALA 58 -12.258 8.880 0.491 478 HB2 ALA 58 2HB ALA 58 -11.572 9.279 -1.079 479 HB3 ALA 58 3HB ALA 58 -12.864 8.077 -0.967 480 H GLN 59 H GLN 59 -9.436 8.690 -1.934 481 HA GLN 59 HA GLN 59 -10.041 7.329 -4.358 482 HB2 GLN 59 1HB GLN 59 -7.529 8.931 -3.739 483 HB3 GLN 59 2HB GLN 59 -8.127 8.487 -5.332 484 HG2 GLN 59 1HG GLN 59 -9.175 10.558 -3.436 485 HG3 GLN 59 2HG GLN 59 -8.714 10.731 -5.114 486 HE21 GLN 59 1HE2 GLN 59 -11.901 9.226 -6.285 487 HE22 GLN 59 2HE2 GLN 59 -10.195 9.065 -6.616 488 H PHE 60 H PHE 60 -7.193 7.003 -2.145 489 HA PHE 60 HA PHE 60 -5.830 5.153 -3.749 490 HB2 PHE 60 2HB PHE 60 -4.904 6.256 -1.725 491 HB3 PHE 60 3HB PHE 60 -5.961 5.290 -0.711 492 HD1 PHE 60 1HD PHE 60 -4.088 4.482 0.606 493 HD2 PHE 60 2HD PHE 60 -4.247 3.682 -3.628 494 HE1 PHE 60 1HE PHE 60 -2.343 2.786 0.858 495 HE2 PHE 60 2HE PHE 60 -2.509 1.994 -3.389 496 HZ PHE 60 HZ PHE 60 -1.532 1.504 -1.138 497 H MET 61 H MET 61 -8.342 4.512 -1.235 498 HA MET 61 HA MET 61 -8.235 1.706 -1.603 499 HB2 MET 61 1HB MET 61 -9.217 2.817 0.364 500 HB3 MET 61 2HB MET 61 -10.560 3.376 -0.635 501 HG2 MET 61 1HG MET 61 -11.302 1.130 -1.064 502 HG3 MET 61 2HG MET 61 -9.778 0.481 -0.505 503 HE1 MET 61 1HE MET 61 -13.345 1.348 2.201 504 HE2 MET 61 2HE MET 61 -12.647 2.740 1.372 505 HE3 MET 61 3HE MET 61 -13.325 1.396 0.430 506 H TRP 62 H TRP 62 -10.325 4.159 -3.287 507 HA TRP 62 HA TRP 62 -11.904 2.269 -4.761 508 HB2 TRP 62 2HB TRP 62 -11.162 5.180 -5.144 509 HB3 TRP 62 3HB TRP 62 -11.798 4.304 -6.510 510 HD1 TRP 62 HD1 TRP 62 -12.905 5.403 -3.022 511 HE1 TRP 62 1HE TRP 62 -15.372 5.696 -2.926 512 HE3 TRP 62 3HE TRP 62 -13.976 3.787 -7.748 513 HZ2 TRP 62 2HZ TRP 62 -17.655 5.261 -4.727 514 HZ3 TRP 62 3HZ TRP 62 -16.313 3.858 -8.563 515 HH2 TRP 62 HH2 TRP 62 -18.158 4.551 -7.047 516 H ILE 63 H ILE 63 -8.811 3.920 -5.527 517 HA ILE 63 HA ILE 63 -8.517 2.786 -8.089 518 HB ILE 63 HB ILE 63 -6.380 3.720 -6.149 519 HG12 ILE 63 1HG1 ILE 63 -7.451 5.287 -8.501 520 HG13 ILE 63 2HG1 ILE 63 -8.290 5.388 -6.988 521 HG21 ILE 63 1HG2 ILE 63 -5.275 2.461 -7.872 522 HG22 ILE 63 2HG2 ILE 63 -6.399 3.040 -9.125 523 HG23 ILE 63 3HG2 ILE 63 -5.217 4.143 -8.464 524 HD11 ILE 63 1HD1 ILE 63 -6.121 6.114 -5.900 525 HD12 ILE 63 2HD1 ILE 63 -5.446 6.237 -7.551 526 HD13 ILE 63 3HD1 ILE 63 -6.829 7.235 -7.054 527 H ILE 64 H ILE 64 -7.253 1.613 -4.868 528 HA ILE 64 HA ILE 64 -5.979 -0.679 -5.871 529 HB ILE 64 HB ILE 64 -7.365 -0.150 -3.220 530 HG12 ILE 64 1HG1 ILE 64 -4.395 -0.559 -3.719 531 HG13 ILE 64 2HG1 ILE 64 -5.127 1.031 -3.901 532 HG21 ILE 64 1HG2 ILE 64 -6.138 -2.238 -2.391 533 HG22 ILE 64 2HG2 ILE 64 -7.422 -2.595 -3.529 534 HG23 ILE 64 3HG2 ILE 64 -5.734 -2.579 -4.072 535 HD11 ILE 64 1HD1 ILE 64 -5.737 1.162 -1.599 536 HD12 ILE 64 2HD1 ILE 64 -5.449 -0.565 -1.313 537 HD13 ILE 64 3HD1 ILE 64 -4.096 0.483 -1.611 538 H ARG 65 H ARG 65 -9.480 -0.449 -4.778 539 HA ARG 65 HA ARG 65 -9.948 -3.155 -5.518 540 HB2 ARG 65 1HB ARG 65 -12.304 -2.737 -5.345 541 HB3 ARG 65 2HB ARG 65 -11.416 -2.040 -3.992 542 HG2 ARG 65 1HG ARG 65 -11.633 0.171 -4.848 543 HG3 ARG 65 2HG ARG 65 -12.457 -0.388 -6.314 544 HD2 ARG 65 1HD ARG 65 -13.453 -0.806 -3.456 545 HD3 ARG 65 2HD ARG 65 -13.984 0.514 -4.520 546 HE ARG 65 HE ARG 65 -14.303 -1.850 -5.969 547 HH11 ARG 65 1HH1 ARG 65 -15.753 -0.654 -2.887 548 HH12 ARG 65 2HH1 ARG 65 -17.373 -1.040 -3.433 549 HH21 ARG 65 1HH2 ARG 65 -16.484 -2.393 -6.525 550 HH22 ARG 65 2HH2 ARG 65 -17.728 -2.203 -5.362 551 H LYS 66 H LYS 66 -9.946 -0.260 -7.564 552 HA LYS 66 HA LYS 66 -11.108 -1.721 -9.835 553 HB2 LYS 66 1HB LYS 66 -9.601 0.916 -9.619 554 HB3 LYS 66 2HB LYS 66 -10.122 0.212 -11.155 555 HG2 LYS 66 1HG LYS 66 -12.481 0.113 -10.258 556 HG3 LYS 66 2HG LYS 66 -11.948 1.066 -8.863 557 HD2 LYS 66 1HD LYS 66 -11.659 1.889 -11.790 558 HD3 LYS 66 2HD LYS 66 -12.968 2.427 -10.716 559 HE2 LYS 66 1HE LYS 66 -11.381 3.559 -9.249 560 HE3 LYS 66 2HE LYS 66 -10.012 2.929 -10.176 561 HZ1 LYS 66 1HZ LYS 66 -12.035 4.792 -11.257 562 HZ2 LYS 66 2HZ LYS 66 -10.665 4.227 -12.036 563 HZ3 LYS 66 3HZ LYS 66 -10.544 5.169 -10.710 564 H ARG 67 H ARG 67 -7.747 -1.024 -8.702 565 HA ARG 67 HA ARG 67 -6.370 -1.966 -10.988 566 HB2 ARG 67 1HB ARG 67 -5.723 -1.703 -8.022 567 HB3 ARG 67 2HB ARG 67 -4.575 -2.421 -9.108 568 HG2 ARG 67 1HG ARG 67 -5.693 0.399 -9.384 569 HG3 ARG 67 2HG ARG 67 -4.132 -0.018 -8.678 570 HD2 ARG 67 1HD ARG 67 -4.990 -0.383 -11.567 571 HD3 ARG 67 2HD ARG 67 -3.832 0.790 -10.930 572 HE ARG 67 HE ARG 67 -3.398 -2.175 -10.755 573 HH11 ARG 67 1HH1 ARG 67 -2.101 0.967 -11.918 574 HH12 ARG 67 2HH1 ARG 67 -0.543 0.250 -12.251 575 HH21 ARG 67 1HH2 ARG 67 -1.520 -3.005 -11.281 576 HH22 ARG 67 2HH2 ARG 67 -0.290 -2.119 -12.138 577 H ILE 68 H ILE 68 -7.410 -3.711 -8.007 578 HA ILE 68 HA ILE 68 -6.394 -6.210 -9.114 579 HB ILE 68 HB ILE 68 -7.209 -7.249 -7.175 580 HG12 ILE 68 1HG1 ILE 68 -8.779 -4.753 -6.440 581 HG13 ILE 68 2HG1 ILE 68 -9.483 -6.226 -7.112 582 HG21 ILE 68 1HG2 ILE 68 -5.205 -5.737 -6.956 583 HG22 ILE 68 2HG2 ILE 68 -6.259 -4.544 -6.175 584 HG23 ILE 68 3HG2 ILE 68 -6.016 -6.150 -5.455 585 HD11 ILE 68 1HD1 ILE 68 -9.851 -6.377 -4.794 586 HD12 ILE 68 2HD1 ILE 68 -8.546 -7.520 -5.167 587 HD13 ILE 68 3HD1 ILE 68 -8.178 -5.957 -4.411 588 H GLN 69 H GLN 69 -9.084 -4.333 -9.840 589 HA GLN 69 HA GLN 69 -11.047 -4.594 -10.881 590 HB2 GLN 69 1HB GLN 69 -9.627 -7.017 -12.021 591 HB3 GLN 69 2HB GLN 69 -11.143 -6.344 -12.636 592 HG2 GLN 69 1HG GLN 69 -9.951 -4.175 -13.070 593 HG3 GLN 69 2HG GLN 69 -8.435 -4.954 -12.573 594 HE21 GLN 69 1HE2 GLN 69 -10.322 -6.274 -16.004 595 HE22 GLN 69 2HE2 GLN 69 -11.121 -5.137 -14.918 596 H LEU 70 H LEU 70 -11.443 -5.009 -8.493 597 HA LEU 70 HA LEU 70 -12.318 -7.503 -7.514 598 HB2 LEU 70 1HB LEU 70 -11.618 -5.698 -6.101 599 HB3 LEU 70 2HB LEU 70 -12.857 -4.634 -6.698 600 HG LEU 70 HG LEU 70 -13.051 -5.688 -4.336 601 HD11 LEU 70 1HD1 LEU 70 -15.559 -5.798 -5.976 602 HD12 LEU 70 2HD1 LEU 70 -14.803 -4.310 -5.372 603 HD13 LEU 70 3HD1 LEU 70 -15.346 -5.549 -4.230 604 HD21 LEU 70 1HD2 LEU 70 -12.674 -7.997 -4.987 605 HD22 LEU 70 2HD2 LEU 70 -14.232 -7.995 -5.845 606 HD23 LEU 70 3HD2 LEU 70 -14.179 -7.750 -4.102 607 HA PRO 71 HA PRO 71 -16.265 -7.341 -9.856 608 HB2 PRO 71 2HB PRO 71 -17.114 -9.884 -9.293 609 HB3 PRO 71 3HB PRO 71 -15.900 -9.526 -10.566 610 HG2 PRO 71 2HG PRO 71 -15.437 -10.452 -7.723 611 HG3 PRO 71 3HG PRO 71 -14.664 -11.052 -9.220 612 HD2 PRO 71 2HD PRO 71 -13.483 -9.261 -7.540 613 HD3 PRO 71 3HD PRO 71 -13.255 -9.208 -9.304 614 H SER 72 H SER 72 -18.487 -7.101 -9.053 615 HA SER 72 HA SER 72 -18.693 -6.284 -6.369 616 HB2 SER 72 1HB SER 72 -21.141 -6.131 -6.819 617 HB3 SER 72 2HB SER 72 -20.127 -5.324 -8.031 618 HG SER 72 HG SER 72 -21.777 -6.637 -9.008 619 H GLU 73 H GLU 73 -19.070 -9.460 -7.740 620 HA GLU 73 HA GLU 73 -20.652 -10.664 -5.767 621 HB2 GLU 73 1HB GLU 73 -19.732 -12.792 -6.474 622 HB3 GLU 73 2HB GLU 73 -20.124 -11.774 -7.846 623 HG2 GLU 73 1HG GLU 73 -17.507 -11.104 -7.501 624 HG3 GLU 73 2HG GLU 73 -17.498 -12.742 -6.869 625 H LYS 74 H LYS 74 -17.180 -9.937 -5.811 626 HA LYS 74 HA LYS 74 -16.837 -11.111 -3.115 627 HB2 LYS 74 1HB LYS 74 -14.709 -9.973 -4.957 628 HB3 LYS 74 2HB LYS 74 -14.448 -10.890 -3.487 629 HG2 LYS 74 1HG LYS 74 -15.584 -11.894 -6.111 630 HG3 LYS 74 2HG LYS 74 -14.007 -12.249 -5.452 631 HD2 LYS 74 1HD LYS 74 -16.627 -13.077 -4.115 632 HD3 LYS 74 2HD LYS 74 -15.749 -14.060 -5.272 633 HE2 LYS 74 1HE LYS 74 -13.723 -13.995 -3.785 634 HE3 LYS 74 2HE LYS 74 -14.584 -12.962 -2.647 635 HZ1 LYS 74 1HZ LYS 74 -15.355 -15.728 -3.320 636 HZ2 LYS 74 2HZ LYS 74 -16.107 -14.738 -2.245 637 HZ3 LYS 74 3HZ LYS 74 -14.568 -15.234 -1.941 638 H ALA 75 H ALA 75 -15.438 -9.788 -1.639 639 HA ALA 75 HA ALA 75 -16.440 -6.989 -1.520 640 HB1 ALA 75 1HB ALA 75 -17.326 -8.469 0.247 641 HB2 ALA 75 2HB ALA 75 -15.670 -8.941 0.704 642 HB3 ALA 75 3HB ALA 75 -16.219 -7.265 0.926 643 H ILE 76 H ILE 76 -14.817 -5.675 -0.073 644 HA ILE 76 HA ILE 76 -12.073 -6.500 -0.237 645 HB ILE 76 HB ILE 76 -12.250 -5.622 -2.432 646 HG12 ILE 76 1HG1 ILE 76 -10.829 -3.529 -2.173 647 HG13 ILE 76 2HG1 ILE 76 -10.826 -3.810 -0.456 648 HG21 ILE 76 1HG2 ILE 76 -13.036 -3.342 -2.954 649 HG22 ILE 76 2HG2 ILE 76 -14.315 -4.404 -2.378 650 HG23 ILE 76 3HG2 ILE 76 -13.631 -3.198 -1.290 651 HD11 ILE 76 1HD1 ILE 76 -9.781 -6.003 -0.802 652 HD12 ILE 76 2HD1 ILE 76 -9.881 -5.772 -2.568 653 HD13 ILE 76 3HD1 ILE 76 -8.849 -4.705 -1.602 654 H PHE 77 H PHE 77 -10.968 -5.625 1.369 655 HA PHE 77 HA PHE 77 -11.973 -3.287 2.915 656 HB2 PHE 77 2HB PHE 77 -11.345 -6.010 4.137 657 HB3 PHE 77 3HB PHE 77 -11.671 -4.534 5.044 658 HD1 PHE 77 1HD PHE 77 -13.140 -7.478 3.606 659 HD2 PHE 77 2HD PHE 77 -13.966 -3.375 4.633 660 HE1 PHE 77 1HE PHE 77 -15.584 -7.928 3.474 661 HE2 PHE 77 2HE PHE 77 -16.406 -3.808 4.429 662 HZ PHE 77 HZ PHE 77 -17.214 -6.090 3.854 663 H LEU 78 H LEU 78 -10.219 -2.093 3.866 664 HA LEU 78 HA LEU 78 -7.510 -3.198 3.384 665 HB2 LEU 78 1HB LEU 78 -8.391 -0.270 3.385 666 HB3 LEU 78 2HB LEU 78 -6.742 -0.863 3.274 667 HG LEU 78 HG LEU 78 -8.920 -1.399 1.246 668 HD11 LEU 78 1HD1 LEU 78 -6.428 0.359 1.091 669 HD12 LEU 78 2HD1 LEU 78 -8.117 0.908 1.146 670 HD13 LEU 78 3HD1 LEU 78 -7.530 0.017 -0.257 671 HD21 LEU 78 1HD2 LEU 78 -5.995 -2.201 1.178 672 HD22 LEU 78 2HD2 LEU 78 -7.114 -2.313 -0.201 673 HD23 LEU 78 3HD2 LEU 78 -7.418 -3.268 1.240 674 H PHE 79 H PHE 79 -6.037 -2.785 4.927 675 HA PHE 79 HA PHE 79 -6.973 -1.806 7.593 676 HB2 PHE 79 2HB PHE 79 -5.419 -4.393 7.237 677 HB3 PHE 79 3HB PHE 79 -6.127 -3.759 8.713 678 HD1 PHE 79 1HD PHE 79 -6.942 -5.199 5.336 679 HD2 PHE 79 2HD PHE 79 -8.419 -4.320 9.294 680 HE1 PHE 79 1HE PHE 79 -8.987 -6.459 4.852 681 HE2 PHE 79 2HE PHE 79 -10.445 -5.665 8.827 682 HZ PHE 79 HZ PHE 79 -10.752 -6.718 6.588 683 H VAL 80 H VAL 80 -5.507 -0.319 8.350 684 HA VAL 80 HA VAL 80 -2.656 -0.697 7.732 685 HB VAL 80 HB VAL 80 -4.056 0.864 6.149 686 HG11 VAL 80 1HG1 VAL 80 -4.113 3.186 6.776 687 HG12 VAL 80 2HG1 VAL 80 -5.079 2.220 7.926 688 HG13 VAL 80 3HG1 VAL 80 -3.480 2.803 8.380 689 HG21 VAL 80 1HG2 VAL 80 -1.680 0.523 5.945 690 HG22 VAL 80 2HG2 VAL 80 -2.029 2.254 5.789 691 HG23 VAL 80 3HG2 VAL 80 -1.352 1.603 7.289 692 H ASP 81 H ASP 81 -1.343 0.016 9.477 693 HA ASP 81 HA ASP 81 -0.888 0.236 11.684 694 HB2 ASP 81 1HB ASP 81 -1.218 2.567 10.966 695 HB3 ASP 81 2HB ASP 81 -2.901 2.509 11.532 696 H LYS 82 H LYS 82 -2.907 -1.705 11.109 697 HA LYS 82 HA LYS 82 -4.252 -3.205 12.142 698 HB2 LYS 82 1HB LYS 82 -3.639 -1.775 14.748 699 HB3 LYS 82 2HB LYS 82 -4.269 -3.388 14.571 700 HG2 LYS 82 1HG LYS 82 -2.209 -4.279 13.867 701 HG3 LYS 82 2HG LYS 82 -1.558 -2.716 13.376 702 HD2 LYS 82 1HD LYS 82 -1.394 -1.933 15.640 703 HD3 LYS 82 2HD LYS 82 -2.196 -3.373 16.282 704 HE2 LYS 82 1HE LYS 82 0.405 -3.450 14.701 705 HE3 LYS 82 2HE LYS 82 0.359 -3.255 16.453 706 HZ1 LYS 82 1HZ LYS 82 -0.683 -5.367 16.687 707 HZ2 LYS 82 2HZ LYS 82 0.646 -5.564 15.734 708 HZ3 LYS 82 3HZ LYS 82 -0.861 -5.586 15.083 709 H THR 83 H THR 83 -5.381 -0.513 11.145 710 HA THR 83 HA THR 83 -8.039 -0.891 12.268 711 HB THR 83 HB THR 83 -7.006 0.635 13.844 712 HG1 THR 83 1HG THR 83 -8.548 2.403 12.408 713 HG21 THR 83 1HG2 THR 83 -6.247 2.886 13.261 714 HG22 THR 83 2HG2 THR 83 -6.505 2.552 11.530 715 HG23 THR 83 3HG2 THR 83 -5.252 1.691 12.443 716 H VAL 84 H VAL 84 -9.657 0.532 11.007 717 HA VAL 84 HA VAL 84 -8.884 0.365 8.166 718 HB VAL 84 HB VAL 84 -11.611 1.230 9.150 719 HG11 VAL 84 1HG1 VAL 84 -10.948 1.516 6.739 720 HG12 VAL 84 2HG1 VAL 84 -10.620 -0.218 6.650 721 HG13 VAL 84 3HG1 VAL 84 -12.275 0.361 6.961 722 HG21 VAL 84 1HG2 VAL 84 -12.318 -1.151 8.794 723 HG22 VAL 84 2HG2 VAL 84 -10.596 -1.615 8.755 724 HG23 VAL 84 3HG2 VAL 84 -11.322 -0.915 10.224 725 HA PRO 85 HA PRO 85 -7.938 4.767 8.784 726 HB2 PRO 85 2HB PRO 85 -6.943 5.402 6.340 727 HB3 PRO 85 3HB PRO 85 -6.067 4.347 7.478 728 HG2 PRO 85 2HG PRO 85 -7.859 3.539 5.185 729 HG3 PRO 85 3HG PRO 85 -6.234 2.893 5.513 730 HD2 PRO 85 2HD PRO 85 -8.512 1.590 6.300 731 HD3 PRO 85 3HD PRO 85 -7.030 1.579 7.295 732 H GLN 86 H GLN 86 -9.106 6.590 8.518 733 HA GLN 86 HA GLN 86 -11.746 6.466 7.417 734 HB2 GLN 86 1HB GLN 86 -11.386 7.776 9.356 735 HB3 GLN 86 2HB GLN 86 -10.028 8.655 8.646 736 HG2 GLN 86 1HG GLN 86 -11.369 10.027 7.348 737 HG3 GLN 86 2HG GLN 86 -12.736 8.925 7.378 738 HE21 GLN 86 1HE2 GLN 86 -12.297 11.739 10.326 739 HE22 GLN 86 2HE2 GLN 86 -11.201 11.582 8.973 740 H SER 87 H SER 87 -12.355 6.775 5.347 741 HA SER 87 HA SER 87 -10.791 7.277 3.167 742 HB2 SER 87 1HB SER 87 -13.728 7.977 3.524 743 HB3 SER 87 2HB SER 87 -12.900 7.660 1.994 744 HG SER 87 HG SER 87 -13.648 5.751 2.385 745 H SER 88 H SER 88 -12.148 9.745 5.334 746 HA SER 88 HA SER 88 -11.859 11.942 3.496 747 HB2 SER 88 1HB SER 88 -12.167 12.077 6.508 748 HB3 SER 88 2HB SER 88 -12.624 13.284 5.287 749 HG SER 88 HG SER 88 -14.517 12.200 5.670 750 H LEU 89 H LEU 89 -9.582 10.205 5.522 751 HA LEU 89 HA LEU 89 -7.821 12.334 6.112 752 HB2 LEU 89 1HB LEU 89 -8.078 10.054 7.223 753 HB3 LEU 89 2HB LEU 89 -7.315 9.357 5.810 754 HG LEU 89 HG LEU 89 -5.222 10.545 6.245 755 HD11 LEU 89 1HD1 LEU 89 -4.931 11.768 8.419 756 HD12 LEU 89 2HD1 LEU 89 -6.678 11.686 8.666 757 HD13 LEU 89 3HD1 LEU 89 -6.002 12.607 7.303 758 HD21 LEU 89 1HD2 LEU 89 -6.243 9.183 8.776 759 HD22 LEU 89 2HD2 LEU 89 -4.549 9.322 8.240 760 HD23 LEU 89 3HD2 LEU 89 -5.696 8.331 7.332 761 H THR 90 H THR 90 -5.721 12.760 5.084 762 HA THR 90 HA THR 90 -5.823 12.299 2.176 763 HB THR 90 HB THR 90 -4.093 14.361 3.524 764 HG1 THR 90 1HG THR 90 -5.957 15.765 3.101 765 HG21 THR 90 1HG2 THR 90 -4.564 15.545 1.382 766 HG22 THR 90 2HG2 THR 90 -5.600 14.192 0.868 767 HG23 THR 90 3HG2 THR 90 -3.850 13.957 1.070 768 H MET 91 H MET 91 -3.827 11.679 1.022 769 HA MET 91 HA MET 91 -2.540 9.552 2.302 770 HB2 MET 91 1HB MET 91 -2.116 11.065 -0.279 771 HB3 MET 91 2HB MET 91 -0.810 10.012 0.251 772 HG2 MET 91 1HG MET 91 -3.684 9.152 -0.251 773 HG3 MET 91 2HG MET 91 -2.283 8.867 -1.285 774 HE1 MET 91 1HE MET 91 -3.717 6.251 2.091 775 HE2 MET 91 2HE MET 91 -4.017 7.999 2.119 776 HE3 MET 91 3HE MET 91 -4.606 7.018 0.759 777 H GLY 92 H GLY 92 -1.265 12.866 1.695 778 HA2 GLY 92 1HA GLY 92 1.294 12.462 2.804 779 HA3 GLY 92 2HA GLY 92 0.415 13.995 2.798 780 H GLN 93 H GLN 93 -1.737 13.425 4.407 781 HA GLN 93 HA GLN 93 -0.799 13.816 7.031 782 HB2 GLN 93 1HB GLN 93 -3.418 13.276 5.696 783 HB3 GLN 93 2HB GLN 93 -3.334 12.781 7.372 784 HG2 GLN 93 1HG GLN 93 -2.440 15.557 6.651 785 HG3 GLN 93 2HG GLN 93 -4.157 15.186 6.705 786 HE21 GLN 93 1HE2 GLN 93 -4.311 14.942 10.264 787 HE22 GLN 93 2HE2 GLN 93 -5.168 14.693 8.743 788 H LEU 94 H LEU 94 -2.204 10.875 5.569 789 HA LEU 94 HA LEU 94 -1.946 9.197 7.851 790 HB2 LEU 94 1HB LEU 94 -3.455 8.822 6.025 791 HB3 LEU 94 2HB LEU 94 -2.151 8.543 4.878 792 HG LEU 94 HG LEU 94 -2.615 6.867 7.383 793 HD11 LEU 94 1HD1 LEU 94 -4.657 6.818 6.002 794 HD12 LEU 94 2HD1 LEU 94 -3.831 5.263 5.980 795 HD13 LEU 94 3HD1 LEU 94 -3.692 6.350 4.576 796 HD21 LEU 94 1HD2 LEU 94 -1.490 5.069 6.060 797 HD22 LEU 94 2HD2 LEU 94 -0.418 6.402 6.377 798 HD23 LEU 94 3HD2 LEU 94 -1.156 6.251 4.766 799 H TYR 95 H TYR 95 0.173 9.566 5.009 800 HA TYR 95 HA TYR 95 2.172 7.736 5.718 801 HB2 TYR 95 2HB TYR 95 1.981 8.697 3.510 802 HB3 TYR 95 3HB TYR 95 2.191 10.330 4.129 803 HD1 TYR 95 1HD TYR 95 4.151 7.069 4.299 804 HD2 TYR 95 2HD TYR 95 4.163 11.328 3.544 805 HE1 TYR 95 1HE TYR 95 6.482 6.921 3.464 806 HE2 TYR 95 2HE TYR 95 6.490 11.191 2.754 807 HH TYR 95 HH TYR 95 7.911 9.676 1.764 808 H GLU 96 H GLU 96 1.859 11.250 6.561 809 HA GLU 96 HA GLU 96 4.348 11.387 7.937 810 HB2 GLU 96 1HB GLU 96 2.835 13.248 7.034 811 HB3 GLU 96 2HB GLU 96 1.904 13.104 8.521 812 HG2 GLU 96 1HG GLU 96 3.934 13.634 9.832 813 HG3 GLU 96 2HG GLU 96 4.905 13.642 8.351 814 H LYS 97 H LYS 97 1.067 10.488 9.075 815 HA LYS 97 HA LYS 97 2.105 10.289 11.831 816 HB2 LYS 97 1HB LYS 97 -0.078 10.045 12.605 817 HB3 LYS 97 2HB LYS 97 -0.160 11.246 11.333 818 HG2 LYS 97 1HG LYS 97 -1.956 10.005 10.623 819 HG3 LYS 97 2HG LYS 97 -0.736 9.064 9.868 820 HD2 LYS 97 1HD LYS 97 -2.149 7.492 10.931 821 HD3 LYS 97 2HD LYS 97 -0.687 7.561 11.912 822 HE2 LYS 97 1HE LYS 97 -2.382 7.483 13.466 823 HE3 LYS 97 2HE LYS 97 -1.959 9.200 13.430 824 HZ1 LYS 97 1HZ LYS 97 -4.309 8.909 13.383 825 HZ2 LYS 97 2HZ LYS 97 -4.263 7.933 12.062 826 HZ3 LYS 97 3HZ LYS 97 -3.864 9.548 11.956 827 H GLU 98 H GLU 98 1.581 8.049 9.125 828 HA GLU 98 HA GLU 98 1.860 5.794 11.079 829 HB2 GLU 98 1HB GLU 98 1.072 5.778 8.148 830 HB3 GLU 98 2HB GLU 98 1.146 4.395 9.247 831 HG2 GLU 98 1HG GLU 98 -0.544 5.704 10.708 832 HG3 GLU 98 2HG GLU 98 -0.804 6.715 9.270 833 H LYS 99 H LYS 99 3.900 7.642 9.107 834 HA LYS 99 HA LYS 99 5.481 5.959 7.704 835 HB2 LYS 99 1HB LYS 99 5.732 8.586 8.848 836 HB3 LYS 99 2HB LYS 99 7.162 7.734 9.318 837 HG2 LYS 99 1HG LYS 99 7.112 7.088 6.647 838 HG3 LYS 99 2HG LYS 99 6.327 8.675 6.623 839 HD2 LYS 99 1HD LYS 99 9.054 7.938 7.739 840 HD3 LYS 99 2HD LYS 99 8.735 8.976 6.345 841 HE2 LYS 99 1HE LYS 99 7.895 10.748 7.742 842 HE3 LYS 99 2HE LYS 99 7.746 9.688 9.136 843 HZ1 LYS 99 1HZ LYS 99 10.266 10.621 7.971 844 HZ2 LYS 99 2HZ LYS 99 10.130 9.484 9.192 845 HZ3 LYS 99 3HZ LYS 99 9.565 11.016 9.425 846 H ASP 100 H ASP 100 6.532 4.105 8.090 847 HA ASP 100 HA ASP 100 7.308 3.365 10.821 848 HB2 ASP 100 1HB ASP 100 7.387 2.006 8.120 849 HB3 ASP 100 2HB ASP 100 8.379 1.386 9.421 850 H GLU 101 H GLU 101 9.781 2.493 10.959 851 HA GLU 101 HA GLU 101 11.511 4.707 10.822 852 HB2 GLU 101 1HB GLU 101 13.212 3.135 11.541 853 HB3 GLU 101 2HB GLU 101 11.715 2.710 12.334 854 HG2 GLU 101 1HG GLU 101 11.442 1.109 10.175 855 HG3 GLU 101 2HG GLU 101 13.190 1.270 10.134 856 H ASP 102 H ASP 102 10.554 2.644 8.326 857 HA ASP 102 HA ASP 102 12.966 3.083 6.677 858 HB2 ASP 102 1HB ASP 102 10.858 0.986 6.887 859 HB3 ASP 102 2HB ASP 102 11.349 1.359 5.252 860 H GLY 103 H GLY 103 10.355 4.891 7.222 861 HA2 GLY 103 1HA GLY 103 9.341 6.540 5.954 862 HA3 GLY 103 2HA GLY 103 10.681 6.384 4.832 863 H PHE 104 H PHE 104 8.439 3.749 5.627 864 HA PHE 104 HA PHE 104 7.199 3.899 2.964 865 HB2 PHE 104 2HB PHE 104 7.780 1.790 2.366 866 HB3 PHE 104 3HB PHE 104 9.196 2.122 3.340 867 HD1 PHE 104 1HD PHE 104 6.768 -0.270 2.684 868 HD2 PHE 104 2HD PHE 104 8.758 1.569 6.030 869 HE1 PHE 104 1HE PHE 104 6.228 -2.233 4.078 870 HE2 PHE 104 2HE PHE 104 8.172 -0.382 7.444 871 HZ PHE 104 HZ PHE 104 6.914 -2.278 6.489 872 H LEU 105 H LEU 105 5.216 2.530 2.897 873 HA LEU 105 HA LEU 105 3.861 2.420 5.547 874 HB2 LEU 105 1HB LEU 105 3.228 4.383 4.005 875 HB3 LEU 105 2HB LEU 105 2.645 3.157 2.875 876 HG LEU 105 HG LEU 105 1.198 2.325 4.922 877 HD11 LEU 105 1HD1 LEU 105 2.370 3.811 6.581 878 HD12 LEU 105 2HD1 LEU 105 0.626 4.010 6.541 879 HD13 LEU 105 3HD1 LEU 105 1.678 5.214 5.752 880 HD21 LEU 105 1HD2 LEU 105 -0.603 3.830 4.294 881 HD22 LEU 105 2HD2 LEU 105 0.276 3.307 2.863 882 HD23 LEU 105 3HD2 LEU 105 0.555 4.939 3.515 883 H TYR 106 H TYR 106 2.658 0.489 5.878 884 HA TYR 106 HA TYR 106 2.566 -1.444 3.587 885 HB2 TYR 106 2HB TYR 106 3.000 -3.251 5.035 886 HB3 TYR 106 3HB TYR 106 4.273 -2.078 5.248 887 HD1 TYR 106 1HD TYR 106 4.471 -0.779 7.417 888 HD2 TYR 106 2HD TYR 106 1.482 -3.819 6.828 889 HE1 TYR 106 1HE TYR 106 4.030 -0.802 9.824 890 HE2 TYR 106 2HE TYR 106 1.120 -3.947 9.277 891 HH TYR 106 HH TYR 106 2.435 -1.518 11.480 892 H VAL 107 H VAL 107 0.511 -1.997 3.006 893 HA VAL 107 HA VAL 107 -1.624 -1.772 5.047 894 HB VAL 107 HB VAL 107 -1.654 0.246 3.714 895 HG11 VAL 107 1HG1 VAL 107 -2.026 -1.454 1.241 896 HG12 VAL 107 2HG1 VAL 107 -2.141 0.306 1.334 897 HG13 VAL 107 3HG1 VAL 107 -0.599 -0.495 1.643 898 HG21 VAL 107 1HG2 VAL 107 -3.806 -0.698 4.473 899 HG22 VAL 107 2HG2 VAL 107 -3.968 0.236 2.986 900 HG23 VAL 107 3HG2 VAL 107 -3.991 -1.537 2.926 901 H ALA 108 H ALA 108 -2.978 -3.486 5.133 902 HA ALA 108 HA ALA 108 -2.444 -5.685 3.220 903 HB1 ALA 108 1HB ALA 108 -3.469 -7.117 4.959 904 HB2 ALA 108 2HB ALA 108 -2.065 -6.213 5.569 905 HB3 ALA 108 3HB ALA 108 -3.718 -5.670 5.955 906 H TYR 109 H TYR 109 -4.392 -6.972 2.500 907 HA TYR 109 HA TYR 109 -6.961 -5.574 2.731 908 HB2 TYR 109 2HB TYR 109 -7.436 -5.457 0.455 909 HB3 TYR 109 3HB TYR 109 -5.841 -4.769 0.621 910 HD1 TYR 109 1HD TYR 109 -7.803 -7.607 -0.739 911 HD2 TYR 109 2HD TYR 109 -3.930 -5.727 -0.498 912 HE1 TYR 109 1HE TYR 109 -7.104 -8.798 -2.796 913 HE2 TYR 109 2HE TYR 109 -3.259 -6.867 -2.591 914 HH TYR 109 HH TYR 109 -5.213 -9.342 -4.262 915 H SER 110 H SER 110 -8.851 -6.883 2.107 916 HA SER 110 HA SER 110 -8.328 -9.745 1.682 917 HB2 SER 110 1HB SER 110 -9.593 -10.487 3.614 918 HB3 SER 110 2HB SER 110 -8.217 -9.515 4.152 919 HG SER 110 HG SER 110 -10.216 -9.002 5.218 920 H GLY 111 H GLY 111 -10.293 -10.907 1.163 921 HA2 GLY 111 1HA GLY 111 -12.411 -9.169 0.029 922 HA3 GLY 111 2HA GLY 111 -11.838 -10.666 -0.720 923 H GLU 112 H GLU 112 -12.360 -10.237 2.804 924 HA GLU 112 HA GLU 112 -14.912 -11.629 2.791 925 HB2 GLU 112 1HB GLU 112 -14.101 -13.468 4.176 926 HB3 GLU 112 2HB GLU 112 -13.274 -13.443 2.636 927 HG2 GLU 112 1HG GLU 112 -11.388 -12.121 3.949 928 HG3 GLU 112 2HG GLU 112 -12.165 -12.779 5.384 929 H ASN 113 H ASN 113 -16.020 -11.122 4.669 930 HA ASN 113 HA ASN 113 -15.208 -8.744 6.102 931 HB2 ASN 113 1HB ASN 113 -17.552 -9.071 5.692 932 HB3 ASN 113 2HB ASN 113 -17.508 -10.706 6.357 933 HD21 ASN 113 1HD2 ASN 113 -17.212 -7.755 9.202 934 HD22 ASN 113 2HD2 ASN 113 -16.305 -7.527 7.726 935 H THR 114 H THR 114 -15.455 -12.214 7.012 936 HA THR 114 HA THR 114 -13.802 -11.700 9.424 937 HB THR 114 HB THR 114 -15.059 -13.948 10.105 938 HG1 THR 114 1HG THR 114 -17.067 -14.129 9.311 939 HG21 THR 114 1HG2 THR 114 -16.327 -11.187 10.266 940 HG22 THR 114 2HG2 THR 114 -15.121 -11.857 11.383 941 HG23 THR 114 3HG2 THR 114 -16.732 -12.585 11.298 942 H PHE 115 H PHE 115 -12.165 -13.073 9.805 943 HA PHE 115 HA PHE 115 -11.375 -14.949 7.639 944 HB2 PHE 115 2HB PHE 115 -9.039 -14.548 8.417 945 HB3 PHE 115 3HB PHE 115 -9.834 -13.189 7.661 946 HD1 PHE 115 1HD PHE 115 -8.989 -14.601 11.073 947 HD2 PHE 115 2HD PHE 115 -9.933 -11.088 8.737 948 HE1 PHE 115 1HE PHE 115 -8.622 -13.166 13.055 949 HE2 PHE 115 2HE PHE 115 -9.516 -9.685 10.713 950 HZ PHE 115 HZ PHE 115 -8.872 -10.704 12.889 951 H GLY 116 H GLY 116 -13.093 -15.239 10.234 952 HA2 GLY 116 1HA GLY 116 -12.281 -17.846 11.020 953 HA3 GLY 116 2HA GLY 116 -11.900 -16.626 12.267 954 H1 GLY 330 H GLY 330 23.296 -8.181 7.226 955 HA2 GLY 330 1HA GLY 330 23.461 -10.589 6.803 956 HA3 GLY 330 2HA GLY 330 21.839 -10.491 6.072 957 H ALA 331 H ALA 331 22.788 -11.344 4.077 958 HA ALA 331 HA ALA 331 23.866 -9.220 2.331 959 HB1 ALA 331 1HB ALA 331 25.558 -10.743 1.384 960 HB2 ALA 331 2HB ALA 331 25.907 -10.377 3.088 961 HB3 ALA 331 3HB ALA 331 25.195 -11.952 2.635 962 H MET 332 H MET 332 21.633 -9.279 1.774 963 HA MET 332 HA MET 332 20.731 -11.691 0.246 964 HB2 MET 332 1HB MET 332 19.158 -9.706 1.924 965 HB3 MET 332 2HB MET 332 18.390 -10.807 0.791 966 HG2 MET 332 1HG MET 332 20.079 -11.604 3.172 967 HG3 MET 332 2HG MET 332 18.328 -11.723 3.036 968 HE1 MET 332 1HE MET 332 17.052 -13.375 1.329 969 HE2 MET 332 2HE MET 332 18.062 -12.883 -0.054 970 HE3 MET 332 3HE MET 332 17.895 -14.598 0.347 971 H GLU 333 H GLU 333 22.273 -9.055 -0.562 972 HA GLU 333 HA GLU 333 20.307 -8.198 -2.652 973 HB2 GLU 333 1HB GLU 333 22.818 -6.876 -1.634 974 HB3 GLU 333 2HB GLU 333 21.802 -6.264 -2.944 975 HG2 GLU 333 1HG GLU 333 20.002 -5.755 -1.556 976 HG3 GLU 333 2HG GLU 333 20.531 -6.819 -0.252 977 H ILE 334 H ILE 334 21.139 -10.690 -2.965 978 HA ILE 334 HA ILE 334 23.509 -10.803 -4.717 979 HB ILE 334 HB ILE 334 21.483 -12.987 -4.170 980 HG12 ILE 334 1HG1 ILE 334 22.212 -12.350 -1.931 981 HG13 ILE 334 2HG1 ILE 334 22.886 -13.903 -2.369 982 HG21 ILE 334 1HG2 ILE 334 22.958 -13.516 -5.994 983 HG22 ILE 334 2HG2 ILE 334 24.394 -13.161 -5.003 984 HG23 ILE 334 3HG2 ILE 334 23.347 -14.538 -4.615 985 HD11 ILE 334 1HD1 ILE 334 24.518 -12.512 -1.173 986 HD12 ILE 334 2HD1 ILE 334 25.087 -12.859 -2.814 987 HD13 ILE 334 3HD1 ILE 334 24.408 -11.260 -2.421 988 H ILE 335 H ILE 335 23.079 -11.499 -6.944 989 HA ILE 335 HA ILE 335 21.046 -10.015 -8.234 990 HB ILE 335 HB ILE 335 21.785 -11.185 -10.296 991 HG12 ILE 335 1HG1 ILE 335 23.705 -12.758 -8.532 992 HG13 ILE 335 2HG1 ILE 335 22.196 -13.423 -9.145 993 HG21 ILE 335 1HG2 ILE 335 24.227 -10.393 -10.085 994 HG22 ILE 335 2HG2 ILE 335 22.944 -9.226 -9.705 995 HG23 ILE 335 3HG2 ILE 335 23.861 -10.004 -8.422 996 HD11 ILE 335 1HD1 ILE 335 23.974 -14.127 -10.593 997 HD12 ILE 335 2HD1 ILE 335 22.943 -12.989 -11.477 998 HD13 ILE 335 3HD1 ILE 335 24.521 -12.466 -10.841 999 H HIS 336 H HIS 336 20.468 -12.897 -6.575 1000 HA HIS 336 HA HIS 336 18.156 -13.613 -8.319 1001 HB2 HIS 336 1HB HIS 336 19.761 -15.326 -6.390 1002 HB3 HIS 336 2HB HIS 336 18.327 -15.822 -7.285 1003 HD1 HIS 336 HD1 HIS 336 21.447 -16.992 -7.577 1004 HD2 HIS 336 HD2 HIS 336 19.212 -14.532 -10.179 1005 HE1 HIS 336 HE1 HIS 336 22.382 -17.366 -9.925 1006 H GLU 337 H GLU 337 17.339 -11.590 -7.143 1007 HA GLU 337 HA GLU 337 16.617 -11.775 -4.353 1008 HB2 GLU 337 1HB GLU 337 15.367 -10.161 -6.625 1009 HB3 GLU 337 2HB GLU 337 15.073 -9.909 -4.905 1010 HG2 GLU 337 1HG GLU 337 17.360 -9.140 -4.568 1011 HG3 GLU 337 2HG GLU 337 17.792 -9.563 -6.237 1012 H ASP 338 H ASP 338 14.917 -12.959 -3.476 1013 HA ASP 338 HA ASP 338 13.252 -14.685 -5.083 1014 HB2 ASP 338 1HB ASP 338 13.840 -15.272 -2.793 1015 HB3 ASP 338 2HB ASP 338 13.085 -13.797 -2.175 1016 H ASN 339 H ASN 339 12.509 -11.836 -3.056 1017 HA ASN 339 HA ASN 339 9.922 -11.357 -4.365 1018 HB2 ASN 339 1HB ASN 339 11.519 -9.859 -2.238 1019 HB3 ASN 339 2HB ASN 339 9.977 -9.331 -2.929 1020 HD21 ASN 339 1HD2 ASN 339 9.140 -12.777 -0.960 1021 HD22 ASN 339 2HD2 ASN 339 10.075 -12.833 -2.385 1022 H GLU 340 H GLU 340 9.960 -10.324 -6.369 1023 HA GLU 340 HA GLU 340 12.280 -8.937 -7.245 1024 HB2 GLU 340 1HB GLU 340 10.471 -10.265 -8.535 1025 HB3 GLU 340 2HB GLU 340 9.616 -8.716 -8.646 1026 HG2 GLU 340 1HG GLU 340 11.527 -7.715 -9.777 1027 HG3 GLU 340 2HG GLU 340 12.536 -9.111 -9.404 1028 H TRP 341 H TRP 341 9.146 -7.589 -6.073 1029 HA TRP 341 HA TRP 341 8.470 -5.529 -5.601 1030 HB2 TRP 341 2HB TRP 341 11.327 -5.238 -4.677 1031 HB3 TRP 341 3HB TRP 341 10.026 -4.159 -4.265 1032 HD1 TRP 341 HD1 TRP 341 11.856 -6.674 -2.678 1033 HE1 TRP 341 1HE TRP 341 10.640 -7.954 -0.894 1034 HE3 TRP 341 3HE TRP 341 7.119 -5.114 -3.779 1035 HZ2 TRP 341 2HZ TRP 341 7.850 -8.295 -0.025 1036 HZ3 TRP 341 3HZ TRP 341 5.197 -5.891 -2.430 1037 HH2 TRP 341 HH2 TRP 341 5.543 -7.489 -0.561 1038 H GLY 342 H GLY 342 8.424 -5.366 -8.167 1039 HA2 GLY 342 1HA GLY 342 10.144 -3.267 -9.251 1040 HA3 GLY 342 2HA GLY 342 8.775 -4.044 -10.064 1041 H ILE 343 H ILE 343 9.621 -1.107 -9.460 1042 HA ILE 343 HA ILE 343 7.473 -0.010 -7.849 1043 HB ILE 343 HB ILE 343 9.392 1.482 -9.677 1044 HG12 ILE 343 1HG1 ILE 343 9.860 0.779 -6.730 1045 HG13 ILE 343 2HG1 ILE 343 10.704 0.045 -8.093 1046 HG21 ILE 343 1HG2 ILE 343 7.455 2.807 -8.779 1047 HG22 ILE 343 2HG2 ILE 343 7.948 2.369 -7.129 1048 HG23 ILE 343 3HG2 ILE 343 8.982 3.381 -8.165 1049 HD11 ILE 343 1HD1 ILE 343 10.946 2.952 -7.231 1050 HD12 ILE 343 2HD1 ILE 343 12.192 1.691 -7.271 1051 HD13 ILE 343 3HD1 ILE 343 11.549 2.314 -8.780 1052 H GLU 344 H GLU 344 5.600 0.906 -8.372 1053 HA GLU 344 HA GLU 344 4.876 1.400 -11.193 1054 HB2 GLU 344 1HB GLU 344 3.306 -0.003 -9.005 1055 HB3 GLU 344 2HB GLU 344 2.551 0.629 -10.465 1056 HG2 GLU 344 1HG GLU 344 4.646 -1.584 -10.277 1057 HG3 GLU 344 2HG GLU 344 2.931 -1.779 -10.639 1058 H LEU 345 H LEU 345 3.632 3.295 -11.521 1059 HA LEU 345 HA LEU 345 3.423 5.140 -9.236 1060 HB2 LEU 345 1HB LEU 345 4.876 5.359 -11.585 1061 HB3 LEU 345 2HB LEU 345 3.362 6.097 -12.070 1062 HG LEU 345 HG LEU 345 3.568 7.386 -9.807 1063 HD11 LEU 345 1HD1 LEU 345 6.474 6.630 -10.300 1064 HD12 LEU 345 2HD1 LEU 345 5.466 5.970 -9.021 1065 HD13 LEU 345 3HD1 LEU 345 5.869 7.700 -9.017 1066 HD21 LEU 345 1HD2 LEU 345 5.050 9.142 -10.873 1067 HD22 LEU 345 2HD2 LEU 345 3.755 8.580 -11.934 1068 HD23 LEU 345 3HD2 LEU 345 5.413 7.984 -12.174 1069 H VAL 346 H VAL 346 1.355 5.317 -8.490 1070 HA VAL 346 HA VAL 346 -0.848 5.329 -10.528 1071 HB VAL 346 HB VAL 346 -0.748 3.988 -7.841 1072 HG11 VAL 346 1HG1 VAL 346 -3.124 4.137 -9.698 1073 HG12 VAL 346 2HG1 VAL 346 -2.998 3.239 -8.168 1074 HG13 VAL 346 3HG1 VAL 346 -2.971 5.016 -8.175 1075 HG21 VAL 346 1HG2 VAL 346 -1.361 2.888 -10.656 1076 HG22 VAL 346 2HG2 VAL 346 0.203 2.700 -9.894 1077 HG23 VAL 346 3HG2 VAL 346 -1.211 1.923 -9.179 1078 H SER 347 H SER 347 -2.020 7.154 -10.625 1079 HA SER 347 HA SER 347 -2.583 8.715 -8.167 1080 HB2 SER 347 1HB SER 347 -2.230 10.771 -9.670 1081 HB3 SER 347 2HB SER 347 -0.831 10.012 -8.899 1082 HG SER 347 HG SER 347 -1.783 9.510 -11.547 1083 H GLU 348 H GLU 348 -4.739 8.471 -8.090 1084 HA GLU 348 HA GLU 348 -6.914 8.771 -8.560 1085 HB2 GLU 348 1HB GLU 348 -6.200 10.865 -9.742 1086 HB3 GLU 348 2HB GLU 348 -6.179 9.937 -11.242 1087 HG2 GLU 348 1HG GLU 348 -8.725 9.385 -10.390 1088 HG3 GLU 348 2HG GLU 348 -8.501 10.944 -9.666 Start of MODEL 16 1 H1 MET 1 H MET 1 5.909 -16.262 8.739 2 HA MET 1 HA MET 1 4.177 -15.939 6.372 3 HB2 MET 1 1HB MET 1 3.634 -17.211 9.003 4 HB3 MET 1 2HB MET 1 2.360 -16.171 8.399 5 HG2 MET 1 1HG MET 1 3.560 -18.133 6.468 6 HG3 MET 1 2HG MET 1 2.516 -18.732 7.749 7 HE1 MET 1 1HE MET 1 1.105 -15.862 4.384 8 HE2 MET 1 2HE MET 1 2.103 -15.232 5.703 9 HE3 MET 1 3HE MET 1 2.757 -16.455 4.584 10 H GLY 2 H GLY 2 6.131 -13.995 7.778 11 HA2 GLY 2 1HA GLY 2 4.291 -11.840 8.625 12 HA3 GLY 2 2HA GLY 2 6.045 -11.950 8.872 13 H TRP 3 H TRP 3 6.580 -10.038 7.770 14 HA TRP 3 HA TRP 3 5.610 -9.441 5.117 15 HB2 TRP 3 2HB TRP 3 7.763 -8.338 6.930 16 HB3 TRP 3 3HB TRP 3 7.430 -7.658 5.343 17 HD1 TRP 3 HD1 TRP 3 6.824 -6.862 8.718 18 HE1 TRP 3 1HE TRP 3 4.688 -5.518 9.142 19 HE3 TRP 3 3HE TRP 3 4.442 -7.764 4.307 20 HZ2 TRP 3 2HZ TRP 3 2.164 -5.120 7.829 21 HZ3 TRP 3 3HZ TRP 3 2.203 -6.975 3.911 22 HH2 TRP 3 HH2 TRP 3 0.980 -5.572 5.638 23 H MET 4 H MET 4 6.371 -10.165 3.252 24 HA MET 4 HA MET 4 8.404 -12.200 3.092 25 HB2 MET 4 1HB MET 4 7.529 -10.348 0.834 26 HB3 MET 4 2HB MET 4 8.260 -11.933 0.668 27 HG2 MET 4 1HG MET 4 5.526 -11.344 1.821 28 HG3 MET 4 2HG MET 4 5.844 -11.862 0.172 29 HE1 MET 4 1HE MET 4 3.876 -14.791 1.751 30 HE2 MET 4 2HE MET 4 3.685 -13.029 1.895 31 HE3 MET 4 3HE MET 4 4.053 -13.760 0.319 32 H PHE 5 H PHE 5 8.480 -8.714 2.182 33 HA PHE 5 HA PHE 5 11.205 -8.680 1.536 34 HB2 PHE 5 2HB PHE 5 11.157 -6.292 1.776 35 HB3 PHE 5 3HB PHE 5 9.713 -6.848 0.954 36 HD1 PHE 5 1HD PHE 5 11.068 -5.420 4.092 37 HD2 PHE 5 2HD PHE 5 7.494 -6.666 2.012 38 HE1 PHE 5 1HE PHE 5 9.678 -4.291 5.790 39 HE2 PHE 5 2HE PHE 5 6.125 -5.548 3.740 40 HZ PHE 5 HZ PHE 5 7.192 -4.315 5.601 41 H LYS 6 H LYS 6 9.715 -8.470 4.807 42 HA LYS 6 HA LYS 6 12.119 -7.577 6.084 43 HB2 LYS 6 1HB LYS 6 9.747 -7.620 6.991 44 HB3 LYS 6 2HB LYS 6 9.989 -9.346 7.344 45 HG2 LYS 6 1HG LYS 6 12.052 -8.609 8.695 46 HG3 LYS 6 2HG LYS 6 11.490 -6.939 8.455 47 HD2 LYS 6 1HD LYS 6 9.219 -7.802 9.444 48 HD3 LYS 6 2HD LYS 6 10.152 -9.228 9.936 49 HE2 LYS 6 1HE LYS 6 11.815 -7.480 10.954 50 HE3 LYS 6 2HE LYS 6 10.479 -6.328 10.792 51 HZ1 LYS 6 1HZ LYS 6 9.146 -7.939 12.141 52 HZ2 LYS 6 2HZ LYS 6 10.432 -7.336 12.953 53 HZ3 LYS 6 3HZ LYS 6 10.534 -8.843 12.327 54 H GLU 7 H GLU 7 10.812 -10.800 5.300 55 HA GLU 7 HA GLU 7 12.856 -12.274 6.679 56 HB2 GLU 7 1HB GLU 7 10.644 -13.114 5.764 57 HB3 GLU 7 2HB GLU 7 11.311 -13.036 4.147 58 HG2 GLU 7 1HG GLU 7 12.636 -14.645 6.377 59 HG3 GLU 7 2HG GLU 7 11.311 -15.276 5.412 60 H ASP 8 H ASP 8 12.560 -11.134 3.342 61 HA ASP 8 HA ASP 8 15.101 -11.983 2.381 62 HB2 ASP 8 1HB ASP 8 13.000 -10.006 1.476 63 HB3 ASP 8 2HB ASP 8 14.447 -10.226 0.528 64 H HIS 9 H HIS 9 14.187 -8.518 2.651 65 HA HIS 9 HA HIS 9 16.552 -7.677 4.121 66 HB2 HIS 9 1HB HIS 9 17.170 -6.118 2.131 67 HB3 HIS 9 2HB HIS 9 17.674 -7.797 2.057 68 HD1 HIS 9 HD1 HIS 9 14.125 -6.811 1.087 69 HD2 HIS 9 HD2 HIS 9 17.778 -7.963 -0.636 70 HE1 HIS 9 HE1 HIS 9 13.596 -7.467 -1.330 71 H SER 10 H SER 10 15.842 -5.790 5.324 72 HA SER 10 HA SER 10 13.435 -4.417 4.174 73 HB2 SER 10 1HB SER 10 12.723 -3.923 6.416 74 HB3 SER 10 2HB SER 10 12.898 -5.659 6.173 75 HG SER 10 HG SER 10 14.200 -3.961 7.868 76 H LEU 11 H LEU 11 15.873 -3.493 6.568 77 HA LEU 11 HA LEU 11 15.651 -0.789 6.204 78 HB2 LEU 11 1HB LEU 11 17.950 -0.544 7.110 79 HB3 LEU 11 2HB LEU 11 16.830 -1.448 8.097 80 HG LEU 11 HG LEU 11 18.572 -3.102 6.287 81 HD11 LEU 11 1HD1 LEU 11 19.709 -1.705 8.740 82 HD12 LEU 11 2HD1 LEU 11 20.180 -1.405 7.052 83 HD13 LEU 11 3HD1 LEU 11 20.499 -2.981 7.781 84 HD21 LEU 11 1HD2 LEU 11 16.954 -4.121 7.896 85 HD22 LEU 11 2HD2 LEU 11 17.839 -3.352 9.233 86 HD23 LEU 11 3HD2 LEU 11 18.625 -4.577 8.217 87 H GLU 12 H GLU 12 18.218 -2.689 4.574 88 HA GLU 12 HA GLU 12 19.214 -0.465 3.157 89 HB2 GLU 12 1HB GLU 12 19.722 -3.308 3.253 90 HB3 GLU 12 2HB GLU 12 19.553 -2.877 1.568 91 HG2 GLU 12 1HG GLU 12 21.485 -1.723 3.600 92 HG3 GLU 12 2HG GLU 12 21.873 -2.686 2.169 93 H HIS 13 H HIS 13 17.052 -2.995 1.953 94 HA HIS 13 HA HIS 13 16.519 -2.015 -0.562 95 HB2 HIS 13 1HB HIS 13 15.869 -4.221 0.600 96 HB3 HIS 13 2HB HIS 13 14.436 -3.385 1.191 97 HD1 HIS 13 HD1 HIS 13 15.713 -5.296 -1.744 98 HD2 HIS 13 HD2 HIS 13 12.723 -2.447 -0.873 99 HE1 HIS 13 HE1 HIS 13 14.021 -5.453 -3.613 100 H ARG 14 H ARG 14 14.681 -1.232 2.465 101 HA ARG 14 HA ARG 14 12.900 0.577 1.113 102 HB2 ARG 14 1HB ARG 14 13.372 -0.183 3.967 103 HB3 ARG 14 2HB ARG 14 12.761 1.434 3.681 104 HG2 ARG 14 1HG ARG 14 10.904 -0.021 4.034 105 HG3 ARG 14 2HG ARG 14 10.858 0.613 2.406 106 HD2 ARG 14 1HD ARG 14 12.232 -2.028 2.669 107 HD3 ARG 14 2HD ARG 14 10.544 -2.015 3.190 108 HE ARG 14 HE ARG 14 10.948 -0.769 0.564 109 HH11 ARG 14 1HH1 ARG 14 10.078 -3.673 2.324 110 HH12 ARG 14 2HH1 ARG 14 9.399 -4.498 0.972 111 HH21 ARG 14 1HH2 ARG 14 10.125 -1.767 -1.202 112 HH22 ARG 14 2HH2 ARG 14 9.462 -3.400 -1.173 113 H CYS 15 H CYS 15 16.021 1.139 2.894 114 HA CYS 15 HA CYS 15 15.781 3.987 2.969 115 HB2 CYS 15 2HB CYS 15 18.167 2.087 2.963 116 HB3 CYS 15 3HB CYS 15 18.354 3.851 3.036 117 HG CYS 15 HG CYS 15 18.565 2.591 5.427 118 H VAL 16 H VAL 16 17.393 1.794 0.582 119 HA VAL 16 HA VAL 16 18.146 3.866 -1.209 120 HB VAL 16 HB VAL 16 17.582 0.903 -1.688 121 HG11 VAL 16 1HG1 VAL 16 18.888 3.011 -3.458 122 HG12 VAL 16 2HG1 VAL 16 19.094 1.250 -3.702 123 HG13 VAL 16 3HG1 VAL 16 17.499 1.987 -3.847 124 HG21 VAL 16 1HG2 VAL 16 20.182 2.438 -1.232 125 HG22 VAL 16 2HG2 VAL 16 19.409 1.362 -0.059 126 HG23 VAL 16 3HG2 VAL 16 20.019 0.679 -1.552 127 H GLU 17 H GLU 17 15.222 1.771 -1.145 128 HA GLU 17 HA GLU 17 13.939 2.754 -3.411 129 HB2 GLU 17 1HB GLU 17 13.192 0.769 -2.306 130 HB3 GLU 17 2HB GLU 17 12.921 1.635 -0.776 131 HG2 GLU 17 1HG GLU 17 11.117 2.890 -1.733 132 HG3 GLU 17 2HG GLU 17 11.361 2.114 -3.321 133 H SER 18 H SER 18 13.682 3.955 -0.025 134 HA SER 18 HA SER 18 11.859 6.044 -0.560 135 HB2 SER 18 1HB SER 18 13.989 5.870 1.620 136 HB3 SER 18 2HB SER 18 12.572 6.937 1.616 137 HG SER 18 HG SER 18 12.696 4.116 1.816 138 H ALA 19 H ALA 19 15.506 6.163 -0.410 139 HA ALA 19 HA ALA 19 15.730 8.906 -1.013 140 HB1 ALA 19 1HB ALA 19 18.018 8.338 -1.731 141 HB2 ALA 19 2HB ALA 19 17.583 7.470 -0.248 142 HB3 ALA 19 3HB ALA 19 17.574 6.612 -1.801 143 H LYS 20 H LYS 20 15.444 6.125 -3.195 144 HA LYS 20 HA LYS 20 15.860 7.490 -5.690 145 HB2 LYS 20 1HB LYS 20 14.436 4.894 -4.942 146 HB3 LYS 20 2HB LYS 20 14.615 5.419 -6.595 147 HG2 LYS 20 1HG LYS 20 17.175 5.424 -5.103 148 HG3 LYS 20 2HG LYS 20 16.412 3.844 -5.128 149 HD2 LYS 20 1HD LYS 20 16.700 5.344 -7.733 150 HD3 LYS 20 2HD LYS 20 18.109 4.606 -7.000 151 HE2 LYS 20 1HE LYS 20 17.096 3.131 -8.673 152 HE3 LYS 20 2HE LYS 20 17.164 2.402 -7.066 153 HZ1 LYS 20 1HZ LYS 20 15.080 2.041 -8.284 154 HZ2 LYS 20 2HZ LYS 20 14.691 3.629 -8.148 155 HZ3 LYS 20 3HZ LYS 20 14.887 2.650 -6.797 156 H ILE 21 H ILE 21 12.889 6.587 -3.859 157 HA ILE 21 HA ILE 21 11.053 7.721 -5.776 158 HB ILE 21 HB ILE 21 10.863 6.866 -2.883 159 HG12 ILE 21 1HG1 ILE 21 9.616 5.610 -5.369 160 HG13 ILE 21 2HG1 ILE 21 11.231 5.190 -4.839 161 HG21 ILE 21 1HG2 ILE 21 8.644 8.010 -4.610 162 HG22 ILE 21 2HG2 ILE 21 8.320 6.960 -3.208 163 HG23 ILE 21 3HG2 ILE 21 9.139 8.492 -2.991 164 HD11 ILE 21 1HD1 ILE 21 9.754 3.562 -3.916 165 HD12 ILE 21 2HD1 ILE 21 10.314 4.620 -2.582 166 HD13 ILE 21 3HD1 ILE 21 8.704 4.802 -3.236 167 H ARG 22 H ARG 22 12.434 8.990 -2.691 168 HA ARG 22 HA ARG 22 10.854 11.356 -2.732 169 HB2 ARG 22 1HB ARG 22 13.488 10.602 -1.423 170 HB3 ARG 22 2HB ARG 22 12.744 12.174 -1.171 171 HG2 ARG 22 1HG ARG 22 11.305 9.543 -0.579 172 HG3 ARG 22 2HG ARG 22 12.293 10.390 0.603 173 HD2 ARG 22 1HD ARG 22 9.808 11.519 -0.762 174 HD3 ARG 22 2HD ARG 22 9.907 10.895 0.898 175 HE ARG 22 HE ARG 22 11.878 12.770 0.850 176 HH11 ARG 22 1HH1 ARG 22 8.377 12.796 0.399 177 HH12 ARG 22 2HH1 ARG 22 8.178 14.486 0.694 178 HH21 ARG 22 1HH2 ARG 22 11.682 15.052 1.168 179 HH22 ARG 22 2HH2 ARG 22 10.111 15.779 1.238 180 H ALA 23 H ALA 23 14.062 10.608 -4.179 181 HA ALA 23 HA ALA 23 14.450 13.341 -5.017 182 HB1 ALA 23 1HB ALA 23 16.188 12.424 -6.482 183 HB2 ALA 23 2HB ALA 23 16.322 11.775 -4.845 184 HB3 ALA 23 3HB ALA 23 15.631 10.768 -6.146 185 H LYS 24 H LYS 24 13.067 10.462 -6.757 186 HA LYS 24 HA LYS 24 12.573 12.158 -9.114 187 HB2 LYS 24 1HB LYS 24 11.821 9.281 -8.487 188 HB3 LYS 24 2HB LYS 24 11.247 10.137 -9.923 189 HG2 LYS 24 1HG LYS 24 13.751 10.722 -10.341 190 HG3 LYS 24 2HG LYS 24 14.089 9.400 -9.234 191 HD2 LYS 24 1HD LYS 24 12.476 9.278 -11.828 192 HD3 LYS 24 2HD LYS 24 14.121 8.660 -11.597 193 HE2 LYS 24 1HE LYS 24 13.323 6.984 -10.003 194 HE3 LYS 24 2HE LYS 24 11.687 7.661 -10.059 195 HZ1 LYS 24 1HZ LYS 24 11.570 7.010 -12.399 196 HZ2 LYS 24 2HZ LYS 24 11.818 5.739 -11.437 197 HZ3 LYS 24 3HZ LYS 24 13.073 6.340 -12.299 198 H TYR 25 H TYR 25 10.476 10.970 -6.497 199 HA TYR 25 HA TYR 25 8.292 12.689 -7.471 200 HB2 TYR 25 2HB TYR 25 7.746 9.915 -6.415 201 HB3 TYR 25 3HB TYR 25 6.705 10.974 -7.344 202 HD1 TYR 25 1HD TYR 25 8.999 8.220 -7.372 203 HD2 TYR 25 2HD TYR 25 7.413 11.350 -9.878 204 HE1 TYR 25 1HE TYR 25 9.723 6.970 -9.397 205 HE2 TYR 25 2HE TYR 25 8.190 10.148 -11.889 206 HH TYR 25 HH TYR 25 9.362 8.301 -12.698 207 HA PRO 26 HA PRO 26 9.421 13.168 -2.904 208 HB2 PRO 26 2HB PRO 26 9.225 15.912 -2.814 209 HB3 PRO 26 3HB PRO 26 10.707 15.059 -3.306 210 HG2 PRO 26 2HG PRO 26 8.549 16.223 -5.085 211 HG3 PRO 26 3HG PRO 26 10.317 16.410 -5.245 212 HD2 PRO 26 2HD PRO 26 8.947 14.578 -6.697 213 HD3 PRO 26 3HD PRO 26 10.574 14.177 -6.039 214 H ASP 27 H ASP 27 6.802 14.367 -5.010 215 HA ASP 27 HA ASP 27 5.076 14.933 -2.697 216 HB2 ASP 27 1HB ASP 27 5.277 16.205 -4.970 217 HB3 ASP 27 2HB ASP 27 4.274 14.906 -5.612 218 H ARG 28 H ARG 28 6.052 12.055 -3.817 219 HA ARG 28 HA ARG 28 3.362 10.798 -3.479 220 HB2 ARG 28 1HB ARG 28 5.697 9.855 -5.206 221 HB3 ARG 28 2HB ARG 28 4.305 8.859 -4.768 222 HG2 ARG 28 1HG ARG 28 2.787 10.535 -5.774 223 HG3 ARG 28 2HG ARG 28 4.181 11.456 -6.334 224 HD2 ARG 28 1HD ARG 28 4.718 9.790 -7.958 225 HD3 ARG 28 2HD ARG 28 3.808 8.543 -7.096 226 HE ARG 28 HE ARG 28 2.042 9.010 -8.388 227 HH11 ARG 28 1HH1 ARG 28 3.814 12.121 -8.151 228 HH12 ARG 28 2HH1 ARG 28 2.535 13.010 -8.890 229 HH21 ARG 28 1HH2 ARG 28 0.491 10.236 -9.649 230 HH22 ARG 28 2HH2 ARG 28 0.643 11.947 -9.709 231 H VAL 29 H VAL 29 3.313 8.819 -2.260 232 HA VAL 29 HA VAL 29 5.602 8.635 -0.392 233 HB VAL 29 HB VAL 29 4.093 8.161 1.374 234 HG11 VAL 29 1HG1 VAL 29 3.004 10.344 1.586 235 HG12 VAL 29 2HG1 VAL 29 4.602 10.532 0.862 236 HG13 VAL 29 3HG1 VAL 29 3.139 10.633 -0.140 237 HG21 VAL 29 1HG2 VAL 29 1.770 8.562 -0.566 238 HG22 VAL 29 2HG2 VAL 29 2.247 7.017 0.187 239 HG23 VAL 29 3HG2 VAL 29 1.674 8.341 1.194 240 HA PRO 30 HA PRO 30 5.937 4.453 -1.846 241 HB2 PRO 30 2HB PRO 30 7.719 3.453 -0.044 242 HB3 PRO 30 3HB PRO 30 8.162 4.737 -1.198 243 HG2 PRO 30 2HG PRO 30 7.455 5.035 1.688 244 HG3 PRO 30 3HG PRO 30 8.762 5.836 0.782 245 HD2 PRO 30 2HD PRO 30 6.270 6.968 1.323 246 HD3 PRO 30 3HD PRO 30 7.314 7.428 -0.054 247 H VAL 31 H VAL 31 4.217 2.996 -1.684 248 HA VAL 31 HA VAL 31 3.509 2.053 1.040 249 HB VAL 31 HB VAL 31 1.759 2.572 -1.373 250 HG11 VAL 31 1HG1 VAL 31 -0.114 2.110 0.326 251 HG12 VAL 31 2HG1 VAL 31 0.856 0.696 -0.109 252 HG13 VAL 31 3HG1 VAL 31 1.130 1.531 1.440 253 HG21 VAL 31 1HG2 VAL 31 0.655 4.301 0.078 254 HG22 VAL 31 2HG2 VAL 31 1.931 4.067 1.279 255 HG23 VAL 31 3HG2 VAL 31 2.324 4.705 -0.329 256 H ILE 32 H ILE 32 3.556 -0.091 1.272 257 HA ILE 32 HA ILE 32 3.954 -1.796 -1.163 258 HB ILE 32 HB ILE 32 4.896 -2.415 1.648 259 HG12 ILE 32 1HG1 ILE 32 6.232 -0.549 0.832 260 HG13 ILE 32 2HG1 ILE 32 7.185 -2.020 0.900 261 HG21 ILE 32 1HG2 ILE 32 6.117 -4.243 0.539 262 HG22 ILE 32 2HG2 ILE 32 4.386 -4.351 0.169 263 HG23 ILE 32 3HG2 ILE 32 5.482 -3.729 -1.045 264 HD11 ILE 32 1HD1 ILE 32 6.013 -0.727 -1.595 265 HD12 ILE 32 2HD1 ILE 32 7.704 -0.717 -1.098 266 HD13 ILE 32 3HD1 ILE 32 6.968 -2.234 -1.598 267 H VAL 33 H VAL 33 2.411 -3.345 -1.506 268 HA VAL 33 HA VAL 33 0.274 -3.618 0.502 269 HB VAL 33 HB VAL 33 -0.463 -2.230 -1.219 270 HG11 VAL 33 1HG1 VAL 33 0.593 -4.271 -3.193 271 HG12 VAL 33 2HG1 VAL 33 -0.530 -2.973 -3.631 272 HG13 VAL 33 3HG1 VAL 33 1.076 -2.569 -3.025 273 HG21 VAL 33 1HG2 VAL 33 -1.582 -4.986 -1.866 274 HG22 VAL 33 2HG2 VAL 33 -2.043 -4.007 -0.455 275 HG23 VAL 33 3HG2 VAL 33 -2.375 -3.427 -2.095 276 H GLU 34 H GLU 34 -0.552 -5.580 1.012 277 HA GLU 34 HA GLU 34 0.213 -7.981 -0.610 278 HB2 GLU 34 1HB GLU 34 0.632 -7.559 2.370 279 HB3 GLU 34 2HB GLU 34 0.498 -9.156 1.655 280 HG2 GLU 34 1HG GLU 34 2.558 -7.423 0.370 281 HG3 GLU 34 2HG GLU 34 2.804 -7.850 2.063 282 H LYS 35 H LYS 35 -1.298 -9.756 -0.306 283 HA LYS 35 HA LYS 35 -3.916 -8.884 0.779 284 HB2 LYS 35 1HB LYS 35 -4.879 -10.765 -0.398 285 HB3 LYS 35 2HB LYS 35 -3.934 -9.753 -1.460 286 HG2 LYS 35 1HG LYS 35 -3.423 -11.779 -2.238 287 HG3 LYS 35 2HG LYS 35 -2.025 -11.485 -1.206 288 HD2 LYS 35 1HD LYS 35 -2.838 -13.103 0.403 289 HD3 LYS 35 2HD LYS 35 -4.457 -13.105 -0.334 290 HE2 LYS 35 1HE LYS 35 -3.284 -15.145 -0.938 291 HE3 LYS 35 2HE LYS 35 -3.579 -14.147 -2.377 292 HZ1 LYS 35 1HZ LYS 35 -1.031 -14.346 -0.899 293 HZ2 LYS 35 2HZ LYS 35 -1.279 -13.423 -2.271 294 HZ3 LYS 35 3HZ LYS 35 -1.340 -15.066 -2.308 295 H VAL 36 H VAL 36 -5.084 -10.365 2.256 296 HA VAL 36 HA VAL 36 -3.346 -11.396 4.334 297 HB VAL 36 HB VAL 36 -6.353 -11.358 3.839 298 HG11 VAL 36 1HG1 VAL 36 -5.964 -13.395 5.136 299 HG12 VAL 36 2HG1 VAL 36 -4.935 -12.501 6.283 300 HG13 VAL 36 3HG1 VAL 36 -6.669 -12.146 6.167 301 HG21 VAL 36 1HG2 VAL 36 -6.263 -9.804 5.773 302 HG22 VAL 36 2HG2 VAL 36 -4.509 -9.994 5.867 303 HG23 VAL 36 3HG2 VAL 36 -5.252 -9.221 4.448 304 H SER 37 H SER 37 -2.683 -13.504 4.649 305 HA SER 37 HA SER 37 -2.471 -15.185 2.453 306 HB2 SER 37 1HB SER 37 -2.234 -16.875 4.711 307 HB3 SER 37 2HB SER 37 -0.964 -16.138 3.740 308 HG SER 37 HG SER 37 -1.043 -14.301 5.156 309 H GLY 38 H GLY 38 -3.555 -16.834 1.557 310 HA2 GLY 38 1HA GLY 38 -5.197 -18.312 1.107 311 HA3 GLY 38 2HA GLY 38 -5.624 -18.318 2.823 312 H SER 39 H SER 39 -5.852 -15.068 1.728 313 HA SER 39 HA SER 39 -8.631 -15.140 2.044 314 HB2 SER 39 1HB SER 39 -7.147 -13.162 2.431 315 HB3 SER 39 2HB SER 39 -7.114 -12.906 0.677 316 HG SER 39 HG SER 39 -9.362 -12.978 2.431 317 H GLN 40 H GLN 40 -10.309 -14.929 0.674 318 HA GLN 40 HA GLN 40 -10.296 -16.380 -1.764 319 HB2 GLN 40 1HB GLN 40 -12.208 -15.207 0.074 320 HB3 GLN 40 2HB GLN 40 -12.668 -14.729 -1.533 321 HG2 GLN 40 1HG GLN 40 -12.120 -17.603 -0.672 322 HG3 GLN 40 2HG GLN 40 -13.716 -16.861 -0.714 323 HE21 GLN 40 1HE2 GLN 40 -12.201 -18.432 -4.093 324 HE22 GLN 40 2HE2 GLN 40 -11.863 -18.924 -2.443 325 H ILE 41 H ILE 41 -9.438 -13.105 -1.255 326 HA ILE 41 HA ILE 41 -10.414 -12.120 -3.822 327 HB ILE 41 HB ILE 41 -10.292 -10.702 -1.824 328 HG12 ILE 41 1HG1 ILE 41 -9.301 -8.684 -2.742 329 HG13 ILE 41 2HG1 ILE 41 -8.475 -9.612 -3.996 330 HG21 ILE 41 1HG2 ILE 41 -8.246 -11.570 -0.761 331 HG22 ILE 41 2HG2 ILE 41 -7.259 -10.866 -2.053 332 HG23 ILE 41 3HG2 ILE 41 -8.168 -9.816 -0.947 333 HD11 ILE 41 1HD1 ILE 41 -11.493 -9.426 -3.634 334 HD12 ILE 41 2HD1 ILE 41 -10.524 -8.486 -4.787 335 HD13 ILE 41 3HD1 ILE 41 -10.648 -10.240 -4.975 336 H VAL 42 H VAL 42 -8.905 -11.245 -5.484 337 HA VAL 42 HA VAL 42 -7.002 -13.222 -6.293 338 HB VAL 42 HB VAL 42 -6.549 -11.610 -8.132 339 HG11 VAL 42 1HG1 VAL 42 -9.532 -11.999 -7.604 340 HG12 VAL 42 2HG1 VAL 42 -8.745 -11.748 -9.176 341 HG13 VAL 42 3HG1 VAL 42 -8.436 -13.231 -8.262 342 HG21 VAL 42 1HG2 VAL 42 -7.818 -9.579 -8.384 343 HG22 VAL 42 2HG2 VAL 42 -8.620 -9.788 -6.819 344 HG23 VAL 42 3HG2 VAL 42 -6.870 -9.487 -6.898 345 H ASP 43 H ASP 43 -4.711 -13.004 -6.469 346 HA ASP 43 HA ASP 43 -3.487 -11.633 -4.254 347 HB2 ASP 43 1HB ASP 43 -2.858 -13.899 -5.108 348 HB3 ASP 43 2HB ASP 43 -2.193 -13.134 -6.561 349 H ILE 44 H ILE 44 -1.462 -10.380 -4.512 350 HA ILE 44 HA ILE 44 -1.584 -8.430 -6.752 351 HB ILE 44 HB ILE 44 -2.326 -7.477 -4.571 352 HG12 ILE 44 1HG1 ILE 44 -0.683 -5.584 -4.447 353 HG13 ILE 44 2HG1 ILE 44 0.274 -6.370 -5.673 354 HG21 ILE 44 1HG2 ILE 44 0.481 -8.088 -3.566 355 HG22 ILE 44 2HG2 ILE 44 -0.735 -7.150 -2.719 356 HG23 ILE 44 3HG2 ILE 44 -1.013 -8.877 -3.009 357 HD11 ILE 44 1HD1 ILE 44 -2.640 -5.481 -5.944 358 HD12 ILE 44 2HD1 ILE 44 -1.222 -4.641 -6.599 359 HD13 ILE 44 3HD1 ILE 44 -1.677 -6.234 -7.222 360 H ASP 45 H ASP 45 0.466 -7.790 -7.517 361 HA ASP 45 HA ASP 45 2.544 -9.884 -7.128 362 HB2 ASP 45 1HB ASP 45 2.374 -7.584 -9.104 363 HB3 ASP 45 2HB ASP 45 3.645 -8.818 -9.060 364 H LYS 46 H LYS 46 4.779 -9.318 -6.659 365 HA LYS 46 HA LYS 46 4.904 -7.410 -4.469 366 HB2 LYS 46 1HB LYS 46 6.935 -9.229 -5.831 367 HB3 LYS 46 2HB LYS 46 7.445 -7.979 -4.681 368 HG2 LYS 46 1HG LYS 46 7.257 -9.889 -3.360 369 HG3 LYS 46 2HG LYS 46 5.820 -8.956 -2.989 370 HD2 LYS 46 1HD LYS 46 4.469 -10.415 -4.467 371 HD3 LYS 46 2HD LYS 46 5.941 -11.288 -4.940 372 HE2 LYS 46 1HE LYS 46 6.255 -11.923 -2.518 373 HE3 LYS 46 2HE LYS 46 4.692 -11.144 -2.157 374 HZ1 LYS 46 1HZ LYS 46 4.378 -13.496 -2.514 375 HZ2 LYS 46 2HZ LYS 46 5.133 -13.418 -3.979 376 HZ3 LYS 46 3HZ LYS 46 3.670 -12.663 -3.719 377 H ARG 47 H ARG 47 4.583 -5.360 -5.051 378 HA ARG 47 HA ARG 47 6.489 -4.082 -6.911 379 HB2 ARG 47 1HB ARG 47 3.472 -3.756 -6.786 380 HB3 ARG 47 2HB ARG 47 4.568 -2.689 -7.684 381 HG2 ARG 47 1HG ARG 47 4.154 -5.674 -8.218 382 HG3 ARG 47 2HG ARG 47 3.560 -4.320 -9.180 383 HD2 ARG 47 1HD ARG 47 5.846 -3.559 -9.568 384 HD3 ARG 47 2HD ARG 47 6.489 -4.971 -8.759 385 HE ARG 47 HE ARG 47 5.227 -4.818 -11.356 386 HH11 ARG 47 1HH1 ARG 47 6.457 -7.010 -8.805 387 HH12 ARG 47 2HH1 ARG 47 6.661 -8.344 -9.921 388 HH21 ARG 47 1HH2 ARG 47 5.397 -6.746 -12.773 389 HH22 ARG 47 2HH2 ARG 47 6.093 -8.173 -12.102 390 H LYS 48 H LYS 48 6.587 -1.785 -6.531 391 HA LYS 48 HA LYS 48 6.214 -0.887 -3.716 392 HB2 LYS 48 1HB LYS 48 8.175 0.159 -5.799 393 HB3 LYS 48 2HB LYS 48 8.143 0.544 -4.098 394 HG2 LYS 48 1HG LYS 48 8.882 -1.755 -3.555 395 HG3 LYS 48 2HG LYS 48 8.817 -2.199 -5.248 396 HD2 LYS 48 1HD LYS 48 10.649 -0.867 -5.864 397 HD3 LYS 48 2HD LYS 48 10.510 0.164 -4.445 398 HE2 LYS 48 1HE LYS 48 12.074 -1.004 -3.406 399 HE3 LYS 48 2HE LYS 48 11.019 -2.401 -3.400 400 HZ1 LYS 48 1HZ LYS 48 11.989 -2.984 -5.611 401 HZ2 LYS 48 2HZ LYS 48 13.037 -3.000 -4.363 402 HZ3 LYS 48 3HZ LYS 48 13.071 -1.761 -5.429 403 H TYR 49 H TYR 49 4.099 0.051 -3.875 404 HA TYR 49 HA TYR 49 3.452 1.585 -6.325 405 HB2 TYR 49 2HB TYR 49 1.809 0.539 -4.015 406 HB3 TYR 49 3HB TYR 49 1.230 1.722 -5.181 407 HD1 TYR 49 1HD TYR 49 3.332 -0.505 -7.039 408 HD2 TYR 49 2HD TYR 49 -0.580 -0.180 -5.225 409 HE1 TYR 49 1HE TYR 49 2.453 -2.190 -8.600 410 HE2 TYR 49 2HE TYR 49 -1.432 -1.911 -6.797 411 HH TYR 49 HH TYR 49 -0.906 -3.333 -8.659 412 H LEU 50 H LEU 50 3.768 3.598 -6.464 413 HA LEU 50 HA LEU 50 4.166 5.323 -4.099 414 HB2 LEU 50 1HB LEU 50 4.570 6.154 -6.989 415 HB3 LEU 50 2HB LEU 50 5.238 6.847 -5.519 416 HG LEU 50 HG LEU 50 6.072 4.338 -7.011 417 HD11 LEU 50 1HD1 LEU 50 6.892 6.609 -7.656 418 HD12 LEU 50 2HD1 LEU 50 8.177 5.511 -7.154 419 HD13 LEU 50 3HD1 LEU 50 7.583 6.779 -6.046 420 HD21 LEU 50 1HD2 LEU 50 6.130 3.585 -4.728 421 HD22 LEU 50 2HD2 LEU 50 6.815 5.127 -4.190 422 HD23 LEU 50 3HD2 LEU 50 7.761 3.986 -5.219 423 H VAL 51 H VAL 51 2.408 6.434 -3.395 424 HA VAL 51 HA VAL 51 0.384 7.268 -5.436 425 HB VAL 51 HB VAL 51 -1.076 7.411 -3.204 426 HG11 VAL 51 1HG1 VAL 51 -1.666 6.180 -5.231 427 HG12 VAL 51 2HG1 VAL 51 -0.561 4.862 -4.779 428 HG13 VAL 51 3HG1 VAL 51 -1.997 5.222 -3.789 429 HG21 VAL 51 1HG2 VAL 51 0.739 5.005 -2.648 430 HG22 VAL 51 2HG2 VAL 51 0.794 6.515 -1.749 431 HG23 VAL 51 3HG2 VAL 51 -0.681 5.520 -1.722 432 HA PRO 52 HA PRO 52 1.473 11.445 -4.463 433 HB2 PRO 52 2HB PRO 52 -0.728 12.837 -5.313 434 HB3 PRO 52 3HB PRO 52 0.464 12.095 -6.432 435 HG2 PRO 52 2HG PRO 52 -2.201 11.032 -5.556 436 HG3 PRO 52 3HG PRO 52 -1.591 11.049 -7.168 437 HD2 PRO 52 2HD PRO 52 -1.431 8.814 -5.590 438 HD3 PRO 52 3HD PRO 52 -0.099 9.216 -6.717 439 H SER 53 H SER 53 1.366 12.766 -2.789 440 HA SER 53 HA SER 53 0.022 12.060 -0.420 441 HB2 SER 53 1HB SER 53 1.272 14.720 -1.178 442 HB3 SER 53 2HB SER 53 0.988 14.124 0.454 443 HG SER 53 HG SER 53 2.794 13.207 -1.511 444 H ASP 54 H ASP 54 -1.118 13.956 -3.085 445 HA ASP 54 HA ASP 54 -2.983 15.585 -1.596 446 HB2 ASP 54 1HB ASP 54 -1.886 15.541 -4.270 447 HB3 ASP 54 2HB ASP 54 -3.635 15.523 -4.377 448 H ILE 55 H ILE 55 -3.215 12.415 -3.271 449 HA ILE 55 HA ILE 55 -6.110 12.634 -3.391 450 HB ILE 55 HB ILE 55 -6.158 10.323 -3.951 451 HG12 ILE 55 1HG1 ILE 55 -3.271 9.856 -4.275 452 HG13 ILE 55 2HG1 ILE 55 -3.737 10.038 -2.613 453 HG21 ILE 55 1HG2 ILE 55 -5.930 11.886 -5.729 454 HG22 ILE 55 2HG2 ILE 55 -4.181 11.972 -5.540 455 HG23 ILE 55 3HG2 ILE 55 -4.940 10.465 -6.109 456 HD11 ILE 55 1HD1 ILE 55 -5.461 8.277 -2.927 457 HD12 ILE 55 2HD1 ILE 55 -4.979 8.119 -4.634 458 HD13 ILE 55 3HD1 ILE 55 -3.834 7.686 -3.344 459 H THR 56 H THR 56 -7.552 11.029 -2.157 460 HA THR 56 HA THR 56 -6.734 11.009 0.694 461 HB THR 56 HB THR 56 -9.237 10.914 1.055 462 HG1 THR 56 1HG THR 56 -10.599 11.325 -0.576 463 HG21 THR 56 1HG2 THR 56 -8.180 13.325 -0.487 464 HG22 THR 56 2HG2 THR 56 -8.091 13.051 1.266 465 HG23 THR 56 3HG2 THR 56 -9.662 13.283 0.482 466 H VAL 57 H VAL 57 -7.615 9.238 1.978 467 HA VAL 57 HA VAL 57 -6.866 6.705 1.070 468 HB VAL 57 HB VAL 57 -8.960 7.253 3.192 469 HG11 VAL 57 1HG1 VAL 57 -8.343 5.163 4.193 470 HG12 VAL 57 2HG1 VAL 57 -8.659 4.821 2.502 471 HG13 VAL 57 3HG1 VAL 57 -6.989 4.936 3.054 472 HG21 VAL 57 1HG2 VAL 57 -5.972 7.064 3.627 473 HG22 VAL 57 2HG2 VAL 57 -6.966 8.544 3.774 474 HG23 VAL 57 3HG2 VAL 57 -7.213 7.209 4.885 475 H ALA 58 H ALA 58 -10.002 8.374 0.730 476 HA ALA 58 HA ALA 58 -11.663 6.219 -0.167 477 HB1 ALA 58 1HB ALA 58 -11.656 9.192 -0.840 478 HB2 ALA 58 2HB ALA 58 -13.024 8.110 -1.058 479 HB3 ALA 58 3HB ALA 58 -12.450 8.466 0.571 480 H GLN 59 H GLN 59 -9.625 8.545 -2.003 481 HA GLN 59 HA GLN 59 -10.260 7.441 -4.583 482 HB2 GLN 59 1HB GLN 59 -7.787 8.991 -3.713 483 HB3 GLN 59 2HB GLN 59 -8.318 8.731 -5.364 484 HG2 GLN 59 1HG GLN 59 -10.522 9.995 -4.176 485 HG3 GLN 59 2HG GLN 59 -9.141 10.765 -3.392 486 HE21 GLN 59 1HE2 GLN 59 -8.501 12.790 -6.284 487 HE22 GLN 59 2HE2 GLN 59 -8.398 12.696 -4.556 488 H PHE 60 H PHE 60 -7.517 7.016 -2.286 489 HA PHE 60 HA PHE 60 -5.985 5.288 -3.886 490 HB2 PHE 60 2HB PHE 60 -5.197 6.354 -1.770 491 HB3 PHE 60 3HB PHE 60 -6.272 5.318 -0.855 492 HD1 PHE 60 1HD PHE 60 -4.489 4.472 0.517 493 HD2 PHE 60 2HD PHE 60 -4.329 3.950 -3.773 494 HE1 PHE 60 1HE PHE 60 -2.661 2.820 0.771 495 HE2 PHE 60 2HE PHE 60 -2.545 2.295 -3.501 496 HZ PHE 60 HZ PHE 60 -1.693 1.722 -1.235 497 H MET 61 H MET 61 -8.469 4.521 -1.443 498 HA MET 61 HA MET 61 -8.467 1.746 -1.599 499 HB2 MET 61 1HB MET 61 -9.677 3.023 0.105 500 HB3 MET 61 2HB MET 61 -10.756 3.697 -1.122 501 HG2 MET 61 1HG MET 61 -11.497 1.344 -1.647 502 HG3 MET 61 2HG MET 61 -10.552 0.806 -0.253 503 HE1 MET 61 1HE MET 61 -13.956 0.480 -0.716 504 HE2 MET 61 2HE MET 61 -14.820 1.939 -0.205 505 HE3 MET 61 3HE MET 61 -13.767 1.998 -1.627 506 H TRP 62 H TRP 62 -10.342 4.113 -3.615 507 HA TRP 62 HA TRP 62 -11.631 2.084 -5.132 508 HB2 TRP 62 2HB TRP 62 -11.231 5.019 -5.421 509 HB3 TRP 62 3HB TRP 62 -11.656 4.098 -6.859 510 HD1 TRP 62 HD1 TRP 62 -12.890 3.898 -3.201 511 HE1 TRP 62 1HE TRP 62 -15.459 3.812 -3.194 512 HE3 TRP 62 3HE TRP 62 -13.720 4.175 -8.245 513 HZ2 TRP 62 2HZ TRP 62 -17.568 3.734 -5.132 514 HZ3 TRP 62 3HZ TRP 62 -16.023 4.076 -9.145 515 HH2 TRP 62 HH2 TRP 62 -17.957 3.885 -7.619 516 H ILE 63 H ILE 63 -8.575 3.860 -5.799 517 HA ILE 63 HA ILE 63 -8.102 2.649 -8.295 518 HB ILE 63 HB ILE 63 -6.037 3.548 -6.248 519 HG12 ILE 63 1HG1 ILE 63 -6.885 5.129 -8.686 520 HG13 ILE 63 2HG1 ILE 63 -7.831 5.272 -7.229 521 HG21 ILE 63 1HG2 ILE 63 -4.945 2.171 -7.921 522 HG22 ILE 63 2HG2 ILE 63 -5.854 2.949 -9.236 523 HG23 ILE 63 3HG2 ILE 63 -4.622 3.856 -8.344 524 HD11 ILE 63 1HD1 ILE 63 -5.750 5.924 -5.971 525 HD12 ILE 63 2HD1 ILE 63 -4.885 5.962 -7.522 526 HD13 ILE 63 3HD1 ILE 63 -6.252 7.061 -7.230 527 H ILE 64 H ILE 64 -7.207 1.492 -5.004 528 HA ILE 64 HA ILE 64 -5.803 -0.823 -5.829 529 HB ILE 64 HB ILE 64 -7.494 -0.246 -3.372 530 HG12 ILE 64 1HG1 ILE 64 -4.500 -0.428 -3.446 531 HG13 ILE 64 2HG1 ILE 64 -5.269 1.066 -3.926 532 HG21 ILE 64 1HG2 ILE 64 -5.686 -2.608 -3.946 533 HG22 ILE 64 2HG2 ILE 64 -6.159 -2.168 -2.305 534 HG23 ILE 64 3HG2 ILE 64 -7.392 -2.667 -3.472 535 HD11 ILE 64 1HD1 ILE 64 -5.902 -0.242 -1.252 536 HD12 ILE 64 2HD1 ILE 64 -4.595 0.911 -1.475 537 HD13 ILE 64 3HD1 ILE 64 -6.266 1.406 -1.784 538 H ARG 65 H ARG 65 -9.358 -0.551 -5.024 539 HA ARG 65 HA ARG 65 -9.800 -3.300 -5.732 540 HB2 ARG 65 1HB ARG 65 -12.141 -2.884 -5.593 541 HB3 ARG 65 2HB ARG 65 -11.268 -2.164 -4.238 542 HG2 ARG 65 1HG ARG 65 -11.406 0.035 -5.335 543 HG3 ARG 65 2HG ARG 65 -12.393 -0.661 -6.637 544 HD2 ARG 65 1HD ARG 65 -13.049 -0.548 -3.664 545 HD3 ARG 65 2HD ARG 65 -13.760 0.480 -4.930 546 HE ARG 65 HE ARG 65 -14.286 -1.985 -5.877 547 HH11 ARG 65 1HH1 ARG 65 -14.811 -0.570 -2.692 548 HH12 ARG 65 2HH1 ARG 65 -16.231 -1.440 -2.287 549 HH21 ARG 65 1HH2 ARG 65 -16.292 -3.103 -5.485 550 HH22 ARG 65 2HH2 ARG 65 -17.124 -2.945 -3.973 551 H LYS 66 H LYS 66 -9.954 -0.370 -7.703 552 HA LYS 66 HA LYS 66 -11.062 -1.564 -10.057 553 HB2 LYS 66 1HB LYS 66 -9.178 0.815 -9.700 554 HB3 LYS 66 2HB LYS 66 -9.976 0.414 -11.203 555 HG2 LYS 66 1HG LYS 66 -11.819 0.681 -8.875 556 HG3 LYS 66 2HG LYS 66 -10.938 2.147 -9.259 557 HD2 LYS 66 1HD LYS 66 -12.301 0.718 -11.527 558 HD3 LYS 66 2HD LYS 66 -13.296 1.532 -10.334 559 HE2 LYS 66 1HE LYS 66 -12.871 2.996 -12.222 560 HE3 LYS 66 2HE LYS 66 -12.231 3.676 -10.729 561 HZ1 LYS 66 1HZ LYS 66 -10.567 2.226 -12.702 562 HZ2 LYS 66 2HZ LYS 66 -10.041 3.123 -11.404 563 HZ3 LYS 66 3HZ LYS 66 -10.745 3.862 -12.672 564 H ARG 67 H ARG 67 -7.610 -1.061 -9.045 565 HA ARG 67 HA ARG 67 -6.474 -2.144 -11.398 566 HB2 ARG 67 1HB ARG 67 -5.486 -1.664 -8.555 567 HB3 ARG 67 2HB ARG 67 -4.456 -2.374 -9.772 568 HG2 ARG 67 1HG ARG 67 -5.815 0.325 -10.105 569 HG3 ARG 67 2HG ARG 67 -4.174 0.108 -9.503 570 HD2 ARG 67 1HD ARG 67 -5.166 -0.752 -12.257 571 HD3 ARG 67 2HD ARG 67 -4.255 0.704 -11.902 572 HE ARG 67 HE ARG 67 -2.448 -0.850 -10.985 573 HH11 ARG 67 1HH1 ARG 67 -4.545 -1.900 -13.718 574 HH12 ARG 67 2HH1 ARG 67 -3.197 -2.589 -14.569 575 HH21 ARG 67 1HH2 ARG 67 -0.818 -2.024 -12.017 576 HH22 ARG 67 2HH2 ARG 67 -1.145 -2.875 -13.467 577 H ILE 68 H ILE 68 -7.276 -3.778 -8.273 578 HA ILE 68 HA ILE 68 -6.139 -6.249 -9.341 579 HB ILE 68 HB ILE 68 -6.909 -7.318 -7.366 580 HG12 ILE 68 1HG1 ILE 68 -8.530 -4.815 -6.773 581 HG13 ILE 68 2HG1 ILE 68 -9.153 -6.419 -7.158 582 HG21 ILE 68 1HG2 ILE 68 -5.885 -4.583 -6.518 583 HG22 ILE 68 2HG2 ILE 68 -5.655 -6.147 -5.708 584 HG23 ILE 68 3HG2 ILE 68 -4.890 -5.847 -7.260 585 HD11 ILE 68 1HD1 ILE 68 -8.086 -7.307 -5.067 586 HD12 ILE 68 2HD1 ILE 68 -7.684 -5.629 -4.620 587 HD13 ILE 68 3HD1 ILE 68 -9.375 -6.116 -4.801 588 H GLN 69 H GLN 69 -9.014 -4.560 -9.957 589 HA GLN 69 HA GLN 69 -10.883 -4.953 -11.078 590 HB2 GLN 69 1HB GLN 69 -9.545 -7.504 -12.021 591 HB3 GLN 69 2HB GLN 69 -10.986 -6.775 -12.716 592 HG2 GLN 69 1HG GLN 69 -9.717 -4.847 -13.484 593 HG3 GLN 69 2HG GLN 69 -8.281 -5.375 -12.606 594 HE21 GLN 69 1HE2 GLN 69 -7.129 -7.221 -15.379 595 HE22 GLN 69 2HE2 GLN 69 -6.738 -6.161 -14.046 596 H LEU 70 H LEU 70 -11.376 -5.130 -8.680 597 HA LEU 70 HA LEU 70 -12.174 -7.692 -7.623 598 HB2 LEU 70 1HB LEU 70 -11.354 -6.000 -6.174 599 HB3 LEU 70 2HB LEU 70 -12.571 -4.856 -6.663 600 HG LEU 70 HG LEU 70 -12.685 -6.121 -4.351 601 HD11 LEU 70 1HD1 LEU 70 -14.322 -4.505 -5.081 602 HD12 LEU 70 2HD1 LEU 70 -15.059 -5.855 -4.202 603 HD13 LEU 70 3HD1 LEU 70 -15.199 -5.781 -5.957 604 HD21 LEU 70 1HD2 LEU 70 -12.696 -8.424 -5.526 605 HD22 LEU 70 2HD2 LEU 70 -14.403 -8.086 -5.855 606 HD23 LEU 70 3HD2 LEU 70 -13.816 -8.119 -4.195 607 HA PRO 71 HA PRO 71 -16.053 -7.514 -10.012 608 HB2 PRO 71 2HB PRO 71 -17.042 -9.993 -9.292 609 HB3 PRO 71 3HB PRO 71 -15.766 -9.739 -10.531 610 HG2 PRO 71 2HG PRO 71 -15.431 -10.444 -7.602 611 HG3 PRO 71 3HG PRO 71 -14.674 -11.222 -9.029 612 HD2 PRO 71 2HD PRO 71 -13.351 -9.373 -7.588 613 HD3 PRO 71 3HD PRO 71 -13.228 -9.392 -9.361 614 H SER 72 H SER 72 -18.376 -7.675 -9.525 615 HA SER 72 HA SER 72 -19.091 -6.325 -7.109 616 HB2 SER 72 1HB SER 72 -21.454 -6.921 -7.968 617 HB3 SER 72 2HB SER 72 -20.430 -5.949 -9.038 618 HG SER 72 HG SER 72 -21.542 -7.855 -10.002 619 H GLU 73 H GLU 73 -18.669 -9.710 -7.816 620 HA GLU 73 HA GLU 73 -20.462 -10.692 -5.778 621 HB2 GLU 73 1HB GLU 73 -19.610 -12.846 -6.249 622 HB3 GLU 73 2HB GLU 73 -19.999 -12.011 -7.730 623 HG2 GLU 73 1HG GLU 73 -17.559 -11.631 -8.089 624 HG3 GLU 73 2HG GLU 73 -17.237 -12.540 -6.610 625 H LYS 74 H LYS 74 -16.875 -10.296 -5.854 626 HA LYS 74 HA LYS 74 -16.852 -11.057 -2.990 627 HB2 LYS 74 1HB LYS 74 -14.411 -10.290 -4.612 628 HB3 LYS 74 2HB LYS 74 -14.494 -11.140 -3.074 629 HG2 LYS 74 1HG LYS 74 -15.225 -12.186 -5.816 630 HG3 LYS 74 2HG LYS 74 -13.904 -12.700 -4.786 631 HD2 LYS 74 1HD LYS 74 -16.859 -13.113 -4.111 632 HD3 LYS 74 2HD LYS 74 -15.810 -14.293 -4.879 633 HE2 LYS 74 1HE LYS 74 -14.312 -14.298 -2.913 634 HE3 LYS 74 2HE LYS 74 -15.308 -13.060 -2.137 635 HZ1 LYS 74 1HZ LYS 74 -15.911 -15.174 -1.271 636 HZ2 LYS 74 2HZ LYS 74 -16.125 -15.824 -2.765 637 HZ3 LYS 74 3HZ LYS 74 -17.169 -14.693 -2.215 638 H ALA 75 H ALA 75 -15.550 -9.673 -1.510 639 HA ALA 75 HA ALA 75 -16.287 -6.804 -1.886 640 HB1 ALA 75 1HB ALA 75 -17.472 -7.984 -0.034 641 HB2 ALA 75 2HB ALA 75 -15.893 -8.396 0.678 642 HB3 ALA 75 3HB ALA 75 -16.400 -6.701 0.555 643 H ILE 76 H ILE 76 -14.698 -5.516 -0.242 644 HA ILE 76 HA ILE 76 -11.965 -6.463 -0.259 645 HB ILE 76 HB ILE 76 -12.010 -5.559 -2.424 646 HG12 ILE 76 1HG1 ILE 76 -10.637 -3.396 -2.142 647 HG13 ILE 76 2HG1 ILE 76 -10.694 -3.706 -0.424 648 HG21 ILE 76 1HG2 ILE 76 -12.802 -3.254 -2.969 649 HG22 ILE 76 2HG2 ILE 76 -14.078 -4.379 -2.519 650 HG23 ILE 76 3HG2 ILE 76 -13.531 -3.177 -1.351 651 HD11 ILE 76 1HD1 ILE 76 -9.654 -5.612 -2.551 652 HD12 ILE 76 2HD1 ILE 76 -8.673 -4.596 -1.487 653 HD13 ILE 76 3HD1 ILE 76 -9.656 -5.912 -0.796 654 H PHE 77 H PHE 77 -10.847 -5.503 1.387 655 HA PHE 77 HA PHE 77 -11.968 -3.303 3.005 656 HB2 PHE 77 2HB PHE 77 -11.112 -5.983 4.189 657 HB3 PHE 77 3HB PHE 77 -11.762 -4.597 5.056 658 HD1 PHE 77 1HD PHE 77 -12.548 -7.667 3.305 659 HD2 PHE 77 2HD PHE 77 -14.178 -3.864 4.497 660 HE1 PHE 77 1HE PHE 77 -14.852 -8.506 2.869 661 HE2 PHE 77 2HE PHE 77 -16.456 -4.670 3.977 662 HZ PHE 77 HZ PHE 77 -16.808 -7.008 3.193 663 H LEU 78 H LEU 78 -10.247 -2.076 3.928 664 HA LEU 78 HA LEU 78 -7.468 -3.050 3.384 665 HB2 LEU 78 1HB LEU 78 -8.591 -0.213 3.502 666 HB3 LEU 78 2HB LEU 78 -6.879 -0.608 3.347 667 HG LEU 78 HG LEU 78 -9.022 -1.373 1.347 668 HD11 LEU 78 1HD1 LEU 78 -8.648 1.057 1.390 669 HD12 LEU 78 2HD1 LEU 78 -7.977 0.348 -0.083 670 HD13 LEU 78 3HD1 LEU 78 -6.896 0.810 1.241 671 HD21 LEU 78 1HD2 LEU 78 -7.123 -1.935 -0.147 672 HD22 LEU 78 2HD2 LEU 78 -7.193 -2.957 1.278 673 HD23 LEU 78 3HD2 LEU 78 -5.998 -1.645 1.201 674 H PHE 79 H PHE 79 -5.911 -2.675 4.864 675 HA PHE 79 HA PHE 79 -6.619 -1.518 7.498 676 HB2 PHE 79 2HB PHE 79 -5.579 -4.341 7.070 677 HB3 PHE 79 3HB PHE 79 -5.494 -3.491 8.610 678 HD1 PHE 79 1HD PHE 79 -7.797 -4.980 6.120 679 HD2 PHE 79 2HD PHE 79 -7.479 -3.136 10.000 680 HE1 PHE 79 1HE PHE 79 -10.104 -5.721 6.656 681 HE2 PHE 79 2HE PHE 79 -9.796 -3.851 10.526 682 HZ PHE 79 HZ PHE 79 -11.111 -5.147 8.867 683 H VAL 80 H VAL 80 -4.993 -0.355 8.348 684 HA VAL 80 HA VAL 80 -2.200 -0.657 7.366 685 HB VAL 80 HB VAL 80 -3.439 1.136 6.194 686 HG11 VAL 80 1HG1 VAL 80 -4.026 3.218 7.273 687 HG12 VAL 80 2HG1 VAL 80 -4.952 1.890 7.999 688 HG13 VAL 80 3HG1 VAL 80 -3.563 2.585 8.844 689 HG21 VAL 80 1HG2 VAL 80 -1.168 2.065 7.983 690 HG22 VAL 80 2HG2 VAL 80 -1.005 1.230 6.423 691 HG23 VAL 80 3HG2 VAL 80 -1.703 2.861 6.497 692 H ASP 81 H ASP 81 -0.797 -0.778 9.212 693 HA ASP 81 HA ASP 81 -0.295 -1.112 11.407 694 HB2 ASP 81 1HB ASP 81 -1.658 1.601 11.437 695 HB3 ASP 81 2HB ASP 81 -0.963 0.908 12.888 696 H LYS 82 H LYS 82 -2.768 -2.387 10.523 697 HA LYS 82 HA LYS 82 -4.524 -3.631 11.337 698 HB2 LYS 82 1HB LYS 82 -3.382 -3.171 14.110 699 HB3 LYS 82 2HB LYS 82 -4.541 -4.394 13.639 700 HG2 LYS 82 1HG LYS 82 -1.649 -4.253 12.730 701 HG3 LYS 82 2HG LYS 82 -2.350 -5.359 13.920 702 HD2 LYS 82 1HD LYS 82 -3.808 -6.328 12.109 703 HD3 LYS 82 2HD LYS 82 -2.925 -5.301 10.943 704 HE2 LYS 82 1HE LYS 82 -0.785 -6.288 12.088 705 HE3 LYS 82 2HE LYS 82 -1.855 -7.553 12.695 706 HZ1 LYS 82 1HZ LYS 82 -2.338 -8.162 10.436 707 HZ2 LYS 82 2HZ LYS 82 -0.709 -8.039 10.595 708 HZ3 LYS 82 3HZ LYS 82 -1.523 -6.834 9.843 709 H THR 83 H THR 83 -4.687 -0.664 11.068 710 HA THR 83 HA THR 83 -7.072 -0.203 12.741 711 HB THR 83 HB THR 83 -6.592 2.163 12.610 712 HG1 THR 83 1HG THR 83 -4.383 1.412 11.039 713 HG21 THR 83 1HG2 THR 83 -5.518 0.670 14.420 714 HG22 THR 83 2HG2 THR 83 -4.929 2.327 14.196 715 HG23 THR 83 3HG2 THR 83 -3.996 0.972 13.541 716 H VAL 84 H VAL 84 -8.623 1.249 11.774 717 HA VAL 84 HA VAL 84 -9.091 0.595 8.931 718 HB VAL 84 HB VAL 84 -10.734 -0.280 10.330 719 HG11 VAL 84 1HG1 VAL 84 -12.140 0.949 11.920 720 HG12 VAL 84 2HG1 VAL 84 -10.461 0.902 12.442 721 HG13 VAL 84 3HG1 VAL 84 -11.126 2.387 11.735 722 HG21 VAL 84 1HG2 VAL 84 -11.532 0.816 8.291 723 HG22 VAL 84 2HG2 VAL 84 -12.761 0.796 9.569 724 HG23 VAL 84 3HG2 VAL 84 -11.869 2.297 9.231 725 HA PRO 85 HA PRO 85 -7.719 4.933 8.808 726 HB2 PRO 85 2HB PRO 85 -7.131 5.148 6.153 727 HB3 PRO 85 3HB PRO 85 -6.083 4.300 7.314 728 HG2 PRO 85 2HG PRO 85 -8.117 3.083 5.427 729 HG3 PRO 85 3HG PRO 85 -6.442 2.543 5.752 730 HD2 PRO 85 2HD PRO 85 -8.635 1.422 6.962 731 HD3 PRO 85 3HD PRO 85 -7.054 1.561 7.778 732 H GLN 86 H GLN 86 -8.768 6.810 8.393 733 HA GLN 86 HA GLN 86 -11.552 6.658 7.619 734 HB2 GLN 86 1HB GLN 86 -10.938 8.179 9.378 735 HB3 GLN 86 2HB GLN 86 -9.742 8.993 8.362 736 HG2 GLN 86 1HG GLN 86 -11.386 10.039 7.023 737 HG3 GLN 86 2HG GLN 86 -12.656 8.940 7.552 738 HE21 GLN 86 1HE2 GLN 86 -12.087 12.345 9.652 739 HE22 GLN 86 2HE2 GLN 86 -11.196 12.070 8.157 740 H SER 87 H SER 87 -12.296 6.736 5.606 741 HA SER 87 HA SER 87 -10.959 6.917 3.249 742 HB2 SER 87 1HB SER 87 -13.386 7.575 2.461 743 HB3 SER 87 2HB SER 87 -13.021 5.996 3.170 744 HG SER 87 HG SER 87 -14.750 6.618 4.254 745 H SER 88 H SER 88 -12.455 9.619 5.004 746 HA SER 88 HA SER 88 -11.951 11.612 3.002 747 HB2 SER 88 1HB SER 88 -13.675 11.473 4.958 748 HB3 SER 88 2HB SER 88 -12.389 12.134 5.961 749 HG SER 88 HG SER 88 -13.558 13.848 5.246 750 H LEU 89 H LEU 89 -9.609 10.137 5.163 751 HA LEU 89 HA LEU 89 -8.163 12.604 5.666 752 HB2 LEU 89 1HB LEU 89 -8.186 10.585 7.177 753 HB3 LEU 89 2HB LEU 89 -7.203 9.746 5.986 754 HG LEU 89 HG LEU 89 -5.366 11.333 6.312 755 HD11 LEU 89 1HD1 LEU 89 -5.510 13.049 8.175 756 HD12 LEU 89 2HD1 LEU 89 -7.265 12.796 8.206 757 HD13 LEU 89 3HD1 LEU 89 -6.470 13.463 6.756 758 HD21 LEU 89 1HD2 LEU 89 -4.749 10.753 8.569 759 HD22 LEU 89 2HD2 LEU 89 -5.687 9.406 7.902 760 HD23 LEU 89 3HD2 LEU 89 -6.446 10.527 9.039 761 H THR 90 H THR 90 -5.923 12.998 4.832 762 HA THR 90 HA THR 90 -5.797 12.440 1.957 763 HB THR 90 HB THR 90 -3.929 14.294 2.354 764 HG1 THR 90 1HG THR 90 -4.461 15.667 4.025 765 HG21 THR 90 1HG2 THR 90 -5.667 16.018 1.969 766 HG22 THR 90 2HG2 THR 90 -6.933 14.866 2.462 767 HG23 THR 90 3HG2 THR 90 -5.960 14.568 0.999 768 H MET 91 H MET 91 -3.893 11.749 0.968 769 HA MET 91 HA MET 91 -2.617 9.670 2.302 770 HB2 MET 91 1HB MET 91 -2.160 11.164 -0.283 771 HB3 MET 91 2HB MET 91 -0.916 10.042 0.215 772 HG2 MET 91 1HG MET 91 -3.845 9.439 -0.353 773 HG3 MET 91 2HG MET 91 -2.442 8.959 -1.300 774 HE1 MET 91 1HE MET 91 -0.761 6.232 0.858 775 HE2 MET 91 2HE MET 91 -0.615 7.452 -0.444 776 HE3 MET 91 3HE MET 91 -0.526 7.958 1.234 777 H GLY 92 H GLY 92 -1.456 12.995 1.745 778 HA2 GLY 92 1HA GLY 92 1.157 12.637 2.802 779 HA3 GLY 92 2HA GLY 92 0.260 14.164 2.749 780 H GLN 93 H GLN 93 -1.942 13.527 4.483 781 HA GLN 93 HA GLN 93 -0.696 13.966 7.004 782 HB2 GLN 93 1HB GLN 93 -3.532 13.459 6.040 783 HB3 GLN 93 2HB GLN 93 -3.175 13.413 7.749 784 HG2 GLN 93 1HG GLN 93 -2.630 15.817 5.973 785 HG3 GLN 93 2HG GLN 93 -4.028 15.614 7.022 786 HE21 GLN 93 1HE2 GLN 93 -0.408 16.747 8.637 787 HE22 GLN 93 2HE2 GLN 93 -0.582 16.314 6.937 788 H LEU 94 H LEU 94 -2.423 11.143 5.628 789 HA LEU 94 HA LEU 94 -2.041 9.506 7.911 790 HB2 LEU 94 1HB LEU 94 -3.680 9.168 6.129 791 HB3 LEU 94 2HB LEU 94 -2.423 8.716 5.006 792 HG LEU 94 HG LEU 94 -1.925 6.957 7.099 793 HD11 LEU 94 1HD1 LEU 94 -3.817 7.865 8.435 794 HD12 LEU 94 2HD1 LEU 94 -4.105 6.178 7.987 795 HD13 LEU 94 3HD1 LEU 94 -4.946 7.454 7.108 796 HD21 LEU 94 1HD2 LEU 94 -3.162 5.261 5.918 797 HD22 LEU 94 2HD2 LEU 94 -2.303 6.283 4.772 798 HD23 LEU 94 3HD2 LEU 94 -4.059 6.491 4.981 799 H TYR 95 H TYR 95 0.141 10.197 5.169 800 HA TYR 95 HA TYR 95 2.030 8.109 5.732 801 HB2 TYR 95 2HB TYR 95 1.988 9.208 3.547 802 HB3 TYR 95 3HB TYR 95 2.299 10.782 4.283 803 HD1 TYR 95 1HD TYR 95 3.943 7.388 4.649 804 HD2 TYR 95 2HD TYR 95 4.425 11.562 3.634 805 HE1 TYR 95 1HE TYR 95 6.327 7.007 4.263 806 HE2 TYR 95 2HE TYR 95 6.833 11.179 3.227 807 HH TYR 95 HH TYR 95 8.360 7.938 3.680 808 H GLU 96 H GLU 96 1.876 11.612 6.603 809 HA GLU 96 HA GLU 96 4.289 11.542 8.144 810 HB2 GLU 96 1HB GLU 96 3.293 13.529 7.008 811 HB3 GLU 96 2HB GLU 96 1.963 13.515 8.143 812 HG2 GLU 96 1HG GLU 96 3.509 13.998 9.987 813 HG3 GLU 96 2HG GLU 96 4.867 13.778 8.942 814 H LYS 97 H LYS 97 0.957 10.718 8.948 815 HA LYS 97 HA LYS 97 1.673 10.628 11.805 816 HB2 LYS 97 1HB LYS 97 -0.537 10.687 12.350 817 HB3 LYS 97 2HB LYS 97 -0.483 11.642 10.898 818 HG2 LYS 97 1HG LYS 97 -2.280 10.376 10.313 819 HG3 LYS 97 2HG LYS 97 -1.035 9.285 9.765 820 HD2 LYS 97 1HD LYS 97 -2.523 7.932 11.005 821 HD3 LYS 97 2HD LYS 97 -1.162 8.174 12.082 822 HE2 LYS 97 1HE LYS 97 -3.011 8.381 13.439 823 HE3 LYS 97 2HE LYS 97 -2.531 10.053 13.161 824 HZ1 LYS 97 1HZ LYS 97 -4.653 8.600 11.692 825 HZ2 LYS 97 2HZ LYS 97 -4.288 10.226 11.559 826 HZ3 LYS 97 3HZ LYS 97 -4.921 9.639 12.949 827 H GLU 98 H GLU 98 1.394 8.271 9.151 828 HA GLU 98 HA GLU 98 1.604 6.129 11.237 829 HB2 GLU 98 1HB GLU 98 0.617 5.796 8.383 830 HB3 GLU 98 2HB GLU 98 0.610 4.595 9.701 831 HG2 GLU 98 1HG GLU 98 -0.822 6.262 11.008 832 HG3 GLU 98 2HG GLU 98 -1.079 7.100 9.445 833 H LYS 99 H LYS 99 3.705 7.708 9.117 834 HA LYS 99 HA LYS 99 5.115 5.720 7.814 835 HB2 LYS 99 1HB LYS 99 7.156 7.169 8.148 836 HB3 LYS 99 2HB LYS 99 5.755 7.979 7.500 837 HG2 LYS 99 1HG LYS 99 6.039 9.561 9.100 838 HG3 LYS 99 2HG LYS 99 5.429 8.412 10.258 839 HD2 LYS 99 1HD LYS 99 7.350 9.024 11.270 840 HD3 LYS 99 2HD LYS 99 7.934 7.587 10.439 841 HE2 LYS 99 1HE LYS 99 9.035 8.859 8.757 842 HE3 LYS 99 2HE LYS 99 8.074 10.303 9.100 843 HZ1 LYS 99 1HZ LYS 99 10.388 10.368 9.945 844 HZ2 LYS 99 2HZ LYS 99 10.016 9.188 11.013 845 HZ3 LYS 99 3HZ LYS 99 9.215 10.624 11.115 846 H ASP 100 H ASP 100 6.218 3.939 8.303 847 HA ASP 100 HA ASP 100 6.774 3.277 11.096 848 HB2 ASP 100 1HB ASP 100 6.196 1.750 8.865 849 HB3 ASP 100 2HB ASP 100 7.940 1.564 8.951 850 H GLU 101 H GLU 101 9.378 2.332 11.481 851 HA GLU 101 HA GLU 101 10.880 4.651 11.322 852 HB2 GLU 101 1HB GLU 101 12.724 3.280 12.028 853 HB3 GLU 101 2HB GLU 101 11.283 2.863 12.932 854 HG2 GLU 101 1HG GLU 101 12.233 1.246 10.491 855 HG3 GLU 101 2HG GLU 101 12.820 1.033 12.114 856 H ASP 102 H ASP 102 10.512 2.176 8.898 857 HA ASP 102 HA ASP 102 12.895 2.947 7.382 858 HB2 ASP 102 1HB ASP 102 10.596 1.055 6.902 859 HB3 ASP 102 2HB ASP 102 11.718 1.455 5.619 860 H GLY 103 H GLY 103 10.243 4.749 7.948 861 HA2 GLY 103 1HA GLY 103 9.328 6.563 6.965 862 HA3 GLY 103 2HA GLY 103 10.658 6.566 5.816 863 H PHE 104 H PHE 104 8.463 3.878 6.101 864 HA PHE 104 HA PHE 104 7.039 4.589 3.597 865 HB2 PHE 104 2HB PHE 104 7.471 2.545 2.631 866 HB3 PHE 104 3HB PHE 104 8.986 2.756 3.491 867 HD1 PHE 104 1HD PHE 104 6.543 0.419 2.722 868 HD2 PHE 104 2HD PHE 104 8.623 1.885 6.202 869 HE1 PHE 104 1HE PHE 104 5.972 -1.659 3.942 870 HE2 PHE 104 2HE PHE 104 7.984 -0.162 7.429 871 HZ PHE 104 HZ PHE 104 6.669 -1.936 6.307 872 H LEU 105 H LEU 105 5.089 2.954 3.286 873 HA LEU 105 HA LEU 105 3.830 2.542 5.940 874 HB2 LEU 105 1HB LEU 105 3.063 4.664 4.799 875 HB3 LEU 105 2HB LEU 105 2.318 3.653 3.556 876 HG LEU 105 HG LEU 105 0.754 2.734 5.134 877 HD11 LEU 105 1HD1 LEU 105 0.725 3.490 7.552 878 HD12 LEU 105 2HD1 LEU 105 2.352 4.148 7.320 879 HD13 LEU 105 3HD1 LEU 105 2.039 2.407 7.180 880 HD21 LEU 105 1HD2 LEU 105 1.066 5.715 5.666 881 HD22 LEU 105 2HD2 LEU 105 -0.407 4.777 5.878 882 HD23 LEU 105 3HD2 LEU 105 0.262 4.993 4.249 883 H TYR 106 H TYR 106 2.621 0.645 6.167 884 HA TYR 106 HA TYR 106 2.780 -1.259 3.894 885 HB2 TYR 106 2HB TYR 106 2.810 -2.976 5.630 886 HB3 TYR 106 3HB TYR 106 4.185 -1.887 5.721 887 HD1 TYR 106 1HD TYR 106 4.396 -0.267 7.642 888 HD2 TYR 106 2HD TYR 106 1.219 -3.166 7.405 889 HE1 TYR 106 1HE TYR 106 3.946 0.042 10.031 890 HE2 TYR 106 2HE TYR 106 0.795 -2.916 9.835 891 HH TYR 106 HH TYR 106 2.565 -0.545 11.805 892 H VAL 107 H VAL 107 0.885 -1.879 2.972 893 HA VAL 107 HA VAL 107 -1.562 -1.740 4.669 894 HB VAL 107 HB VAL 107 -1.430 0.101 3.081 895 HG11 VAL 107 1HG1 VAL 107 -1.790 -0.255 0.682 896 HG12 VAL 107 2HG1 VAL 107 -0.253 -0.942 1.210 897 HG13 VAL 107 3HG1 VAL 107 -1.631 -2.013 0.910 898 HG21 VAL 107 1HG2 VAL 107 -3.602 -0.698 3.868 899 HG22 VAL 107 2HG2 VAL 107 -3.708 -0.101 2.212 900 HG23 VAL 107 3HG2 VAL 107 -3.701 -1.852 2.521 901 H ALA 108 H ALA 108 -2.935 -3.359 4.710 902 HA ALA 108 HA ALA 108 -2.319 -5.804 3.162 903 HB1 ALA 108 1HB ALA 108 -3.245 -7.029 5.112 904 HB2 ALA 108 2HB ALA 108 -1.797 -6.098 5.555 905 HB3 ALA 108 3HB ALA 108 -3.421 -5.499 5.987 906 H TYR 109 H TYR 109 -4.139 -6.779 2.193 907 HA TYR 109 HA TYR 109 -6.747 -5.462 2.667 908 HB2 TYR 109 2HB TYR 109 -7.250 -5.166 0.422 909 HB3 TYR 109 3HB TYR 109 -5.636 -4.513 0.604 910 HD1 TYR 109 1HD TYR 109 -7.714 -7.099 -0.985 911 HD2 TYR 109 2HD TYR 109 -3.666 -5.728 -0.349 912 HE1 TYR 109 1HE TYR 109 -6.951 -8.390 -2.963 913 HE2 TYR 109 2HE TYR 109 -2.931 -7.049 -2.319 914 HH TYR 109 HH TYR 109 -5.078 -9.206 -4.158 915 H SER 110 H SER 110 -8.620 -6.737 2.111 916 HA SER 110 HA SER 110 -8.185 -9.600 1.553 917 HB2 SER 110 1HB SER 110 -9.511 -10.189 3.625 918 HB3 SER 110 2HB SER 110 -7.894 -9.553 3.949 919 HG SER 110 HG SER 110 -9.161 -8.445 5.311 920 H GLY 111 H GLY 111 -10.256 -10.644 1.037 921 HA2 GLY 111 1HA GLY 111 -12.359 -8.666 0.272 922 HA3 GLY 111 2HA GLY 111 -11.957 -10.064 -0.721 923 H GLU 112 H GLU 112 -12.139 -10.245 2.869 924 HA GLU 112 HA GLU 112 -14.740 -11.627 2.674 925 HB2 GLU 112 1HB GLU 112 -12.162 -12.526 4.026 926 HB3 GLU 112 2HB GLU 112 -13.737 -13.281 4.276 927 HG2 GLU 112 1HG GLU 112 -13.833 -13.925 1.892 928 HG3 GLU 112 2HG GLU 112 -12.304 -13.100 1.584 929 H ASN 113 H ASN 113 -16.013 -11.104 4.284 930 HA ASN 113 HA ASN 113 -15.322 -9.000 6.160 931 HB2 ASN 113 1HB ASN 113 -17.663 -9.097 6.826 932 HB3 ASN 113 2HB ASN 113 -17.512 -9.026 5.070 933 HD21 ASN 113 1HD2 ASN 113 -19.832 -11.897 6.488 934 HD22 ASN 113 2HD2 ASN 113 -19.432 -10.431 7.373 935 H THR 114 H THR 114 -15.208 -12.538 6.350 936 HA THR 114 HA THR 114 -14.835 -12.359 9.266 937 HB THR 114 HB THR 114 -15.923 -14.667 9.226 938 HG1 THR 114 1HG THR 114 -17.394 -15.025 7.600 939 HG21 THR 114 1HG2 THR 114 -18.156 -13.739 9.485 940 HG22 THR 114 2HG2 THR 114 -17.711 -12.292 8.560 941 HG23 THR 114 3HG2 THR 114 -16.975 -12.601 10.140 942 H PHE 115 H PHE 115 -12.990 -13.180 9.935 943 HA PHE 115 HA PHE 115 -11.308 -14.843 8.121 944 HB2 PHE 115 2HB PHE 115 -9.370 -13.624 9.117 945 HB3 PHE 115 3HB PHE 115 -10.460 -12.611 8.196 946 HD1 PHE 115 1HD PHE 115 -9.703 -13.624 11.772 947 HD2 PHE 115 2HD PHE 115 -11.359 -10.635 9.130 948 HE1 PHE 115 1HE PHE 115 -10.065 -12.116 13.691 949 HE2 PHE 115 2HE PHE 115 -11.671 -9.115 11.061 950 HZ PHE 115 HZ PHE 115 -11.053 -9.863 13.347 951 H GLY 116 H GLY 116 -13.147 -15.352 10.634 952 HA2 GLY 116 1HA GLY 116 -12.065 -16.142 12.940 953 HA3 GLY 116 2HA GLY 116 -13.282 -17.099 12.099 954 H1 GLY 330 H GLY 330 26.899 1.197 -0.427 955 HA2 GLY 330 1HA GLY 330 27.789 -1.024 0.137 956 HA3 GLY 330 2HA GLY 330 27.450 -0.613 1.840 957 H ALA 331 H ALA 331 26.111 -1.772 -1.160 958 HA ALA 331 HA ALA 331 23.493 -2.243 0.161 959 HB1 ALA 331 1HB ALA 331 22.367 -1.342 -1.851 960 HB2 ALA 331 2HB ALA 331 23.340 -0.114 -1.034 961 HB3 ALA 331 3HB ALA 331 23.942 -0.862 -2.533 962 H MET 332 H MET 332 22.266 -3.915 -0.864 963 HA MET 332 HA MET 332 23.795 -5.766 -2.619 964 HB2 MET 332 1HB MET 332 23.440 -6.391 -0.184 965 HB3 MET 332 2HB MET 332 21.725 -6.546 -0.563 966 HG2 MET 332 1HG MET 332 22.228 -8.330 -2.178 967 HG3 MET 332 2HG MET 332 23.964 -8.067 -1.958 968 HE1 MET 332 1HE MET 332 23.529 -11.601 -0.317 969 HE2 MET 332 2HE MET 332 22.535 -11.029 -1.668 970 HE3 MET 332 3HE MET 332 24.277 -10.652 -1.621 971 H GLU 333 H GLU 333 22.394 -3.786 -3.864 972 HA GLU 333 HA GLU 333 19.667 -4.545 -4.542 973 HB2 GLU 333 1HB GLU 333 21.591 -2.596 -5.865 974 HB3 GLU 333 2HB GLU 333 19.860 -2.701 -6.199 975 HG2 GLU 333 1HG GLU 333 21.108 -1.901 -3.536 976 HG3 GLU 333 2HG GLU 333 20.553 -0.783 -4.761 977 H ILE 334 H ILE 334 20.864 -6.824 -4.880 978 HA ILE 334 HA ILE 334 22.242 -7.275 -7.406 979 HB ILE 334 HB ILE 334 22.160 -9.627 -6.737 980 HG12 ILE 334 1HG1 ILE 334 20.627 -8.747 -4.259 981 HG13 ILE 334 2HG1 ILE 334 19.928 -9.598 -5.636 982 HG21 ILE 334 1HG2 ILE 334 23.689 -9.440 -4.870 983 HG22 ILE 334 2HG2 ILE 334 23.941 -8.068 -5.947 984 HG23 ILE 334 3HG2 ILE 334 23.040 -7.849 -4.430 985 HD11 ILE 334 1HD1 ILE 334 21.416 -11.518 -5.252 986 HD12 ILE 334 2HD1 ILE 334 22.123 -10.694 -3.843 987 HD13 ILE 334 3HD1 ILE 334 20.414 -11.150 -3.832 988 H ILE 335 H ILE 335 21.372 -8.983 -8.923 989 HA ILE 335 HA ILE 335 18.644 -8.231 -9.750 990 HB ILE 335 HB ILE 335 20.828 -9.876 -11.107 991 HG12 ILE 335 1HG1 ILE 335 19.990 -6.988 -11.673 992 HG13 ILE 335 2HG1 ILE 335 21.400 -7.443 -10.737 993 HG21 ILE 335 1HG2 ILE 335 18.617 -10.450 -12.010 994 HG22 ILE 335 2HG2 ILE 335 18.245 -8.724 -12.253 995 HG23 ILE 335 3HG2 ILE 335 19.529 -9.526 -13.181 996 HD11 ILE 335 1HD1 ILE 335 22.274 -8.730 -12.723 997 HD12 ILE 335 2HD1 ILE 335 20.995 -7.937 -13.684 998 HD13 ILE 335 3HD1 ILE 335 22.226 -6.962 -12.870 999 H HIS 336 H HIS 336 20.526 -11.011 -8.552 1000 HA HIS 336 HA HIS 336 18.336 -12.890 -9.014 1001 HB2 HIS 336 1HB HIS 336 21.005 -13.204 -7.607 1002 HB3 HIS 336 2HB HIS 336 19.871 -14.502 -7.968 1003 HD1 HIS 336 HD1 HIS 336 22.731 -14.597 -9.160 1004 HD2 HIS 336 HD2 HIS 336 19.345 -13.013 -11.063 1005 HE1 HIS 336 HE1 HIS 336 23.252 -14.582 -11.687 1006 H GLU 337 H GLU 337 16.703 -11.809 -7.881 1007 HA GLU 337 HA GLU 337 16.729 -12.277 -4.958 1008 HB2 GLU 337 1HB GLU 337 16.280 -9.758 -6.499 1009 HB3 GLU 337 2HB GLU 337 14.976 -10.152 -5.392 1010 HG2 GLU 337 1HG GLU 337 17.917 -9.975 -4.637 1011 HG3 GLU 337 2HG GLU 337 16.709 -8.741 -4.305 1012 H ASP 338 H ASP 338 14.819 -13.302 -4.189 1013 HA ASP 338 HA ASP 338 13.383 -14.620 -6.299 1014 HB2 ASP 338 1HB ASP 338 13.721 -15.051 -3.471 1015 HB3 ASP 338 2HB ASP 338 12.018 -15.116 -3.849 1016 H ASN 339 H ASN 339 12.683 -11.705 -4.515 1017 HA ASN 339 HA ASN 339 9.940 -11.683 -5.698 1018 HB2 ASN 339 1HB ASN 339 10.943 -10.203 -3.262 1019 HB3 ASN 339 2HB ASN 339 9.426 -9.888 -4.060 1020 HD21 ASN 339 1HD2 ASN 339 9.624 -13.019 -1.475 1021 HD22 ASN 339 2HD2 ASN 339 10.959 -11.933 -1.729 1022 H GLU 340 H GLU 340 9.360 -9.857 -6.932 1023 HA GLU 340 HA GLU 340 11.616 -8.531 -8.189 1024 HB2 GLU 340 1HB GLU 340 8.696 -8.842 -8.723 1025 HB3 GLU 340 2HB GLU 340 9.439 -7.371 -9.342 1026 HG2 GLU 340 1HG GLU 340 9.565 -9.100 -11.039 1027 HG3 GLU 340 2HG GLU 340 11.159 -8.611 -10.501 1028 H TRP 341 H TRP 341 8.751 -7.159 -6.454 1029 HA TRP 341 HA TRP 341 8.374 -5.098 -5.625 1030 HB2 TRP 341 2HB TRP 341 11.313 -5.125 -4.930 1031 HB3 TRP 341 3HB TRP 341 10.088 -4.055 -4.274 1032 HD1 TRP 341 HD1 TRP 341 11.911 -6.982 -3.367 1033 HE1 TRP 341 1HE TRP 341 10.825 -8.296 -1.475 1034 HE3 TRP 341 3HE TRP 341 7.235 -4.869 -3.582 1035 HZ2 TRP 341 2HZ TRP 341 8.174 -8.524 -0.320 1036 HZ3 TRP 341 3HZ TRP 341 5.414 -5.770 -2.156 1037 HH2 TRP 341 HH2 TRP 341 5.870 -7.580 -0.513 1038 H GLY 342 H GLY 342 8.154 -4.847 -8.119 1039 HA2 GLY 342 1HA GLY 342 10.055 -2.993 -9.395 1040 HA3 GLY 342 2HA GLY 342 8.539 -3.616 -10.082 1041 H ILE 343 H ILE 343 9.683 -0.746 -9.654 1042 HA ILE 343 HA ILE 343 7.781 0.425 -7.775 1043 HB ILE 343 HB ILE 343 9.745 1.782 -9.653 1044 HG12 ILE 343 1HG1 ILE 343 10.027 1.275 -6.657 1045 HG13 ILE 343 2HG1 ILE 343 10.792 0.259 -7.887 1046 HG21 ILE 343 1HG2 ILE 343 7.907 3.289 -8.921 1047 HG22 ILE 343 2HG2 ILE 343 8.175 2.815 -7.233 1048 HG23 ILE 343 3HG2 ILE 343 9.402 3.748 -8.123 1049 HD11 ILE 343 1HD1 ILE 343 11.397 3.192 -7.405 1050 HD12 ILE 343 2HD1 ILE 343 12.410 1.790 -7.035 1051 HD13 ILE 343 3HD1 ILE 343 12.054 2.181 -8.726 1052 H GLU 344 H GLU 344 5.861 1.345 -8.188 1053 HA GLU 344 HA GLU 344 5.050 1.739 -11.016 1054 HB2 GLU 344 1HB GLU 344 4.155 -0.361 -9.509 1055 HB3 GLU 344 2HB GLU 344 3.049 0.893 -8.952 1056 HG2 GLU 344 1HG GLU 344 1.897 -0.006 -10.753 1057 HG3 GLU 344 2HG GLU 344 2.678 1.390 -11.508 1058 H LEU 345 H LEU 345 3.872 3.607 -11.364 1059 HA LEU 345 HA LEU 345 3.596 5.520 -9.108 1060 HB2 LEU 345 1HB LEU 345 3.231 6.092 -12.069 1061 HB3 LEU 345 2HB LEU 345 3.531 7.236 -10.767 1062 HG LEU 345 HG LEU 345 5.517 5.233 -11.951 1063 HD11 LEU 345 1HD1 LEU 345 5.504 8.274 -12.017 1064 HD12 LEU 345 2HD1 LEU 345 5.077 7.208 -13.369 1065 HD13 LEU 345 3HD1 LEU 345 6.735 7.208 -12.723 1066 HD21 LEU 345 1HD2 LEU 345 5.959 5.526 -9.532 1067 HD22 LEU 345 2HD2 LEU 345 6.004 7.295 -9.761 1068 HD23 LEU 345 3HD2 LEU 345 7.221 6.243 -10.528 1069 H VAL 346 H VAL 346 1.540 5.560 -8.215 1070 HA VAL 346 HA VAL 346 -0.739 4.633 -9.906 1071 HB VAL 346 HB VAL 346 -0.175 4.198 -6.947 1072 HG11 VAL 346 1HG1 VAL 346 -2.580 4.371 -7.393 1073 HG12 VAL 346 2HG1 VAL 346 -2.432 3.142 -8.687 1074 HG13 VAL 346 3HG1 VAL 346 -2.135 2.711 -6.986 1075 HG21 VAL 346 1HG2 VAL 346 -0.043 2.271 -9.304 1076 HG22 VAL 346 2HG2 VAL 346 1.284 2.728 -8.215 1077 HG23 VAL 346 3HG2 VAL 346 -0.052 1.762 -7.601 1078 H SER 347 H SER 347 -2.166 6.272 -10.275 1079 HA SER 347 HA SER 347 -3.013 8.032 -8.154 1080 HB2 SER 347 1HB SER 347 -2.330 10.145 -9.521 1081 HB3 SER 347 2HB SER 347 -1.208 9.352 -8.467 1082 HG SER 347 HG SER 347 -1.141 8.685 -11.204 1083 H GLU 348 H GLU 348 -5.093 8.308 -8.502 1084 HA GLU 348 HA GLU 348 -7.172 8.555 -9.369 1085 HB2 GLU 348 1HB GLU 348 -6.115 10.292 -10.803 1086 HB3 GLU 348 2HB GLU 348 -5.928 9.082 -12.078 1087 HG2 GLU 348 1HG GLU 348 -8.393 8.756 -12.110 1088 HG3 GLU 348 2HG GLU 348 -8.554 10.019 -10.885 Start of MODEL 17 1 H1 MET 1 H MET 1 7.042 -16.449 8.798 2 HA MET 1 HA MET 1 7.851 -15.313 6.777 3 HB2 MET 1 1HB MET 1 6.598 -15.676 4.676 4 HB3 MET 1 2HB MET 1 7.669 -16.989 5.147 5 HG2 MET 1 1HG MET 1 5.820 -18.365 5.850 6 HG3 MET 1 2HG MET 1 4.660 -17.055 5.639 7 HE1 MET 1 1HE MET 1 4.215 -19.993 2.876 8 HE2 MET 1 2HE MET 1 4.782 -20.082 4.557 9 HE3 MET 1 3HE MET 1 3.319 -19.148 4.156 10 H GLY 2 H GLY 2 7.229 -13.415 7.514 11 HA2 GLY 2 1HA GLY 2 4.317 -12.835 7.895 12 HA3 GLY 2 2HA GLY 2 5.687 -11.962 8.621 13 H TRP 3 H TRP 3 7.057 -10.671 7.286 14 HA TRP 3 HA TRP 3 5.795 -9.632 4.837 15 HB2 TRP 3 2HB TRP 3 7.646 -8.367 6.906 16 HB3 TRP 3 3HB TRP 3 7.270 -7.647 5.352 17 HD1 TRP 3 HD1 TRP 3 6.281 -7.163 8.714 18 HE1 TRP 3 1HE TRP 3 4.000 -6.109 8.931 19 HE3 TRP 3 3HE TRP 3 4.531 -8.159 4.041 20 HZ2 TRP 3 2HZ TRP 3 1.536 -6.058 7.393 21 HZ3 TRP 3 3HZ TRP 3 2.235 -7.559 3.398 22 HH2 TRP 3 HH2 TRP 3 0.691 -6.492 5.047 23 H MET 4 H MET 4 6.714 -10.336 3.038 24 HA MET 4 HA MET 4 9.116 -11.827 2.945 25 HB2 MET 4 1HB MET 4 7.547 -10.353 0.786 26 HB3 MET 4 2HB MET 4 9.032 -11.237 0.447 27 HG2 MET 4 1HG MET 4 7.208 -12.669 -0.048 28 HG3 MET 4 2HG MET 4 8.063 -13.302 1.352 29 HE1 MET 4 1HE MET 4 5.289 -14.359 0.342 30 HE2 MET 4 2HE MET 4 6.168 -14.989 1.754 31 HE3 MET 4 3HE MET 4 4.443 -14.577 1.890 32 H PHE 5 H PHE 5 8.535 -8.310 2.375 33 HA PHE 5 HA PHE 5 11.193 -7.746 1.552 34 HB2 PHE 5 2HB PHE 5 10.775 -5.418 2.370 35 HB3 PHE 5 3HB PHE 5 9.649 -6.020 1.182 36 HD1 PHE 5 1HD PHE 5 10.047 -5.183 4.813 37 HD2 PHE 5 2HD PHE 5 7.280 -6.145 1.634 38 HE1 PHE 5 1HE PHE 5 8.147 -4.609 6.266 39 HE2 PHE 5 2HE PHE 5 5.384 -5.493 3.098 40 HZ PHE 5 HZ PHE 5 5.824 -4.745 5.434 41 H LYS 6 H LYS 6 9.868 -7.942 4.911 42 HA LYS 6 HA LYS 6 12.360 -7.089 6.101 43 HB2 LYS 6 1HB LYS 6 10.124 -6.912 7.165 44 HB3 LYS 6 2HB LYS 6 10.090 -8.678 7.314 45 HG2 LYS 6 1HG LYS 6 12.174 -8.555 8.704 46 HG3 LYS 6 2HG LYS 6 12.122 -6.789 8.578 47 HD2 LYS 6 1HD LYS 6 9.570 -7.891 9.522 48 HD3 LYS 6 2HD LYS 6 10.873 -8.501 10.488 49 HE2 LYS 6 1HE LYS 6 10.318 -5.542 9.951 50 HE3 LYS 6 2HE LYS 6 9.859 -6.420 11.413 51 HZ1 LYS 6 1HZ LYS 6 12.289 -6.832 11.718 52 HZ2 LYS 6 2HZ LYS 6 11.808 -5.246 11.845 53 HZ3 LYS 6 3HZ LYS 6 12.570 -5.726 10.499 54 H GLU 7 H GLU 7 11.069 -10.306 5.198 55 HA GLU 7 HA GLU 7 13.194 -11.626 6.585 56 HB2 GLU 7 1HB GLU 7 10.939 -12.619 5.724 57 HB3 GLU 7 2HB GLU 7 11.770 -12.793 4.178 58 HG2 GLU 7 1HG GLU 7 12.034 -14.875 5.276 59 HG3 GLU 7 2HG GLU 7 13.596 -14.089 5.472 60 H ASP 8 H ASP 8 12.753 -10.647 3.146 61 HA ASP 8 HA ASP 8 15.314 -11.497 2.228 62 HB2 ASP 8 1HB ASP 8 13.287 -9.439 1.229 63 HB3 ASP 8 2HB ASP 8 14.821 -9.690 0.419 64 H HIS 9 H HIS 9 14.335 -8.042 2.333 65 HA HIS 9 HA HIS 9 16.483 -7.158 4.031 66 HB2 HIS 9 1HB HIS 9 17.419 -5.637 2.160 67 HB3 HIS 9 2HB HIS 9 17.962 -7.296 2.296 68 HD1 HIS 9 HD1 HIS 9 14.742 -6.423 0.419 69 HD2 HIS 9 HD2 HIS 9 18.734 -7.556 -0.211 70 HE1 HIS 9 HE1 HIS 9 14.878 -7.242 -2.018 71 H SER 10 H SER 10 15.454 -5.558 5.170 72 HA SER 10 HA SER 10 13.363 -3.992 3.700 73 HB2 SER 10 1HB SER 10 12.495 -5.241 5.570 74 HB3 SER 10 2HB SER 10 13.616 -4.446 6.699 75 HG SER 10 HG SER 10 12.518 -2.579 6.433 76 H LEU 11 H LEU 11 15.589 -3.447 6.471 77 HA LEU 11 HA LEU 11 15.954 -0.825 6.448 78 HB2 LEU 11 1HB LEU 11 18.079 -2.985 6.693 79 HB3 LEU 11 2HB LEU 11 18.406 -1.314 7.087 80 HG LEU 11 HG LEU 11 16.325 -3.034 8.463 81 HD11 LEU 11 1HD1 LEU 11 19.093 -2.079 9.335 82 HD12 LEU 11 2HD1 LEU 11 18.647 -3.744 8.892 83 HD13 LEU 11 3HD1 LEU 11 17.943 -2.996 10.327 84 HD21 LEU 11 1HD2 LEU 11 15.660 -0.682 8.628 85 HD22 LEU 11 2HD2 LEU 11 17.310 -0.192 9.050 86 HD23 LEU 11 3HD2 LEU 11 16.334 -1.173 10.170 87 H GLU 12 H GLU 12 18.110 -2.807 4.388 88 HA GLU 12 HA GLU 12 19.314 -0.490 3.204 89 HB2 GLU 12 1HB GLU 12 19.676 -3.373 3.114 90 HB3 GLU 12 2HB GLU 12 19.679 -2.746 1.470 91 HG2 GLU 12 1HG GLU 12 21.372 -1.645 3.764 92 HG3 GLU 12 2HG GLU 12 21.943 -2.779 2.536 93 H HIS 13 H HIS 13 16.886 -2.772 1.903 94 HA HIS 13 HA HIS 13 16.504 -1.602 -0.608 95 HB2 HIS 13 1HB HIS 13 15.607 -3.795 0.287 96 HB3 HIS 13 2HB HIS 13 14.353 -2.889 1.129 97 HD1 HIS 13 HD1 HIS 13 15.184 -4.377 -2.155 98 HD2 HIS 13 HD2 HIS 13 12.729 -1.314 -0.688 99 HE1 HIS 13 HE1 HIS 13 13.329 -4.062 -3.893 100 H ARG 14 H ARG 14 14.987 -0.855 2.502 101 HA ARG 14 HA ARG 14 13.098 1.116 1.667 102 HB2 ARG 14 1HB ARG 14 14.462 0.268 4.237 103 HB3 ARG 14 2HB ARG 14 13.831 1.863 4.175 104 HG2 ARG 14 1HG ARG 14 12.356 0.098 5.220 105 HG3 ARG 14 2HG ARG 14 11.592 1.197 4.077 106 HD2 ARG 14 1HD ARG 14 12.584 -1.549 3.312 107 HD3 ARG 14 2HD ARG 14 11.036 -1.315 4.130 108 HE ARG 14 HE ARG 14 11.046 0.451 1.942 109 HH11 ARG 14 1HH1 ARG 14 11.102 -2.948 2.700 110 HH12 ARG 14 2HH1 ARG 14 10.557 -3.494 1.105 111 HH21 ARG 14 1HH2 ARG 14 10.110 -0.216 -0.135 112 HH22 ARG 14 2HH2 ARG 14 9.980 -1.932 -0.456 113 H CYS 15 H CYS 15 16.459 1.468 2.972 114 HA CYS 15 HA CYS 15 16.575 4.265 2.763 115 HB2 CYS 15 2HB CYS 15 18.662 2.050 2.634 116 HB3 CYS 15 3HB CYS 15 19.116 3.746 2.458 117 HG CYS 15 HG CYS 15 19.517 2.757 4.891 118 H VAL 16 H VAL 16 17.451 1.799 0.301 119 HA VAL 16 HA VAL 16 18.351 3.693 -1.679 120 HB VAL 16 HB VAL 16 17.379 0.803 -1.820 121 HG11 VAL 16 1HG1 VAL 16 18.466 0.701 -4.069 122 HG12 VAL 16 2HG1 VAL 16 17.029 1.723 -4.050 123 HG13 VAL 16 3HG1 VAL 16 18.642 2.472 -4.032 124 HG21 VAL 16 1HG2 VAL 16 20.184 2.010 -1.999 125 HG22 VAL 16 2HG2 VAL 16 19.522 1.137 -0.590 126 HG23 VAL 16 3HG2 VAL 16 19.784 0.291 -2.110 127 H GLU 17 H GLU 17 15.166 2.007 -1.257 128 HA GLU 17 HA GLU 17 13.997 3.296 -3.482 129 HB2 GLU 17 1HB GLU 17 12.854 2.019 -0.963 130 HB3 GLU 17 2HB GLU 17 11.802 2.737 -2.173 131 HG2 GLU 17 1HG GLU 17 13.825 0.540 -2.767 132 HG3 GLU 17 2HG GLU 17 12.101 0.303 -2.479 133 H SER 18 H SER 18 13.856 4.299 0.041 134 HA SER 18 HA SER 18 12.183 6.505 -0.408 135 HB2 SER 18 1HB SER 18 14.412 6.178 1.641 136 HB3 SER 18 2HB SER 18 13.128 7.405 1.694 137 HG SER 18 HG SER 18 12.671 5.591 2.960 138 H ALA 19 H ALA 19 15.825 6.349 -0.608 139 HA ALA 19 HA ALA 19 16.116 9.108 -1.245 140 HB1 ALA 19 1HB ALA 19 17.963 7.602 -0.534 141 HB2 ALA 19 2HB ALA 19 17.850 6.722 -2.071 142 HB3 ALA 19 3HB ALA 19 18.352 8.426 -2.046 143 H LYS 20 H LYS 20 15.921 6.290 -3.462 144 HA LYS 20 HA LYS 20 16.083 7.755 -5.885 145 HB2 LYS 20 1HB LYS 20 14.797 5.059 -5.263 146 HB3 LYS 20 2HB LYS 20 15.120 5.636 -6.896 147 HG2 LYS 20 1HG LYS 20 17.359 5.438 -4.853 148 HG3 LYS 20 2HG LYS 20 16.827 4.016 -5.720 149 HD2 LYS 20 1HD LYS 20 17.516 6.477 -7.325 150 HD3 LYS 20 2HD LYS 20 18.824 5.582 -6.544 151 HE2 LYS 20 1HE LYS 20 18.055 3.481 -7.568 152 HE3 LYS 20 2HE LYS 20 16.779 4.348 -8.415 153 HZ1 LYS 20 1HZ LYS 20 18.822 4.002 -9.766 154 HZ2 LYS 20 2HZ LYS 20 19.673 4.957 -8.754 155 HZ3 LYS 20 3HZ LYS 20 18.453 5.582 -9.627 156 H ILE 21 H ILE 21 13.247 6.857 -3.910 157 HA ILE 21 HA ILE 21 11.339 7.782 -5.892 158 HB ILE 21 HB ILE 21 11.132 7.040 -2.948 159 HG12 ILE 21 1HG1 ILE 21 10.038 5.676 -5.458 160 HG13 ILE 21 2HG1 ILE 21 11.606 5.280 -4.799 161 HG21 ILE 21 1HG2 ILE 21 8.637 7.097 -3.244 162 HG22 ILE 21 2HG2 ILE 21 9.370 8.687 -3.324 163 HG23 ILE 21 3HG2 ILE 21 8.877 7.886 -4.829 164 HD11 ILE 21 1HD1 ILE 21 10.021 3.665 -4.004 165 HD12 ILE 21 2HD1 ILE 21 10.551 4.660 -2.633 166 HD13 ILE 21 3HD1 ILE 21 8.977 4.938 -3.382 167 H ARG 22 H ARG 22 12.778 9.278 -2.833 168 HA ARG 22 HA ARG 22 11.158 11.599 -3.157 169 HB2 ARG 22 1HB ARG 22 13.808 11.370 -1.736 170 HB3 ARG 22 2HB ARG 22 12.771 12.803 -1.761 171 HG2 ARG 22 1HG ARG 22 10.960 10.751 -1.104 172 HG3 ARG 22 2HG ARG 22 12.433 10.270 -0.286 173 HD2 ARG 22 1HD ARG 22 11.231 11.438 1.240 174 HD3 ARG 22 2HD ARG 22 12.504 12.577 0.775 175 HE ARG 22 HE ARG 22 10.092 13.014 -0.747 176 HH11 ARG 22 1HH1 ARG 22 11.155 13.317 2.676 177 HH12 ARG 22 2HH1 ARG 22 9.980 14.540 3.012 178 HH21 ARG 22 1HH2 ARG 22 8.470 14.541 -0.178 179 HH22 ARG 22 2HH2 ARG 22 8.417 15.156 1.421 180 H ALA 23 H ALA 23 14.291 10.652 -4.607 181 HA ALA 23 HA ALA 23 14.851 13.166 -5.805 182 HB1 ALA 23 1HB ALA 23 16.529 11.387 -5.630 183 HB2 ALA 23 2HB ALA 23 15.598 10.355 -6.746 184 HB3 ALA 23 3HB ALA 23 16.313 11.882 -7.320 185 H LYS 24 H LYS 24 13.011 10.331 -7.067 186 HA LYS 24 HA LYS 24 12.454 11.648 -9.638 187 HB2 LYS 24 1HB LYS 24 11.387 9.108 -8.317 188 HB3 LYS 24 2HB LYS 24 10.827 9.706 -9.881 189 HG2 LYS 24 1HG LYS 24 13.100 9.561 -10.796 190 HG3 LYS 24 2HG LYS 24 13.688 8.867 -9.277 191 HD2 LYS 24 1HD LYS 24 11.440 7.632 -10.929 192 HD3 LYS 24 2HD LYS 24 13.142 7.255 -11.190 193 HE2 LYS 24 1HE LYS 24 13.384 6.429 -8.907 194 HE3 LYS 24 2HE LYS 24 11.694 6.816 -8.545 195 HZ1 LYS 24 1HZ LYS 24 12.289 4.425 -9.278 196 HZ2 LYS 24 2HZ LYS 24 12.401 5.009 -10.774 197 HZ3 LYS 24 3HZ LYS 24 10.978 5.124 -10.022 198 H TYR 25 H TYR 25 10.431 10.897 -6.741 199 HA TYR 25 HA TYR 25 8.505 12.972 -7.571 200 HB2 TYR 25 2HB TYR 25 7.488 10.397 -6.432 201 HB3 TYR 25 3HB TYR 25 6.689 11.565 -7.439 202 HD1 TYR 25 1HD TYR 25 8.424 8.439 -7.181 203 HD2 TYR 25 2HD TYR 25 7.502 11.537 -10.038 204 HE1 TYR 25 1HE TYR 25 8.871 6.864 -9.020 205 HE2 TYR 25 2HE TYR 25 7.958 9.972 -11.886 206 HH TYR 25 HH TYR 25 8.771 6.517 -11.285 207 HA PRO 26 HA PRO 26 9.885 13.321 -3.167 208 HB2 PRO 26 2HB PRO 26 9.704 16.032 -2.912 209 HB3 PRO 26 3HB PRO 26 11.107 15.214 -3.657 210 HG2 PRO 26 2HG PRO 26 8.745 16.517 -5.028 211 HG3 PRO 26 3HG PRO 26 10.484 16.646 -5.448 212 HD2 PRO 26 2HD PRO 26 8.709 14.920 -6.664 213 HD3 PRO 26 3HD PRO 26 10.463 14.542 -6.519 214 H ASP 27 H ASP 27 6.972 14.442 -4.820 215 HA ASP 27 HA ASP 27 5.459 14.812 -2.341 216 HB2 ASP 27 1HB ASP 27 3.831 15.861 -3.743 217 HB3 ASP 27 2HB ASP 27 5.409 16.501 -4.192 218 H ARG 28 H ARG 28 6.335 12.059 -3.635 219 HA ARG 28 HA ARG 28 3.575 10.944 -3.369 220 HB2 ARG 28 1HB ARG 28 5.747 9.831 -5.189 221 HB3 ARG 28 2HB ARG 28 4.186 9.084 -4.846 222 HG2 ARG 28 1HG ARG 28 3.076 11.195 -5.735 223 HG3 ARG 28 2HG ARG 28 4.647 11.725 -6.312 224 HD2 ARG 28 1HD ARG 28 4.776 9.792 -7.814 225 HD3 ARG 28 2HD ARG 28 3.354 9.063 -7.060 226 HE ARG 28 HE ARG 28 1.928 10.497 -8.169 227 HH11 ARG 28 1HH1 ARG 28 5.270 11.613 -8.992 228 HH12 ARG 28 2HH1 ARG 28 4.705 12.212 -10.510 229 HH21 ARG 28 1HH2 ARG 28 1.326 11.709 -10.029 230 HH22 ARG 28 2HH2 ARG 28 2.575 12.341 -11.051 231 H VAL 29 H VAL 29 3.510 8.838 -2.298 232 HA VAL 29 HA VAL 29 5.836 8.394 -0.501 233 HB VAL 29 HB VAL 29 4.168 7.755 1.265 234 HG11 VAL 29 1HG1 VAL 29 3.508 10.228 1.593 235 HG12 VAL 29 2HG1 VAL 29 5.209 9.729 1.592 236 HG13 VAL 29 3HG1 VAL 29 4.540 10.518 0.190 237 HG21 VAL 29 1HG2 VAL 29 2.232 7.146 0.150 238 HG22 VAL 29 2HG2 VAL 29 1.861 8.627 1.049 239 HG23 VAL 29 3HG2 VAL 29 2.097 8.659 -0.698 240 HA PRO 30 HA PRO 30 5.783 4.221 -2.065 241 HB2 PRO 30 2HB PRO 30 7.605 3.070 -0.378 242 HB3 PRO 30 3HB PRO 30 8.055 4.266 -1.614 243 HG2 PRO 30 2HG PRO 30 7.672 4.687 1.334 244 HG3 PRO 30 3HG PRO 30 8.922 5.381 0.266 245 HD2 PRO 30 2HD PRO 30 6.585 6.688 1.059 246 HD3 PRO 30 3HD PRO 30 7.513 7.067 -0.421 247 H VAL 31 H VAL 31 4.047 2.915 -1.777 248 HA VAL 31 HA VAL 31 3.428 1.920 0.947 249 HB VAL 31 HB VAL 31 1.528 2.547 -1.362 250 HG11 VAL 31 1HG1 VAL 31 0.597 0.764 0.022 251 HG12 VAL 31 2HG1 VAL 31 1.114 1.575 1.518 252 HG13 VAL 31 3HG1 VAL 31 -0.187 2.259 0.551 253 HG21 VAL 31 1HG2 VAL 31 2.367 4.649 -0.363 254 HG22 VAL 31 2HG2 VAL 31 0.674 4.373 0.016 255 HG23 VAL 31 3HG2 VAL 31 1.908 4.050 1.250 256 H ILE 32 H ILE 32 2.870 -0.278 1.085 257 HA ILE 32 HA ILE 32 3.269 -1.958 -1.346 258 HB ILE 32 HB ILE 32 4.260 -2.455 1.497 259 HG12 ILE 32 1HG1 ILE 32 5.694 -2.150 -1.194 260 HG13 ILE 32 2HG1 ILE 32 5.692 -0.976 0.122 261 HG21 ILE 32 1HG2 ILE 32 5.065 -4.657 0.576 262 HG22 ILE 32 2HG2 ILE 32 3.317 -4.542 0.596 263 HG23 ILE 32 3HG2 ILE 32 4.179 -4.310 -0.930 264 HD11 ILE 32 1HD1 ILE 32 6.837 -2.680 1.583 265 HD12 ILE 32 2HD1 ILE 32 7.034 -3.693 0.132 266 HD13 ILE 32 3HD1 ILE 32 7.770 -2.095 0.190 267 H VAL 33 H VAL 33 1.516 -3.208 -1.742 268 HA VAL 33 HA VAL 33 -0.633 -3.400 0.301 269 HB VAL 33 HB VAL 33 -2.088 -3.662 -1.809 270 HG11 VAL 33 1HG1 VAL 33 -2.395 -1.738 -0.460 271 HG12 VAL 33 2HG1 VAL 33 -0.888 -0.978 -1.032 272 HG13 VAL 33 3HG1 VAL 33 -2.288 -1.159 -2.112 273 HG21 VAL 33 1HG2 VAL 33 0.159 -2.101 -3.176 274 HG22 VAL 33 2HG2 VAL 33 -0.233 -3.804 -3.508 275 HG23 VAL 33 3HG2 VAL 33 -1.420 -2.552 -3.845 276 H GLU 34 H GLU 34 -0.895 -5.498 1.034 277 HA GLU 34 HA GLU 34 -0.236 -7.727 -0.889 278 HB2 GLU 34 1HB GLU 34 0.610 -7.319 1.988 279 HB3 GLU 34 2HB GLU 34 0.567 -8.921 1.270 280 HG2 GLU 34 1HG GLU 34 2.119 -6.794 -0.216 281 HG3 GLU 34 2HG GLU 34 2.782 -7.369 1.292 282 H LYS 35 H LYS 35 -1.677 -9.586 -0.629 283 HA LYS 35 HA LYS 35 -4.059 -8.845 0.948 284 HB2 LYS 35 1HB LYS 35 -5.340 -10.491 -0.204 285 HB3 LYS 35 2HB LYS 35 -4.604 -9.319 -1.255 286 HG2 LYS 35 1HG LYS 35 -4.586 -11.327 -2.416 287 HG3 LYS 35 2HG LYS 35 -2.916 -11.015 -1.960 288 HD2 LYS 35 1HD LYS 35 -3.181 -12.666 -0.090 289 HD3 LYS 35 2HD LYS 35 -4.843 -12.993 -0.631 290 HE2 LYS 35 1HE LYS 35 -4.094 -13.955 -2.666 291 HE3 LYS 35 2HE LYS 35 -2.498 -13.179 -2.518 292 HZ1 LYS 35 1HZ LYS 35 -2.174 -15.405 -2.014 293 HZ2 LYS 35 2HZ LYS 35 -3.470 -15.485 -0.996 294 HZ3 LYS 35 3HZ LYS 35 -2.108 -14.619 -0.580 295 H VAL 36 H VAL 36 -5.150 -10.302 2.242 296 HA VAL 36 HA VAL 36 -3.533 -11.560 4.215 297 HB VAL 36 HB VAL 36 -6.498 -11.536 3.540 298 HG11 VAL 36 1HG1 VAL 36 -7.026 -12.553 5.651 299 HG12 VAL 36 2HG1 VAL 36 -6.055 -13.672 4.730 300 HG13 VAL 36 3HG1 VAL 36 -5.299 -12.761 6.057 301 HG21 VAL 36 1HG2 VAL 36 -4.815 -10.222 5.711 302 HG22 VAL 36 2HG2 VAL 36 -5.587 -9.411 4.343 303 HG23 VAL 36 3HG2 VAL 36 -6.585 -10.128 5.613 304 H SER 37 H SER 37 -2.765 -13.635 4.355 305 HA SER 37 HA SER 37 -2.762 -15.337 2.055 306 HB2 SER 37 1HB SER 37 -0.966 -15.330 3.763 307 HB3 SER 37 2HB SER 37 -2.139 -15.904 4.973 308 HG SER 37 HG SER 37 -1.040 -17.258 2.735 309 H GLY 38 H GLY 38 -4.258 -16.855 1.451 310 HA2 GLY 38 1HA GLY 38 -5.897 -18.445 1.744 311 HA3 GLY 38 2HA GLY 38 -6.163 -17.928 3.412 312 H SER 39 H SER 39 -6.132 -15.071 1.565 313 HA SER 39 HA SER 39 -9.056 -14.956 1.688 314 HB2 SER 39 1HB SER 39 -7.319 -13.044 2.149 315 HB3 SER 39 2HB SER 39 -7.320 -12.840 0.395 316 HG SER 39 HG SER 39 -9.729 -12.676 0.661 317 H GLN 40 H GLN 40 -10.384 -15.104 -0.094 318 HA GLN 40 HA GLN 40 -9.564 -16.673 -2.307 319 HB2 GLN 40 1HB GLN 40 -12.078 -15.061 -1.719 320 HB3 GLN 40 2HB GLN 40 -11.922 -16.157 -3.074 321 HG2 GLN 40 1HG GLN 40 -13.151 -17.056 -1.038 322 HG3 GLN 40 2HG GLN 40 -11.911 -18.061 -1.781 323 HE21 GLN 40 1HE2 GLN 40 -9.730 -18.102 1.026 324 HE22 GLN 40 2HE2 GLN 40 -9.963 -18.561 -0.625 325 H ILE 41 H ILE 41 -9.805 -13.213 -1.877 326 HA ILE 41 HA ILE 41 -10.086 -12.359 -4.513 327 HB ILE 41 HB ILE 41 -10.340 -10.950 -2.526 328 HG12 ILE 41 1HG1 ILE 41 -9.281 -8.884 -3.313 329 HG13 ILE 41 2HG1 ILE 41 -8.305 -9.764 -4.456 330 HG21 ILE 41 1HG2 ILE 41 -8.394 -11.715 -1.208 331 HG22 ILE 41 2HG2 ILE 41 -7.301 -10.903 -2.329 332 HG23 ILE 41 3HG2 ILE 41 -8.436 -9.961 -1.350 333 HD11 ILE 41 1HD1 ILE 41 -10.345 -8.704 -5.447 334 HD12 ILE 41 2HD1 ILE 41 -10.330 -10.457 -5.685 335 HD13 ILE 41 3HD1 ILE 41 -11.359 -9.744 -4.426 336 H VAL 42 H VAL 42 -8.613 -11.505 -6.048 337 HA VAL 42 HA VAL 42 -6.550 -13.193 -6.788 338 HB VAL 42 HB VAL 42 -5.913 -11.355 -8.368 339 HG11 VAL 42 1HG1 VAL 42 -7.781 -12.955 -8.892 340 HG12 VAL 42 2HG1 VAL 42 -8.928 -11.788 -8.209 341 HG13 VAL 42 3HG1 VAL 42 -7.994 -11.368 -9.644 342 HG21 VAL 42 1HG2 VAL 42 -7.146 -9.333 -8.531 343 HG22 VAL 42 2HG2 VAL 42 -8.089 -9.705 -7.071 344 HG23 VAL 42 3HG2 VAL 42 -6.343 -9.405 -6.962 345 H ASP 43 H ASP 43 -4.390 -13.329 -6.477 346 HA ASP 43 HA ASP 43 -3.218 -11.909 -4.211 347 HB2 ASP 43 1HB ASP 43 -2.615 -14.275 -4.782 348 HB3 ASP 43 2HB ASP 43 -1.924 -13.706 -6.305 349 H ILE 44 H ILE 44 -1.212 -10.589 -4.434 350 HA ILE 44 HA ILE 44 -1.033 -9.200 -7.049 351 HB ILE 44 HB ILE 44 -2.370 -7.851 -5.528 352 HG12 ILE 44 1HG1 ILE 44 0.320 -6.491 -5.813 353 HG13 ILE 44 2HG1 ILE 44 -0.650 -6.929 -7.223 354 HG21 ILE 44 1HG2 ILE 44 -1.264 -6.786 -3.516 355 HG22 ILE 44 2HG2 ILE 44 -1.590 -8.516 -3.335 356 HG23 ILE 44 3HG2 ILE 44 0.055 -7.937 -3.673 357 HD11 ILE 44 1HD1 ILE 44 -1.661 -5.135 -4.978 358 HD12 ILE 44 2HD1 ILE 44 -1.010 -4.596 -6.530 359 HD13 ILE 44 3HD1 ILE 44 -2.507 -5.542 -6.487 360 H ASP 45 H ASP 45 0.987 -8.687 -7.705 361 HA ASP 45 HA ASP 45 3.125 -10.312 -6.656 362 HB2 ASP 45 1HB ASP 45 2.916 -8.107 -8.744 363 HB3 ASP 45 2HB ASP 45 4.486 -8.746 -8.258 364 H LYS 46 H LYS 46 5.228 -9.324 -6.005 365 HA LYS 46 HA LYS 46 4.828 -7.441 -3.740 366 HB2 LYS 46 1HB LYS 46 7.197 -8.954 -4.956 367 HB3 LYS 46 2HB LYS 46 7.431 -7.634 -3.816 368 HG2 LYS 46 1HG LYS 46 7.502 -9.504 -2.459 369 HG3 LYS 46 2HG LYS 46 5.912 -8.831 -2.189 370 HD2 LYS 46 1HD LYS 46 5.758 -10.822 -4.345 371 HD3 LYS 46 2HD LYS 46 6.652 -11.465 -2.982 372 HE2 LYS 46 1HE LYS 46 4.417 -12.008 -2.458 373 HE3 LYS 46 2HE LYS 46 4.801 -10.602 -1.470 374 HZ1 LYS 46 1HZ LYS 46 2.794 -10.078 -2.335 375 HZ2 LYS 46 2HZ LYS 46 3.029 -10.737 -3.816 376 HZ3 LYS 46 3HZ LYS 46 3.752 -9.306 -3.399 377 H ARG 47 H ARG 47 4.219 -5.436 -4.542 378 HA ARG 47 HA ARG 47 6.125 -4.189 -6.445 379 HB2 ARG 47 1HB ARG 47 3.111 -3.880 -6.586 380 HB3 ARG 47 2HB ARG 47 4.279 -3.119 -7.653 381 HG2 ARG 47 1HG ARG 47 3.638 -6.086 -7.473 382 HG3 ARG 47 2HG ARG 47 3.150 -4.984 -8.729 383 HD2 ARG 47 1HD ARG 47 6.062 -5.603 -8.283 384 HD3 ARG 47 2HD ARG 47 5.004 -6.604 -9.278 385 HE ARG 47 HE ARG 47 5.007 -3.747 -9.866 386 HH11 ARG 47 1HH1 ARG 47 6.409 -6.995 -10.771 387 HH12 ARG 47 2HH1 ARG 47 6.986 -6.411 -12.259 388 HH21 ARG 47 1HH2 ARG 47 5.726 -3.105 -11.943 389 HH22 ARG 47 2HH2 ARG 47 6.702 -4.148 -12.894 390 H LYS 48 H LYS 48 6.236 -1.978 -6.328 391 HA LYS 48 HA LYS 48 5.591 -0.866 -3.621 392 HB2 LYS 48 1HB LYS 48 7.754 0.003 -5.576 393 HB3 LYS 48 2HB LYS 48 7.517 0.578 -3.926 394 HG2 LYS 48 1HG LYS 48 7.887 -1.748 -3.092 395 HG3 LYS 48 2HG LYS 48 8.168 -2.318 -4.713 396 HD2 LYS 48 1HD LYS 48 9.893 -0.119 -3.562 397 HD3 LYS 48 2HD LYS 48 10.179 -1.844 -3.238 398 HE2 LYS 48 1HE LYS 48 9.991 -2.185 -5.769 399 HE3 LYS 48 2HE LYS 48 10.196 -0.445 -5.927 400 HZ1 LYS 48 1HZ LYS 48 12.355 -0.592 -5.334 401 HZ2 LYS 48 2HZ LYS 48 12.220 -2.088 -5.976 402 HZ3 LYS 48 3HZ LYS 48 12.164 -1.905 -4.356 403 H TYR 49 H TYR 49 3.613 0.093 -3.818 404 HA TYR 49 HA TYR 49 2.859 1.535 -6.268 405 HB2 TYR 49 2HB TYR 49 1.476 0.781 -3.682 406 HB3 TYR 49 3HB TYR 49 0.833 2.046 -4.708 407 HD1 TYR 49 1HD TYR 49 2.437 -0.871 -6.410 408 HD2 TYR 49 2HD TYR 49 -1.263 0.839 -4.943 409 HE1 TYR 49 1HE TYR 49 1.158 -2.424 -7.812 410 HE2 TYR 49 2HE TYR 49 -2.533 -0.724 -6.359 411 HH TYR 49 HH TYR 49 -1.003 -3.272 -8.316 412 H LEU 50 H LEU 50 3.235 3.688 -6.517 413 HA LEU 50 HA LEU 50 4.047 5.290 -4.110 414 HB2 LEU 50 1HB LEU 50 4.599 6.035 -6.994 415 HB3 LEU 50 2HB LEU 50 5.212 6.777 -5.526 416 HG LEU 50 HG LEU 50 5.921 4.069 -6.703 417 HD11 LEU 50 1HD1 LEU 50 8.198 5.143 -6.753 418 HD12 LEU 50 2HD1 LEU 50 7.469 6.628 -6.135 419 HD13 LEU 50 3HD1 LEU 50 6.986 6.004 -7.727 420 HD21 LEU 50 1HD2 LEU 50 5.894 3.723 -4.290 421 HD22 LEU 50 2HD2 LEU 50 6.797 5.229 -4.026 422 HD23 LEU 50 3HD2 LEU 50 7.557 3.824 -4.840 423 H VAL 51 H VAL 51 2.319 6.468 -3.323 424 HA VAL 51 HA VAL 51 0.422 7.509 -5.349 425 HB VAL 51 HB VAL 51 -1.198 7.476 -3.581 426 HG11 VAL 51 1HG1 VAL 51 -0.706 5.463 -5.069 427 HG12 VAL 51 2HG1 VAL 51 0.168 4.755 -3.698 428 HG13 VAL 51 3HG1 VAL 51 -1.558 5.137 -3.565 429 HG21 VAL 51 1HG2 VAL 51 -0.778 6.223 -1.471 430 HG22 VAL 51 2HG2 VAL 51 0.955 6.243 -1.813 431 HG23 VAL 51 3HG2 VAL 51 0.076 7.767 -1.543 432 HA PRO 52 HA PRO 52 1.695 11.656 -4.269 433 HB2 PRO 52 2HB PRO 52 -0.386 13.113 -5.273 434 HB3 PRO 52 3HB PRO 52 0.825 12.297 -6.328 435 HG2 PRO 52 2HG PRO 52 -1.934 11.387 -5.539 436 HG3 PRO 52 3HG PRO 52 -1.232 11.328 -7.125 437 HD2 PRO 52 2HD PRO 52 -1.300 9.146 -5.467 438 HD3 PRO 52 3HD PRO 52 0.064 9.409 -6.595 439 H SER 53 H SER 53 1.508 13.063 -2.561 440 HA SER 53 HA SER 53 -0.154 12.405 -0.390 441 HB2 SER 53 1HB SER 53 0.537 14.929 0.239 442 HB3 SER 53 2HB SER 53 1.601 13.545 0.409 443 HG SER 53 HG SER 53 2.150 15.670 -0.870 444 H ASP 54 H ASP 54 -0.924 14.215 -3.136 445 HA ASP 54 HA ASP 54 -2.906 16.042 -2.039 446 HB2 ASP 54 1HB ASP 54 -1.765 16.476 -4.178 447 HB3 ASP 54 2HB ASP 54 -2.508 15.035 -4.886 448 H ILE 55 H ILE 55 -3.153 12.701 -3.372 449 HA ILE 55 HA ILE 55 -6.074 12.937 -3.413 450 HB ILE 55 HB ILE 55 -6.087 10.611 -4.016 451 HG12 ILE 55 1HG1 ILE 55 -3.203 10.212 -4.435 452 HG13 ILE 55 2HG1 ILE 55 -3.593 10.351 -2.750 453 HG21 ILE 55 1HG2 ILE 55 -4.102 12.217 -5.656 454 HG22 ILE 55 2HG2 ILE 55 -5.004 10.793 -6.212 455 HG23 ILE 55 3HG2 ILE 55 -5.863 12.273 -5.762 456 HD11 ILE 55 1HD1 ILE 55 -3.676 8.012 -3.510 457 HD12 ILE 55 2HD1 ILE 55 -5.285 8.553 -2.989 458 HD13 ILE 55 3HD1 ILE 55 -4.901 8.430 -4.724 459 H THR 56 H THR 56 -7.482 11.388 -2.160 460 HA THR 56 HA THR 56 -6.564 11.198 0.643 461 HB THR 56 HB THR 56 -9.065 11.079 1.038 462 HG1 THR 56 1HG THR 56 -10.319 11.870 -0.780 463 HG21 THR 56 1HG2 THR 56 -9.483 13.468 0.660 464 HG22 THR 56 2HG2 THR 56 -8.087 13.564 -0.427 465 HG23 THR 56 3HG2 THR 56 -7.872 13.208 1.307 466 H VAL 57 H VAL 57 -7.556 9.372 1.850 467 HA VAL 57 HA VAL 57 -6.750 6.863 0.804 468 HB VAL 57 HB VAL 57 -8.626 7.678 2.997 469 HG11 VAL 57 1HG1 VAL 57 -9.267 5.365 2.462 470 HG12 VAL 57 2HG1 VAL 57 -7.568 4.865 2.499 471 HG13 VAL 57 3HG1 VAL 57 -8.384 5.398 3.987 472 HG21 VAL 57 1HG2 VAL 57 -5.795 6.596 3.118 473 HG22 VAL 57 2HG2 VAL 57 -6.240 8.316 3.300 474 HG23 VAL 57 3HG2 VAL 57 -6.767 7.138 4.502 475 H ALA 58 H ALA 58 -9.919 8.558 0.616 476 HA ALA 58 HA ALA 58 -11.491 6.363 -0.251 477 HB1 ALA 58 1HB ALA 58 -12.956 8.095 -1.251 478 HB2 ALA 58 2HB ALA 58 -12.420 8.604 0.362 479 HB3 ALA 58 3HB ALA 58 -11.673 9.305 -1.080 480 H GLN 59 H GLN 59 -9.473 8.686 -2.142 481 HA GLN 59 HA GLN 59 -10.062 7.520 -4.708 482 HB2 GLN 59 1HB GLN 59 -7.644 9.099 -3.748 483 HB3 GLN 59 2HB GLN 59 -7.992 8.756 -5.429 484 HG2 GLN 59 1HG GLN 59 -9.771 10.429 -3.607 485 HG3 GLN 59 2HG GLN 59 -8.532 11.079 -4.664 486 HE21 GLN 59 1HE2 GLN 59 -11.801 11.458 -6.393 487 HE22 GLN 59 2HE2 GLN 59 -11.056 12.007 -4.906 488 H PHE 60 H PHE 60 -7.295 7.157 -2.415 489 HA PHE 60 HA PHE 60 -5.824 5.365 -3.947 490 HB2 PHE 60 2HB PHE 60 -4.984 6.495 -1.918 491 HB3 PHE 60 3HB PHE 60 -6.045 5.516 -0.918 492 HD1 PHE 60 1HD PHE 60 -4.291 4.612 0.483 493 HD2 PHE 60 2HD PHE 60 -4.049 4.170 -3.804 494 HE1 PHE 60 1HE PHE 60 -2.438 3.004 0.740 495 HE2 PHE 60 2HE PHE 60 -2.290 2.475 -3.532 496 HZ PHE 60 HZ PHE 60 -1.469 1.876 -1.273 497 H MET 61 H MET 61 -8.205 4.515 -1.388 498 HA MET 61 HA MET 61 -8.047 1.724 -1.651 499 HB2 MET 61 1HB MET 61 -9.158 2.822 0.237 500 HB3 MET 61 2HB MET 61 -10.421 3.466 -0.834 501 HG2 MET 61 1HG MET 61 -11.205 1.227 -1.365 502 HG3 MET 61 2HG MET 61 -9.834 0.497 -0.544 503 HE1 MET 61 1HE MET 61 -12.230 3.456 0.882 504 HE2 MET 61 2HE MET 61 -13.257 2.394 -0.110 505 HE3 MET 61 3HE MET 61 -13.443 2.413 1.656 506 H TRP 62 H TRP 62 -10.212 4.067 -3.397 507 HA TRP 62 HA TRP 62 -11.666 2.078 -4.811 508 HB2 TRP 62 2HB TRP 62 -11.154 4.997 -5.191 509 HB3 TRP 62 3HB TRP 62 -11.770 4.067 -6.544 510 HD1 TRP 62 HD1 TRP 62 -12.755 4.278 -2.792 511 HE1 TRP 62 1HE TRP 62 -15.271 4.372 -2.611 512 HE3 TRP 62 3HE TRP 62 -13.859 3.944 -7.769 513 HZ2 TRP 62 2HZ TRP 62 -17.565 4.257 -4.469 514 HZ3 TRP 62 3HZ TRP 62 -16.214 3.967 -8.545 515 HH2 TRP 62 HH2 TRP 62 -18.057 4.144 -6.915 516 H ILE 63 H ILE 63 -8.606 3.797 -5.624 517 HA ILE 63 HA ILE 63 -8.393 2.579 -8.186 518 HB ILE 63 HB ILE 63 -6.238 3.740 -6.393 519 HG12 ILE 63 1HG1 ILE 63 -7.443 5.094 -8.837 520 HG13 ILE 63 2HG1 ILE 63 -8.295 5.219 -7.324 521 HG21 ILE 63 1HG2 ILE 63 -5.075 4.025 -8.647 522 HG22 ILE 63 2HG2 ILE 63 -5.215 2.339 -8.122 523 HG23 ILE 63 3HG2 ILE 63 -6.316 2.992 -9.348 524 HD11 ILE 63 1HD1 ILE 63 -5.472 6.176 -7.868 525 HD12 ILE 63 2HD1 ILE 63 -6.910 7.136 -7.450 526 HD13 ILE 63 3HD1 ILE 63 -6.176 6.090 -6.235 527 H ILE 64 H ILE 64 -7.212 1.445 -4.929 528 HA ILE 64 HA ILE 64 -5.783 -0.786 -5.974 529 HB ILE 64 HB ILE 64 -7.273 -0.591 -3.318 530 HG12 ILE 64 1HG1 ILE 64 -4.280 -0.257 -3.822 531 HG13 ILE 64 2HG1 ILE 64 -5.402 1.090 -3.718 532 HG21 ILE 64 1HG2 ILE 64 -5.108 -2.573 -4.186 533 HG22 ILE 64 2HG2 ILE 64 -5.810 -2.466 -2.557 534 HG23 ILE 64 3HG2 ILE 64 -6.812 -2.974 -3.899 535 HD11 ILE 64 1HD1 ILE 64 -4.788 -0.842 -1.467 536 HD12 ILE 64 2HD1 ILE 64 -4.364 0.863 -1.594 537 HD13 ILE 64 3HD1 ILE 64 -6.065 0.401 -1.423 538 H ARG 65 H ARG 65 -9.244 -0.593 -4.870 539 HA ARG 65 HA ARG 65 -9.805 -3.299 -5.599 540 HB2 ARG 65 1HB ARG 65 -12.145 -2.802 -5.480 541 HB3 ARG 65 2HB ARG 65 -11.257 -2.186 -4.092 542 HG2 ARG 65 1HG ARG 65 -11.327 0.046 -4.964 543 HG3 ARG 65 2HG ARG 65 -12.147 -0.469 -6.452 544 HD2 ARG 65 1HD ARG 65 -13.242 -0.788 -3.642 545 HD3 ARG 65 2HD ARG 65 -13.639 0.566 -4.714 546 HE ARG 65 HE ARG 65 -14.157 -1.686 -6.206 547 HH11 ARG 65 1HH1 ARG 65 -15.327 -0.333 -3.146 548 HH12 ARG 65 2HH1 ARG 65 -16.994 -0.748 -3.387 549 HH21 ARG 65 1HH2 ARG 65 -16.360 -2.201 -6.610 550 HH22 ARG 65 2HH2 ARG 65 -17.565 -2.006 -5.379 551 H LYS 66 H LYS 66 -9.936 -0.358 -7.667 552 HA LYS 66 HA LYS 66 -11.041 -1.938 -9.832 553 HB2 LYS 66 1HB LYS 66 -9.672 0.774 -9.894 554 HB3 LYS 66 2HB LYS 66 -10.434 -0.030 -11.280 555 HG2 LYS 66 1HG LYS 66 -12.560 -0.219 -9.833 556 HG3 LYS 66 2HG LYS 66 -11.798 0.944 -8.753 557 HD2 LYS 66 1HD LYS 66 -12.551 1.339 -11.665 558 HD3 LYS 66 2HD LYS 66 -13.310 2.071 -10.250 559 HE2 LYS 66 1HE LYS 66 -11.133 3.225 -9.734 560 HE3 LYS 66 2HE LYS 66 -10.467 2.570 -11.236 561 HZ1 LYS 66 1HZ LYS 66 -12.781 4.394 -11.018 562 HZ2 LYS 66 2HZ LYS 66 -12.209 3.759 -12.436 563 HZ3 LYS 66 3HZ LYS 66 -11.306 4.805 -11.546 564 H ARG 67 H ARG 67 -7.666 -1.079 -8.912 565 HA ARG 67 HA ARG 67 -6.521 -2.150 -11.271 566 HB2 ARG 67 1HB ARG 67 -5.403 -0.627 -9.621 567 HB3 ARG 67 2HB ARG 67 -5.212 -1.991 -8.518 568 HG2 ARG 67 1HG ARG 67 -3.650 -3.050 -9.896 569 HG3 ARG 67 2HG ARG 67 -4.246 -2.290 -11.373 570 HD2 ARG 67 1HD ARG 67 -2.902 -0.641 -9.218 571 HD3 ARG 67 2HD ARG 67 -1.974 -1.521 -10.422 572 HE ARG 67 HE ARG 67 -3.713 0.833 -10.852 573 HH11 ARG 67 1HH1 ARG 67 -1.478 -1.495 -12.359 574 HH12 ARG 67 2HH1 ARG 67 -1.198 -0.522 -13.737 575 HH21 ARG 67 1HH2 ARG 67 -3.411 2.051 -12.655 576 HH22 ARG 67 2HH2 ARG 67 -2.403 1.534 -13.974 577 H ILE 68 H ILE 68 -7.264 -3.754 -8.118 578 HA ILE 68 HA ILE 68 -6.282 -6.296 -9.155 579 HB ILE 68 HB ILE 68 -6.949 -7.272 -7.120 580 HG12 ILE 68 1HG1 ILE 68 -8.588 -4.782 -6.569 581 HG13 ILE 68 2HG1 ILE 68 -9.198 -6.412 -6.866 582 HG21 ILE 68 1HG2 ILE 68 -4.937 -5.803 -7.092 583 HG22 ILE 68 2HG2 ILE 68 -5.918 -4.499 -6.395 584 HG23 ILE 68 3HG2 ILE 68 -5.674 -6.015 -5.508 585 HD11 ILE 68 1HD1 ILE 68 -9.380 -6.005 -4.530 586 HD12 ILE 68 2HD1 ILE 68 -8.078 -7.185 -4.777 587 HD13 ILE 68 3HD1 ILE 68 -7.690 -5.486 -4.401 588 H GLN 69 H GLN 69 -8.958 -4.501 -9.921 589 HA GLN 69 HA GLN 69 -10.925 -4.816 -10.899 590 HB2 GLN 69 1HB GLN 69 -9.712 -7.463 -11.798 591 HB3 GLN 69 2HB GLN 69 -11.081 -6.634 -12.538 592 HG2 GLN 69 1HG GLN 69 -9.623 -4.702 -13.084 593 HG3 GLN 69 2HG GLN 69 -8.242 -5.528 -12.378 594 HE21 GLN 69 1HE2 GLN 69 -7.810 -7.851 -15.093 595 HE22 GLN 69 2HE2 GLN 69 -7.431 -7.498 -13.411 596 H LEU 70 H LEU 70 -11.383 -4.988 -8.434 597 HA LEU 70 HA LEU 70 -12.258 -7.405 -7.276 598 HB2 LEU 70 1HB LEU 70 -11.628 -5.475 -5.982 599 HB3 LEU 70 2HB LEU 70 -12.931 -4.515 -6.663 600 HG LEU 70 HG LEU 70 -13.093 -5.487 -4.191 601 HD11 LEU 70 1HD1 LEU 70 -15.506 -5.621 -5.996 602 HD12 LEU 70 2HD1 LEU 70 -14.862 -4.180 -5.189 603 HD13 LEU 70 3HD1 LEU 70 -15.490 -5.553 -4.247 604 HD21 LEU 70 1HD2 LEU 70 -12.637 -7.820 -4.838 605 HD22 LEU 70 2HD2 LEU 70 -14.213 -7.853 -5.668 606 HD23 LEU 70 3HD2 LEU 70 -14.143 -7.582 -3.946 607 HA PRO 71 HA PRO 71 -16.087 -7.512 -9.801 608 HB2 PRO 71 2HB PRO 71 -16.923 -10.033 -9.122 609 HB3 PRO 71 3HB PRO 71 -15.570 -9.761 -10.267 610 HG2 PRO 71 2HG PRO 71 -15.370 -10.308 -7.287 611 HG3 PRO 71 3HG PRO 71 -14.521 -11.161 -8.617 612 HD2 PRO 71 2HD PRO 71 -13.366 -9.178 -7.208 613 HD3 PRO 71 3HD PRO 71 -13.126 -9.308 -8.965 614 H SER 72 H SER 72 -18.432 -7.453 -9.146 615 HA SER 72 HA SER 72 -18.772 -6.417 -6.503 616 HB2 SER 72 1HB SER 72 -21.270 -6.700 -7.151 617 HB3 SER 72 2HB SER 72 -20.252 -5.566 -8.046 618 HG SER 72 HG SER 72 -21.631 -7.637 -8.972 619 H GLU 73 H GLU 73 -18.771 -9.709 -7.631 620 HA GLU 73 HA GLU 73 -20.505 -10.846 -5.667 621 HB2 GLU 73 1HB GLU 73 -19.626 -12.961 -6.374 622 HB3 GLU 73 2HB GLU 73 -19.713 -11.934 -7.799 623 HG2 GLU 73 1HG GLU 73 -17.209 -11.363 -7.142 624 HG3 GLU 73 2HG GLU 73 -17.313 -12.893 -6.268 625 H LYS 74 H LYS 74 -17.177 -9.705 -5.550 626 HA LYS 74 HA LYS 74 -16.846 -10.807 -2.829 627 HB2 LYS 74 1HB LYS 74 -14.660 -9.815 -4.671 628 HB3 LYS 74 2HB LYS 74 -14.452 -10.572 -3.092 629 HG2 LYS 74 1HG LYS 74 -15.424 -11.847 -5.655 630 HG3 LYS 74 2HG LYS 74 -13.913 -12.119 -4.837 631 HD2 LYS 74 1HD LYS 74 -16.638 -12.819 -3.653 632 HD3 LYS 74 2HD LYS 74 -15.657 -13.933 -4.565 633 HE2 LYS 74 1HE LYS 74 -14.175 -14.298 -2.874 634 HE3 LYS 74 2HE LYS 74 -14.167 -12.604 -2.382 635 HZ1 LYS 74 1HZ LYS 74 -16.227 -12.931 -1.217 636 HZ2 LYS 74 2HZ LYS 74 -15.057 -13.944 -0.692 637 HZ3 LYS 74 3HZ LYS 74 -16.286 -14.523 -1.623 638 H ALA 75 H ALA 75 -15.556 -9.464 -1.374 639 HA ALA 75 HA ALA 75 -16.499 -6.640 -1.407 640 HB1 ALA 75 1HB ALA 75 -15.667 -8.487 0.890 641 HB2 ALA 75 2HB ALA 75 -16.304 -6.838 1.056 642 HB3 ALA 75 3HB ALA 75 -17.341 -8.125 0.434 643 H ILE 76 H ILE 76 -14.809 -5.313 0.093 644 HA ILE 76 HA ILE 76 -12.072 -6.175 -0.172 645 HB ILE 76 HB ILE 76 -12.182 -5.026 -2.245 646 HG12 ILE 76 1HG1 ILE 76 -10.814 -2.906 -1.676 647 HG13 ILE 76 2HG1 ILE 76 -10.856 -3.402 -0.024 648 HG21 ILE 76 1HG2 ILE 76 -14.278 -3.802 -2.006 649 HG22 ILE 76 2HG2 ILE 76 -13.523 -2.686 -0.845 650 HG23 ILE 76 3HG2 ILE 76 -12.983 -2.734 -2.532 651 HD11 ILE 76 1HD1 ILE 76 -9.720 -5.497 -0.569 652 HD12 ILE 76 2HD1 ILE 76 -9.734 -5.065 -2.300 653 HD13 ILE 76 3HD1 ILE 76 -8.803 -4.098 -1.148 654 H PHE 77 H PHE 77 -10.929 -5.492 1.530 655 HA PHE 77 HA PHE 77 -11.951 -3.330 3.273 656 HB2 PHE 77 2HB PHE 77 -11.342 -6.155 4.259 657 HB3 PHE 77 3HB PHE 77 -11.605 -4.755 5.285 658 HD1 PHE 77 1HD PHE 77 -13.214 -7.422 3.421 659 HD2 PHE 77 2HD PHE 77 -13.865 -3.578 5.272 660 HE1 PHE 77 1HE PHE 77 -15.656 -7.840 3.439 661 HE2 PHE 77 2HE PHE 77 -16.305 -4.023 5.329 662 HZ PHE 77 HZ PHE 77 -17.207 -6.168 4.434 663 H LEU 78 H LEU 78 -10.247 -2.286 4.356 664 HA LEU 78 HA LEU 78 -7.488 -3.189 3.675 665 HB2 LEU 78 1HB LEU 78 -8.662 -0.394 4.003 666 HB3 LEU 78 2HB LEU 78 -6.931 -0.720 3.977 667 HG LEU 78 HG LEU 78 -8.787 -1.446 1.687 668 HD11 LEU 78 1HD1 LEU 78 -8.805 0.984 2.009 669 HD12 LEU 78 2HD1 LEU 78 -7.796 0.597 0.589 670 HD13 LEU 78 3HD1 LEU 78 -7.044 1.011 2.131 671 HD21 LEU 78 1HD2 LEU 78 -6.727 -1.616 0.363 672 HD22 LEU 78 2HD2 LEU 78 -6.642 -2.704 1.756 673 HD23 LEU 78 3HD2 LEU 78 -5.751 -1.174 1.777 674 H PHE 79 H PHE 79 -6.051 -3.215 5.305 675 HA PHE 79 HA PHE 79 -6.778 -2.171 7.971 676 HB2 PHE 79 2HB PHE 79 -5.993 -5.070 7.446 677 HB3 PHE 79 3HB PHE 79 -6.113 -4.314 9.030 678 HD1 PHE 79 1HD PHE 79 -7.928 -6.131 6.498 679 HD2 PHE 79 2HD PHE 79 -8.419 -3.297 9.717 680 HE1 PHE 79 1HE PHE 79 -10.327 -6.721 6.652 681 HE2 PHE 79 2HE PHE 79 -10.831 -3.875 9.848 682 HZ PHE 79 HZ PHE 79 -11.791 -5.590 8.316 683 H VAL 80 H VAL 80 -5.059 -1.027 8.718 684 HA VAL 80 HA VAL 80 -2.353 -1.816 7.824 685 HB VAL 80 HB VAL 80 -3.372 0.111 6.542 686 HG11 VAL 80 1HG1 VAL 80 -4.568 1.128 8.536 687 HG12 VAL 80 2HG1 VAL 80 -2.991 1.758 9.041 688 HG13 VAL 80 3HG1 VAL 80 -3.697 2.249 7.497 689 HG21 VAL 80 1HG2 VAL 80 -0.829 0.351 8.133 690 HG22 VAL 80 2HG2 VAL 80 -1.027 -0.168 6.468 691 HG23 VAL 80 3HG2 VAL 80 -1.247 1.536 6.897 692 H ASP 81 H ASP 81 -0.890 -1.919 9.630 693 HA ASP 81 HA ASP 81 -0.367 -2.088 11.861 694 HB2 ASP 81 1HB ASP 81 0.105 0.255 11.161 695 HB3 ASP 81 2HB ASP 81 -1.471 0.738 11.751 696 H LYS 82 H LYS 82 -3.142 -3.060 11.332 697 HA LYS 82 HA LYS 82 -4.977 -3.783 12.488 698 HB2 LYS 82 1HB LYS 82 -2.883 -3.579 14.550 699 HB3 LYS 82 2HB LYS 82 -4.483 -3.412 15.234 700 HG2 LYS 82 1HG LYS 82 -5.167 -5.540 14.530 701 HG3 LYS 82 2HG LYS 82 -3.901 -5.656 13.299 702 HD2 LYS 82 1HD LYS 82 -2.160 -5.948 14.954 703 HD3 LYS 82 2HD LYS 82 -3.264 -5.540 16.263 704 HE2 LYS 82 1HE LYS 82 -3.009 -7.912 16.317 705 HE3 LYS 82 2HE LYS 82 -4.639 -7.566 15.721 706 HZ1 LYS 82 1HZ LYS 82 -2.294 -8.405 14.135 707 HZ2 LYS 82 2HZ LYS 82 -3.720 -7.914 13.447 708 HZ3 LYS 82 3HZ LYS 82 -3.692 -9.242 14.381 709 H THR 83 H THR 83 -4.811 -0.989 11.529 710 HA THR 83 HA THR 83 -7.056 0.142 13.029 711 HB THR 83 HB THR 83 -6.179 2.364 12.869 712 HG1 THR 83 1HG THR 83 -4.816 2.299 11.023 713 HG21 THR 83 1HG2 THR 83 -4.309 2.214 14.405 714 HG22 THR 83 2HG2 THR 83 -3.942 0.592 13.858 715 HG23 THR 83 3HG2 THR 83 -5.433 0.887 14.795 716 H VAL 84 H VAL 84 -8.253 1.772 11.754 717 HA VAL 84 HA VAL 84 -8.666 0.760 9.017 718 HB VAL 84 HB VAL 84 -10.510 2.229 10.928 719 HG11 VAL 84 1HG1 VAL 84 -11.067 1.125 8.137 720 HG12 VAL 84 2HG1 VAL 84 -12.268 1.840 9.238 721 HG13 VAL 84 3HG1 VAL 84 -11.003 2.851 8.571 722 HG21 VAL 84 1HG2 VAL 84 -10.142 -0.136 11.543 723 HG22 VAL 84 2HG2 VAL 84 -11.775 0.109 10.932 724 HG23 VAL 84 3HG2 VAL 84 -10.542 -0.643 9.894 725 HA PRO 85 HA PRO 85 -6.874 4.865 8.127 726 HB2 PRO 85 2HB PRO 85 -6.659 4.574 5.392 727 HB3 PRO 85 3HB PRO 85 -5.466 3.976 6.587 728 HG2 PRO 85 2HG PRO 85 -7.523 2.400 5.082 729 HG3 PRO 85 3HG PRO 85 -5.879 1.894 5.644 730 HD2 PRO 85 2HD PRO 85 -8.260 1.236 6.920 731 HD3 PRO 85 3HD PRO 85 -6.654 1.311 7.707 732 H GLN 86 H GLN 86 -8.176 6.652 8.032 733 HA GLN 86 HA GLN 86 -10.954 6.412 7.451 734 HB2 GLN 86 1HB GLN 86 -9.928 7.944 9.173 735 HB3 GLN 86 2HB GLN 86 -9.174 8.854 7.864 736 HG2 GLN 86 1HG GLN 86 -11.048 10.121 8.090 737 HG3 GLN 86 2HG GLN 86 -11.650 9.055 6.931 738 HE21 GLN 86 1HE2 GLN 86 -14.265 9.418 9.465 739 HE22 GLN 86 2HE2 GLN 86 -13.374 10.363 8.263 740 H SER 87 H SER 87 -12.000 6.902 5.623 741 HA SER 87 HA SER 87 -10.632 7.091 3.163 742 HB2 SER 87 1HB SER 87 -12.680 7.157 2.043 743 HB3 SER 87 2HB SER 87 -12.815 6.080 3.415 744 HG SER 87 HG SER 87 -13.752 8.221 4.426 745 H SER 88 H SER 88 -12.142 9.732 5.025 746 HA SER 88 HA SER 88 -11.683 11.657 2.936 747 HB2 SER 88 1HB SER 88 -13.356 11.558 5.044 748 HB3 SER 88 2HB SER 88 -12.079 12.537 5.779 749 HG SER 88 HG SER 88 -12.684 14.145 4.556 750 H LEU 89 H LEU 89 -9.519 10.382 5.473 751 HA LEU 89 HA LEU 89 -7.967 12.768 5.667 752 HB2 LEU 89 1HB LEU 89 -7.905 10.619 7.199 753 HB3 LEU 89 2HB LEU 89 -6.789 9.992 5.999 754 HG LEU 89 HG LEU 89 -5.266 11.929 6.382 755 HD11 LEU 89 1HD1 LEU 89 -7.264 12.741 8.555 756 HD12 LEU 89 2HD1 LEU 89 -6.801 13.699 7.140 757 HD13 LEU 89 3HD1 LEU 89 -5.625 13.392 8.395 758 HD21 LEU 89 1HD2 LEU 89 -4.465 11.309 8.605 759 HD22 LEU 89 2HD2 LEU 89 -4.973 9.873 7.726 760 HD23 LEU 89 3HD2 LEU 89 -6.025 10.534 8.981 761 H THR 90 H THR 90 -6.084 13.456 4.636 762 HA THR 90 HA THR 90 -5.791 12.664 1.848 763 HB THR 90 HB THR 90 -3.889 14.417 2.015 764 HG1 THR 90 1HG THR 90 -3.651 15.477 3.784 765 HG21 THR 90 1HG2 THR 90 -6.790 15.181 2.525 766 HG22 THR 90 2HG2 THR 90 -6.010 14.884 0.959 767 HG23 THR 90 3HG2 THR 90 -5.524 16.281 1.926 768 H MET 91 H MET 91 -3.842 11.904 0.855 769 HA MET 91 HA MET 91 -2.576 9.837 2.279 770 HB2 MET 91 1HB MET 91 -1.995 11.284 -0.316 771 HB3 MET 91 2HB MET 91 -0.740 10.202 0.327 772 HG2 MET 91 1HG MET 91 -3.603 9.427 -0.359 773 HG3 MET 91 2HG MET 91 -2.165 9.103 -1.322 774 HE1 MET 91 1HE MET 91 -3.924 6.494 1.833 775 HE2 MET 91 2HE MET 91 -4.182 8.253 1.887 776 HE3 MET 91 3HE MET 91 -4.620 7.335 0.428 777 H GLY 92 H GLY 92 -1.548 13.242 1.712 778 HA2 GLY 92 1HA GLY 92 1.044 13.025 2.819 779 HA3 GLY 92 2HA GLY 92 0.038 14.483 2.869 780 H GLN 93 H GLN 93 -2.058 13.647 4.580 781 HA GLN 93 HA GLN 93 -0.803 13.947 7.154 782 HB2 GLN 93 1HB GLN 93 -3.617 13.623 6.099 783 HB3 GLN 93 2HB GLN 93 -3.344 13.427 7.813 784 HG2 GLN 93 1HG GLN 93 -2.218 15.885 6.493 785 HG3 GLN 93 2HG GLN 93 -3.959 15.775 6.741 786 HE21 GLN 93 1HE2 GLN 93 -1.620 15.973 10.161 787 HE22 GLN 93 2HE2 GLN 93 -0.971 15.057 8.853 788 H LEU 94 H LEU 94 -2.601 11.264 5.600 789 HA LEU 94 HA LEU 94 -2.431 9.431 7.754 790 HB2 LEU 94 1HB LEU 94 -3.955 9.035 5.945 791 HB3 LEU 94 2HB LEU 94 -2.694 9.101 4.738 792 HG LEU 94 HG LEU 94 -2.219 7.030 6.842 793 HD11 LEU 94 1HD1 LEU 94 -4.660 6.885 6.714 794 HD12 LEU 94 2HD1 LEU 94 -3.842 5.463 6.104 795 HD13 LEU 94 3HD1 LEU 94 -4.525 6.612 4.950 796 HD21 LEU 94 1HD2 LEU 94 -2.333 6.909 3.789 797 HD22 LEU 94 2HD2 LEU 94 -1.723 5.647 4.877 798 HD23 LEU 94 3HD2 LEU 94 -0.860 7.164 4.751 799 H TYR 95 H TYR 95 -0.276 9.938 4.987 800 HA TYR 95 HA TYR 95 1.604 7.890 5.429 801 HB2 TYR 95 2HB TYR 95 1.634 9.139 3.366 802 HB3 TYR 95 3HB TYR 95 1.902 10.668 4.214 803 HD1 TYR 95 1HD TYR 95 3.431 7.253 4.001 804 HD2 TYR 95 2HD TYR 95 4.111 11.480 4.430 805 HE1 TYR 95 1HE TYR 95 5.844 6.863 3.797 806 HE2 TYR 95 2HE TYR 95 6.539 11.112 4.316 807 HH TYR 95 HH TYR 95 7.910 7.808 4.109 808 H GLU 96 H GLU 96 1.691 11.385 6.484 809 HA GLU 96 HA GLU 96 4.108 11.031 7.908 810 HB2 GLU 96 1HB GLU 96 3.107 13.181 7.096 811 HB3 GLU 96 2HB GLU 96 1.955 13.107 8.437 812 HG2 GLU 96 1HG GLU 96 3.861 13.112 10.044 813 HG3 GLU 96 2HG GLU 96 5.006 13.102 8.696 814 H LYS 97 H LYS 97 0.683 10.878 9.147 815 HA LYS 97 HA LYS 97 1.668 10.354 11.812 816 HB2 LYS 97 1HB LYS 97 -0.508 10.223 12.549 817 HB3 LYS 97 2HB LYS 97 -0.569 11.381 11.233 818 HG2 LYS 97 1HG LYS 97 -2.418 10.154 10.628 819 HG3 LYS 97 2HG LYS 97 -1.199 9.207 9.837 820 HD2 LYS 97 1HD LYS 97 -2.592 7.665 10.912 821 HD3 LYS 97 2HD LYS 97 -1.154 7.695 11.929 822 HE2 LYS 97 1HE LYS 97 -2.397 9.149 13.533 823 HE3 LYS 97 2HE LYS 97 -3.792 9.101 12.447 824 HZ1 LYS 97 1HZ LYS 97 -4.195 7.425 14.011 825 HZ2 LYS 97 2HZ LYS 97 -2.644 6.881 13.998 826 HZ3 LYS 97 3HZ LYS 97 -3.617 6.578 12.740 827 H GLU 98 H GLU 98 0.813 8.148 9.092 828 HA GLU 98 HA GLU 98 1.065 5.877 10.984 829 HB2 GLU 98 1HB GLU 98 0.398 5.890 8.020 830 HB3 GLU 98 2HB GLU 98 0.361 4.516 9.124 831 HG2 GLU 98 1HG GLU 98 -1.373 5.739 10.497 832 HG3 GLU 98 2HG GLU 98 -1.470 6.903 9.181 833 H LYS 99 H LYS 99 3.225 7.658 9.132 834 HA LYS 99 HA LYS 99 4.851 6.107 7.751 835 HB2 LYS 99 1HB LYS 99 5.072 8.621 8.555 836 HB3 LYS 99 2HB LYS 99 6.171 7.967 9.754 837 HG2 LYS 99 1HG LYS 99 7.623 7.089 8.030 838 HG3 LYS 99 2HG LYS 99 6.411 7.364 6.773 839 HD2 LYS 99 1HD LYS 99 8.107 9.020 6.536 840 HD3 LYS 99 2HD LYS 99 6.625 9.829 7.087 841 HE2 LYS 99 1HE LYS 99 7.531 9.974 9.372 842 HE3 LYS 99 2HE LYS 99 8.882 8.945 8.917 843 HZ1 LYS 99 1HZ LYS 99 9.393 10.840 7.252 844 HZ2 LYS 99 2HZ LYS 99 9.847 10.884 8.816 845 HZ3 LYS 99 3HZ LYS 99 8.545 11.758 8.353 846 H ASP 100 H ASP 100 6.090 4.332 7.900 847 HA ASP 100 HA ASP 100 6.317 2.803 10.304 848 HB2 ASP 100 1HB ASP 100 6.325 1.786 8.069 849 HB3 ASP 100 2HB ASP 100 7.762 2.735 7.620 850 H GLU 101 H GLU 101 8.464 2.111 11.256 851 HA GLU 101 HA GLU 101 9.949 4.235 12.321 852 HB2 GLU 101 1HB GLU 101 11.483 2.523 13.113 853 HB3 GLU 101 2HB GLU 101 9.831 1.930 13.247 854 HG2 GLU 101 1HG GLU 101 10.174 0.702 11.038 855 HG3 GLU 101 2HG GLU 101 11.865 1.201 11.082 856 H ASP 102 H ASP 102 10.375 2.495 9.273 857 HA ASP 102 HA ASP 102 12.994 3.716 8.749 858 HB2 ASP 102 1HB ASP 102 12.121 1.262 8.333 859 HB3 ASP 102 2HB ASP 102 11.422 1.951 6.871 860 H GLY 103 H GLY 103 9.581 4.025 7.618 861 HA2 GLY 103 1HA GLY 103 9.309 6.481 6.845 862 HA3 GLY 103 2HA GLY 103 10.504 6.097 5.640 863 H PHE 104 H PHE 104 8.983 3.297 5.430 864 HA PHE 104 HA PHE 104 7.136 4.289 3.327 865 HB2 PHE 104 2HB PHE 104 7.355 2.204 2.267 866 HB3 PHE 104 3HB PHE 104 8.969 2.605 2.799 867 HD1 PHE 104 1HD PHE 104 6.534 0.024 2.661 868 HD2 PHE 104 2HD PHE 104 9.621 1.602 5.261 869 HE1 PHE 104 1HE PHE 104 6.641 -2.125 3.895 870 HE2 PHE 104 2HE PHE 104 9.677 -0.524 6.473 871 HZ PHE 104 HZ PHE 104 8.157 -2.371 5.837 872 H LEU 105 H LEU 105 5.232 2.433 2.969 873 HA LEU 105 HA LEU 105 3.966 2.013 5.611 874 HB2 LEU 105 1HB LEU 105 3.106 4.072 4.014 875 HB3 LEU 105 2HB LEU 105 2.094 2.752 3.424 876 HG LEU 105 HG LEU 105 1.497 2.350 5.892 877 HD11 LEU 105 1HD1 LEU 105 2.772 5.118 6.228 878 HD12 LEU 105 2HD1 LEU 105 3.450 3.616 6.888 879 HD13 LEU 105 3HD1 LEU 105 1.892 4.173 7.441 880 HD21 LEU 105 1HD2 LEU 105 -0.091 4.195 5.984 881 HD22 LEU 105 2HD2 LEU 105 -0.013 3.535 4.343 882 HD23 LEU 105 3HD2 LEU 105 0.798 5.069 4.736 883 H TYR 106 H TYR 106 2.886 0.057 5.878 884 HA TYR 106 HA TYR 106 2.713 -1.708 3.487 885 HB2 TYR 106 2HB TYR 106 3.198 -3.614 5.005 886 HB3 TYR 106 3HB TYR 106 4.559 -2.581 4.673 887 HD1 TYR 106 1HD TYR 106 5.422 -0.947 6.404 888 HD2 TYR 106 2HD TYR 106 2.428 -3.932 7.267 889 HE1 TYR 106 1HE TYR 106 5.920 -0.766 8.798 890 HE2 TYR 106 2HE TYR 106 2.955 -3.775 9.677 891 HH TYR 106 HH TYR 106 5.121 -1.356 11.004 892 H VAL 107 H VAL 107 0.575 -1.848 3.008 893 HA VAL 107 HA VAL 107 -1.345 -2.172 5.261 894 HB VAL 107 HB VAL 107 -1.685 -0.083 4.214 895 HG11 VAL 107 1HG1 VAL 107 -2.243 0.125 1.769 896 HG12 VAL 107 2HG1 VAL 107 -0.556 -0.253 2.121 897 HG13 VAL 107 3HG1 VAL 107 -1.644 -1.540 1.572 898 HG21 VAL 107 1HG2 VAL 107 -3.735 -1.391 4.764 899 HG22 VAL 107 2HG2 VAL 107 -3.969 -0.214 3.465 900 HG23 VAL 107 3HG2 VAL 107 -3.810 -1.936 3.075 901 H ALA 108 H ALA 108 -2.956 -3.719 5.155 902 HA ALA 108 HA ALA 108 -2.442 -5.888 3.211 903 HB1 ALA 108 1HB ALA 108 -3.389 -7.365 4.949 904 HB2 ALA 108 2HB ALA 108 -1.934 -6.519 5.521 905 HB3 ALA 108 3HB ALA 108 -3.549 -5.977 6.041 906 H TYR 109 H TYR 109 -4.258 -6.787 2.182 907 HA TYR 109 HA TYR 109 -6.859 -5.491 2.755 908 HB2 TYR 109 2HB TYR 109 -7.363 -5.064 0.534 909 HB3 TYR 109 3HB TYR 109 -5.740 -4.449 0.744 910 HD1 TYR 109 1HD TYR 109 -7.796 -7.091 -0.888 911 HD2 TYR 109 2HD TYR 109 -3.855 -5.373 -0.481 912 HE1 TYR 109 1HE TYR 109 -7.069 -8.267 -2.936 913 HE2 TYR 109 2HE TYR 109 -3.161 -6.492 -2.567 914 HH TYR 109 HH TYR 109 -5.087 -8.943 -4.240 915 H SER 110 H SER 110 -8.739 -6.739 2.050 916 HA SER 110 HA SER 110 -8.219 -9.552 1.400 917 HB2 SER 110 1HB SER 110 -9.565 -10.384 3.296 918 HB3 SER 110 2HB SER 110 -8.027 -9.678 3.788 919 HG SER 110 HG SER 110 -9.767 -9.115 5.105 920 H GLY 111 H GLY 111 -10.295 -10.684 0.974 921 HA2 GLY 111 1HA GLY 111 -12.294 -8.765 -0.063 922 HA3 GLY 111 2HA GLY 111 -11.826 -10.204 -0.965 923 H GLU 112 H GLU 112 -12.187 -10.378 2.588 924 HA GLU 112 HA GLU 112 -14.880 -11.535 2.299 925 HB2 GLU 112 1HB GLU 112 -12.691 -12.636 4.105 926 HB3 GLU 112 2HB GLU 112 -14.313 -13.258 3.860 927 HG2 GLU 112 1HG GLU 112 -11.948 -13.452 2.002 928 HG3 GLU 112 2HG GLU 112 -12.781 -14.728 2.883 929 H ASN 113 H ASN 113 -16.116 -10.976 3.992 930 HA ASN 113 HA ASN 113 -15.228 -8.846 5.830 931 HB2 ASN 113 1HB ASN 113 -17.523 -8.714 6.547 932 HB3 ASN 113 2HB ASN 113 -17.537 -8.865 4.790 933 HD21 ASN 113 1HD2 ASN 113 -19.160 -11.855 7.080 934 HD22 ASN 113 2HD2 ASN 113 -18.610 -10.350 7.793 935 H THR 114 H THR 114 -15.444 -12.360 5.896 936 HA THR 114 HA THR 114 -14.764 -12.316 8.755 937 HB THR 114 HB THR 114 -16.109 -14.640 8.639 938 HG1 THR 114 1HG THR 114 -16.954 -13.882 6.418 939 HG21 THR 114 1HG2 THR 114 -17.331 -11.912 9.208 940 HG22 THR 114 2HG2 THR 114 -16.423 -12.933 10.343 941 HG23 THR 114 3HG2 THR 114 -18.003 -13.462 9.740 942 H PHE 115 H PHE 115 -13.250 -13.685 9.312 943 HA PHE 115 HA PHE 115 -11.921 -15.338 7.231 944 HB2 PHE 115 2HB PHE 115 -10.750 -13.199 7.756 945 HB3 PHE 115 3HB PHE 115 -10.657 -13.660 9.441 946 HD1 PHE 115 1HD PHE 115 -9.574 -14.613 6.006 947 HD2 PHE 115 2HD PHE 115 -8.869 -15.051 10.231 948 HE1 PHE 115 1HE PHE 115 -7.372 -15.677 5.526 949 HE2 PHE 115 2HE PHE 115 -6.709 -16.107 9.765 950 HZ PHE 115 HZ PHE 115 -5.924 -16.403 7.376 951 H GLY 116 H GLY 116 -13.554 -17.015 8.115 952 HA2 GLY 116 1HA GLY 116 -12.304 -18.537 10.228 953 HA3 GLY 116 2HA GLY 116 -13.808 -17.782 10.777 954 H1 GLY 330 H GLY 330 26.164 -10.078 9.651 955 HA2 GLY 330 1HA GLY 330 26.866 -12.373 9.188 956 HA3 GLY 330 2HA GLY 330 25.302 -12.612 8.375 957 H ALA 331 H ALA 331 25.787 -12.855 6.269 958 HA ALA 331 HA ALA 331 27.100 -10.651 4.823 959 HB1 ALA 331 1HB ALA 331 28.342 -12.374 3.495 960 HB2 ALA 331 2HB ALA 331 28.861 -12.354 5.193 961 HB3 ALA 331 3HB ALA 331 27.774 -13.630 4.605 962 H MET 332 H MET 332 24.745 -10.180 4.463 963 HA MET 332 HA MET 332 23.467 -12.097 2.551 964 HB2 MET 332 1HB MET 332 22.125 -10.268 4.565 965 HB3 MET 332 2HB MET 332 21.303 -11.203 3.305 966 HG2 MET 332 1HG MET 332 22.290 -13.288 4.298 967 HG3 MET 332 2HG MET 332 22.891 -12.313 5.641 968 HE1 MET 332 1HE MET 332 19.585 -11.124 7.393 969 HE2 MET 332 2HE MET 332 21.352 -10.955 7.272 970 HE3 MET 332 3HE MET 332 20.296 -10.223 6.041 971 H GLU 333 H GLU 333 25.019 -10.892 1.157 972 HA GLU 333 HA GLU 333 23.856 -8.310 0.194 973 HB2 GLU 333 1HB GLU 333 26.135 -8.310 1.318 974 HB3 GLU 333 2HB GLU 333 26.719 -9.256 -0.039 975 HG2 GLU 333 1HG GLU 333 26.026 -7.330 -1.543 976 HG3 GLU 333 2HG GLU 333 25.592 -6.433 -0.085 977 H ILE 334 H ILE 334 22.687 -10.757 -0.470 978 HA ILE 334 HA ILE 334 23.819 -11.922 -2.840 979 HB ILE 334 HB ILE 334 21.698 -13.070 -3.093 980 HG12 ILE 334 1HG1 ILE 334 20.613 -11.868 -0.532 981 HG13 ILE 334 2HG1 ILE 334 20.274 -11.105 -2.086 982 HG21 ILE 334 1HG2 ILE 334 21.876 -14.451 -1.087 983 HG22 ILE 334 2HG2 ILE 334 23.484 -13.927 -1.590 984 HG23 ILE 334 3HG2 ILE 334 22.692 -13.149 -0.204 985 HD11 ILE 334 1HD1 ILE 334 18.485 -12.670 -1.449 986 HD12 ILE 334 2HD1 ILE 334 19.269 -13.136 -2.967 987 HD13 ILE 334 3HD1 ILE 334 19.635 -14.014 -1.471 988 H ILE 335 H ILE 335 22.969 -11.903 -4.909 989 HA ILE 335 HA ILE 335 22.057 -9.259 -5.860 990 HB ILE 335 HB ILE 335 23.523 -11.588 -7.184 991 HG12 ILE 335 1HG1 ILE 335 24.452 -8.760 -6.487 992 HG13 ILE 335 2HG1 ILE 335 24.844 -10.202 -5.551 993 HG21 ILE 335 1HG2 ILE 335 23.751 -10.078 -9.161 994 HG22 ILE 335 2HG2 ILE 335 22.079 -10.503 -8.848 995 HG23 ILE 335 3HG2 ILE 335 22.679 -8.910 -8.347 996 HD11 ILE 335 1HD1 ILE 335 26.004 -11.172 -7.531 997 HD12 ILE 335 2HD1 ILE 335 25.786 -9.607 -8.369 998 HD13 ILE 335 3HD1 ILE 335 26.740 -9.693 -6.884 999 H HIS 336 H HIS 336 21.485 -12.796 -6.537 1000 HA HIS 336 HA HIS 336 19.058 -12.160 -8.018 1001 HB2 HIS 336 1HB HIS 336 20.359 -14.771 -7.208 1002 HB3 HIS 336 2HB HIS 336 18.787 -14.687 -7.977 1003 HD1 HIS 336 HD1 HIS 336 18.649 -14.297 -10.523 1004 HD2 HIS 336 HD2 HIS 336 22.493 -13.822 -8.845 1005 HE1 HIS 336 HE1 HIS 336 20.266 -14.105 -12.469 1006 H GLU 337 H GLU 337 17.861 -11.000 -6.483 1007 HA GLU 337 HA GLU 337 17.046 -12.190 -3.965 1008 HB2 GLU 337 1HB GLU 337 15.532 -10.312 -3.766 1009 HB3 GLU 337 2HB GLU 337 17.086 -9.719 -4.372 1010 HG2 GLU 337 1HG GLU 337 16.116 -9.849 -6.706 1011 HG3 GLU 337 2HG GLU 337 14.561 -10.238 -5.994 1012 H ASP 338 H ASP 338 14.926 -13.016 -3.526 1013 HA ASP 338 HA ASP 338 13.888 -14.779 -5.612 1014 HB2 ASP 338 1HB ASP 338 14.170 -15.592 -3.367 1015 HB3 ASP 338 2HB ASP 338 13.213 -14.270 -2.693 1016 H ASN 339 H ASN 339 12.417 -12.247 -3.556 1017 HA ASN 339 HA ASN 339 9.944 -12.294 -5.052 1018 HB2 ASN 339 1HB ASN 339 10.870 -10.416 -2.854 1019 HB3 ASN 339 2HB ASN 339 9.215 -10.627 -3.467 1020 HD21 ASN 339 1HD2 ASN 339 10.656 -13.349 -0.812 1021 HD22 ASN 339 2HD2 ASN 339 11.725 -12.070 -1.321 1022 H GLU 340 H GLU 340 8.967 -10.323 -6.079 1023 HA GLU 340 HA GLU 340 10.639 -9.233 -8.071 1024 HB2 GLU 340 1HB GLU 340 7.973 -9.864 -7.699 1025 HB3 GLU 340 2HB GLU 340 7.892 -8.123 -7.828 1026 HG2 GLU 340 1HG GLU 340 8.912 -8.143 -10.004 1027 HG3 GLU 340 2HG GLU 340 9.418 -9.835 -9.805 1028 H TRP 341 H TRP 341 8.646 -7.219 -5.825 1029 HA TRP 341 HA TRP 341 8.542 -5.031 -5.403 1030 HB2 TRP 341 2HB TRP 341 11.542 -5.359 -5.118 1031 HB3 TRP 341 3HB TRP 341 10.659 -3.925 -4.624 1032 HD1 TRP 341 HD1 TRP 341 12.286 -6.400 -2.979 1033 HE1 TRP 341 1HE TRP 341 11.158 -7.591 -1.114 1034 HE3 TRP 341 3HE TRP 341 7.586 -4.412 -3.572 1035 HZ2 TRP 341 2HZ TRP 341 8.343 -7.875 -0.087 1036 HZ3 TRP 341 3HZ TRP 341 5.718 -5.208 -2.201 1037 HH2 TRP 341 HH2 TRP 341 6.073 -6.962 -0.481 1038 H GLY 342 H GLY 342 7.777 -4.897 -7.674 1039 HA2 GLY 342 1HA GLY 342 9.582 -3.189 -9.331 1040 HA3 GLY 342 2HA GLY 342 8.085 -3.950 -9.843 1041 H ILE 343 H ILE 343 9.313 -0.981 -9.261 1042 HA ILE 343 HA ILE 343 7.291 0.223 -7.584 1043 HB ILE 343 HB ILE 343 9.087 1.587 -9.629 1044 HG12 ILE 343 1HG1 ILE 343 9.547 1.214 -6.637 1045 HG13 ILE 343 2HG1 ILE 343 10.405 0.320 -7.912 1046 HG21 ILE 343 1HG2 ILE 343 7.167 2.987 -8.898 1047 HG22 ILE 343 2HG2 ILE 343 7.654 2.708 -7.207 1048 HG23 ILE 343 3HG2 ILE 343 8.696 3.622 -8.328 1049 HD11 ILE 343 1HD1 ILE 343 11.873 2.001 -7.300 1050 HD12 ILE 343 2HD1 ILE 343 11.167 2.572 -8.823 1051 HD13 ILE 343 3HD1 ILE 343 10.638 3.266 -7.262 1052 H GLU 344 H GLU 344 5.407 1.174 -8.137 1053 HA GLU 344 HA GLU 344 4.580 1.430 -10.963 1054 HB2 GLU 344 1HB GLU 344 3.402 -0.333 -8.792 1055 HB3 GLU 344 2HB GLU 344 2.325 0.431 -9.944 1056 HG2 GLU 344 1HG GLU 344 4.683 -1.350 -10.727 1057 HG3 GLU 344 2HG GLU 344 3.030 -1.899 -10.567 1058 H LEU 345 H LEU 345 4.079 3.587 -11.116 1059 HA LEU 345 HA LEU 345 3.511 5.223 -8.759 1060 HB2 LEU 345 1HB LEU 345 4.949 5.862 -10.741 1061 HB3 LEU 345 2HB LEU 345 3.503 5.839 -11.751 1062 HG LEU 345 HG LEU 345 3.873 7.627 -9.322 1063 HD11 LEU 345 1HD1 LEU 345 5.585 8.125 -10.979 1064 HD12 LEU 345 2HD1 LEU 345 4.379 9.408 -11.020 1065 HD13 LEU 345 3HD1 LEU 345 4.380 8.173 -12.280 1066 HD21 LEU 345 1HD2 LEU 345 1.775 7.553 -11.535 1067 HD22 LEU 345 2HD2 LEU 345 2.080 9.016 -10.597 1068 HD23 LEU 345 3HD2 LEU 345 1.524 7.575 -9.780 1069 H VAL 346 H VAL 346 1.390 5.403 -7.994 1070 HA VAL 346 HA VAL 346 -0.801 4.790 -9.899 1071 HB VAL 346 HB VAL 346 -0.807 4.027 -6.967 1072 HG11 VAL 346 1HG1 VAL 346 -2.660 2.548 -7.720 1073 HG12 VAL 346 2HG1 VAL 346 -2.999 4.262 -8.027 1074 HG13 VAL 346 3HG1 VAL 346 -2.502 3.199 -9.359 1075 HG21 VAL 346 1HG2 VAL 346 -0.551 1.642 -7.830 1076 HG22 VAL 346 2HG2 VAL 346 -0.006 2.346 -9.361 1077 HG23 VAL 346 3HG2 VAL 346 0.911 2.620 -7.865 1078 H SER 347 H SER 347 -1.870 6.674 -10.312 1079 HA SER 347 HA SER 347 -2.832 8.256 -8.037 1080 HB2 SER 347 1HB SER 347 -2.258 10.365 -9.373 1081 HB3 SER 347 2HB SER 347 -0.970 9.583 -8.457 1082 HG SER 347 HG SER 347 -1.487 9.462 -11.235 1083 H GLU 348 H GLU 348 -4.827 8.651 -8.271 1084 HA GLU 348 HA GLU 348 -6.925 8.832 -8.907 1085 HB2 GLU 348 1HB GLU 348 -5.888 9.795 -11.566 1086 HB3 GLU 348 2HB GLU 348 -7.496 10.059 -10.879 1087 HG2 GLU 348 1HG GLU 348 -6.370 11.200 -8.903 1088 HG3 GLU 348 2HG GLU 348 -4.849 11.133 -9.792 Start of MODEL 18 1 H1 MET 1 H MET 1 0.049 -12.914 5.831 2 HA MET 1 HA MET 1 0.872 -11.311 7.338 3 HB2 MET 1 1HB MET 1 -0.276 -12.521 9.281 4 HB3 MET 1 2HB MET 1 1.194 -13.498 9.436 5 HG2 MET 1 1HG MET 1 2.516 -11.479 9.900 6 HG3 MET 1 2HG MET 1 1.153 -10.451 9.466 7 HE1 MET 1 1HE MET 1 1.962 -13.464 11.995 8 HE2 MET 1 2HE MET 1 3.095 -12.111 12.248 9 HE3 MET 1 3HE MET 1 1.895 -12.506 13.493 10 H GLY 2 H GLY 2 3.271 -10.991 7.968 11 HA2 GLY 2 1HA GLY 2 5.481 -11.850 8.057 12 HA3 GLY 2 2HA GLY 2 5.054 -13.132 6.905 13 H TRP 3 H TRP 3 6.427 -10.077 7.175 14 HA TRP 3 HA TRP 3 5.467 -8.947 4.654 15 HB2 TRP 3 2HB TRP 3 7.516 -8.133 6.758 16 HB3 TRP 3 3HB TRP 3 7.253 -7.240 5.273 17 HD1 TRP 3 HD1 TRP 3 6.545 -6.656 8.607 18 HE1 TRP 3 1HE TRP 3 4.372 -5.405 9.035 19 HE3 TRP 3 3HE TRP 3 4.295 -7.382 4.059 20 HZ2 TRP 3 2HZ TRP 3 1.848 -4.959 7.639 21 HZ3 TRP 3 3HZ TRP 3 2.074 -6.626 3.630 22 HH2 TRP 3 HH2 TRP 3 0.766 -5.367 5.412 23 H MET 4 H MET 4 6.241 -9.769 2.777 24 HA MET 4 HA MET 4 8.575 -11.475 2.745 25 HB2 MET 4 1HB MET 4 6.951 -10.165 0.575 26 HB3 MET 4 2HB MET 4 8.553 -10.786 0.178 27 HG2 MET 4 1HG MET 4 6.442 -12.435 1.563 28 HG3 MET 4 2HG MET 4 6.702 -12.434 -0.176 29 HE1 MET 4 1HE MET 4 6.995 -14.965 -0.463 30 HE2 MET 4 2HE MET 4 7.919 -15.964 0.670 31 HE3 MET 4 3HE MET 4 6.497 -15.073 1.239 32 H PHE 5 H PHE 5 8.272 -7.943 2.328 33 HA PHE 5 HA PHE 5 10.921 -7.573 1.345 34 HB2 PHE 5 2HB PHE 5 10.756 -5.315 2.263 35 HB3 PHE 5 3HB PHE 5 9.451 -5.763 1.175 36 HD1 PHE 5 1HD PHE 5 10.319 -4.979 4.719 37 HD2 PHE 5 2HD PHE 5 7.140 -5.766 1.895 38 HE1 PHE 5 1HE PHE 5 8.656 -4.294 6.397 39 HE2 PHE 5 2HE PHE 5 5.479 -4.986 3.580 40 HZ PHE 5 HZ PHE 5 6.236 -4.265 5.830 41 H LYS 6 H LYS 6 9.678 -7.628 4.723 42 HA LYS 6 HA LYS 6 12.227 -7.203 5.926 43 HB2 LYS 6 1HB LYS 6 10.111 -6.846 7.129 44 HB3 LYS 6 2HB LYS 6 9.700 -8.560 6.941 45 HG2 LYS 6 1HG LYS 6 11.602 -9.225 8.312 46 HG3 LYS 6 2HG LYS 6 12.106 -7.531 8.484 47 HD2 LYS 6 1HD LYS 6 10.093 -7.053 9.781 48 HD3 LYS 6 2HD LYS 6 9.450 -8.695 9.445 49 HE2 LYS 6 1HE LYS 6 11.567 -9.639 10.458 50 HE3 LYS 6 2HE LYS 6 12.047 -7.992 10.875 51 HZ1 LYS 6 1HZ LYS 6 11.090 -9.013 12.719 52 HZ2 LYS 6 2HZ LYS 6 9.730 -9.486 11.884 53 HZ3 LYS 6 3HZ LYS 6 10.000 -7.878 12.219 54 H GLU 7 H GLU 7 10.657 -10.151 4.661 55 HA GLU 7 HA GLU 7 12.363 -12.018 6.007 56 HB2 GLU 7 1HB GLU 7 10.879 -12.179 3.352 57 HB3 GLU 7 2HB GLU 7 11.742 -13.527 4.047 58 HG2 GLU 7 1HG GLU 7 9.595 -12.091 5.647 59 HG3 GLU 7 2HG GLU 7 9.184 -13.310 4.446 60 H ASP 8 H ASP 8 12.586 -10.359 2.832 61 HA ASP 8 HA ASP 8 15.245 -11.394 2.247 62 HB2 ASP 8 1HB ASP 8 13.327 -9.404 1.013 63 HB3 ASP 8 2HB ASP 8 15.027 -9.265 0.594 64 H HIS 9 H HIS 9 14.304 -7.944 2.520 65 HA HIS 9 HA HIS 9 16.272 -7.230 4.475 66 HB2 HIS 9 1HB HIS 9 17.555 -5.701 2.988 67 HB3 HIS 9 2HB HIS 9 17.834 -7.397 2.643 68 HD1 HIS 9 HD1 HIS 9 14.709 -6.705 0.909 69 HD2 HIS 9 HD2 HIS 9 18.761 -5.738 0.338 70 HE1 HIS 9 HE1 HIS 9 14.997 -6.341 -1.579 71 H SER 10 H SER 10 15.731 -5.187 5.345 72 HA SER 10 HA SER 10 13.570 -3.685 3.936 73 HB2 SER 10 1HB SER 10 12.787 -4.981 5.937 74 HB3 SER 10 2HB SER 10 13.828 -3.944 6.934 75 HG SER 10 HG SER 10 12.600 -2.219 6.478 76 H LEU 11 H LEU 11 15.986 -3.272 6.566 77 HA LEU 11 HA LEU 11 16.235 -0.581 6.590 78 HB2 LEU 11 1HB LEU 11 18.642 -2.440 6.735 79 HB3 LEU 11 2HB LEU 11 18.489 -0.837 7.432 80 HG LEU 11 HG LEU 11 16.933 -3.311 8.309 81 HD11 LEU 11 1HD1 LEU 11 18.325 -3.005 10.380 82 HD12 LEU 11 2HD1 LEU 11 19.274 -1.769 9.520 83 HD13 LEU 11 3HD1 LEU 11 19.257 -3.450 8.950 84 HD21 LEU 11 1HD2 LEU 11 16.241 -1.826 10.227 85 HD22 LEU 11 2HD2 LEU 11 15.550 -1.358 8.677 86 HD23 LEU 11 3HD2 LEU 11 16.911 -0.442 9.310 87 H GLU 12 H GLU 12 18.338 -2.593 4.450 88 HA GLU 12 HA GLU 12 19.550 -0.256 3.221 89 HB2 GLU 12 1HB GLU 12 19.503 -3.217 2.543 90 HB3 GLU 12 2HB GLU 12 20.089 -2.038 1.358 91 HG2 GLU 12 1HG GLU 12 21.613 -1.080 3.058 92 HG3 GLU 12 2HG GLU 12 21.144 -2.346 4.195 93 H HIS 13 H HIS 13 17.017 -2.491 2.135 94 HA HIS 13 HA HIS 13 16.474 -1.368 -0.338 95 HB2 HIS 13 1HB HIS 13 15.603 -3.524 0.710 96 HB3 HIS 13 2HB HIS 13 14.374 -2.562 1.516 97 HD1 HIS 13 HD1 HIS 13 15.239 -4.111 -1.825 98 HD2 HIS 13 HD2 HIS 13 12.580 -1.233 -0.268 99 HE1 HIS 13 HE1 HIS 13 13.356 -3.949 -3.478 100 H ARG 14 H ARG 14 14.818 -0.573 2.746 101 HA ARG 14 HA ARG 14 13.189 1.511 1.748 102 HB2 ARG 14 1HB ARG 14 14.215 0.711 4.488 103 HB3 ARG 14 2HB ARG 14 13.364 2.225 4.299 104 HG2 ARG 14 1HG ARG 14 11.969 0.234 4.994 105 HG3 ARG 14 2HG ARG 14 11.339 1.233 3.687 106 HD2 ARG 14 1HD ARG 14 12.839 -1.182 2.838 107 HD3 ARG 14 2HD ARG 14 11.527 -1.516 3.955 108 HE ARG 14 HE ARG 14 10.440 0.202 1.995 109 HH11 ARG 14 1HH1 ARG 14 11.731 -3.024 2.429 110 HH12 ARG 14 2HH1 ARG 14 10.876 -3.714 1.067 111 HH21 ARG 14 1HH2 ARG 14 9.081 -0.715 0.446 112 HH22 ARG 14 2HH2 ARG 14 9.076 -2.439 0.140 113 H CYS 15 H CYS 15 16.548 1.746 3.182 114 HA CYS 15 HA CYS 15 16.588 4.591 3.094 115 HB2 CYS 15 2HB CYS 15 18.800 2.498 2.893 116 HB3 CYS 15 3HB CYS 15 19.141 4.232 2.781 117 HG CYS 15 HG CYS 15 19.714 3.518 5.176 118 H VAL 16 H VAL 16 17.694 2.232 0.617 119 HA VAL 16 HA VAL 16 18.471 4.253 -1.278 120 HB VAL 16 HB VAL 16 18.010 1.247 -1.401 121 HG11 VAL 16 1HG1 VAL 16 17.717 2.045 -3.676 122 HG12 VAL 16 2HG1 VAL 16 19.186 3.058 -3.546 123 HG13 VAL 16 3HG1 VAL 16 19.303 1.281 -3.528 124 HG21 VAL 16 1HG2 VAL 16 20.480 1.244 -1.434 125 HG22 VAL 16 2HG2 VAL 16 20.511 3.003 -1.349 126 HG23 VAL 16 3HG2 VAL 16 19.902 2.038 0.018 127 H GLU 17 H GLU 17 15.578 2.155 -1.029 128 HA GLU 17 HA GLU 17 14.317 2.997 -3.374 129 HB2 GLU 17 1HB GLU 17 13.782 1.011 -1.984 130 HB3 GLU 17 2HB GLU 17 13.047 2.052 -0.760 131 HG2 GLU 17 1HG GLU 17 11.988 2.531 -3.477 132 HG3 GLU 17 2HG GLU 17 11.953 0.841 -3.067 133 H SER 18 H SER 18 13.889 4.274 0.018 134 HA SER 18 HA SER 18 12.114 6.290 -0.835 135 HB2 SER 18 1HB SER 18 12.677 5.480 1.579 136 HB3 SER 18 2HB SER 18 13.948 6.706 1.531 137 HG SER 18 HG SER 18 11.912 7.472 2.335 138 H ALA 19 H ALA 19 15.763 6.324 -0.616 139 HA ALA 19 HA ALA 19 16.012 9.106 -1.155 140 HB1 ALA 19 1HB ALA 19 17.880 6.813 -1.912 141 HB2 ALA 19 2HB ALA 19 18.294 8.537 -1.924 142 HB3 ALA 19 3HB ALA 19 17.900 7.734 -0.391 143 H LYS 20 H LYS 20 15.956 6.320 -3.428 144 HA LYS 20 HA LYS 20 16.181 7.865 -5.787 145 HB2 LYS 20 1HB LYS 20 14.910 5.124 -5.348 146 HB3 LYS 20 2HB LYS 20 15.144 5.862 -6.937 147 HG2 LYS 20 1HG LYS 20 17.604 6.025 -6.465 148 HG3 LYS 20 2HG LYS 20 17.340 5.117 -4.965 149 HD2 LYS 20 1HD LYS 20 16.218 3.320 -6.486 150 HD3 LYS 20 2HD LYS 20 16.966 4.179 -7.833 151 HE2 LYS 20 1HE LYS 20 18.289 2.747 -5.513 152 HE3 LYS 20 2HE LYS 20 18.399 2.352 -7.222 153 HZ1 LYS 20 1HZ LYS 20 19.651 4.424 -7.525 154 HZ2 LYS 20 2HZ LYS 20 20.395 3.438 -6.411 155 HZ3 LYS 20 3HZ LYS 20 19.576 4.738 -5.908 156 H ILE 21 H ILE 21 13.218 6.652 -4.106 157 HA ILE 21 HA ILE 21 11.419 7.799 -6.022 158 HB ILE 21 HB ILE 21 11.017 6.947 -3.141 159 HG12 ILE 21 1HG1 ILE 21 10.094 5.474 -5.650 160 HG13 ILE 21 2HG1 ILE 21 11.685 5.179 -4.963 161 HG21 ILE 21 1HG2 ILE 21 8.820 7.340 -5.231 162 HG22 ILE 21 2HG2 ILE 21 8.635 7.008 -3.484 163 HG23 ILE 21 3HG2 ILE 21 9.201 8.556 -4.026 164 HD11 ILE 21 1HD1 ILE 21 10.731 4.529 -2.823 165 HD12 ILE 21 2HD1 ILE 21 9.100 4.857 -3.385 166 HD13 ILE 21 3HD1 ILE 21 10.028 3.563 -4.153 167 H ARG 22 H ARG 22 12.722 9.096 -2.854 168 HA ARG 22 HA ARG 22 11.064 11.426 -2.920 169 HB2 ARG 22 1HB ARG 22 13.696 10.791 -1.553 170 HB3 ARG 22 2HB ARG 22 12.967 12.382 -1.461 171 HG2 ARG 22 1HG ARG 22 11.415 9.911 -0.670 172 HG3 ARG 22 2HG ARG 22 12.454 10.757 0.461 173 HD2 ARG 22 1HD ARG 22 10.157 12.108 -1.026 174 HD3 ARG 22 2HD ARG 22 10.020 11.388 0.580 175 HE ARG 22 HE ARG 22 12.195 13.256 0.473 176 HH11 ARG 22 1HH1 ARG 22 8.623 13.236 0.483 177 HH12 ARG 22 2HH1 ARG 22 8.505 14.737 1.347 178 HH21 ARG 22 1HH2 ARG 22 11.960 15.131 1.874 179 HH22 ARG 22 2HH2 ARG 22 10.381 15.797 2.145 180 H ALA 23 H ALA 23 14.175 10.651 -4.480 181 HA ALA 23 HA ALA 23 14.580 13.362 -5.378 182 HB1 ALA 23 1HB ALA 23 15.689 10.737 -6.459 183 HB2 ALA 23 2HB ALA 23 16.275 12.361 -6.874 184 HB3 ALA 23 3HB ALA 23 16.435 11.759 -5.216 185 H LYS 24 H LYS 24 13.147 10.429 -6.986 186 HA LYS 24 HA LYS 24 12.594 11.898 -9.435 187 HB2 LYS 24 1HB LYS 24 11.574 9.273 -8.306 188 HB3 LYS 24 2HB LYS 24 11.168 9.854 -9.922 189 HG2 LYS 24 1HG LYS 24 13.411 9.642 -10.706 190 HG3 LYS 24 2HG LYS 24 14.049 9.449 -9.060 191 HD2 LYS 24 1HD LYS 24 12.716 7.382 -8.781 192 HD3 LYS 24 2HD LYS 24 12.149 7.505 -10.451 193 HE2 LYS 24 1HE LYS 24 15.045 7.157 -9.547 194 HE3 LYS 24 2HE LYS 24 13.952 5.877 -10.079 195 HZ1 LYS 24 1HZ LYS 24 15.177 6.403 -11.954 196 HZ2 LYS 24 2HZ LYS 24 15.141 8.020 -11.696 197 HZ3 LYS 24 3HZ LYS 24 13.789 7.245 -12.221 198 H TYR 25 H TYR 25 10.562 10.784 -6.742 199 HA TYR 25 HA TYR 25 8.297 12.484 -7.563 200 HB2 TYR 25 2HB TYR 25 8.153 9.777 -6.208 201 HB3 TYR 25 3HB TYR 25 6.838 10.757 -6.866 202 HD1 TYR 25 1HD TYR 25 9.271 8.159 -7.569 203 HD2 TYR 25 2HD TYR 25 6.853 11.235 -9.409 204 HE1 TYR 25 1HE TYR 25 9.537 7.059 -9.756 205 HE2 TYR 25 2HE TYR 25 7.132 10.170 -11.568 206 HH TYR 25 HH TYR 25 7.999 8.377 -12.720 207 HA PRO 26 HA PRO 26 9.662 13.659 -3.231 208 HB2 PRO 26 2HB PRO 26 9.600 16.373 -3.619 209 HB3 PRO 26 3HB PRO 26 11.007 15.370 -4.050 210 HG2 PRO 26 2HG PRO 26 8.806 16.383 -5.856 211 HG3 PRO 26 3HG PRO 26 10.582 16.375 -6.149 212 HD2 PRO 26 2HD PRO 26 8.891 14.471 -7.143 213 HD3 PRO 26 3HD PRO 26 10.594 14.113 -6.672 214 H ASP 27 H ASP 27 6.963 13.986 -5.273 215 HA ASP 27 HA ASP 27 5.133 15.209 -3.261 216 HB2 ASP 27 1HB ASP 27 5.425 16.248 -5.516 217 HB3 ASP 27 2HB ASP 27 4.983 14.706 -6.253 218 H ARG 28 H ARG 28 6.238 12.209 -3.840 219 HA ARG 28 HA ARG 28 3.538 10.963 -3.465 220 HB2 ARG 28 1HB ARG 28 5.788 9.778 -5.151 221 HB3 ARG 28 2HB ARG 28 4.330 8.931 -4.657 222 HG2 ARG 28 1HG ARG 28 2.968 10.712 -5.810 223 HG3 ARG 28 2HG ARG 28 4.447 11.331 -6.516 224 HD2 ARG 28 1HD ARG 28 4.625 9.502 -7.980 225 HD3 ARG 28 2HD ARG 28 3.844 8.400 -6.850 226 HE ARG 28 HE ARG 28 1.946 8.659 -7.944 227 HH11 ARG 28 1HH1 ARG 28 3.605 11.812 -8.248 228 HH12 ARG 28 2HH1 ARG 28 2.222 12.562 -8.951 229 HH21 ARG 28 1HH2 ARG 28 0.243 9.700 -9.313 230 HH22 ARG 28 2HH2 ARG 28 0.559 11.326 -9.804 231 H VAL 29 H VAL 29 3.524 8.926 -2.315 232 HA VAL 29 HA VAL 29 5.774 8.738 -0.414 233 HB VAL 29 HB VAL 29 4.117 8.164 1.312 234 HG11 VAL 29 1HG1 VAL 29 5.016 10.457 1.090 235 HG12 VAL 29 2HG1 VAL 29 3.706 10.874 -0.030 236 HG13 VAL 29 3HG1 VAL 29 3.330 10.488 1.648 237 HG21 VAL 29 1HG2 VAL 29 1.760 8.710 1.037 238 HG22 VAL 29 2HG2 VAL 29 1.999 9.138 -0.658 239 HG23 VAL 29 3HG2 VAL 29 2.210 7.451 -0.120 240 HA PRO 30 HA PRO 30 5.929 4.522 -1.778 241 HB2 PRO 30 2HB PRO 30 7.720 3.514 -0.012 242 HB3 PRO 30 3HB PRO 30 8.171 4.821 -1.146 243 HG2 PRO 30 2HG PRO 30 7.397 5.066 1.766 244 HG3 PRO 30 3HG PRO 30 8.760 5.841 0.917 245 HD2 PRO 30 2HD PRO 30 6.297 7.045 1.374 246 HD3 PRO 30 3HD PRO 30 7.390 7.472 0.027 247 H VAL 31 H VAL 31 4.293 3.081 -1.582 248 HA VAL 31 HA VAL 31 3.510 2.170 1.126 249 HB VAL 31 HB VAL 31 1.694 2.661 -1.280 250 HG11 VAL 31 1HG1 VAL 31 1.140 1.760 1.598 251 HG12 VAL 31 2HG1 VAL 31 -0.114 2.321 0.482 252 HG13 VAL 31 3HG1 VAL 31 0.794 0.858 0.105 253 HG21 VAL 31 1HG2 VAL 31 2.005 4.204 1.315 254 HG22 VAL 31 2HG2 VAL 31 2.379 4.809 -0.313 255 HG23 VAL 31 3HG2 VAL 31 0.704 4.468 0.132 256 H ILE 32 H ILE 32 2.927 -0.013 1.286 257 HA ILE 32 HA ILE 32 3.562 -1.817 -0.983 258 HB ILE 32 HB ILE 32 4.290 -2.107 1.963 259 HG12 ILE 32 1HG1 ILE 32 5.939 -0.810 0.772 260 HG13 ILE 32 2HG1 ILE 32 6.597 -2.388 1.148 261 HG21 ILE 32 1HG2 ILE 32 3.498 -4.272 1.302 262 HG22 ILE 32 2HG2 ILE 32 4.380 -4.209 -0.239 263 HG23 ILE 32 3HG2 ILE 32 5.267 -4.333 1.288 264 HD11 ILE 32 1HD1 ILE 32 7.262 -1.720 -1.110 265 HD12 ILE 32 2HD1 ILE 32 6.175 -3.115 -1.228 266 HD13 ILE 32 3HD1 ILE 32 5.588 -1.487 -1.593 267 H VAL 33 H VAL 33 1.974 -3.254 -1.383 268 HA VAL 33 HA VAL 33 -0.368 -3.356 0.440 269 HB VAL 33 HB VAL 33 -0.423 -3.346 -2.602 270 HG11 VAL 33 1HG1 VAL 33 -2.663 -3.043 -0.551 271 HG12 VAL 33 2HG1 VAL 33 -2.850 -2.987 -2.320 272 HG13 VAL 33 3HG1 VAL 33 -2.335 -4.483 -1.530 273 HG21 VAL 33 1HG2 VAL 33 -1.377 -1.096 -2.552 274 HG22 VAL 33 2HG2 VAL 33 -1.092 -0.994 -0.807 275 HG23 VAL 33 3HG2 VAL 33 0.270 -1.091 -1.923 276 H GLU 34 H GLU 34 -0.632 -5.459 1.176 277 HA GLU 34 HA GLU 34 -0.000 -7.675 -0.751 278 HB2 GLU 34 1HB GLU 34 0.666 -7.790 2.202 279 HB3 GLU 34 2HB GLU 34 0.844 -9.075 0.997 280 HG2 GLU 34 1HG GLU 34 2.565 -7.703 -0.179 281 HG3 GLU 34 2HG GLU 34 2.556 -6.598 1.205 282 H LYS 35 H LYS 35 -1.330 -9.627 -0.388 283 HA LYS 35 HA LYS 35 -3.895 -8.879 0.906 284 HB2 LYS 35 1HB LYS 35 -4.960 -10.658 -0.254 285 HB3 LYS 35 2HB LYS 35 -4.070 -9.627 -1.349 286 HG2 LYS 35 1HG LYS 35 -3.855 -11.768 -2.159 287 HG3 LYS 35 2HG LYS 35 -2.271 -11.377 -1.495 288 HD2 LYS 35 1HD LYS 35 -2.720 -12.892 0.410 289 HD3 LYS 35 2HD LYS 35 -4.402 -13.048 -0.125 290 HE2 LYS 35 1HE LYS 35 -3.318 -15.023 -0.751 291 HE3 LYS 35 2HE LYS 35 -3.580 -14.123 -2.247 292 HZ1 LYS 35 1HZ LYS 35 -1.382 -15.203 -2.006 293 HZ2 LYS 35 2HZ LYS 35 -1.040 -14.264 -0.739 294 HZ3 LYS 35 3HZ LYS 35 -1.242 -13.566 -2.228 295 H VAL 36 H VAL 36 -5.036 -10.450 2.295 296 HA VAL 36 HA VAL 36 -3.244 -11.515 4.326 297 HB VAL 36 HB VAL 36 -6.265 -11.734 3.963 298 HG11 VAL 36 1HG1 VAL 36 -6.322 -12.389 6.347 299 HG12 VAL 36 2HG1 VAL 36 -5.435 -13.578 5.396 300 HG13 VAL 36 3HG1 VAL 36 -4.546 -12.412 6.400 301 HG21 VAL 36 1HG2 VAL 36 -4.569 -9.953 5.790 302 HG22 VAL 36 2HG2 VAL 36 -5.474 -9.402 4.369 303 HG23 VAL 36 3HG2 VAL 36 -6.342 -10.031 5.769 304 H SER 37 H SER 37 -2.225 -13.470 4.164 305 HA SER 37 HA SER 37 -2.388 -15.181 1.982 306 HB2 SER 37 1HB SER 37 -1.116 -16.692 3.743 307 HB3 SER 37 2HB SER 37 -0.386 -15.210 3.127 308 HG SER 37 HG SER 37 -1.541 -15.702 5.629 309 H GLY 38 H GLY 38 -4.125 -16.386 1.372 310 HA2 GLY 38 1HA GLY 38 -5.218 -18.478 1.687 311 HA3 GLY 38 2HA GLY 38 -5.507 -18.090 3.379 312 H SER 39 H SER 39 -6.115 -15.154 2.078 313 HA SER 39 HA SER 39 -8.944 -15.511 2.222 314 HB2 SER 39 1HB SER 39 -9.058 -13.165 1.470 315 HB3 SER 39 2HB SER 39 -7.933 -13.414 2.808 316 HG SER 39 HG SER 39 -6.217 -13.224 1.456 317 H GLN 40 H GLN 40 -10.522 -15.545 0.630 318 HA GLN 40 HA GLN 40 -9.954 -16.990 -1.782 319 HB2 GLN 40 1HB GLN 40 -12.345 -15.545 -0.687 320 HB3 GLN 40 2HB GLN 40 -12.456 -16.511 -2.151 321 HG2 GLN 40 1HG GLN 40 -11.562 -17.676 0.527 322 HG3 GLN 40 2HG GLN 40 -13.233 -17.631 -0.018 323 HE21 GLN 40 1HE2 GLN 40 -10.973 -20.665 -1.306 324 HE22 GLN 40 2HE2 GLN 40 -10.581 -19.640 0.064 325 H ILE 41 H ILE 41 -9.307 -13.754 -1.373 326 HA ILE 41 HA ILE 41 -10.369 -12.869 -3.984 327 HB ILE 41 HB ILE 41 -10.704 -11.412 -2.112 328 HG12 ILE 41 1HG1 ILE 41 -8.622 -9.999 -3.746 329 HG13 ILE 41 2HG1 ILE 41 -10.137 -10.535 -4.488 330 HG21 ILE 41 1HG2 ILE 41 -7.656 -11.396 -1.822 331 HG22 ILE 41 2HG2 ILE 41 -8.712 -10.222 -1.032 332 HG23 ILE 41 3HG2 ILE 41 -8.850 -11.934 -0.632 333 HD11 ILE 41 1HD1 ILE 41 -10.240 -8.186 -3.812 334 HD12 ILE 41 2HD1 ILE 41 -11.434 -9.161 -2.952 335 HD13 ILE 41 3HD1 ILE 41 -9.948 -8.630 -2.122 336 H VAL 42 H VAL 42 -8.702 -11.557 -5.381 337 HA VAL 42 HA VAL 42 -6.707 -13.405 -6.265 338 HB VAL 42 HB VAL 42 -6.226 -11.685 -7.941 339 HG11 VAL 42 1HG1 VAL 42 -9.247 -11.828 -7.503 340 HG12 VAL 42 2HG1 VAL 42 -8.386 -11.539 -9.025 341 HG13 VAL 42 3HG1 VAL 42 -8.268 -13.116 -8.235 342 HG21 VAL 42 1HG2 VAL 42 -8.050 -9.841 -6.370 343 HG22 VAL 42 2HG2 VAL 42 -6.299 -9.670 -6.610 344 HG23 VAL 42 3HG2 VAL 42 -7.378 -9.556 -7.998 345 H ASP 43 H ASP 43 -4.437 -12.995 -6.497 346 HA ASP 43 HA ASP 43 -3.236 -11.827 -4.100 347 HB2 ASP 43 1HB ASP 43 -2.559 -14.074 -5.002 348 HB3 ASP 43 2HB ASP 43 -1.909 -13.242 -6.429 349 H ILE 44 H ILE 44 -1.226 -10.547 -4.327 350 HA ILE 44 HA ILE 44 -1.245 -8.671 -6.599 351 HB ILE 44 HB ILE 44 -2.472 -7.619 -4.808 352 HG12 ILE 44 1HG1 ILE 44 0.250 -6.280 -4.964 353 HG13 ILE 44 2HG1 ILE 44 -0.832 -6.404 -6.358 354 HG21 ILE 44 1HG2 ILE 44 -0.001 -7.983 -3.063 355 HG22 ILE 44 2HG2 ILE 44 -1.390 -7.003 -2.639 356 HG23 ILE 44 3HG2 ILE 44 -1.595 -8.746 -2.824 357 HD11 ILE 44 1HD1 ILE 44 -1.521 -5.053 -3.728 358 HD12 ILE 44 2HD1 ILE 44 -1.181 -4.257 -5.270 359 HD13 ILE 44 3HD1 ILE 44 -2.633 -5.263 -5.098 360 H ASP 45 H ASP 45 0.684 -8.632 -7.519 361 HA ASP 45 HA ASP 45 2.878 -10.244 -6.615 362 HB2 ASP 45 1HB ASP 45 2.631 -8.071 -8.736 363 HB3 ASP 45 2HB ASP 45 4.098 -9.006 -8.494 364 H LYS 46 H LYS 46 5.115 -9.394 -6.335 365 HA LYS 46 HA LYS 46 5.151 -7.413 -4.185 366 HB2 LYS 46 1HB LYS 46 7.245 -9.128 -5.588 367 HB3 LYS 46 2HB LYS 46 7.701 -7.810 -4.518 368 HG2 LYS 46 1HG LYS 46 7.628 -9.350 -2.906 369 HG3 LYS 46 2HG LYS 46 5.910 -8.989 -2.879 370 HD2 LYS 46 1HD LYS 46 5.636 -10.949 -4.581 371 HD3 LYS 46 2HD LYS 46 7.333 -11.315 -4.229 372 HE2 LYS 46 1HE LYS 46 6.307 -12.637 -2.615 373 HE3 LYS 46 2HE LYS 46 6.546 -11.136 -1.701 374 HZ1 LYS 46 1HZ LYS 46 4.075 -12.068 -2.981 375 HZ2 LYS 46 2HZ LYS 46 4.239 -10.543 -2.379 376 HZ3 LYS 46 3HZ LYS 46 4.347 -11.828 -1.370 377 H ARG 47 H ARG 47 4.673 -5.421 -4.849 378 HA ARG 47 HA ARG 47 6.423 -4.154 -6.882 379 HB2 ARG 47 1HB ARG 47 3.437 -3.683 -6.638 380 HB3 ARG 47 2HB ARG 47 4.500 -2.911 -7.796 381 HG2 ARG 47 1HG ARG 47 3.651 -5.828 -7.722 382 HG3 ARG 47 2HG ARG 47 3.159 -4.614 -8.881 383 HD2 ARG 47 1HD ARG 47 6.069 -5.261 -8.673 384 HD3 ARG 47 2HD ARG 47 4.972 -6.398 -9.476 385 HE ARG 47 HE ARG 47 4.726 -3.664 -10.425 386 HH11 ARG 47 1HH1 ARG 47 6.658 -6.696 -10.722 387 HH12 ARG 47 2HH1 ARG 47 7.241 -6.267 -12.283 388 HH21 ARG 47 1HH2 ARG 47 5.629 -3.157 -12.509 389 HH22 ARG 47 2HH2 ARG 47 6.761 -4.238 -13.244 390 H LYS 48 H LYS 48 6.445 -1.805 -6.621 391 HA LYS 48 HA LYS 48 6.076 -1.002 -3.738 392 HB2 LYS 48 1HB LYS 48 7.979 0.499 -5.509 393 HB3 LYS 48 2HB LYS 48 7.932 0.279 -3.779 394 HG2 LYS 48 1HG LYS 48 8.615 -2.158 -4.184 395 HG3 LYS 48 2HG LYS 48 8.908 -1.667 -5.871 396 HD2 LYS 48 1HD LYS 48 10.318 0.274 -4.641 397 HD3 LYS 48 2HD LYS 48 10.382 -0.936 -3.352 398 HE2 LYS 48 1HE LYS 48 11.326 -2.568 -5.069 399 HE3 LYS 48 2HE LYS 48 11.338 -1.269 -6.247 400 HZ1 LYS 48 1HZ LYS 48 13.461 -1.548 -5.248 401 HZ2 LYS 48 2HZ LYS 48 12.884 -1.392 -3.727 402 HZ3 LYS 48 3HZ LYS 48 12.927 -0.101 -4.767 403 H TYR 49 H TYR 49 4.115 0.130 -3.654 404 HA TYR 49 HA TYR 49 3.264 1.572 -6.067 405 HB2 TYR 49 2HB TYR 49 1.840 0.855 -3.486 406 HB3 TYR 49 3HB TYR 49 1.120 1.779 -4.806 407 HD1 TYR 49 1HD TYR 49 1.809 -1.579 -3.598 408 HD2 TYR 49 2HD TYR 49 1.135 0.701 -7.194 409 HE1 TYR 49 1HE TYR 49 1.261 -3.650 -4.821 410 HE2 TYR 49 2HE TYR 49 0.659 -1.346 -8.435 411 HH TYR 49 HH TYR 49 0.840 -3.705 -8.368 412 H LEU 50 H LEU 50 3.653 3.584 -6.391 413 HA LEU 50 HA LEU 50 4.350 5.483 -4.228 414 HB2 LEU 50 1HB LEU 50 4.525 5.901 -7.250 415 HB3 LEU 50 2HB LEU 50 5.222 6.877 -5.962 416 HG LEU 50 HG LEU 50 6.103 4.123 -6.895 417 HD11 LEU 50 1HD1 LEU 50 7.305 6.914 -6.942 418 HD12 LEU 50 2HD1 LEU 50 6.807 5.941 -8.335 419 HD13 LEU 50 3HD1 LEU 50 8.211 5.455 -7.371 420 HD21 LEU 50 1HD2 LEU 50 7.098 5.753 -4.545 421 HD22 LEU 50 2HD2 LEU 50 7.881 4.292 -5.239 422 HD23 LEU 50 3HD2 LEU 50 6.281 4.187 -4.490 423 H VAL 51 H VAL 51 2.495 6.483 -3.413 424 HA VAL 51 HA VAL 51 0.450 7.311 -5.421 425 HB VAL 51 HB VAL 51 -1.088 7.260 -3.556 426 HG11 VAL 51 1HG1 VAL 51 -0.677 5.253 -5.060 427 HG12 VAL 51 2HG1 VAL 51 0.356 4.591 -3.784 428 HG13 VAL 51 3HG1 VAL 51 -1.364 4.874 -3.465 429 HG21 VAL 51 1HG2 VAL 51 -0.544 6.052 -1.455 430 HG22 VAL 51 2HG2 VAL 51 1.172 6.098 -1.897 431 HG23 VAL 51 3HG2 VAL 51 0.278 7.608 -1.602 432 HA PRO 52 HA PRO 52 1.756 11.439 -4.360 433 HB2 PRO 52 2HB PRO 52 -0.239 12.996 -5.320 434 HB3 PRO 52 3HB PRO 52 0.875 12.094 -6.394 435 HG2 PRO 52 2HG PRO 52 -1.895 11.344 -5.500 436 HG3 PRO 52 3HG PRO 52 -1.241 11.265 -7.144 437 HD2 PRO 52 2HD PRO 52 -1.352 9.059 -5.475 438 HD3 PRO 52 3HD PRO 52 -0.047 9.274 -6.675 439 H SER 53 H SER 53 1.656 12.802 -2.647 440 HA SER 53 HA SER 53 0.059 12.112 -0.407 441 HB2 SER 53 1HB SER 53 1.593 14.639 -1.098 442 HB3 SER 53 2HB SER 53 0.891 14.316 0.489 443 HG SER 53 HG SER 53 3.005 13.659 0.515 444 H ASP 54 H ASP 54 -0.779 14.013 -3.146 445 HA ASP 54 HA ASP 54 -2.633 15.820 -1.924 446 HB2 ASP 54 1HB ASP 54 -1.781 15.155 -4.660 447 HB3 ASP 54 2HB ASP 54 -3.413 15.806 -4.508 448 H ILE 55 H ILE 55 -3.055 12.551 -3.323 449 HA ILE 55 HA ILE 55 -5.968 12.806 -3.363 450 HB ILE 55 HB ILE 55 -5.965 10.479 -4.016 451 HG12 ILE 55 1HG1 ILE 55 -3.121 10.028 -4.415 452 HG13 ILE 55 2HG1 ILE 55 -3.443 10.314 -2.726 453 HG21 ILE 55 1HG2 ILE 55 -3.983 12.162 -5.578 454 HG22 ILE 55 2HG2 ILE 55 -4.796 10.698 -6.171 455 HG23 ILE 55 3HG2 ILE 55 -5.743 12.126 -5.746 456 HD11 ILE 55 1HD1 ILE 55 -5.130 8.532 -2.709 457 HD12 ILE 55 2HD1 ILE 55 -4.883 8.257 -4.449 458 HD13 ILE 55 3HD1 ILE 55 -3.579 7.923 -3.283 459 H THR 56 H THR 56 -7.346 11.038 -2.218 460 HA THR 56 HA THR 56 -6.502 10.891 0.616 461 HB THR 56 HB THR 56 -8.976 10.674 1.003 462 HG1 THR 56 1HG THR 56 -10.363 10.995 -0.648 463 HG21 THR 56 1HG2 THR 56 -8.091 13.202 -0.424 464 HG22 THR 56 2HG2 THR 56 -7.951 12.843 1.315 465 HG23 THR 56 3HG2 THR 56 -9.546 13.004 0.578 466 H VAL 57 H VAL 57 -7.499 9.089 1.811 467 HA VAL 57 HA VAL 57 -6.652 6.556 0.866 468 HB VAL 57 HB VAL 57 -8.633 7.411 2.987 469 HG11 VAL 57 1HG1 VAL 57 -9.103 5.014 2.424 470 HG12 VAL 57 2HG1 VAL 57 -7.388 4.642 2.656 471 HG13 VAL 57 3HG1 VAL 57 -8.387 5.184 4.021 472 HG21 VAL 57 1HG2 VAL 57 -6.818 6.953 4.546 473 HG22 VAL 57 2HG2 VAL 57 -5.777 6.485 3.172 474 HG23 VAL 57 3HG2 VAL 57 -6.323 8.166 3.364 475 H ALA 58 H ALA 58 -9.852 8.173 0.529 476 HA ALA 58 HA ALA 58 -11.226 5.874 -0.443 477 HB1 ALA 58 1HB ALA 58 -12.305 8.060 0.254 478 HB2 ALA 58 2HB ALA 58 -11.717 8.757 -1.271 479 HB3 ALA 58 3HB ALA 58 -12.872 7.399 -1.288 480 H GLN 59 H GLN 59 -9.351 8.444 -2.237 481 HA GLN 59 HA GLN 59 -9.892 7.448 -4.839 482 HB2 GLN 59 1HB GLN 59 -7.373 8.802 -3.792 483 HB3 GLN 59 2HB GLN 59 -7.854 8.701 -5.481 484 HG2 GLN 59 1HG GLN 59 -9.391 10.209 -3.311 485 HG3 GLN 59 2HG GLN 59 -8.228 10.945 -4.411 486 HE21 GLN 59 1HE2 GLN 59 -10.338 10.723 -7.311 487 HE22 GLN 59 2HE2 GLN 59 -8.689 10.426 -6.836 488 H PHE 60 H PHE 60 -7.232 6.807 -2.490 489 HA PHE 60 HA PHE 60 -5.796 5.007 -4.094 490 HB2 PHE 60 2HB PHE 60 -4.971 6.097 -2.031 491 HB3 PHE 60 3HB PHE 60 -6.018 5.067 -1.067 492 HD1 PHE 60 1HD PHE 60 -4.186 4.267 0.271 493 HD2 PHE 60 2HD PHE 60 -4.102 3.696 -4.017 494 HE1 PHE 60 1HE PHE 60 -2.345 2.660 0.518 495 HE2 PHE 60 2HE PHE 60 -2.235 2.109 -3.761 496 HZ PHE 60 HZ PHE 60 -1.340 1.581 -1.499 497 H MET 61 H MET 61 -8.360 4.266 -1.643 498 HA MET 61 HA MET 61 -8.389 1.491 -1.916 499 HB2 MET 61 1HB MET 61 -9.461 2.635 -0.083 500 HB3 MET 61 2HB MET 61 -10.508 3.560 -1.175 501 HG2 MET 61 1HG MET 61 -11.652 1.512 -1.869 502 HG3 MET 61 2HG MET 61 -10.618 0.530 -0.811 503 HE1 MET 61 1HE MET 61 -13.907 1.879 -1.293 504 HE2 MET 61 2HE MET 61 -13.629 0.207 -0.738 505 HE3 MET 61 3HE MET 61 -14.602 1.322 0.258 506 H TRP 62 H TRP 62 -10.169 4.049 -3.780 507 HA TRP 62 HA TRP 62 -11.654 2.174 -5.319 508 HB2 TRP 62 2HB TRP 62 -11.169 5.106 -5.526 509 HB3 TRP 62 3HB TRP 62 -11.762 4.217 -6.928 510 HD1 TRP 62 HD1 TRP 62 -12.853 4.496 -3.216 511 HE1 TRP 62 1HE TRP 62 -15.399 4.407 -3.116 512 HE3 TRP 62 3HE TRP 62 -13.792 3.880 -8.199 513 HZ2 TRP 62 2HZ TRP 62 -17.598 3.951 -4.993 514 HZ3 TRP 62 3HZ TRP 62 -16.117 3.555 -9.016 515 HH2 TRP 62 HH2 TRP 62 -18.010 3.550 -7.420 516 H ILE 63 H ILE 63 -8.399 3.635 -5.831 517 HA ILE 63 HA ILE 63 -8.224 2.458 -8.451 518 HB ILE 63 HB ILE 63 -5.816 3.058 -6.713 519 HG12 ILE 63 1HG1 ILE 63 -6.620 5.007 -8.827 520 HG13 ILE 63 2HG1 ILE 63 -7.599 5.052 -7.386 521 HG21 ILE 63 1HG2 ILE 63 -5.022 1.874 -8.549 522 HG22 ILE 63 2HG2 ILE 63 -6.369 2.355 -9.605 523 HG23 ILE 63 3HG2 ILE 63 -5.069 3.470 -9.316 524 HD11 ILE 63 1HD1 ILE 63 -5.232 5.135 -6.148 525 HD12 ILE 63 2HD1 ILE 63 -4.703 5.719 -7.736 526 HD13 ILE 63 3HD1 ILE 63 -5.943 6.590 -6.838 527 H ILE 64 H ILE 64 -7.099 1.349 -5.174 528 HA ILE 64 HA ILE 64 -5.928 -1.070 -5.952 529 HB ILE 64 HB ILE 64 -7.472 -0.323 -3.445 530 HG12 ILE 64 1HG1 ILE 64 -4.471 -0.751 -3.759 531 HG13 ILE 64 2HG1 ILE 64 -5.221 0.811 -4.044 532 HG21 ILE 64 1HG2 ILE 64 -6.446 -2.315 -2.322 533 HG22 ILE 64 2HG2 ILE 64 -7.576 -2.780 -3.572 534 HG23 ILE 64 3HG2 ILE 64 -5.833 -2.858 -3.892 535 HD11 ILE 64 1HD1 ILE 64 -4.372 0.737 -1.773 536 HD12 ILE 64 2HD1 ILE 64 -6.138 0.817 -1.727 537 HD13 ILE 64 3HD1 ILE 64 -5.287 -0.714 -1.404 538 H ARG 65 H ARG 65 -9.422 -0.592 -5.061 539 HA ARG 65 HA ARG 65 -10.105 -3.299 -5.625 540 HB2 ARG 65 1HB ARG 65 -12.427 -2.615 -5.539 541 HB3 ARG 65 2HB ARG 65 -11.505 -1.817 -4.267 542 HG2 ARG 65 1HG ARG 65 -11.312 0.160 -5.780 543 HG3 ARG 65 2HG ARG 65 -12.462 -0.598 -6.883 544 HD2 ARG 65 1HD ARG 65 -12.969 0.175 -3.974 545 HD3 ARG 65 2HD ARG 65 -13.469 1.100 -5.411 546 HE ARG 65 HE ARG 65 -14.429 -1.532 -5.691 547 HH11 ARG 65 1HH1 ARG 65 -15.141 1.655 -4.315 548 HH12 ARG 65 2HH1 ARG 65 -16.825 1.356 -4.111 549 HH21 ARG 65 1HH2 ARG 65 -16.668 -1.899 -5.512 550 HH22 ARG 65 2HH2 ARG 65 -17.710 -0.757 -4.762 551 H LYS 66 H LYS 66 -10.086 -0.472 -7.867 552 HA LYS 66 HA LYS 66 -11.154 -2.045 -10.033 553 HB2 LYS 66 1HB LYS 66 -9.591 0.564 -9.969 554 HB3 LYS 66 2HB LYS 66 -10.188 -0.179 -11.463 555 HG2 LYS 66 1HG LYS 66 -12.505 -0.155 -10.561 556 HG3 LYS 66 2HG LYS 66 -11.948 0.685 -9.114 557 HD2 LYS 66 1HD LYS 66 -11.630 1.735 -11.959 558 HD3 LYS 66 2HD LYS 66 -12.973 2.147 -10.884 559 HE2 LYS 66 1HE LYS 66 -11.476 3.199 -9.274 560 HE3 LYS 66 2HE LYS 66 -10.052 2.680 -10.183 561 HZ1 LYS 66 1HZ LYS 66 -10.630 4.103 -11.953 562 HZ2 LYS 66 2HZ LYS 66 -10.757 5.019 -10.590 563 HZ3 LYS 66 3HZ LYS 66 -12.109 4.465 -11.323 564 H ARG 67 H ARG 67 -7.796 -1.304 -9.018 565 HA ARG 67 HA ARG 67 -6.441 -2.424 -11.206 566 HB2 ARG 67 1HB ARG 67 -5.779 -1.933 -8.280 567 HB3 ARG 67 2HB ARG 67 -4.656 -2.802 -9.270 568 HG2 ARG 67 1HG ARG 67 -5.684 -0.007 -9.896 569 HG3 ARG 67 2HG ARG 67 -4.160 -0.372 -9.075 570 HD2 ARG 67 1HD ARG 67 -4.893 -0.943 -11.963 571 HD3 ARG 67 2HD ARG 67 -3.663 0.159 -11.335 572 HE ARG 67 HE ARG 67 -3.280 -2.632 -10.561 573 HH11 ARG 67 1HH1 ARG 67 -2.575 -0.293 -13.167 574 HH12 ARG 67 2HH1 ARG 67 -1.518 -1.398 -13.998 575 HH21 ARG 67 1HH2 ARG 67 -1.828 -3.926 -11.498 576 HH22 ARG 67 2HH2 ARG 67 -1.037 -3.539 -12.998 577 H ILE 68 H ILE 68 -7.478 -3.983 -8.113 578 HA ILE 68 HA ILE 68 -6.443 -6.546 -9.131 579 HB ILE 68 HB ILE 68 -7.045 -7.465 -7.056 580 HG12 ILE 68 1HG1 ILE 68 -8.639 -4.932 -6.521 581 HG13 ILE 68 2HG1 ILE 68 -9.246 -6.570 -6.677 582 HG21 ILE 68 1HG2 ILE 68 -5.920 -4.701 -6.454 583 HG22 ILE 68 2HG2 ILE 68 -5.622 -6.219 -5.579 584 HG23 ILE 68 3HG2 ILE 68 -5.002 -6.029 -7.212 585 HD11 ILE 68 1HD1 ILE 68 -9.265 -6.011 -4.368 586 HD12 ILE 68 2HD1 ILE 68 -7.997 -7.227 -4.620 587 HD13 ILE 68 3HD1 ILE 68 -7.565 -5.513 -4.385 588 H GLN 69 H GLN 69 -9.189 -4.785 -9.833 589 HA GLN 69 HA GLN 69 -11.222 -5.159 -10.647 590 HB2 GLN 69 1HB GLN 69 -9.856 -7.672 -11.658 591 HB3 GLN 69 2HB GLN 69 -11.592 -7.406 -11.868 592 HG2 GLN 69 1HG GLN 69 -11.130 -5.208 -12.933 593 HG3 GLN 69 2HG GLN 69 -9.404 -5.581 -12.856 594 HE21 GLN 69 1HE2 GLN 69 -9.998 -6.734 -16.202 595 HE22 GLN 69 2HE2 GLN 69 -9.592 -5.314 -15.255 596 H LEU 70 H LEU 70 -11.784 -5.037 -8.402 597 HA LEU 70 HA LEU 70 -12.499 -7.516 -7.032 598 HB2 LEU 70 1HB LEU 70 -11.516 -5.661 -5.816 599 HB3 LEU 70 2HB LEU 70 -12.842 -4.603 -6.278 600 HG LEU 70 HG LEU 70 -12.711 -5.746 -3.890 601 HD11 LEU 70 1HD1 LEU 70 -14.498 -4.263 -4.569 602 HD12 LEU 70 2HD1 LEU 70 -15.110 -5.658 -3.637 603 HD13 LEU 70 3HD1 LEU 70 -15.327 -5.604 -5.390 604 HD21 LEU 70 1HD2 LEU 70 -13.784 -7.810 -3.600 605 HD22 LEU 70 2HD2 LEU 70 -12.586 -8.088 -4.859 606 HD23 LEU 70 3HD2 LEU 70 -14.314 -7.888 -5.279 607 HA PRO 71 HA PRO 71 -16.269 -7.155 -9.617 608 HB2 PRO 71 2HB PRO 71 -17.377 -9.556 -8.963 609 HB3 PRO 71 3HB PRO 71 -15.992 -9.423 -10.100 610 HG2 PRO 71 2HG PRO 71 -15.975 -9.960 -7.119 611 HG3 PRO 71 3HG PRO 71 -15.180 -10.950 -8.402 612 HD2 PRO 71 2HD PRO 71 -13.793 -9.134 -7.025 613 HD3 PRO 71 3HD PRO 71 -13.613 -9.239 -8.795 614 H SER 72 H SER 72 -18.643 -7.266 -9.271 615 HA SER 72 HA SER 72 -19.524 -5.813 -7.040 616 HB2 SER 72 1HB SER 72 -21.129 -7.664 -8.827 617 HB3 SER 72 2HB SER 72 -21.722 -6.232 -7.958 618 HG SER 72 HG SER 72 -21.247 -5.965 -10.255 619 H GLU 73 H GLU 73 -19.468 -9.324 -7.723 620 HA GLU 73 HA GLU 73 -21.017 -10.155 -5.560 621 HB2 GLU 73 1HB GLU 73 -19.848 -12.372 -5.852 622 HB3 GLU 73 2HB GLU 73 -20.750 -11.734 -7.205 623 HG2 GLU 73 1HG GLU 73 -17.802 -11.263 -7.137 624 HG3 GLU 73 2HG GLU 73 -18.404 -12.874 -7.477 625 H LYS 74 H LYS 74 -17.503 -9.397 -5.493 626 HA LYS 74 HA LYS 74 -17.556 -10.235 -2.636 627 HB2 LYS 74 1HB LYS 74 -14.973 -9.688 -4.054 628 HB3 LYS 74 2HB LYS 74 -15.294 -10.672 -2.651 629 HG2 LYS 74 1HG LYS 74 -15.997 -11.351 -5.530 630 HG3 LYS 74 2HG LYS 74 -14.644 -11.980 -4.631 631 HD2 LYS 74 1HD LYS 74 -17.551 -12.412 -3.792 632 HD3 LYS 74 2HD LYS 74 -16.701 -13.472 -4.905 633 HE2 LYS 74 1HE LYS 74 -15.751 -12.851 -2.082 634 HE3 LYS 74 2HE LYS 74 -16.724 -14.254 -2.522 635 HZ1 LYS 74 1HZ LYS 74 -13.982 -13.672 -3.445 636 HZ2 LYS 74 2HZ LYS 74 -14.917 -14.920 -4.041 637 HZ3 LYS 74 3HZ LYS 74 -14.487 -14.868 -2.457 638 H ALA 75 H ALA 75 -16.225 -8.873 -1.155 639 HA ALA 75 HA ALA 75 -16.666 -5.973 -1.687 640 HB1 ALA 75 1HB ALA 75 -16.884 -5.787 0.800 641 HB2 ALA 75 2HB ALA 75 -18.144 -6.775 0.045 642 HB3 ALA 75 3HB ALA 75 -16.806 -7.567 0.897 643 H ILE 76 H ILE 76 -15.000 -4.690 -0.027 644 HA ILE 76 HA ILE 76 -12.376 -6.010 -0.095 645 HB ILE 76 HB ILE 76 -12.511 -4.617 -2.096 646 HG12 ILE 76 1HG1 ILE 76 -10.560 -3.020 -1.519 647 HG13 ILE 76 2HG1 ILE 76 -10.611 -3.683 0.094 648 HG21 ILE 76 1HG2 ILE 76 -12.974 -2.198 -0.333 649 HG22 ILE 76 2HG2 ILE 76 -12.731 -2.214 -2.086 650 HG23 ILE 76 3HG2 ILE 76 -14.183 -2.947 -1.393 651 HD11 ILE 76 1HD1 ILE 76 -10.211 -5.956 -0.834 652 HD12 ILE 76 2HD1 ILE 76 -10.253 -5.275 -2.479 653 HD13 ILE 76 3HD1 ILE 76 -8.957 -4.813 -1.360 654 H PHE 77 H PHE 77 -11.151 -5.595 1.632 655 HA PHE 77 HA PHE 77 -12.019 -3.633 3.681 656 HB2 PHE 77 2HB PHE 77 -11.263 -6.513 4.292 657 HB3 PHE 77 3HB PHE 77 -11.848 -5.285 5.412 658 HD1 PHE 77 1HD PHE 77 -12.793 -7.787 2.914 659 HD2 PHE 77 2HD PHE 77 -14.255 -4.498 5.270 660 HE1 PHE 77 1HE PHE 77 -15.121 -8.417 2.350 661 HE2 PHE 77 2HE PHE 77 -16.588 -5.176 4.775 662 HZ PHE 77 HZ PHE 77 -17.032 -7.126 3.302 663 H LEU 78 H LEU 78 -10.292 -2.390 4.147 664 HA LEU 78 HA LEU 78 -7.518 -3.351 3.595 665 HB2 LEU 78 1HB LEU 78 -8.890 -0.648 3.277 666 HB3 LEU 78 2HB LEU 78 -7.144 -0.772 3.400 667 HG LEU 78 HG LEU 78 -8.552 -2.482 1.341 668 HD11 LEU 78 1HD1 LEU 78 -8.378 -0.668 -0.316 669 HD12 LEU 78 2HD1 LEU 78 -7.881 0.466 0.968 670 HD13 LEU 78 3HD1 LEU 78 -9.504 -0.256 0.996 671 HD21 LEU 78 1HD2 LEU 78 -5.891 -0.998 1.243 672 HD22 LEU 78 2HD2 LEU 78 -6.455 -2.299 0.168 673 HD23 LEU 78 3HD2 LEU 78 -6.068 -2.643 1.867 674 H PHE 79 H PHE 79 -6.037 -3.061 5.286 675 HA PHE 79 HA PHE 79 -6.796 -1.435 7.644 676 HB2 PHE 79 2HB PHE 79 -6.059 -4.373 7.730 677 HB3 PHE 79 3HB PHE 79 -6.084 -3.316 9.136 678 HD1 PHE 79 1HD PHE 79 -8.105 -5.282 6.782 679 HD2 PHE 79 2HD PHE 79 -8.246 -2.485 10.066 680 HE1 PHE 79 1HE PHE 79 -10.479 -5.869 7.180 681 HE2 PHE 79 2HE PHE 79 -10.622 -3.091 10.469 682 HZ PHE 79 HZ PHE 79 -11.752 -4.758 8.997 683 H VAL 80 H VAL 80 -5.018 -0.519 8.627 684 HA VAL 80 HA VAL 80 -2.309 -1.207 7.579 685 HB VAL 80 HB VAL 80 -3.618 1.496 8.175 686 HG11 VAL 80 1HG1 VAL 80 -1.333 1.627 8.999 687 HG12 VAL 80 2HG1 VAL 80 -0.702 0.850 7.531 688 HG13 VAL 80 3HG1 VAL 80 -1.424 2.471 7.463 689 HG21 VAL 80 1HG2 VAL 80 -2.416 0.431 5.649 690 HG22 VAL 80 2HG2 VAL 80 -4.164 0.624 5.946 691 HG23 VAL 80 3HG2 VAL 80 -3.120 2.055 5.875 692 H ASP 81 H ASP 81 -0.988 -1.838 9.246 693 HA ASP 81 HA ASP 81 -0.414 -2.375 11.386 694 HB2 ASP 81 1HB ASP 81 0.293 0.066 10.600 695 HB3 ASP 81 2HB ASP 81 -0.700 0.587 11.949 696 H LYS 82 H LYS 82 -3.027 -3.030 11.285 697 HA LYS 82 HA LYS 82 -4.743 -3.711 12.596 698 HB2 LYS 82 1HB LYS 82 -2.646 -3.311 14.462 699 HB3 LYS 82 2HB LYS 82 -4.034 -2.545 15.176 700 HG2 LYS 82 1HG LYS 82 -4.041 -4.698 15.999 701 HG3 LYS 82 2HG LYS 82 -5.316 -4.730 14.766 702 HD2 LYS 82 1HD LYS 82 -3.781 -5.817 13.186 703 HD3 LYS 82 2HD LYS 82 -2.436 -5.678 14.319 704 HE2 LYS 82 1HE LYS 82 -4.932 -7.410 14.634 705 HE3 LYS 82 2HE LYS 82 -3.294 -7.959 14.282 706 HZ1 LYS 82 1HZ LYS 82 -3.611 -8.285 16.546 707 HZ2 LYS 82 2HZ LYS 82 -4.290 -6.800 16.790 708 HZ3 LYS 82 3HZ LYS 82 -2.669 -6.938 16.459 709 H THR 83 H THR 83 -4.684 -0.766 11.442 710 HA THR 83 HA THR 83 -7.104 0.098 12.918 711 HB THR 83 HB THR 83 -6.418 2.373 12.730 712 HG1 THR 83 1HG THR 83 -4.200 2.738 11.878 713 HG21 THR 83 1HG2 THR 83 -3.947 0.910 13.702 714 HG22 THR 83 2HG2 THR 83 -5.442 1.084 14.658 715 HG23 THR 83 3HG2 THR 83 -4.506 2.518 14.181 716 H VAL 84 H VAL 84 -8.445 1.599 11.642 717 HA VAL 84 HA VAL 84 -8.750 0.572 8.874 718 HB VAL 84 HB VAL 84 -10.702 1.928 10.791 719 HG11 VAL 84 1HG1 VAL 84 -12.409 1.437 8.981 720 HG12 VAL 84 2HG1 VAL 84 -11.280 2.730 8.590 721 HG13 VAL 84 3HG1 VAL 84 -11.060 1.138 7.859 722 HG21 VAL 84 1HG2 VAL 84 -10.465 -0.883 9.642 723 HG22 VAL 84 2HG2 VAL 84 -10.337 -0.392 11.331 724 HG23 VAL 84 3HG2 VAL 84 -11.896 -0.295 10.516 725 HA PRO 85 HA PRO 85 -6.961 4.704 8.148 726 HB2 PRO 85 2HB PRO 85 -6.594 4.545 5.445 727 HB3 PRO 85 3HB PRO 85 -5.526 3.730 6.634 728 HG2 PRO 85 2HG PRO 85 -7.830 2.512 5.083 729 HG3 PRO 85 3HG PRO 85 -6.170 1.870 5.290 730 HD2 PRO 85 2HD PRO 85 -8.247 1.044 6.850 731 HD3 PRO 85 3HD PRO 85 -6.596 1.230 7.526 732 H GLN 86 H GLN 86 -8.336 6.445 8.121 733 HA GLN 86 HA GLN 86 -11.060 6.159 7.280 734 HB2 GLN 86 1HB GLN 86 -10.449 7.525 9.165 735 HB3 GLN 86 2HB GLN 86 -9.446 8.590 8.175 736 HG2 GLN 86 1HG GLN 86 -11.274 9.641 7.183 737 HG3 GLN 86 2HG GLN 86 -12.306 8.222 7.342 738 HE21 GLN 86 1HE2 GLN 86 -12.819 11.057 10.051 739 HE22 GLN 86 2HE2 GLN 86 -12.096 11.353 8.477 740 H SER 87 H SER 87 -11.848 6.319 5.268 741 HA SER 87 HA SER 87 -10.593 6.730 2.917 742 HB2 SER 87 1HB SER 87 -12.885 7.079 2.034 743 HB3 SER 87 2HB SER 87 -12.758 5.743 3.191 744 HG SER 87 HG SER 87 -14.502 6.990 3.791 745 H SER 88 H SER 88 -12.029 9.320 4.907 746 HA SER 88 HA SER 88 -11.728 11.400 2.931 747 HB2 SER 88 1HB SER 88 -12.082 11.673 5.926 748 HB3 SER 88 2HB SER 88 -12.518 12.855 4.685 749 HG SER 88 HG SER 88 -14.096 11.328 3.922 750 H LEU 89 H LEU 89 -9.414 10.004 5.222 751 HA LEU 89 HA LEU 89 -7.898 12.383 5.664 752 HB2 LEU 89 1HB LEU 89 -7.986 10.271 7.076 753 HB3 LEU 89 2HB LEU 89 -7.053 9.461 5.819 754 HG LEU 89 HG LEU 89 -5.131 10.931 6.193 755 HD11 LEU 89 1HD1 LEU 89 -6.866 12.299 8.292 756 HD12 LEU 89 2HD1 LEU 89 -6.102 13.041 6.875 757 HD13 LEU 89 3HD1 LEU 89 -5.109 12.461 8.201 758 HD21 LEU 89 1HD2 LEU 89 -4.522 10.140 8.429 759 HD22 LEU 89 2HD2 LEU 89 -5.433 8.875 7.597 760 HD23 LEU 89 3HD2 LEU 89 -6.229 9.864 8.832 761 H THR 90 H THR 90 -5.941 13.084 4.636 762 HA THR 90 HA THR 90 -5.747 12.343 1.830 763 HB THR 90 HB THR 90 -4.008 14.139 1.854 764 HG1 THR 90 1HG THR 90 -3.897 15.447 3.633 765 HG21 THR 90 1HG2 THR 90 -6.815 14.845 2.831 766 HG22 THR 90 2HG2 THR 90 -6.282 14.665 1.151 767 HG23 THR 90 3HG2 THR 90 -5.671 16.002 2.137 768 H MET 91 H MET 91 -3.798 11.656 0.825 769 HA MET 91 HA MET 91 -2.517 9.555 2.166 770 HB2 MET 91 1HB MET 91 -2.046 11.070 -0.418 771 HB3 MET 91 2HB MET 91 -0.782 9.971 0.114 772 HG2 MET 91 1HG MET 91 -3.665 9.239 -0.489 773 HG3 MET 91 2HG MET 91 -2.237 8.891 -1.467 774 HE1 MET 91 1HE MET 91 -4.290 8.003 1.708 775 HE2 MET 91 2HE MET 91 -4.729 7.150 0.210 776 HE3 MET 91 3HE MET 91 -4.078 6.239 1.592 777 H GLY 92 H GLY 92 -1.415 12.922 1.636 778 HA2 GLY 92 1HA GLY 92 1.214 12.532 2.641 779 HA3 GLY 92 2HA GLY 92 0.325 14.062 2.615 780 H GLN 93 H GLN 93 -1.870 13.418 4.357 781 HA GLN 93 HA GLN 93 -0.585 13.824 6.879 782 HB2 GLN 93 1HB GLN 93 -3.458 13.386 5.964 783 HB3 GLN 93 2HB GLN 93 -3.028 13.335 7.652 784 HG2 GLN 93 1HG GLN 93 -1.918 15.640 7.339 785 HG3 GLN 93 2HG GLN 93 -2.772 15.711 5.798 786 HE21 GLN 93 1HE2 GLN 93 -4.805 16.049 9.396 787 HE22 GLN 93 2HE2 GLN 93 -3.168 15.431 9.353 788 H LEU 94 H LEU 94 -2.403 11.116 5.418 789 HA LEU 94 HA LEU 94 -2.254 9.368 7.606 790 HB2 LEU 94 1HB LEU 94 -3.775 9.110 5.757 791 HB3 LEU 94 2HB LEU 94 -2.485 8.768 4.625 792 HG LEU 94 HG LEU 94 -2.753 7.127 7.178 793 HD11 LEU 94 1HD1 LEU 94 -4.303 6.465 4.688 794 HD12 LEU 94 2HD1 LEU 94 -5.041 7.223 6.129 795 HD13 LEU 94 3HD1 LEU 94 -4.314 5.620 6.245 796 HD21 LEU 94 1HD2 LEU 94 -2.019 5.277 5.697 797 HD22 LEU 94 2HD2 LEU 94 -0.833 6.564 5.716 798 HD23 LEU 94 3HD2 LEU 94 -1.917 6.397 4.317 799 H TYR 95 H TYR 95 0.059 9.801 4.912 800 HA TYR 95 HA TYR 95 1.851 7.713 5.595 801 HB2 TYR 95 2HB TYR 95 1.997 8.894 3.448 802 HB3 TYR 95 3HB TYR 95 2.307 10.418 4.248 803 HD1 TYR 95 1HD TYR 95 3.821 6.944 4.488 804 HD2 TYR 95 2HD TYR 95 4.496 11.163 3.868 805 HE1 TYR 95 1HE TYR 95 6.215 6.505 4.173 806 HE2 TYR 95 2HE TYR 95 6.906 10.713 3.497 807 HH TYR 95 HH TYR 95 8.361 7.501 4.023 808 H GLU 96 H GLU 96 1.842 11.243 6.460 809 HA GLU 96 HA GLU 96 4.146 11.011 8.076 810 HB2 GLU 96 1HB GLU 96 2.599 13.122 7.181 811 HB3 GLU 96 2HB GLU 96 2.066 13.044 8.860 812 HG2 GLU 96 1HG GLU 96 4.756 12.914 9.240 813 HG3 GLU 96 2HG GLU 96 4.742 13.706 7.676 814 H LYS 97 H LYS 97 0.797 10.286 8.894 815 HA LYS 97 HA LYS 97 1.553 10.053 11.729 816 HB2 LYS 97 1HB LYS 97 -0.628 10.076 12.351 817 HB3 LYS 97 2HB LYS 97 -0.476 11.307 11.117 818 HG2 LYS 97 1HG LYS 97 -2.415 10.347 10.338 819 HG3 LYS 97 2HG LYS 97 -1.279 9.259 9.561 820 HD2 LYS 97 1HD LYS 97 -2.973 7.933 10.582 821 HD3 LYS 97 2HD LYS 97 -1.511 7.758 11.588 822 HE2 LYS 97 1HE LYS 97 -2.370 9.342 13.199 823 HE3 LYS 97 2HE LYS 97 -3.841 9.568 12.236 824 HZ1 LYS 97 1HZ LYS 97 -4.044 7.944 14.057 825 HZ2 LYS 97 2HZ LYS 97 -2.903 7.009 13.367 826 HZ3 LYS 97 3HZ LYS 97 -4.337 7.232 12.576 827 H GLU 98 H GLU 98 0.969 7.877 8.996 828 HA GLU 98 HA GLU 98 0.988 5.611 10.935 829 HB2 GLU 98 1HB GLU 98 0.112 5.544 8.032 830 HB3 GLU 98 2HB GLU 98 -0.024 4.251 9.238 831 HG2 GLU 98 1HG GLU 98 -1.400 5.927 10.617 832 HG3 GLU 98 2HG GLU 98 -1.503 6.887 9.150 833 H LYS 99 H LYS 99 3.293 7.259 9.178 834 HA LYS 99 HA LYS 99 4.733 5.430 7.734 835 HB2 LYS 99 1HB LYS 99 5.331 7.904 9.267 836 HB3 LYS 99 2HB LYS 99 6.658 6.764 9.337 837 HG2 LYS 99 1HG LYS 99 6.215 6.623 6.683 838 HG3 LYS 99 2HG LYS 99 5.632 8.271 6.983 839 HD2 LYS 99 1HD LYS 99 8.348 7.097 7.610 840 HD3 LYS 99 2HD LYS 99 7.970 8.338 6.411 841 HE2 LYS 99 1HE LYS 99 7.214 9.795 8.394 842 HE3 LYS 99 2HE LYS 99 7.903 8.551 9.448 843 HZ1 LYS 99 1HZ LYS 99 9.496 10.202 9.127 844 HZ2 LYS 99 2HZ LYS 99 9.345 10.196 7.480 845 HZ3 LYS 99 3HZ LYS 99 10.029 8.910 8.261 846 H ASP 100 H ASP 100 6.021 3.701 8.031 847 HA ASP 100 HA ASP 100 6.080 2.361 10.586 848 HB2 ASP 100 1HB ASP 100 5.949 1.099 8.476 849 HB3 ASP 100 2HB ASP 100 7.488 1.809 7.944 850 H GLU 101 H GLU 101 8.130 1.688 11.584 851 HA GLU 101 HA GLU 101 9.808 3.773 12.348 852 HB2 GLU 101 1HB GLU 101 11.070 2.064 13.488 853 HB3 GLU 101 2HB GLU 101 9.363 1.618 13.532 854 HG2 GLU 101 1HG GLU 101 9.884 0.118 11.469 855 HG3 GLU 101 2HG GLU 101 11.587 0.417 11.819 856 H ASP 102 H ASP 102 10.118 1.583 9.565 857 HA ASP 102 HA ASP 102 12.900 2.290 9.110 858 HB2 ASP 102 1HB ASP 102 11.330 0.149 8.435 859 HB3 ASP 102 2HB ASP 102 11.350 1.033 6.918 860 H GLY 103 H GLY 103 9.772 3.541 8.004 861 HA2 GLY 103 1HA GLY 103 10.058 5.934 7.363 862 HA3 GLY 103 2HA GLY 103 11.222 5.448 6.179 863 H PHE 104 H PHE 104 8.887 3.108 5.956 864 HA PHE 104 HA PHE 104 7.379 4.500 3.814 865 HB2 PHE 104 2HB PHE 104 7.464 2.521 2.529 866 HB3 PHE 104 3HB PHE 104 9.106 2.764 3.113 867 HD1 PHE 104 1HD PHE 104 6.436 0.412 2.811 868 HD2 PHE 104 2HD PHE 104 9.704 1.518 5.414 869 HE1 PHE 104 1HE PHE 104 6.246 -1.754 4.007 870 HE2 PHE 104 2HE PHE 104 9.467 -0.622 6.621 871 HZ PHE 104 HZ PHE 104 7.710 -2.202 5.982 872 H LEU 105 H LEU 105 5.331 2.865 3.238 873 HA LEU 105 HA LEU 105 3.987 2.351 5.856 874 HB2 LEU 105 1HB LEU 105 3.262 4.492 4.756 875 HB3 LEU 105 2HB LEU 105 2.801 3.553 3.334 876 HG LEU 105 HG LEU 105 1.171 2.259 4.797 877 HD11 LEU 105 1HD1 LEU 105 0.554 3.356 6.972 878 HD12 LEU 105 2HD1 LEU 105 1.980 4.392 6.825 879 HD13 LEU 105 3HD1 LEU 105 2.155 2.640 7.026 880 HD21 LEU 105 1HD2 LEU 105 0.454 4.105 3.366 881 HD22 LEU 105 2HD2 LEU 105 0.792 5.249 4.682 882 HD23 LEU 105 3HD2 LEU 105 -0.461 4.013 4.899 883 H TYR 106 H TYR 106 2.665 0.482 5.966 884 HA TYR 106 HA TYR 106 2.529 -1.219 3.534 885 HB2 TYR 106 2HB TYR 106 2.606 -3.143 5.140 886 HB3 TYR 106 3HB TYR 106 4.098 -2.282 4.875 887 HD1 TYR 106 1HD TYR 106 5.422 -1.627 6.688 888 HD2 TYR 106 2HD TYR 106 1.239 -2.451 7.382 889 HE1 TYR 106 1HE TYR 106 5.782 -1.443 9.096 890 HE2 TYR 106 2HE TYR 106 1.585 -2.187 9.801 891 HH TYR 106 HH TYR 106 3.206 -1.151 11.428 892 H VAL 107 H VAL 107 0.524 -2.075 3.026 893 HA VAL 107 HA VAL 107 -1.638 -1.822 5.008 894 HB VAL 107 HB VAL 107 -1.892 0.136 3.651 895 HG11 VAL 107 1HG1 VAL 107 -0.734 -0.415 1.614 896 HG12 VAL 107 2HG1 VAL 107 -1.941 -1.663 1.224 897 HG13 VAL 107 3HG1 VAL 107 -2.392 0.059 1.238 898 HG21 VAL 107 1HG2 VAL 107 -3.971 -1.899 2.767 899 HG22 VAL 107 2HG2 VAL 107 -3.940 -1.120 4.357 900 HG23 VAL 107 3HG2 VAL 107 -4.171 -0.137 2.908 901 H ALA 108 H ALA 108 -3.119 -3.498 4.976 902 HA ALA 108 HA ALA 108 -2.441 -5.727 3.128 903 HB1 ALA 108 1HB ALA 108 -3.416 -5.946 5.977 904 HB2 ALA 108 2HB ALA 108 -3.045 -7.290 4.883 905 HB3 ALA 108 3HB ALA 108 -1.737 -6.222 5.444 906 H TYR 109 H TYR 109 -4.241 -6.906 2.293 907 HA TYR 109 HA TYR 109 -6.905 -5.824 3.008 908 HB2 TYR 109 2HB TYR 109 -7.565 -5.327 0.831 909 HB3 TYR 109 3HB TYR 109 -5.957 -4.648 0.943 910 HD1 TYR 109 1HD TYR 109 -7.992 -7.388 -0.554 911 HD2 TYR 109 2HD TYR 109 -4.136 -5.470 -0.426 912 HE1 TYR 109 1HE TYR 109 -7.306 -8.645 -2.569 913 HE2 TYR 109 2HE TYR 109 -3.506 -6.633 -2.529 914 HH TYR 109 HH TYR 109 -5.359 -9.290 -3.924 915 H SER 110 H SER 110 -8.714 -7.058 2.294 916 HA SER 110 HA SER 110 -8.290 -9.779 1.352 917 HB2 SER 110 1HB SER 110 -9.644 -10.727 3.233 918 HB3 SER 110 2HB SER 110 -8.023 -10.205 3.696 919 HG SER 110 HG SER 110 -9.814 -9.624 5.109 920 H GLY 111 H GLY 111 -10.389 -10.658 0.638 921 HA2 GLY 111 1HA GLY 111 -12.351 -8.499 0.025 922 HA3 GLY 111 2HA GLY 111 -12.012 -9.896 -1.006 923 H GLU 112 H GLU 112 -12.235 -10.233 2.522 924 HA GLU 112 HA GLU 112 -14.915 -11.450 2.325 925 HB2 GLU 112 1HB GLU 112 -12.464 -12.687 3.682 926 HB3 GLU 112 2HB GLU 112 -14.106 -13.328 3.682 927 HG2 GLU 112 1HG GLU 112 -13.924 -13.324 1.106 928 HG3 GLU 112 2HG GLU 112 -12.187 -13.054 1.324 929 H ASN 113 H ASN 113 -16.138 -10.670 3.991 930 HA ASN 113 HA ASN 113 -15.115 -8.640 5.774 931 HB2 ASN 113 1HB ASN 113 -17.480 -8.559 5.334 932 HB3 ASN 113 2HB ASN 113 -17.699 -10.273 5.693 933 HD21 ASN 113 1HD2 ASN 113 -17.705 -9.785 9.266 934 HD22 ASN 113 2HD2 ASN 113 -17.690 -10.992 7.983 935 H THR 114 H THR 114 -15.918 -12.060 6.108 936 HA THR 114 HA THR 114 -14.753 -12.188 8.818 937 HB THR 114 HB THR 114 -16.289 -14.486 8.164 938 HG1 THR 114 1HG THR 114 -17.472 -13.229 6.686 939 HG21 THR 114 1HG2 THR 114 -16.961 -12.179 10.018 940 HG22 THR 114 2HG2 THR 114 -15.896 -13.536 10.413 941 HG23 THR 114 3HG2 THR 114 -17.620 -13.824 10.100 942 H PHE 115 H PHE 115 -12.870 -12.847 8.736 943 HA PHE 115 HA PHE 115 -11.529 -14.186 6.588 944 HB2 PHE 115 2HB PHE 115 -10.346 -13.783 9.330 945 HB3 PHE 115 3HB PHE 115 -9.557 -13.752 7.763 946 HD1 PHE 115 1HD PHE 115 -9.952 -11.794 10.394 947 HD2 PHE 115 2HD PHE 115 -11.167 -11.722 6.248 948 HE1 PHE 115 1HE PHE 115 -10.197 -9.323 10.497 949 HE2 PHE 115 2HE PHE 115 -11.415 -9.256 6.376 950 HZ PHE 115 HZ PHE 115 -10.887 -8.060 8.486 951 H GLY 116 H GLY 116 -12.953 -16.077 6.549 952 HA2 GLY 116 1HA GLY 116 -12.802 -18.040 8.763 953 HA3 GLY 116 2HA GLY 116 -13.711 -18.218 7.250 954 H1 GLY 330 H GLY 330 24.546 -2.874 3.902 955 HA2 GLY 330 1HA GLY 330 24.783 -1.796 1.737 956 HA3 GLY 330 2HA GLY 330 26.478 -1.480 2.134 957 H ALA 331 H ALA 331 24.112 -4.036 1.475 958 HA ALA 331 HA ALA 331 26.241 -5.786 0.367 959 HB1 ALA 331 1HB ALA 331 24.099 -6.691 2.324 960 HB2 ALA 331 2HB ALA 331 25.318 -7.715 1.531 961 HB3 ALA 331 3HB ALA 331 25.821 -6.477 2.704 962 H MET 332 H MET 332 23.237 -4.285 -0.076 963 HA MET 332 HA MET 332 21.578 -6.111 -1.329 964 HB2 MET 332 1HB MET 332 20.477 -4.159 -2.240 965 HB3 MET 332 2HB MET 332 21.030 -3.824 -0.595 966 HG2 MET 332 1HG MET 332 23.138 -2.792 -1.663 967 HG3 MET 332 2HG MET 332 22.296 -2.916 -3.210 968 HE1 MET 332 1HE MET 332 22.354 0.866 -2.521 969 HE2 MET 332 2HE MET 332 23.592 -0.349 -2.125 970 HE3 MET 332 3HE MET 332 22.687 -0.471 -3.644 971 H GLU 333 H GLU 333 24.605 -5.247 -2.588 972 HA GLU 333 HA GLU 333 24.165 -5.189 -5.408 973 HB2 GLU 333 1HB GLU 333 26.624 -5.754 -3.701 974 HB3 GLU 333 2HB GLU 333 26.666 -5.494 -5.441 975 HG2 GLU 333 1HG GLU 333 25.639 -3.425 -3.466 976 HG3 GLU 333 2HG GLU 333 27.306 -3.519 -4.018 977 H ILE 334 H ILE 334 22.616 -7.347 -4.897 978 HA ILE 334 HA ILE 334 24.252 -9.718 -5.617 979 HB ILE 334 HB ILE 334 22.588 -11.100 -4.542 980 HG12 ILE 334 1HG1 ILE 334 21.317 -8.651 -3.268 981 HG13 ILE 334 2HG1 ILE 334 20.646 -9.463 -4.677 982 HG21 ILE 334 1HG2 ILE 334 23.302 -10.749 -2.231 983 HG22 ILE 334 2HG2 ILE 334 24.638 -10.414 -3.342 984 HG23 ILE 334 3HG2 ILE 334 23.752 -9.072 -2.606 985 HD11 ILE 334 1HD1 ILE 334 21.033 -10.770 -1.966 986 HD12 ILE 334 2HD1 ILE 334 19.510 -10.287 -2.723 987 HD13 ILE 334 3HD1 ILE 334 20.476 -11.591 -3.434 988 H ILE 335 H ILE 335 23.108 -11.226 -7.035 989 HA ILE 335 HA ILE 335 21.126 -9.873 -8.797 990 HB ILE 335 HB ILE 335 21.942 -11.411 -10.509 991 HG12 ILE 335 1HG1 ILE 335 24.317 -12.104 -8.748 992 HG13 ILE 335 2HG1 ILE 335 22.885 -13.142 -8.815 993 HG21 ILE 335 1HG2 ILE 335 24.191 -9.729 -9.335 994 HG22 ILE 335 2HG2 ILE 335 23.943 -10.164 -11.039 995 HG23 ILE 335 3HG2 ILE 335 22.804 -9.082 -10.235 996 HD11 ILE 335 1HD1 ILE 335 24.574 -12.374 -11.220 997 HD12 ILE 335 2HD1 ILE 335 24.615 -13.928 -10.364 998 HD13 ILE 335 3HD1 ILE 335 23.149 -13.432 -11.234 999 H HIS 336 H HIS 336 21.044 -11.780 -6.227 1000 HA HIS 336 HA HIS 336 19.038 -13.685 -7.293 1001 HB2 HIS 336 1HB HIS 336 21.302 -14.537 -6.377 1002 HB3 HIS 336 2HB HIS 336 20.662 -14.137 -4.784 1003 HD1 HIS 336 HD1 HIS 336 20.012 -16.468 -7.800 1004 HD2 HIS 336 HD2 HIS 336 18.663 -15.742 -3.868 1005 HE1 HIS 336 HE1 HIS 336 18.510 -18.417 -7.185 1006 H GLU 337 H GLU 337 18.021 -11.188 -6.869 1007 HA GLU 337 HA GLU 337 17.165 -10.891 -4.085 1008 HB2 GLU 337 1HB GLU 337 17.518 -8.918 -5.562 1009 HB3 GLU 337 2HB GLU 337 16.146 -9.437 -6.567 1010 HG2 GLU 337 1HG GLU 337 14.698 -9.315 -4.492 1011 HG3 GLU 337 2HG GLU 337 16.091 -8.766 -3.578 1012 H ASP 338 H ASP 338 15.659 -12.276 -3.292 1013 HA ASP 338 HA ASP 338 14.274 -14.130 -4.893 1014 HB2 ASP 338 1HB ASP 338 14.952 -14.026 -2.314 1015 HB3 ASP 338 2HB ASP 338 13.284 -13.477 -2.131 1016 H ASN 339 H ASN 339 13.280 -10.932 -4.008 1017 HA ASN 339 HA ASN 339 10.477 -11.456 -4.942 1018 HB2 ASN 339 1HB ASN 339 11.584 -9.333 -3.099 1019 HB3 ASN 339 2HB ASN 339 9.937 -9.339 -3.724 1020 HD21 ASN 339 1HD2 ASN 339 10.975 -11.889 -0.648 1021 HD22 ASN 339 2HD2 ASN 339 12.217 -11.064 -1.538 1022 H GLU 340 H GLU 340 9.545 -9.823 -6.441 1023 HA GLU 340 HA GLU 340 11.596 -8.714 -8.196 1024 HB2 GLU 340 1HB GLU 340 9.631 -9.846 -9.115 1025 HB3 GLU 340 2HB GLU 340 8.566 -8.592 -8.446 1026 HG2 GLU 340 1HG GLU 340 9.655 -6.890 -9.841 1027 HG3 GLU 340 2HG GLU 340 10.882 -8.052 -10.364 1028 H TRP 341 H TRP 341 8.798 -7.212 -6.440 1029 HA TRP 341 HA TRP 341 8.359 -5.118 -5.807 1030 HB2 TRP 341 2HB TRP 341 11.308 -4.870 -5.292 1031 HB3 TRP 341 3HB TRP 341 10.012 -3.872 -4.642 1032 HD1 TRP 341 HD1 TRP 341 12.162 -6.478 -3.600 1033 HE1 TRP 341 1HE TRP 341 11.368 -7.619 -1.512 1034 HE3 TRP 341 3HE TRP 341 7.328 -4.792 -3.642 1035 HZ2 TRP 341 2HZ TRP 341 8.723 -8.186 -0.289 1036 HZ3 TRP 341 3HZ TRP 341 5.671 -5.682 -2.015 1037 HH2 TRP 341 HH2 TRP 341 6.347 -7.398 -0.351 1038 H GLY 342 H GLY 342 7.844 -4.951 -8.236 1039 HA2 GLY 342 1HA GLY 342 9.616 -3.158 -9.743 1040 HA3 GLY 342 2HA GLY 342 8.030 -3.762 -10.254 1041 H ILE 343 H ILE 343 9.474 -0.920 -9.599 1042 HA ILE 343 HA ILE 343 7.608 0.205 -7.673 1043 HB ILE 343 HB ILE 343 9.382 1.780 -9.560 1044 HG12 ILE 343 1HG1 ILE 343 10.103 0.480 -6.910 1045 HG13 ILE 343 2HG1 ILE 343 10.861 0.174 -8.473 1046 HG21 ILE 343 1HG2 ILE 343 9.241 3.494 -7.832 1047 HG22 ILE 343 2HG2 ILE 343 7.619 2.998 -8.273 1048 HG23 ILE 343 3HG2 ILE 343 8.330 2.403 -6.764 1049 HD11 ILE 343 1HD1 ILE 343 11.694 2.552 -8.469 1050 HD12 ILE 343 2HD1 ILE 343 11.124 2.686 -6.786 1051 HD13 ILE 343 3HD1 ILE 343 12.371 1.505 -7.205 1052 H GLU 344 H GLU 344 5.619 1.142 -8.100 1053 HA GLU 344 HA GLU 344 4.876 1.633 -10.945 1054 HB2 GLU 344 1HB GLU 344 3.393 0.102 -8.757 1055 HB3 GLU 344 2HB GLU 344 2.594 0.703 -10.207 1056 HG2 GLU 344 1HG GLU 344 4.831 -1.351 -10.063 1057 HG3 GLU 344 2HG GLU 344 3.153 -1.639 -10.480 1058 H LEU 345 H LEU 345 3.353 3.347 -11.276 1059 HA LEU 345 HA LEU 345 3.165 5.268 -9.034 1060 HB2 LEU 345 1HB LEU 345 4.623 5.762 -10.997 1061 HB3 LEU 345 2HB LEU 345 3.221 5.701 -12.062 1062 HG LEU 345 HG LEU 345 3.280 7.463 -9.621 1063 HD11 LEU 345 1HD1 LEU 345 4.201 9.321 -10.984 1064 HD12 LEU 345 2HD1 LEU 345 4.403 8.204 -12.350 1065 HD13 LEU 345 3HD1 LEU 345 5.339 7.974 -10.856 1066 HD21 LEU 345 1HD2 LEU 345 1.090 7.463 -10.651 1067 HD22 LEU 345 2HD2 LEU 345 1.791 7.618 -12.279 1068 HD23 LEU 345 3HD2 LEU 345 1.862 8.966 -11.143 1069 H VAL 346 H VAL 346 1.114 5.331 -8.174 1070 HA VAL 346 HA VAL 346 -1.206 4.886 -10.013 1071 HB VAL 346 HB VAL 346 -0.636 3.845 -7.215 1072 HG11 VAL 346 1HG1 VAL 346 -2.985 2.869 -7.324 1073 HG12 VAL 346 2HG1 VAL 346 -2.827 4.572 -6.913 1074 HG13 VAL 346 3HG1 VAL 346 -3.280 4.118 -8.567 1075 HG21 VAL 346 1HG2 VAL 346 -1.621 2.465 -9.768 1076 HG22 VAL 346 2HG2 VAL 346 0.053 2.430 -9.214 1077 HG23 VAL 346 3HG2 VAL 346 -1.201 1.665 -8.237 1078 H SER 347 H SER 347 -2.852 6.372 -9.947 1079 HA SER 347 HA SER 347 -3.370 8.114 -7.743 1080 HB2 SER 347 1HB SER 347 -3.001 10.215 -9.221 1081 HB3 SER 347 2HB SER 347 -1.635 9.476 -8.388 1082 HG SER 347 HG SER 347 -2.309 9.316 -11.120 1083 H GLU 348 H GLU 348 -5.376 9.506 -8.246 1084 HA GLU 348 HA GLU 348 -6.872 9.149 -10.602 1085 HB2 GLU 348 1HB GLU 348 -7.380 7.276 -8.339 1086 HB3 GLU 348 2HB GLU 348 -8.787 8.192 -8.805 1087 HG2 GLU 348 1HG GLU 348 -7.217 6.939 -11.039 1088 HG3 GLU 348 2HG GLU 348 -8.147 5.870 -10.006 Start of MODEL 19 1 H1 MET 1 H MET 1 7.611 -15.583 9.854 2 HA MET 1 HA MET 1 6.386 -15.606 7.174 3 HB2 MET 1 1HB MET 1 5.916 -17.726 8.374 4 HB3 MET 1 2HB MET 1 5.242 -16.807 9.726 5 HG2 MET 1 1HG MET 1 3.626 -15.777 7.969 6 HG3 MET 1 2HG MET 1 4.158 -17.072 6.900 7 HE1 MET 1 1HE MET 1 3.371 -19.570 7.125 8 HE2 MET 1 2HE MET 1 4.382 -19.648 8.592 9 HE3 MET 1 3HE MET 1 2.717 -20.260 8.615 10 H GLY 2 H GLY 2 5.782 -13.532 6.782 11 HA2 GLY 2 1HA GLY 2 3.728 -12.181 8.121 12 HA3 GLY 2 2HA GLY 2 5.272 -11.568 8.760 13 H TRP 3 H TRP 3 6.372 -9.981 7.480 14 HA TRP 3 HA TRP 3 5.149 -9.293 4.927 15 HB2 TRP 3 2HB TRP 3 7.426 -8.229 6.614 16 HB3 TRP 3 3HB TRP 3 6.959 -7.517 5.066 17 HD1 TRP 3 HD1 TRP 3 6.427 -6.991 8.628 18 HE1 TRP 3 1HE TRP 3 4.306 -5.695 9.128 19 HE3 TRP 3 3HE TRP 3 4.230 -7.339 4.070 20 HZ2 TRP 3 2HZ TRP 3 1.753 -5.209 7.801 21 HZ3 TRP 3 3HZ TRP 3 1.981 -6.392 3.652 22 HH2 TRP 3 HH2 TRP 3 0.689 -5.356 5.531 23 H MET 4 H MET 4 5.917 -9.837 2.950 24 HA MET 4 HA MET 4 7.917 -11.886 2.712 25 HB2 MET 4 1HB MET 4 6.149 -11.446 1.003 26 HB3 MET 4 2HB MET 4 6.863 -9.885 0.654 27 HG2 MET 4 1HG MET 4 7.637 -11.305 -1.049 28 HG3 MET 4 2HG MET 4 9.017 -11.133 0.014 29 HE1 MET 4 1HE MET 4 8.965 -13.391 -2.181 30 HE2 MET 4 2HE MET 4 10.272 -13.159 -0.992 31 HE3 MET 4 3HE MET 4 9.552 -14.767 -1.224 32 H PHE 5 H PHE 5 8.038 -8.340 2.132 33 HA PHE 5 HA PHE 5 10.772 -8.247 1.435 34 HB2 PHE 5 2HB PHE 5 10.690 -5.869 1.989 35 HB3 PHE 5 3HB PHE 5 9.357 -6.366 0.974 36 HD1 PHE 5 1HD PHE 5 10.299 -5.218 4.369 37 HD2 PHE 5 2HD PHE 5 7.016 -6.272 1.771 38 HE1 PHE 5 1HE PHE 5 8.712 -4.275 6.003 39 HE2 PHE 5 2HE PHE 5 5.437 -5.260 3.381 40 HZ PHE 5 HZ PHE 5 6.269 -4.273 5.511 41 H LYS 6 H LYS 6 9.280 -8.090 4.717 42 HA LYS 6 HA LYS 6 11.743 -7.492 6.055 43 HB2 LYS 6 1HB LYS 6 9.327 -7.361 6.961 44 HB3 LYS 6 2HB LYS 6 9.487 -9.099 7.277 45 HG2 LYS 6 1HG LYS 6 10.188 -8.338 9.318 46 HG3 LYS 6 2HG LYS 6 11.753 -8.208 8.505 47 HD2 LYS 6 1HD LYS 6 11.108 -5.809 7.908 48 HD3 LYS 6 2HD LYS 6 9.669 -6.026 8.933 49 HE2 LYS 6 1HE LYS 6 11.071 -6.380 10.909 50 HE3 LYS 6 2HE LYS 6 12.523 -6.504 9.924 51 HZ1 LYS 6 1HZ LYS 6 12.321 -4.129 9.411 52 HZ2 LYS 6 2HZ LYS 6 12.379 -4.380 11.017 53 HZ3 LYS 6 3HZ LYS 6 10.963 -4.005 10.310 54 H GLU 7 H GLU 7 10.308 -10.579 4.903 55 HA GLU 7 HA GLU 7 12.199 -12.167 6.373 56 HB2 GLU 7 1HB GLU 7 9.937 -12.814 5.109 57 HB3 GLU 7 2HB GLU 7 11.000 -13.048 3.731 58 HG2 GLU 7 1HG GLU 7 10.853 -15.153 4.774 59 HG3 GLU 7 2HG GLU 7 12.440 -14.543 5.276 60 H ASP 8 H ASP 8 12.112 -10.997 2.957 61 HA ASP 8 HA ASP 8 14.733 -12.048 2.381 62 HB2 ASP 8 1HB ASP 8 12.563 -10.699 0.882 63 HB3 ASP 8 2HB ASP 8 14.184 -10.369 0.283 64 H HIS 9 H HIS 9 13.780 -8.562 2.107 65 HA HIS 9 HA HIS 9 16.052 -7.742 3.715 66 HB2 HIS 9 1HB HIS 9 17.017 -6.298 1.913 67 HB3 HIS 9 2HB HIS 9 17.330 -8.017 1.754 68 HD1 HIS 9 HD1 HIS 9 14.041 -6.607 0.458 69 HD2 HIS 9 HD2 HIS 9 17.793 -7.987 -0.815 70 HE1 HIS 9 HE1 HIS 9 13.851 -6.962 -2.068 71 H SER 10 H SER 10 15.466 -5.885 4.776 72 HA SER 10 HA SER 10 13.189 -4.352 3.601 73 HB2 SER 10 1HB SER 10 12.459 -4.033 6.020 74 HB3 SER 10 2HB SER 10 12.188 -5.602 5.254 75 HG SER 10 HG SER 10 14.224 -6.255 6.286 76 H LEU 11 H LEU 11 15.447 -3.919 6.318 77 HA LEU 11 HA LEU 11 15.454 -1.203 6.451 78 HB2 LEU 11 1HB LEU 11 17.795 -3.102 6.791 79 HB3 LEU 11 2HB LEU 11 17.766 -1.465 7.402 80 HG LEU 11 HG LEU 11 15.536 -3.351 8.207 81 HD11 LEU 11 1HD1 LEU 11 17.725 -4.566 8.516 82 HD12 LEU 11 2HD1 LEU 11 16.782 -4.288 9.976 83 HD13 LEU 11 3HD1 LEU 11 18.200 -3.278 9.623 84 HD21 LEU 11 1HD2 LEU 11 15.506 -2.038 10.250 85 HD22 LEU 11 2HD2 LEU 11 15.439 -0.941 8.864 86 HD23 LEU 11 3HD2 LEU 11 16.960 -1.142 9.752 87 H GLU 12 H GLU 12 17.986 -2.947 4.587 88 HA GLU 12 HA GLU 12 19.062 -0.525 3.527 89 HB2 GLU 12 1HB GLU 12 19.400 -3.446 2.821 90 HB3 GLU 12 2HB GLU 12 20.240 -2.159 1.915 91 HG2 GLU 12 1HG GLU 12 21.330 -1.338 3.899 92 HG3 GLU 12 2HG GLU 12 20.305 -2.296 4.960 93 H HIS 13 H HIS 13 16.788 -2.851 2.078 94 HA HIS 13 HA HIS 13 16.542 -1.635 -0.458 95 HB2 HIS 13 1HB HIS 13 15.747 -3.902 0.171 96 HB3 HIS 13 2HB HIS 13 14.484 -3.190 1.159 97 HD1 HIS 13 HD1 HIS 13 15.142 -4.276 -2.427 98 HD2 HIS 13 HD2 HIS 13 12.525 -1.815 -0.211 99 HE1 HIS 13 HE1 HIS 13 13.085 -3.983 -3.840 100 H ARG 14 H ARG 14 14.891 -0.965 2.654 101 HA ARG 14 HA ARG 14 13.060 1.013 1.663 102 HB2 ARG 14 1HB ARG 14 14.098 0.118 4.362 103 HB3 ARG 14 2HB ARG 14 13.369 1.695 4.260 104 HG2 ARG 14 1HG ARG 14 11.865 -0.183 4.988 105 HG3 ARG 14 2HG ARG 14 11.235 0.872 3.721 106 HD2 ARG 14 1HD ARG 14 12.590 -1.592 2.777 107 HD3 ARG 14 2HD ARG 14 11.221 -1.873 3.864 108 HE ARG 14 HE ARG 14 10.573 0.019 1.804 109 HH11 ARG 14 1HH1 ARG 14 11.155 -3.387 2.459 110 HH12 ARG 14 2HH1 ARG 14 10.392 -3.960 0.984 111 HH21 ARG 14 1HH2 ARG 14 9.376 -0.763 -0.071 112 HH22 ARG 14 2HH2 ARG 14 9.393 -2.505 -0.390 113 H CYS 15 H CYS 15 16.396 1.287 3.091 114 HA CYS 15 HA CYS 15 16.383 4.130 3.129 115 HB2 CYS 15 2HB CYS 15 18.715 2.172 2.901 116 HB3 CYS 15 3HB CYS 15 18.880 3.906 3.202 117 HG CYS 15 HG CYS 15 19.269 2.677 5.442 118 H VAL 16 H VAL 16 17.556 1.874 0.560 119 HA VAL 16 HA VAL 16 18.527 4.020 -1.092 120 HB VAL 16 HB VAL 16 19.376 1.797 -1.298 121 HG11 VAL 16 1HG1 VAL 16 17.325 0.443 -0.968 122 HG12 VAL 16 2HG1 VAL 16 16.818 0.856 -2.616 123 HG13 VAL 16 3HG1 VAL 16 18.301 -0.066 -2.336 124 HG21 VAL 16 1HG2 VAL 16 19.531 1.652 -3.708 125 HG22 VAL 16 2HG2 VAL 16 18.030 2.574 -3.907 126 HG23 VAL 16 3HG2 VAL 16 19.476 3.364 -3.247 127 H GLU 17 H GLU 17 15.460 2.131 -1.090 128 HA GLU 17 HA GLU 17 14.387 3.577 -3.277 129 HB2 GLU 17 1HB GLU 17 13.142 1.911 -1.050 130 HB3 GLU 17 2HB GLU 17 12.166 2.667 -2.315 131 HG2 GLU 17 1HG GLU 17 14.557 0.875 -2.978 132 HG3 GLU 17 2HG GLU 17 12.927 0.281 -2.792 133 H SER 18 H SER 18 14.246 4.392 0.311 134 HA SER 18 HA SER 18 12.361 6.489 -0.166 135 HB2 SER 18 1HB SER 18 13.230 7.478 1.939 136 HB3 SER 18 2HB SER 18 12.712 5.798 2.089 137 HG SER 18 HG SER 18 14.663 6.183 3.159 138 H ALA 19 H ALA 19 15.984 6.488 -0.130 139 HA ALA 19 HA ALA 19 16.293 9.225 -0.684 140 HB1 ALA 19 1HB ALA 19 18.521 8.638 -1.508 141 HB2 ALA 19 2HB ALA 19 18.130 7.619 -0.113 142 HB3 ALA 19 3HB ALA 19 18.030 6.953 -1.749 143 H LYS 20 H LYS 20 16.148 6.567 -3.094 144 HA LYS 20 HA LYS 20 16.324 8.298 -5.368 145 HB2 LYS 20 1HB LYS 20 15.268 5.447 -5.114 146 HB3 LYS 20 2HB LYS 20 15.623 6.280 -6.638 147 HG2 LYS 20 1HG LYS 20 18.017 6.539 -5.870 148 HG3 LYS 20 2HG LYS 20 17.647 5.612 -4.445 149 HD2 LYS 20 1HD LYS 20 18.653 4.094 -5.968 150 HD3 LYS 20 2HD LYS 20 16.939 3.690 -5.901 151 HE2 LYS 20 1HE LYS 20 17.655 3.570 -8.189 152 HE3 LYS 20 2HE LYS 20 16.577 4.957 -8.033 153 HZ1 LYS 20 1HZ LYS 20 18.586 5.419 -9.351 154 HZ2 LYS 20 2HZ LYS 20 19.541 5.079 -8.079 155 HZ3 LYS 20 3HZ LYS 20 18.572 6.385 -8.007 156 H ILE 21 H ILE 21 13.430 6.822 -3.762 157 HA ILE 21 HA ILE 21 11.609 7.828 -5.747 158 HB ILE 21 HB ILE 21 11.213 6.917 -2.871 159 HG12 ILE 21 1HG1 ILE 21 10.446 5.547 -5.505 160 HG13 ILE 21 2HG1 ILE 21 11.971 5.232 -4.694 161 HG21 ILE 21 1HG2 ILE 21 8.806 6.828 -3.319 162 HG22 ILE 21 2HG2 ILE 21 9.388 8.462 -3.445 163 HG23 ILE 21 3HG2 ILE 21 9.078 7.563 -4.929 164 HD11 ILE 21 1HD1 ILE 21 9.221 4.675 -3.545 165 HD12 ILE 21 2HD1 ILE 21 10.416 3.505 -4.104 166 HD13 ILE 21 3HD1 ILE 21 10.738 4.485 -2.654 167 H ARG 22 H ARG 22 12.761 9.152 -2.577 168 HA ARG 22 HA ARG 22 10.946 11.366 -2.649 169 HB2 ARG 22 1HB ARG 22 13.613 10.996 -1.218 170 HB3 ARG 22 2HB ARG 22 12.563 12.384 -0.972 171 HG2 ARG 22 1HG ARG 22 11.505 9.559 -0.570 172 HG3 ARG 22 2HG ARG 22 12.404 10.379 0.701 173 HD2 ARG 22 1HD ARG 22 9.951 11.609 -0.623 174 HD3 ARG 22 2HD ARG 22 9.844 10.505 0.741 175 HE ARG 22 HE ARG 22 10.984 13.224 0.754 176 HH11 ARG 22 1HH1 ARG 22 10.340 10.279 2.714 177 HH12 ARG 22 2HH1 ARG 22 10.635 11.101 4.199 178 HH21 ARG 22 1HH2 ARG 22 11.280 14.238 2.684 179 HH22 ARG 22 2HH2 ARG 22 10.894 13.454 4.192 180 H ALA 23 H ALA 23 14.274 10.899 -3.929 181 HA ALA 23 HA ALA 23 14.591 13.616 -4.660 182 HB1 ALA 23 1HB ALA 23 16.310 12.744 -6.253 183 HB2 ALA 23 2HB ALA 23 16.474 12.062 -4.624 184 HB3 ALA 23 3HB ALA 23 15.741 11.091 -5.920 185 H LYS 24 H LYS 24 13.315 10.820 -6.584 186 HA LYS 24 HA LYS 24 12.740 12.517 -8.885 187 HB2 LYS 24 1HB LYS 24 11.894 9.698 -8.126 188 HB3 LYS 24 2HB LYS 24 11.434 10.495 -9.641 189 HG2 LYS 24 1HG LYS 24 13.856 10.768 -10.203 190 HG3 LYS 24 2HG LYS 24 14.264 9.810 -8.758 191 HD2 LYS 24 1HD LYS 24 12.857 7.940 -9.624 192 HD3 LYS 24 2HD LYS 24 12.466 8.912 -11.064 193 HE2 LYS 24 1HE LYS 24 14.865 9.036 -11.615 194 HE3 LYS 24 2HE LYS 24 15.247 8.003 -10.237 195 HZ1 LYS 24 1HZ LYS 24 15.114 6.689 -12.210 196 HZ2 LYS 24 2HZ LYS 24 13.554 7.162 -12.533 197 HZ3 LYS 24 3HZ LYS 24 13.878 6.270 -11.220 198 H TYR 25 H TYR 25 10.605 11.005 -6.421 199 HA TYR 25 HA TYR 25 8.348 12.734 -7.270 200 HB2 TYR 25 2HB TYR 25 8.065 9.962 -6.108 201 HB3 TYR 25 3HB TYR 25 6.919 10.884 -7.064 202 HD1 TYR 25 1HD TYR 25 9.560 8.416 -7.036 203 HD2 TYR 25 2HD TYR 25 7.441 11.141 -9.619 204 HE1 TYR 25 1HE TYR 25 10.412 7.196 -9.010 205 HE2 TYR 25 2HE TYR 25 8.347 9.971 -11.604 206 HH TYR 25 HH TYR 25 10.051 8.373 -12.338 207 HA PRO 26 HA PRO 26 9.474 13.405 -2.770 208 HB2 PRO 26 2HB PRO 26 9.312 16.158 -2.717 209 HB3 PRO 26 3HB PRO 26 10.784 15.251 -3.165 210 HG2 PRO 26 2HG PRO 26 8.705 16.465 -4.991 211 HG3 PRO 26 3HG PRO 26 10.493 16.549 -5.125 212 HD2 PRO 26 2HD PRO 26 8.967 14.753 -6.544 213 HD3 PRO 26 3HD PRO 26 10.621 14.340 -5.955 214 H ASP 27 H ASP 27 6.800 14.372 -4.836 215 HA ASP 27 HA ASP 27 5.073 14.976 -2.492 216 HB2 ASP 27 1HB ASP 27 4.643 15.223 -5.482 217 HB3 ASP 27 2HB ASP 27 3.417 15.600 -4.266 218 H ARG 28 H ARG 28 6.142 12.153 -3.661 219 HA ARG 28 HA ARG 28 3.444 10.859 -3.446 220 HB2 ARG 28 1HB ARG 28 5.835 10.007 -5.131 221 HB3 ARG 28 2HB ARG 28 4.501 8.937 -4.702 222 HG2 ARG 28 1HG ARG 28 2.911 10.578 -5.735 223 HG3 ARG 28 2HG ARG 28 4.282 11.471 -6.384 224 HD2 ARG 28 1HD ARG 28 4.852 9.660 -7.835 225 HD3 ARG 28 2HD ARG 28 3.921 8.495 -6.884 226 HE ARG 28 HE ARG 28 2.005 8.999 -7.999 227 HH11 ARG 28 1HH1 ARG 28 4.339 11.652 -8.778 228 HH12 ARG 28 2HH1 ARG 28 3.348 12.220 -10.057 229 HH21 ARG 28 1HH2 ARG 28 0.761 9.859 -9.844 230 HH22 ARG 28 2HH2 ARG 28 1.432 11.132 -10.742 231 H VAL 29 H VAL 29 3.389 8.814 -2.296 232 HA VAL 29 HA VAL 29 5.625 8.516 -0.382 233 HB VAL 29 HB VAL 29 3.968 7.940 1.358 234 HG11 VAL 29 1HG1 VAL 29 4.979 10.190 1.224 235 HG12 VAL 29 2HG1 VAL 29 3.669 10.737 0.152 236 HG13 VAL 29 3HG1 VAL 29 3.319 10.276 1.815 237 HG21 VAL 29 1HG2 VAL 29 1.638 8.634 1.132 238 HG22 VAL 29 2HG2 VAL 29 1.881 9.062 -0.563 239 HG23 VAL 29 3HG2 VAL 29 2.008 7.363 -0.031 240 HA PRO 30 HA PRO 30 5.534 4.396 -2.060 241 HB2 PRO 30 2HB PRO 30 7.543 3.273 -0.669 242 HB3 PRO 30 3HB PRO 30 7.826 4.689 -1.709 243 HG2 PRO 30 2HG PRO 30 7.445 4.669 1.300 244 HG3 PRO 30 3HG PRO 30 8.708 5.496 0.343 245 HD2 PRO 30 2HD PRO 30 6.348 6.710 1.173 246 HD3 PRO 30 3HD PRO 30 7.277 7.184 -0.278 247 H VAL 31 H VAL 31 3.944 2.958 -1.751 248 HA VAL 31 HA VAL 31 3.310 1.949 0.953 249 HB VAL 31 HB VAL 31 1.518 2.400 -1.465 250 HG11 VAL 31 1HG1 VAL 31 -0.294 1.967 0.303 251 HG12 VAL 31 2HG1 VAL 31 0.682 0.555 -0.077 252 HG13 VAL 31 3HG1 VAL 31 0.992 1.471 1.408 253 HG21 VAL 31 1HG2 VAL 31 2.137 4.562 -0.606 254 HG22 VAL 31 2HG2 VAL 31 0.491 4.213 -0.121 255 HG23 VAL 31 3HG2 VAL 31 1.798 4.069 1.057 256 H ILE 32 H ILE 32 3.035 -0.278 1.223 257 HA ILE 32 HA ILE 32 3.588 -2.096 -1.091 258 HB ILE 32 HB ILE 32 4.311 -2.456 1.850 259 HG12 ILE 32 1HG1 ILE 32 5.919 -1.057 0.705 260 HG13 ILE 32 2HG1 ILE 32 6.631 -2.600 1.113 261 HG21 ILE 32 1HG2 ILE 32 3.602 -4.612 1.092 262 HG22 ILE 32 2HG2 ILE 32 4.432 -4.429 -0.465 263 HG23 ILE 32 3HG2 ILE 32 5.361 -4.631 1.025 264 HD11 ILE 32 1HD1 ILE 32 7.307 -1.780 -1.147 265 HD12 ILE 32 2HD1 ILE 32 6.481 -3.343 -1.222 266 HD13 ILE 32 3HD1 ILE 32 5.631 -1.851 -1.676 267 H VAL 33 H VAL 33 2.037 -3.773 -1.410 268 HA VAL 33 HA VAL 33 -0.191 -3.819 0.533 269 HB VAL 33 HB VAL 33 -0.521 -3.687 -2.472 270 HG11 VAL 33 1HG1 VAL 33 -2.568 -3.767 -0.215 271 HG12 VAL 33 2HG1 VAL 33 -2.938 -3.477 -1.936 272 HG13 VAL 33 3HG1 VAL 33 -2.261 -5.024 -1.436 273 HG21 VAL 33 1HG2 VAL 33 -1.073 -1.581 -0.349 274 HG22 VAL 33 2HG2 VAL 33 0.085 -1.464 -1.694 275 HG23 VAL 33 3HG2 VAL 33 -1.647 -1.498 -2.033 276 H GLU 34 H GLU 34 -0.145 -5.838 1.406 277 HA GLU 34 HA GLU 34 0.381 -8.162 -0.425 278 HB2 GLU 34 1HB GLU 34 0.997 -7.944 2.535 279 HB3 GLU 34 2HB GLU 34 0.985 -9.444 1.611 280 HG2 GLU 34 1HG GLU 34 2.727 -8.531 0.085 281 HG3 GLU 34 2HG GLU 34 2.838 -7.081 1.092 282 H LYS 35 H LYS 35 -1.056 -10.003 -0.239 283 HA LYS 35 HA LYS 35 -3.712 -9.137 0.669 284 HB2 LYS 35 1HB LYS 35 -4.636 -10.844 -0.586 285 HB3 LYS 35 2HB LYS 35 -3.330 -10.212 -1.546 286 HG2 LYS 35 1HG LYS 35 -3.218 -12.427 -1.962 287 HG3 LYS 35 2HG LYS 35 -1.972 -12.277 -0.724 288 HD2 LYS 35 1HD LYS 35 -3.259 -13.379 0.883 289 HD3 LYS 35 2HD LYS 35 -4.806 -13.005 0.103 290 HE2 LYS 35 1HE LYS 35 -2.717 -14.873 -1.082 291 HE3 LYS 35 2HE LYS 35 -4.025 -15.414 -0.028 292 HZ1 LYS 35 1HZ LYS 35 -5.618 -14.602 -1.608 293 HZ2 LYS 35 2HZ LYS 35 -4.625 -15.717 -2.251 294 HZ3 LYS 35 3HZ LYS 35 -4.430 -14.121 -2.657 295 H VAL 36 H VAL 36 -4.917 -10.065 2.316 296 HA VAL 36 HA VAL 36 -3.464 -11.036 4.557 297 HB VAL 36 HB VAL 36 -6.426 -10.932 3.898 298 HG11 VAL 36 1HG1 VAL 36 -6.884 -11.298 6.311 299 HG12 VAL 36 2HG1 VAL 36 -6.169 -12.721 5.563 300 HG13 VAL 36 3HG1 VAL 36 -5.161 -11.670 6.578 301 HG21 VAL 36 1HG2 VAL 36 -6.427 -9.041 5.486 302 HG22 VAL 36 2HG2 VAL 36 -4.703 -9.297 5.829 303 HG23 VAL 36 3HG2 VAL 36 -5.222 -8.743 4.230 304 H SER 37 H SER 37 -2.851 -12.998 5.085 305 HA SER 37 HA SER 37 -2.733 -15.135 3.352 306 HB2 SER 37 1HB SER 37 -1.625 -14.480 5.714 307 HB3 SER 37 2HB SER 37 -2.816 -15.624 6.333 308 HG SER 37 HG SER 37 -1.618 -17.166 5.627 309 H GLY 38 H GLY 38 -4.143 -16.751 2.743 310 HA2 GLY 38 1HA GLY 38 -5.852 -18.298 2.943 311 HA3 GLY 38 2HA GLY 38 -6.433 -17.515 4.411 312 H SER 39 H SER 39 -6.346 -14.798 2.736 313 HA SER 39 HA SER 39 -9.124 -14.889 2.035 314 HB2 SER 39 1HB SER 39 -7.494 -12.901 2.737 315 HB3 SER 39 2HB SER 39 -7.230 -12.756 0.997 316 HG SER 39 HG SER 39 -9.723 -12.767 1.017 317 H GLN 40 H GLN 40 -9.763 -16.144 0.342 318 HA GLN 40 HA GLN 40 -8.077 -17.063 -1.760 319 HB2 GLN 40 1HB GLN 40 -11.111 -17.176 -1.548 320 HB3 GLN 40 2HB GLN 40 -10.109 -18.093 -2.646 321 HG2 GLN 40 1HG GLN 40 -10.072 -19.727 -1.150 322 HG3 GLN 40 2HG GLN 40 -8.972 -18.753 -0.185 323 HE21 GLN 40 1HE2 GLN 40 -11.392 -18.470 2.447 324 HE22 GLN 40 2HE2 GLN 40 -9.731 -18.198 1.937 325 H ILE 41 H ILE 41 -9.187 -13.962 -1.565 326 HA ILE 41 HA ILE 41 -10.168 -13.560 -4.250 327 HB ILE 41 HB ILE 41 -10.794 -12.073 -2.414 328 HG12 ILE 41 1HG1 ILE 41 -10.356 -9.857 -3.287 329 HG13 ILE 41 2HG1 ILE 41 -9.084 -10.441 -4.334 330 HG21 ILE 41 1HG2 ILE 41 -7.857 -11.287 -2.263 331 HG22 ILE 41 2HG2 ILE 41 -9.177 -10.526 -1.362 332 HG23 ILE 41 3HG2 ILE 41 -8.733 -12.199 -1.032 333 HD11 ILE 41 1HD1 ILE 41 -10.844 -11.829 -5.547 334 HD12 ILE 41 2HD1 ILE 41 -12.046 -11.117 -4.443 335 HD13 ILE 41 3HD1 ILE 41 -11.155 -10.088 -5.579 336 H VAL 42 H VAL 42 -8.979 -12.122 -5.807 337 HA VAL 42 HA VAL 42 -6.644 -13.304 -6.711 338 HB VAL 42 HB VAL 42 -6.514 -11.416 -8.285 339 HG11 VAL 42 1HG1 VAL 42 -8.091 -13.283 -8.707 340 HG12 VAL 42 2HG1 VAL 42 -9.386 -12.372 -7.899 341 HG13 VAL 42 3HG1 VAL 42 -8.660 -11.751 -9.390 342 HG21 VAL 42 1HG2 VAL 42 -7.202 -9.524 -6.863 343 HG22 VAL 42 2HG2 VAL 42 -8.198 -9.635 -8.318 344 HG23 VAL 42 3HG2 VAL 42 -8.852 -10.174 -6.760 345 H ASP 43 H ASP 43 -4.566 -13.038 -6.398 346 HA ASP 43 HA ASP 43 -3.577 -11.369 -4.179 347 HB2 ASP 43 1HB ASP 43 -2.987 -13.773 -4.419 348 HB3 ASP 43 2HB ASP 43 -2.278 -13.435 -5.998 349 H ILE 44 H ILE 44 -1.511 -10.145 -4.609 350 HA ILE 44 HA ILE 44 -1.379 -8.982 -7.343 351 HB ILE 44 HB ILE 44 -2.651 -7.531 -5.813 352 HG12 ILE 44 1HG1 ILE 44 0.011 -6.263 -6.559 353 HG13 ILE 44 2HG1 ILE 44 -1.209 -6.729 -7.749 354 HG21 ILE 44 1HG2 ILE 44 -1.346 -8.142 -3.703 355 HG22 ILE 44 2HG2 ILE 44 -0.075 -7.046 -4.268 356 HG23 ILE 44 3HG2 ILE 44 -1.704 -6.429 -3.907 357 HD11 ILE 44 1HD1 ILE 44 -1.387 -4.343 -7.134 358 HD12 ILE 44 2HD1 ILE 44 -2.868 -5.249 -6.754 359 HD13 ILE 44 3HD1 ILE 44 -1.749 -4.791 -5.460 360 H ASP 45 H ASP 45 0.680 -8.807 -8.142 361 HA ASP 45 HA ASP 45 2.734 -10.371 -6.922 362 HB2 ASP 45 1HB ASP 45 2.956 -8.296 -9.139 363 HB3 ASP 45 2HB ASP 45 4.118 -9.567 -8.744 364 H LYS 46 H LYS 46 4.925 -9.577 -6.491 365 HA LYS 46 HA LYS 46 4.841 -7.538 -4.430 366 HB2 LYS 46 1HB LYS 46 7.042 -9.216 -5.681 367 HB3 LYS 46 2HB LYS 46 7.358 -7.988 -4.450 368 HG2 LYS 46 1HG LYS 46 7.120 -9.779 -3.059 369 HG3 LYS 46 2HG LYS 46 5.481 -9.218 -3.098 370 HD2 LYS 46 1HD LYS 46 4.825 -10.995 -4.640 371 HD3 LYS 46 2HD LYS 46 6.526 -11.410 -4.952 372 HE2 LYS 46 1HE LYS 46 6.789 -12.047 -2.562 373 HE3 LYS 46 2HE LYS 46 5.054 -11.749 -2.309 374 HZ1 LYS 46 1HZ LYS 46 5.543 -14.074 -2.728 375 HZ2 LYS 46 2HZ LYS 46 6.243 -13.731 -4.164 376 HZ3 LYS 46 3HZ LYS 46 4.612 -13.469 -3.928 377 H ARG 47 H ARG 47 4.483 -5.538 -5.090 378 HA ARG 47 HA ARG 47 6.291 -4.258 -7.016 379 HB2 ARG 47 1HB ARG 47 3.255 -4.118 -6.938 380 HB3 ARG 47 2HB ARG 47 4.278 -3.002 -7.855 381 HG2 ARG 47 1HG ARG 47 4.030 -6.015 -8.304 382 HG3 ARG 47 2HG ARG 47 3.423 -4.709 -9.326 383 HD2 ARG 47 1HD ARG 47 5.721 -3.900 -9.674 384 HD3 ARG 47 2HD ARG 47 6.358 -5.306 -8.841 385 HE ARG 47 HE ARG 47 5.106 -5.165 -11.445 386 HH11 ARG 47 1HH1 ARG 47 6.323 -7.371 -8.865 387 HH12 ARG 47 2HH1 ARG 47 6.169 -8.784 -9.880 388 HH21 ARG 47 1HH2 ARG 47 4.979 -7.147 -12.729 389 HH22 ARG 47 2HH2 ARG 47 5.477 -8.655 -12.047 390 H LYS 48 H LYS 48 6.346 -1.946 -6.629 391 HA LYS 48 HA LYS 48 5.767 -1.250 -3.786 392 HB2 LYS 48 1HB LYS 48 7.739 0.307 -5.444 393 HB3 LYS 48 2HB LYS 48 7.646 -0.006 -3.718 394 HG2 LYS 48 1HG LYS 48 8.387 -2.344 -4.109 395 HG3 LYS 48 2HG LYS 48 8.526 -1.959 -5.831 396 HD2 LYS 48 1HD LYS 48 10.717 -1.883 -4.783 397 HD3 LYS 48 2HD LYS 48 10.273 -0.285 -5.341 398 HE2 LYS 48 1HE LYS 48 9.586 -1.108 -2.511 399 HE3 LYS 48 2HE LYS 48 11.279 -0.802 -2.926 400 HZ1 LYS 48 1HZ LYS 48 10.744 1.348 -3.651 401 HZ2 LYS 48 2HZ LYS 48 10.175 1.177 -2.091 402 HZ3 LYS 48 3HZ LYS 48 9.143 1.200 -3.366 403 H TYR 49 H TYR 49 3.741 -0.284 -3.884 404 HA TYR 49 HA TYR 49 2.991 1.270 -6.297 405 HB2 TYR 49 2HB TYR 49 1.637 0.076 -3.880 406 HB3 TYR 49 3HB TYR 49 0.914 1.491 -4.592 407 HD1 TYR 49 1HD TYR 49 2.393 -1.783 -5.811 408 HD2 TYR 49 2HD TYR 49 -0.688 1.214 -6.235 409 HE1 TYR 49 1HE TYR 49 1.396 -3.062 -7.696 410 HE2 TYR 49 2HE TYR 49 -1.710 -0.104 -8.072 411 HH TYR 49 HH TYR 49 -0.443 -3.256 -9.158 412 H LEU 50 H LEU 50 2.757 3.512 -6.306 413 HA LEU 50 HA LEU 50 3.619 4.980 -3.844 414 HB2 LEU 50 1HB LEU 50 4.422 5.687 -6.693 415 HB3 LEU 50 2HB LEU 50 4.774 6.584 -5.226 416 HG LEU 50 HG LEU 50 5.973 4.306 -4.492 417 HD11 LEU 50 1HD1 LEU 50 6.310 4.202 -7.510 418 HD12 LEU 50 2HD1 LEU 50 5.253 3.123 -6.626 419 HD13 LEU 50 3HD1 LEU 50 6.970 3.083 -6.277 420 HD21 LEU 50 1HD2 LEU 50 7.036 6.487 -4.745 421 HD22 LEU 50 2HD2 LEU 50 7.119 6.287 -6.503 422 HD23 LEU 50 3HD2 LEU 50 8.062 5.215 -5.453 423 H VAL 51 H VAL 51 2.079 6.453 -3.248 424 HA VAL 51 HA VAL 51 0.153 7.366 -5.328 425 HB VAL 51 HB VAL 51 -1.333 7.784 -3.379 426 HG11 VAL 51 1HG1 VAL 51 -0.683 4.869 -3.519 427 HG12 VAL 51 2HG1 VAL 51 -2.251 5.665 -3.345 428 HG13 VAL 51 3HG1 VAL 51 -1.422 5.745 -4.906 429 HG21 VAL 51 1HG2 VAL 51 0.725 6.155 -1.826 430 HG22 VAL 51 2HG2 VAL 51 0.065 7.764 -1.448 431 HG23 VAL 51 3HG2 VAL 51 -0.954 6.326 -1.336 432 HA PRO 52 HA PRO 52 1.664 11.489 -4.427 433 HB2 PRO 52 2HB PRO 52 -0.375 13.061 -5.308 434 HB3 PRO 52 3HB PRO 52 0.713 12.175 -6.424 435 HG2 PRO 52 2HG PRO 52 -2.053 11.354 -5.510 436 HG3 PRO 52 3HG PRO 52 -1.413 11.370 -7.120 437 HD2 PRO 52 2HD PRO 52 -1.463 9.103 -5.545 438 HD3 PRO 52 3HD PRO 52 -0.133 9.404 -6.701 439 H SER 53 H SER 53 1.586 12.769 -2.738 440 HA SER 53 HA SER 53 0.294 12.146 -0.356 441 HB2 SER 53 1HB SER 53 2.480 13.308 -0.757 442 HB3 SER 53 2HB SER 53 1.583 14.745 -1.283 443 HG SER 53 HG SER 53 2.339 14.748 0.947 444 H ASP 54 H ASP 54 -1.086 13.895 -3.039 445 HA ASP 54 HA ASP 54 -2.800 15.535 -1.305 446 HB2 ASP 54 1HB ASP 54 -1.642 16.361 -3.432 447 HB3 ASP 54 2HB ASP 54 -2.872 15.458 -4.316 448 H ILE 55 H ILE 55 -3.184 12.527 -3.222 449 HA ILE 55 HA ILE 55 -6.084 12.827 -3.274 450 HB ILE 55 HB ILE 55 -6.159 10.446 -3.870 451 HG12 ILE 55 1HG1 ILE 55 -3.376 9.907 -4.399 452 HG13 ILE 55 2HG1 ILE 55 -3.512 10.361 -2.719 453 HG21 ILE 55 1HG2 ILE 55 -5.938 12.138 -5.590 454 HG22 ILE 55 2HG2 ILE 55 -4.179 12.036 -5.498 455 HG23 ILE 55 3HG2 ILE 55 -5.120 10.639 -6.059 456 HD11 ILE 55 1HD1 ILE 55 -3.779 7.924 -3.037 457 HD12 ILE 55 2HD1 ILE 55 -5.195 8.672 -2.290 458 HD13 ILE 55 3HD1 ILE 55 -5.243 8.218 -4.007 459 H THR 56 H THR 56 -7.508 11.115 -2.190 460 HA THR 56 HA THR 56 -6.719 10.887 0.667 461 HB THR 56 HB THR 56 -9.195 10.816 1.081 462 HG1 THR 56 1HG THR 56 -9.280 11.660 -1.636 463 HG21 THR 56 1HG2 THR 56 -9.548 13.223 0.818 464 HG22 THR 56 2HG2 THR 56 -8.173 13.342 -0.302 465 HG23 THR 56 3HG2 THR 56 -7.922 12.905 1.401 466 H VAL 57 H VAL 57 -7.506 9.054 1.877 467 HA VAL 57 HA VAL 57 -6.679 6.577 0.927 468 HB VAL 57 HB VAL 57 -8.662 7.231 3.109 469 HG11 VAL 57 1HG1 VAL 57 -8.742 4.802 2.539 470 HG12 VAL 57 2HG1 VAL 57 -6.982 4.716 2.748 471 HG13 VAL 57 3HG1 VAL 57 -8.047 5.095 4.130 472 HG21 VAL 57 1HG2 VAL 57 -5.686 6.728 3.261 473 HG22 VAL 57 2HG2 VAL 57 -6.443 8.316 3.423 474 HG23 VAL 57 3HG2 VAL 57 -6.768 7.082 4.627 475 H ALA 58 H ALA 58 -9.989 7.939 0.720 476 HA ALA 58 HA ALA 58 -11.328 5.608 -0.166 477 HB1 ALA 58 1HB ALA 58 -11.869 8.524 -0.926 478 HB2 ALA 58 2HB ALA 58 -13.019 7.175 -1.043 479 HB3 ALA 58 3HB ALA 58 -12.455 7.732 0.541 480 H GLN 59 H GLN 59 -9.695 8.214 -2.090 481 HA GLN 59 HA GLN 59 -10.308 7.146 -4.629 482 HB2 GLN 59 1HB GLN 59 -7.984 8.912 -3.751 483 HB3 GLN 59 2HB GLN 59 -8.595 8.721 -5.401 484 HG2 GLN 59 1HG GLN 59 -10.795 9.630 -4.707 485 HG3 GLN 59 2HG GLN 59 -10.230 9.827 -3.055 486 HE21 GLN 59 1HE2 GLN 59 -9.285 12.634 -5.854 487 HE22 GLN 59 2HE2 GLN 59 -10.252 11.179 -6.147 488 H PHE 60 H PHE 60 -7.491 6.704 -2.433 489 HA PHE 60 HA PHE 60 -5.943 5.161 -4.235 490 HB2 PHE 60 2HB PHE 60 -5.224 6.121 -2.020 491 HB3 PHE 60 3HB PHE 60 -6.094 4.830 -1.216 492 HD1 PHE 60 1HD PHE 60 -3.726 4.835 -0.171 493 HD2 PHE 60 2HD PHE 60 -4.490 3.443 -4.197 494 HE1 PHE 60 1HE PHE 60 -1.627 3.618 -0.152 495 HE2 PHE 60 2HE PHE 60 -2.399 2.166 -4.145 496 HZ PHE 60 HZ PHE 60 -0.924 2.242 -2.143 497 H MET 61 H MET 61 -8.400 4.166 -1.827 498 HA MET 61 HA MET 61 -8.302 1.387 -2.296 499 HB2 MET 61 1HB MET 61 -9.423 2.739 -0.414 500 HB3 MET 61 2HB MET 61 -10.796 2.963 -1.512 501 HG2 MET 61 1HG MET 61 -11.022 0.500 -1.693 502 HG3 MET 61 2HG MET 61 -9.592 0.310 -0.675 503 HE1 MET 61 1HE MET 61 -13.204 1.774 -0.816 504 HE2 MET 61 2HE MET 61 -13.229 -0.002 -0.688 505 HE3 MET 61 3HE MET 61 -13.860 0.990 0.640 506 H TRP 62 H TRP 62 -10.239 3.950 -3.911 507 HA TRP 62 HA TRP 62 -11.807 2.237 -5.559 508 HB2 TRP 62 2HB TRP 62 -11.083 5.140 -5.552 509 HB3 TRP 62 3HB TRP 62 -11.621 4.451 -7.062 510 HD1 TRP 62 HD1 TRP 62 -12.966 4.633 -3.426 511 HE1 TRP 62 1HE TRP 62 -15.499 5.068 -3.545 512 HE3 TRP 62 3HE TRP 62 -13.605 4.426 -8.500 513 HZ2 TRP 62 2HZ TRP 62 -17.565 5.059 -5.560 514 HZ3 TRP 62 3HZ TRP 62 -15.864 4.637 -9.484 515 HH2 TRP 62 HH2 TRP 62 -17.842 4.976 -8.026 516 H ILE 63 H ILE 63 -8.535 3.676 -6.040 517 HA ILE 63 HA ILE 63 -8.293 2.745 -8.740 518 HB ILE 63 HB ILE 63 -6.066 3.328 -6.747 519 HG12 ILE 63 1HG1 ILE 63 -6.880 5.204 -8.976 520 HG13 ILE 63 2HG1 ILE 63 -7.753 5.276 -7.455 521 HG21 ILE 63 1HG2 ILE 63 -5.099 2.102 -8.545 522 HG22 ILE 63 2HG2 ILE 63 -6.143 2.896 -9.761 523 HG23 ILE 63 3HG2 ILE 63 -4.837 3.788 -9.005 524 HD11 ILE 63 1HD1 ILE 63 -6.025 6.866 -7.209 525 HD12 ILE 63 2HD1 ILE 63 -5.430 5.471 -6.316 526 HD13 ILE 63 3HD1 ILE 63 -4.814 5.815 -7.945 527 H ILE 64 H ILE 64 -7.093 1.338 -5.608 528 HA ILE 64 HA ILE 64 -5.899 -0.954 -6.721 529 HB ILE 64 HB ILE 64 -7.254 -0.562 -4.038 530 HG12 ILE 64 1HG1 ILE 64 -4.271 -0.622 -4.667 531 HG13 ILE 64 2HG1 ILE 64 -5.201 0.868 -4.642 532 HG21 ILE 64 1HG2 ILE 64 -7.119 -2.997 -4.509 533 HG22 ILE 64 2HG2 ILE 64 -5.402 -2.830 -4.926 534 HG23 ILE 64 3HG2 ILE 64 -5.968 -2.569 -3.262 535 HD11 ILE 64 1HD1 ILE 64 -5.851 0.451 -2.276 536 HD12 ILE 64 2HD1 ILE 64 -4.812 -0.995 -2.263 537 HD13 ILE 64 3HD1 ILE 64 -4.099 0.594 -2.504 538 H ARG 65 H ARG 65 -9.336 -0.627 -5.561 539 HA ARG 65 HA ARG 65 -9.985 -3.288 -6.366 540 HB2 ARG 65 1HB ARG 65 -12.283 -2.742 -6.099 541 HB3 ARG 65 2HB ARG 65 -11.350 -1.977 -4.805 542 HG2 ARG 65 1HG ARG 65 -11.436 0.157 -6.020 543 HG3 ARG 65 2HG ARG 65 -12.481 -0.570 -7.256 544 HD2 ARG 65 1HD ARG 65 -13.060 -0.359 -4.274 545 HD3 ARG 65 2HD ARG 65 -13.746 0.699 -5.510 546 HE ARG 65 HE ARG 65 -14.403 -1.785 -6.430 547 HH11 ARG 65 1HH1 ARG 65 -14.980 0.016 -3.434 548 HH12 ARG 65 2HH1 ARG 65 -16.253 -0.980 -2.855 549 HH21 ARG 65 1HH2 ARG 65 -16.393 -2.973 -5.834 550 HH22 ARG 65 2HH2 ARG 65 -17.062 -2.722 -4.274 551 H LYS 66 H LYS 66 -10.034 -0.280 -8.282 552 HA LYS 66 HA LYS 66 -11.256 -1.535 -10.575 553 HB2 LYS 66 1HB LYS 66 -9.645 1.025 -10.231 554 HB3 LYS 66 2HB LYS 66 -10.122 0.437 -11.831 555 HG2 LYS 66 1HG LYS 66 -12.482 0.400 -11.180 556 HG3 LYS 66 2HG LYS 66 -12.063 0.936 -9.555 557 HD2 LYS 66 1HD LYS 66 -12.914 2.818 -10.738 558 HD3 LYS 66 2HD LYS 66 -11.179 3.073 -10.518 559 HE2 LYS 66 1HE LYS 66 -10.747 2.457 -12.851 560 HE3 LYS 66 2HE LYS 66 -12.430 1.946 -13.066 561 HZ1 LYS 66 1HZ LYS 66 -13.109 4.231 -12.731 562 HZ2 LYS 66 2HZ LYS 66 -12.082 4.114 -14.001 563 HZ3 LYS 66 3HZ LYS 66 -11.521 4.729 -12.613 564 H ARG 67 H ARG 67 -7.904 -1.158 -9.496 565 HA ARG 67 HA ARG 67 -6.619 -2.096 -11.873 566 HB2 ARG 67 1HB ARG 67 -5.873 -1.554 -9.037 567 HB3 ARG 67 2HB ARG 67 -5.033 -2.933 -9.693 568 HG2 ARG 67 1HG ARG 67 -3.723 -0.915 -9.970 569 HG3 ARG 67 2HG ARG 67 -4.143 -1.611 -11.542 570 HD2 ARG 67 1HD ARG 67 -6.002 0.014 -11.760 571 HD3 ARG 67 2HD ARG 67 -5.596 0.687 -10.185 572 HE ARG 67 HE ARG 67 -3.240 0.916 -11.538 573 HH11 ARG 67 1HH1 ARG 67 -6.523 1.691 -12.602 574 HH12 ARG 67 2HH1 ARG 67 -6.075 3.044 -13.562 575 HH21 ARG 67 1HH2 ARG 67 -2.590 2.706 -12.848 576 HH22 ARG 67 2HH2 ARG 67 -3.771 3.697 -13.626 577 H ILE 68 H ILE 68 -7.577 -3.864 -8.878 578 HA ILE 68 HA ILE 68 -6.886 -6.374 -10.251 579 HB ILE 68 HB ILE 68 -7.221 -7.471 -8.223 580 HG12 ILE 68 1HG1 ILE 68 -8.600 -4.956 -7.206 581 HG13 ILE 68 2HG1 ILE 68 -9.307 -6.566 -7.458 582 HG21 ILE 68 1HG2 ILE 68 -5.167 -6.036 -8.529 583 HG22 ILE 68 2HG2 ILE 68 -5.928 -4.811 -7.489 584 HG23 ILE 68 3HG2 ILE 68 -5.555 -6.423 -6.856 585 HD11 ILE 68 1HD1 ILE 68 -7.304 -5.780 -5.318 586 HD12 ILE 68 2HD1 ILE 68 -8.952 -6.401 -5.130 587 HD13 ILE 68 3HD1 ILE 68 -7.688 -7.473 -5.726 588 H GLN 69 H GLN 69 -9.406 -4.443 -10.736 589 HA GLN 69 HA GLN 69 -11.542 -4.568 -11.360 590 HB2 GLN 69 1HB GLN 69 -10.533 -7.126 -12.664 591 HB3 GLN 69 2HB GLN 69 -12.046 -6.296 -13.057 592 HG2 GLN 69 1HG GLN 69 -10.726 -4.233 -13.588 593 HG3 GLN 69 2HG GLN 69 -9.239 -5.160 -13.383 594 HE21 GLN 69 1HE2 GLN 69 -9.637 -7.016 -16.439 595 HE22 GLN 69 2HE2 GLN 69 -8.913 -7.001 -14.845 596 H LEU 70 H LEU 70 -11.860 -4.871 -8.969 597 HA LEU 70 HA LEU 70 -12.666 -7.391 -7.932 598 HB2 LEU 70 1HB LEU 70 -11.773 -5.329 -6.715 599 HB3 LEU 70 2HB LEU 70 -13.398 -4.673 -6.814 600 HG LEU 70 HG LEU 70 -13.031 -5.661 -4.642 601 HD11 LEU 70 1HD1 LEU 70 -15.295 -5.980 -5.666 602 HD12 LEU 70 2HD1 LEU 70 -14.829 -7.017 -4.316 603 HD13 LEU 70 3HD1 LEU 70 -14.789 -7.666 -5.959 604 HD21 LEU 70 1HD2 LEU 70 -12.457 -8.321 -5.986 605 HD22 LEU 70 2HD2 LEU 70 -12.439 -7.966 -4.250 606 HD23 LEU 70 3HD2 LEU 70 -11.217 -7.250 -5.306 607 HA PRO 71 HA PRO 71 -16.816 -7.035 -9.926 608 HB2 PRO 71 2HB PRO 71 -17.633 -9.622 -9.559 609 HB3 PRO 71 3HB PRO 71 -16.402 -9.207 -10.785 610 HG2 PRO 71 2HG PRO 71 -15.920 -10.192 -7.958 611 HG3 PRO 71 3HG PRO 71 -15.213 -10.837 -9.476 612 HD2 PRO 71 2HD PRO 71 -13.926 -9.075 -7.840 613 HD3 PRO 71 3HD PRO 71 -13.778 -9.014 -9.613 614 H SER 72 H SER 72 -19.046 -7.081 -9.032 615 HA SER 72 HA SER 72 -19.373 -6.410 -6.377 616 HB2 SER 72 1HB SER 72 -21.620 -7.858 -7.731 617 HB3 SER 72 2HB SER 72 -21.648 -6.340 -6.842 618 HG SER 72 HG SER 72 -21.770 -6.662 -9.366 619 H GLU 73 H GLU 73 -19.190 -9.640 -7.732 620 HA GLU 73 HA GLU 73 -20.507 -11.064 -5.671 621 HB2 GLU 73 1HB GLU 73 -19.540 -13.055 -6.647 622 HB3 GLU 73 2HB GLU 73 -20.131 -11.964 -7.900 623 HG2 GLU 73 1HG GLU 73 -17.776 -11.116 -8.082 624 HG3 GLU 73 2HG GLU 73 -17.254 -12.488 -7.113 625 H LYS 74 H LYS 74 -17.152 -9.817 -5.872 626 HA LYS 74 HA LYS 74 -16.606 -11.137 -3.233 627 HB2 LYS 74 1HB LYS 74 -14.474 -9.770 -4.877 628 HB3 LYS 74 2HB LYS 74 -14.293 -10.941 -3.591 629 HG2 LYS 74 1HG LYS 74 -15.257 -11.481 -6.408 630 HG3 LYS 74 2HG LYS 74 -13.687 -11.872 -5.782 631 HD2 LYS 74 1HD LYS 74 -16.292 -13.139 -4.844 632 HD3 LYS 74 2HD LYS 74 -15.210 -13.763 -6.062 633 HE2 LYS 74 1HE LYS 74 -14.569 -15.015 -4.261 634 HE3 LYS 74 2HE LYS 74 -13.352 -13.742 -4.251 635 HZ1 LYS 74 1HZ LYS 74 -14.302 -14.233 -2.051 636 HZ2 LYS 74 2HZ LYS 74 -15.792 -13.850 -2.563 637 HZ3 LYS 74 3HZ LYS 74 -14.624 -12.688 -2.450 638 H ALA 75 H ALA 75 -15.291 -9.653 -1.694 639 HA ALA 75 HA ALA 75 -16.389 -6.887 -1.771 640 HB1 ALA 75 1HB ALA 75 -15.620 -8.570 0.647 641 HB2 ALA 75 2HB ALA 75 -16.292 -6.935 0.668 642 HB3 ALA 75 3HB ALA 75 -17.292 -8.282 0.095 643 H ILE 76 H ILE 76 -14.773 -5.412 -0.369 644 HA ILE 76 HA ILE 76 -12.003 -6.267 -0.553 645 HB ILE 76 HB ILE 76 -12.548 -5.473 -2.717 646 HG12 ILE 76 1HG1 ILE 76 -10.777 -3.268 -1.867 647 HG13 ILE 76 2HG1 ILE 76 -10.302 -4.912 -1.394 648 HG21 ILE 76 1HG2 ILE 76 -13.065 -3.149 -3.307 649 HG22 ILE 76 2HG2 ILE 76 -14.345 -3.847 -2.309 650 HG23 ILE 76 3HG2 ILE 76 -13.175 -2.728 -1.586 651 HD11 ILE 76 1HD1 ILE 76 -10.365 -5.658 -3.678 652 HD12 ILE 76 2HD1 ILE 76 -10.969 -4.101 -4.242 653 HD13 ILE 76 3HD1 ILE 76 -9.324 -4.223 -3.568 654 H PHE 77 H PHE 77 -10.788 -5.564 1.098 655 HA PHE 77 HA PHE 77 -11.612 -3.144 2.601 656 HB2 PHE 77 2HB PHE 77 -10.898 -5.762 3.968 657 HB3 PHE 77 3HB PHE 77 -11.496 -4.291 4.713 658 HD1 PHE 77 1HD PHE 77 -12.366 -7.442 3.127 659 HD2 PHE 77 2HD PHE 77 -13.950 -3.592 4.261 660 HE1 PHE 77 1HE PHE 77 -14.689 -8.320 2.934 661 HE2 PHE 77 2HE PHE 77 -16.253 -4.510 4.133 662 HZ PHE 77 HZ PHE 77 -16.617 -6.882 3.505 663 H LEU 78 H LEU 78 -9.785 -2.178 3.790 664 HA LEU 78 HA LEU 78 -7.081 -3.203 3.139 665 HB2 LEU 78 1HB LEU 78 -7.971 -0.275 3.411 666 HB3 LEU 78 2HB LEU 78 -6.332 -0.836 3.314 667 HG LEU 78 HG LEU 78 -8.275 -1.392 1.103 668 HD11 LEU 78 1HD1 LEU 78 -7.393 0.495 -0.150 669 HD12 LEU 78 2HD1 LEU 78 -6.331 0.933 1.192 670 HD13 LEU 78 3HD1 LEU 78 -8.094 1.065 1.384 671 HD21 LEU 78 1HD2 LEU 78 -6.249 -1.723 -0.260 672 HD22 LEU 78 2HD2 LEU 78 -6.139 -2.739 1.203 673 HD23 LEU 78 3HD2 LEU 78 -5.227 -1.234 1.099 674 H PHE 79 H PHE 79 -5.560 -2.913 4.845 675 HA PHE 79 HA PHE 79 -6.521 -1.983 7.484 676 HB2 PHE 79 2HB PHE 79 -5.166 -4.664 7.069 677 HB3 PHE 79 3HB PHE 79 -5.685 -3.974 8.601 678 HD1 PHE 79 1HD PHE 79 -6.452 -6.382 6.220 679 HD2 PHE 79 2HD PHE 79 -8.372 -3.350 8.611 680 HE1 PHE 79 1HE PHE 79 -8.591 -7.597 6.047 681 HE2 PHE 79 2HE PHE 79 -10.531 -4.555 8.407 682 HZ PHE 79 HZ PHE 79 -10.650 -6.690 7.108 683 H VAL 80 H VAL 80 -4.929 -0.694 8.372 684 HA VAL 80 HA VAL 80 -2.122 -1.061 7.467 685 HB VAL 80 HB VAL 80 -3.148 0.764 6.301 686 HG11 VAL 80 1HG1 VAL 80 -3.953 2.761 7.293 687 HG12 VAL 80 2HG1 VAL 80 -4.760 1.443 8.176 688 HG13 VAL 80 3HG1 VAL 80 -3.404 2.295 8.900 689 HG21 VAL 80 1HG2 VAL 80 -1.092 1.760 8.309 690 HG22 VAL 80 2HG2 VAL 80 -0.727 0.833 6.841 691 HG23 VAL 80 3HG2 VAL 80 -1.443 2.445 6.719 692 H ASP 81 H ASP 81 -0.756 -1.401 9.180 693 HA ASP 81 HA ASP 81 -0.143 -1.869 11.332 694 HB2 ASP 81 1HB ASP 81 0.530 0.450 10.815 695 HB3 ASP 81 2HB ASP 81 -0.934 1.043 11.604 696 H LYS 82 H LYS 82 -2.796 -2.759 10.963 697 HA LYS 82 HA LYS 82 -4.522 -3.640 12.047 698 HB2 LYS 82 1HB LYS 82 -3.048 -2.978 14.617 699 HB3 LYS 82 2HB LYS 82 -4.462 -4.023 14.472 700 HG2 LYS 82 1HG LYS 82 -3.283 -5.611 13.089 701 HG3 LYS 82 2HG LYS 82 -1.863 -4.565 12.975 702 HD2 LYS 82 1HD LYS 82 -1.474 -4.757 15.406 703 HD3 LYS 82 2HD LYS 82 -2.895 -5.782 15.575 704 HE2 LYS 82 1HE LYS 82 -0.707 -6.499 13.612 705 HE3 LYS 82 2HE LYS 82 -0.525 -6.887 15.334 706 HZ1 LYS 82 1HZ LYS 82 -2.323 -8.287 15.286 707 HZ2 LYS 82 2HZ LYS 82 -1.622 -8.621 13.840 708 HZ3 LYS 82 3HZ LYS 82 -2.978 -7.680 13.926 709 H THR 83 H THR 83 -4.816 -1.046 11.045 710 HA THR 83 HA THR 83 -7.010 -0.140 12.752 711 HB THR 83 HB THR 83 -6.396 2.200 12.502 712 HG1 THR 83 1HG THR 83 -4.183 1.180 11.070 713 HG21 THR 83 1HG2 THR 83 -3.972 0.766 13.640 714 HG22 THR 83 2HG2 THR 83 -5.507 1.020 14.502 715 HG23 THR 83 3HG2 THR 83 -4.529 2.409 13.997 716 H VAL 84 H VAL 84 -8.515 1.194 11.615 717 HA VAL 84 HA VAL 84 -8.753 0.517 8.731 718 HB VAL 84 HB VAL 84 -10.905 1.312 10.729 719 HG11 VAL 84 1HG1 VAL 84 -12.469 0.703 8.908 720 HG12 VAL 84 2HG1 VAL 84 -11.434 2.056 8.426 721 HG13 VAL 84 3HG1 VAL 84 -11.101 0.421 7.814 722 HG21 VAL 84 1HG2 VAL 84 -11.705 -0.970 10.492 723 HG22 VAL 84 2HG2 VAL 84 -10.323 -1.386 9.447 724 HG23 VAL 84 3HG2 VAL 84 -10.071 -0.969 11.159 725 HA PRO 85 HA PRO 85 -7.462 4.875 8.945 726 HB2 PRO 85 2HB PRO 85 -6.821 5.245 6.273 727 HB3 PRO 85 3HB PRO 85 -5.759 4.438 7.480 728 HG2 PRO 85 2HG PRO 85 -7.596 3.181 5.442 729 HG3 PRO 85 3HG PRO 85 -5.937 2.683 5.923 730 HD2 PRO 85 2HD PRO 85 -8.234 1.498 6.846 731 HD3 PRO 85 3HD PRO 85 -6.733 1.550 7.788 732 H GLN 86 H GLN 86 -8.425 6.791 8.449 733 HA GLN 86 HA GLN 86 -11.239 6.632 7.759 734 HB2 GLN 86 1HB GLN 86 -10.491 8.197 9.422 735 HB3 GLN 86 2HB GLN 86 -9.421 9.028 8.290 736 HG2 GLN 86 1HG GLN 86 -11.243 9.935 7.049 737 HG3 GLN 86 2HG GLN 86 -12.402 8.799 7.753 738 HE21 GLN 86 1HE2 GLN 86 -12.450 12.322 9.355 739 HE22 GLN 86 2HE2 GLN 86 -11.630 12.014 7.836 740 H SER 87 H SER 87 -12.036 6.546 5.738 741 HA SER 87 HA SER 87 -10.615 6.537 3.394 742 HB2 SER 87 1HB SER 87 -12.945 6.863 2.401 743 HB3 SER 87 2HB SER 87 -12.723 5.532 3.538 744 HG SER 87 HG SER 87 -14.539 7.335 3.690 745 H SER 88 H SER 88 -12.047 9.419 4.953 746 HA SER 88 HA SER 88 -11.529 11.116 2.647 747 HB2 SER 88 1HB SER 88 -12.212 11.944 5.480 748 HB3 SER 88 2HB SER 88 -12.543 12.821 3.976 749 HG SER 88 HG SER 88 -14.257 11.528 5.083 750 H LEU 89 H LEU 89 -9.384 9.890 5.051 751 HA LEU 89 HA LEU 89 -7.975 12.314 5.624 752 HB2 LEU 89 1HB LEU 89 -7.990 10.196 7.016 753 HB3 LEU 89 2HB LEU 89 -6.956 9.452 5.798 754 HG LEU 89 HG LEU 89 -5.186 11.119 6.278 755 HD11 LEU 89 1HD1 LEU 89 -7.147 12.185 8.367 756 HD12 LEU 89 2HD1 LEU 89 -6.473 13.084 6.994 757 HD13 LEU 89 3HD1 LEU 89 -5.420 12.587 8.315 758 HD21 LEU 89 1HD2 LEU 89 -5.344 8.991 7.608 759 HD22 LEU 89 2HD2 LEU 89 -6.269 9.850 8.837 760 HD23 LEU 89 3HD2 LEU 89 -4.585 10.312 8.508 761 H THR 90 H THR 90 -6.031 13.087 4.678 762 HA THR 90 HA THR 90 -5.787 12.403 1.870 763 HB THR 90 HB THR 90 -4.069 14.426 3.271 764 HG1 THR 90 1HG THR 90 -5.731 15.501 3.907 765 HG21 THR 90 1HG2 THR 90 -5.646 14.442 0.675 766 HG22 THR 90 2HG2 THR 90 -3.928 14.012 0.807 767 HG23 THR 90 3HG2 THR 90 -4.454 15.659 1.197 768 H MET 91 H MET 91 -3.841 11.681 0.885 769 HA MET 91 HA MET 91 -2.531 9.623 2.181 770 HB2 MET 91 1HB MET 91 -1.953 11.225 -0.317 771 HB3 MET 91 2HB MET 91 -0.753 10.046 0.213 772 HG2 MET 91 1HG MET 91 -3.670 9.508 -0.439 773 HG3 MET 91 2HG MET 91 -2.275 9.042 -1.395 774 HE1 MET 91 1HE MET 91 -4.504 8.270 1.661 775 HE2 MET 91 2HE MET 91 -4.902 7.531 0.089 776 HE3 MET 91 3HE MET 91 -4.418 6.499 1.458 777 H GLY 92 H GLY 92 -1.175 12.962 1.669 778 HA2 GLY 92 1HA GLY 92 1.293 12.507 2.918 779 HA3 GLY 92 2HA GLY 92 0.414 14.049 2.854 780 H GLN 93 H GLN 93 -1.862 13.465 4.380 781 HA GLN 93 HA GLN 93 -0.920 13.958 7.006 782 HB2 GLN 93 1HB GLN 93 -3.656 13.068 5.937 783 HB3 GLN 93 2HB GLN 93 -3.323 13.624 7.549 784 HG2 GLN 93 1HG GLN 93 -2.435 15.798 6.467 785 HG3 GLN 93 2HG GLN 93 -3.108 15.216 4.968 786 HE21 GLN 93 1HE2 GLN 93 -5.502 17.022 7.672 787 HE22 GLN 93 2HE2 GLN 93 -3.754 16.836 7.881 788 H LEU 94 H LEU 94 -2.502 11.151 5.539 789 HA LEU 94 HA LEU 94 -2.337 9.386 7.746 790 HB2 LEU 94 1HB LEU 94 -3.806 8.997 5.891 791 HB3 LEU 94 2HB LEU 94 -2.495 8.837 4.745 792 HG LEU 94 HG LEU 94 -2.469 7.066 7.182 793 HD11 LEU 94 1HD1 LEU 94 -4.840 6.969 6.482 794 HD12 LEU 94 2HD1 LEU 94 -3.989 5.437 6.276 795 HD13 LEU 94 3HD1 LEU 94 -4.299 6.451 4.859 796 HD21 LEU 94 1HD2 LEU 94 -0.682 6.781 5.455 797 HD22 LEU 94 2HD2 LEU 94 -1.953 6.398 4.245 798 HD23 LEU 94 3HD2 LEU 94 -1.667 5.350 5.647 799 H TYR 95 H TYR 95 -0.011 9.913 5.086 800 HA TYR 95 HA TYR 95 1.857 7.880 5.762 801 HB2 TYR 95 2HB TYR 95 1.966 8.965 3.611 802 HB3 TYR 95 3HB TYR 95 2.130 10.555 4.335 803 HD1 TYR 95 1HD TYR 95 3.841 7.210 4.219 804 HD2 TYR 95 2HD TYR 95 4.274 11.495 4.576 805 HE1 TYR 95 1HE TYR 95 6.295 6.961 4.194 806 HE2 TYR 95 2HE TYR 95 6.732 11.251 4.583 807 HH TYR 95 HH TYR 95 8.321 8.043 4.410 808 H GLU 96 H GLU 96 1.783 11.405 6.582 809 HA GLU 96 HA GLU 96 4.056 11.374 8.227 810 HB2 GLU 96 1HB GLU 96 1.604 13.158 8.067 811 HB3 GLU 96 2HB GLU 96 2.896 13.486 9.211 812 HG2 GLU 96 1HG GLU 96 3.599 13.096 6.279 813 HG3 GLU 96 2HG GLU 96 2.896 14.618 6.819 814 H LYS 97 H LYS 97 0.689 10.556 9.088 815 HA LYS 97 HA LYS 97 1.535 10.342 11.910 816 HB2 LYS 97 1HB LYS 97 -0.670 10.345 12.550 817 HB3 LYS 97 2HB LYS 97 -0.569 11.488 11.225 818 HG2 LYS 97 1HG LYS 97 -2.451 10.408 10.494 819 HG3 LYS 97 2HG LYS 97 -1.272 9.337 9.786 820 HD2 LYS 97 1HD LYS 97 -2.985 8.033 10.853 821 HD3 LYS 97 2HD LYS 97 -1.509 7.874 11.831 822 HE2 LYS 97 1HE LYS 97 -2.344 9.499 13.440 823 HE3 LYS 97 2HE LYS 97 -3.815 9.751 12.473 824 HZ1 LYS 97 1HZ LYS 97 -4.514 7.574 12.958 825 HZ2 LYS 97 2HZ LYS 97 -3.850 8.090 14.404 826 HZ3 LYS 97 3HZ LYS 97 -3.030 7.077 13.418 827 H GLU 98 H GLU 98 1.038 8.124 9.193 828 HA GLU 98 HA GLU 98 1.154 5.850 11.123 829 HB2 GLU 98 1HB GLU 98 0.305 5.773 8.217 830 HB3 GLU 98 2HB GLU 98 0.195 4.478 9.416 831 HG2 GLU 98 1HG GLU 98 -1.363 6.004 10.759 832 HG3 GLU 98 2HG GLU 98 -1.374 7.086 9.393 833 H LYS 99 H LYS 99 3.344 7.660 9.524 834 HA LYS 99 HA LYS 99 4.942 6.121 7.971 835 HB2 LYS 99 1HB LYS 99 5.106 8.589 9.329 836 HB3 LYS 99 2HB LYS 99 6.469 7.695 9.967 837 HG2 LYS 99 1HG LYS 99 7.184 7.172 7.623 838 HG3 LYS 99 2HG LYS 99 5.882 8.205 7.024 839 HD2 LYS 99 1HD LYS 99 8.019 9.189 8.965 840 HD3 LYS 99 2HD LYS 99 8.199 9.308 7.209 841 HE2 LYS 99 1HE LYS 99 6.314 10.749 6.986 842 HE3 LYS 99 2HE LYS 99 5.748 10.400 8.623 843 HZ1 LYS 99 1HZ LYS 99 8.367 11.637 8.385 844 HZ2 LYS 99 2HZ LYS 99 7.187 11.824 9.526 845 HZ3 LYS 99 3HZ LYS 99 7.017 12.570 8.089 846 H ASP 100 H ASP 100 6.195 4.351 8.148 847 HA ASP 100 HA ASP 100 6.499 2.960 10.691 848 HB2 ASP 100 1HB ASP 100 6.094 1.759 8.565 849 HB3 ASP 100 2HB ASP 100 7.587 2.431 7.889 850 H GLU 101 H GLU 101 8.957 2.041 11.049 851 HA GLU 101 HA GLU 101 10.581 4.231 11.868 852 HB2 GLU 101 1HB GLU 101 12.185 2.635 12.466 853 HB3 GLU 101 2HB GLU 101 10.605 1.925 12.846 854 HG2 GLU 101 1HG GLU 101 10.784 0.528 10.789 855 HG3 GLU 101 2HG GLU 101 12.371 1.231 10.442 856 H ASP 102 H ASP 102 10.410 2.300 8.925 857 HA ASP 102 HA ASP 102 12.901 3.467 7.857 858 HB2 ASP 102 1HB ASP 102 11.249 1.063 7.382 859 HB3 ASP 102 2HB ASP 102 11.827 1.830 5.921 860 H GLY 103 H GLY 103 10.249 4.972 8.256 861 HA2 GLY 103 1HA GLY 103 9.195 6.708 7.202 862 HA3 GLY 103 2HA GLY 103 10.563 6.756 6.106 863 H PHE 104 H PHE 104 8.416 3.885 6.271 864 HA PHE 104 HA PHE 104 7.192 4.687 3.683 865 HB2 PHE 104 2HB PHE 104 7.604 2.650 2.689 866 HB3 PHE 104 3HB PHE 104 9.119 3.035 3.457 867 HD1 PHE 104 1HD PHE 104 6.551 0.530 3.064 868 HD2 PHE 104 2HD PHE 104 9.552 1.925 5.823 869 HE1 PHE 104 1HE PHE 104 6.634 -1.709 4.104 870 HE2 PHE 104 2HE PHE 104 9.578 -0.324 6.887 871 HZ PHE 104 HZ PHE 104 8.126 -2.106 6.062 872 H LEU 105 H LEU 105 5.351 2.948 3.149 873 HA LEU 105 HA LEU 105 3.696 2.595 5.589 874 HB2 LEU 105 1HB LEU 105 3.105 4.552 3.944 875 HB3 LEU 105 2HB LEU 105 2.624 3.247 2.863 876 HG LEU 105 HG LEU 105 1.186 2.426 4.938 877 HD11 LEU 105 1HD1 LEU 105 1.480 5.393 5.586 878 HD12 LEU 105 2HD1 LEU 105 2.156 4.066 6.547 879 HD13 LEU 105 3HD1 LEU 105 0.411 4.222 6.390 880 HD21 LEU 105 1HD2 LEU 105 -0.705 3.783 4.196 881 HD22 LEU 105 2HD2 LEU 105 0.221 3.197 2.815 882 HD23 LEU 105 3HD2 LEU 105 0.396 4.890 3.336 883 H TYR 106 H TYR 106 2.742 0.581 5.806 884 HA TYR 106 HA TYR 106 2.918 -1.327 3.533 885 HB2 TYR 106 2HB TYR 106 3.432 -3.072 5.134 886 HB3 TYR 106 3HB TYR 106 4.655 -1.816 5.191 887 HD1 TYR 106 1HD TYR 106 5.122 -0.620 7.313 888 HD2 TYR 106 2HD TYR 106 1.664 -3.141 6.866 889 HE1 TYR 106 1HE TYR 106 4.649 -0.396 9.728 890 HE2 TYR 106 2HE TYR 106 1.130 -2.868 9.246 891 HH TYR 106 HH TYR 106 3.226 -1.122 11.541 892 H VAL 107 H VAL 107 0.909 -2.216 2.981 893 HA VAL 107 HA VAL 107 -1.276 -1.988 4.968 894 HB VAL 107 HB VAL 107 -1.487 -1.265 2.023 895 HG11 VAL 107 1HG1 VAL 107 -3.614 -2.111 2.895 896 HG12 VAL 107 2HG1 VAL 107 -3.492 -1.031 4.301 897 HG13 VAL 107 3HG1 VAL 107 -3.720 -0.361 2.684 898 HG21 VAL 107 1HG2 VAL 107 -1.452 0.572 4.453 899 HG22 VAL 107 2HG2 VAL 107 -0.237 0.514 3.164 900 HG23 VAL 107 3HG2 VAL 107 -1.868 1.069 2.801 901 H ALA 108 H ALA 108 -2.870 -3.589 4.796 902 HA ALA 108 HA ALA 108 -2.129 -5.972 3.186 903 HB1 ALA 108 1HB ALA 108 -3.407 -5.843 5.948 904 HB2 ALA 108 2HB ALA 108 -3.109 -7.320 4.997 905 HB3 ALA 108 3HB ALA 108 -1.737 -6.354 5.583 906 H TYR 109 H TYR 109 -4.032 -7.078 2.253 907 HA TYR 109 HA TYR 109 -6.599 -5.620 2.586 908 HB2 TYR 109 2HB TYR 109 -7.011 -5.264 0.358 909 HB3 TYR 109 3HB TYR 109 -5.356 -4.700 0.560 910 HD1 TYR 109 1HD TYR 109 -7.580 -6.560 -1.513 911 HD2 TYR 109 2HD TYR 109 -3.502 -6.486 -0.094 912 HE1 TYR 109 1HE TYR 109 -6.886 -7.937 -3.441 913 HE2 TYR 109 2HE TYR 109 -2.804 -7.844 -2.025 914 HH TYR 109 HH TYR 109 -5.077 -9.358 -4.271 915 H SER 110 H SER 110 -8.511 -6.812 2.074 916 HA SER 110 HA SER 110 -8.138 -9.692 1.464 917 HB2 SER 110 1HB SER 110 -9.478 -10.353 3.367 918 HB3 SER 110 2HB SER 110 -8.046 -9.475 3.907 919 HG SER 110 HG SER 110 -9.956 -8.873 4.952 920 H GLY 111 H GLY 111 -10.309 -10.753 1.298 921 HA2 GLY 111 1HA GLY 111 -12.242 -9.011 -0.141 922 HA3 GLY 111 2HA GLY 111 -11.877 -10.683 -0.592 923 H GLU 112 H GLU 112 -11.973 -10.250 2.844 924 HA GLU 112 HA GLU 112 -14.821 -10.775 3.166 925 HB2 GLU 112 1HB GLU 112 -14.279 -12.762 4.559 926 HB3 GLU 112 2HB GLU 112 -13.960 -12.988 2.841 927 HG2 GLU 112 1HG GLU 112 -11.509 -12.611 3.265 928 HG3 GLU 112 2HG GLU 112 -11.847 -12.445 4.986 929 H ASN 113 H ASN 113 -15.480 -10.081 5.168 930 HA ASN 113 HA ASN 113 -13.694 -8.263 6.595 931 HB2 ASN 113 1HB ASN 113 -15.648 -7.689 7.894 932 HB3 ASN 113 2HB ASN 113 -16.103 -7.726 6.188 933 HD21 ASN 113 1HD2 ASN 113 -17.965 -10.220 8.783 934 HD22 ASN 113 2HD2 ASN 113 -16.890 -8.969 9.371 935 H THR 114 H THR 114 -14.597 -11.619 6.884 936 HA THR 114 HA THR 114 -14.141 -11.887 9.757 937 HB THR 114 HB THR 114 -14.566 -14.330 9.020 938 HG1 THR 114 1HG THR 114 -14.084 -14.010 6.839 939 HG21 THR 114 1HG2 THR 114 -16.986 -14.013 8.800 940 HG22 THR 114 2HG2 THR 114 -16.766 -12.306 8.382 941 HG23 THR 114 3HG2 THR 114 -16.348 -12.888 10.012 942 H PHE 115 H PHE 115 -12.025 -12.185 10.464 943 HA PHE 115 HA PHE 115 -10.056 -13.277 8.516 944 HB2 PHE 115 2HB PHE 115 -8.327 -11.835 9.635 945 HB3 PHE 115 3HB PHE 115 -9.480 -11.045 8.598 946 HD1 PHE 115 1HD PHE 115 -8.697 -11.679 12.200 947 HD2 PHE 115 2HD PHE 115 -10.852 -9.263 9.352 948 HE1 PHE 115 1HE PHE 115 -9.369 -10.112 14.019 949 HE2 PHE 115 2HE PHE 115 -11.458 -7.670 11.167 950 HZ PHE 115 HZ PHE 115 -10.741 -8.124 13.504 951 H GLY 116 H GLY 116 -11.768 -14.469 10.942 952 HA2 GLY 116 1HA GLY 116 -9.724 -16.333 11.632 953 HA3 GLY 116 2HA GLY 116 -10.023 -15.243 12.989 954 H1 GLY 330 H GLY 330 19.784 -12.248 7.416 955 HA2 GLY 330 1HA GLY 330 20.729 -14.926 6.553 956 HA3 GLY 330 2HA GLY 330 19.201 -14.176 6.008 957 H ALA 331 H ALA 331 21.071 -14.947 4.072 958 HA ALA 331 HA ALA 331 21.995 -12.310 3.052 959 HB1 ALA 331 1HB ALA 331 23.927 -13.443 4.070 960 HB2 ALA 331 2HB ALA 331 23.621 -14.878 3.052 961 HB3 ALA 331 3HB ALA 331 24.066 -13.324 2.309 962 H MET 332 H MET 332 19.576 -13.471 2.462 963 HA MET 332 HA MET 332 19.701 -15.101 0.048 964 HB2 MET 332 1HB MET 332 17.331 -13.711 1.349 965 HB3 MET 332 2HB MET 332 17.285 -15.034 0.175 966 HG2 MET 332 1HG MET 332 18.469 -16.497 1.815 967 HG3 MET 332 2HG MET 332 18.333 -15.210 3.017 968 HE1 MET 332 1HE MET 332 16.130 -14.191 3.847 969 HE2 MET 332 2HE MET 332 15.251 -14.097 2.301 970 HE3 MET 332 3HE MET 332 14.524 -14.933 3.680 971 H GLU 333 H GLU 333 20.653 -12.121 0.267 972 HA GLU 333 HA GLU 333 19.098 -10.509 -1.458 973 HB2 GLU 333 1HB GLU 333 22.026 -10.437 -0.587 974 HB3 GLU 333 2HB GLU 333 21.278 -9.123 -1.466 975 HG2 GLU 333 1HG GLU 333 21.002 -8.266 0.587 976 HG3 GLU 333 2HG GLU 333 19.492 -9.172 0.504 977 H ILE 334 H ILE 334 19.859 -13.094 -2.619 978 HA ILE 334 HA ILE 334 21.591 -12.530 -4.911 979 HB ILE 334 HB ILE 334 19.816 -14.946 -4.437 980 HG12 ILE 334 1HG1 ILE 334 21.212 -14.788 -2.463 981 HG13 ILE 334 2HG1 ILE 334 21.823 -16.078 -3.469 982 HG21 ILE 334 1HG2 ILE 334 21.668 -16.126 -5.758 983 HG22 ILE 334 2HG2 ILE 334 20.581 -15.099 -6.669 984 HG23 ILE 334 3HG2 ILE 334 22.200 -14.507 -6.244 985 HD11 ILE 334 1HD1 ILE 334 23.660 -14.600 -4.275 986 HD12 ILE 334 2HD1 ILE 334 23.041 -13.279 -3.260 987 HD13 ILE 334 3HD1 ILE 334 23.656 -14.752 -2.514 988 H ILE 335 H ILE 335 20.846 -12.871 -7.098 989 HA ILE 335 HA ILE 335 18.586 -11.206 -7.757 990 HB ILE 335 HB ILE 335 19.284 -11.668 -10.100 991 HG12 ILE 335 1HG1 ILE 335 21.472 -12.750 -10.530 992 HG13 ILE 335 2HG1 ILE 335 21.497 -13.385 -8.891 993 HG21 ILE 335 1HG2 ILE 335 20.232 -9.844 -8.733 994 HG22 ILE 335 2HG2 ILE 335 21.558 -10.922 -8.244 995 HG23 ILE 335 3HG2 ILE 335 21.365 -10.449 -9.945 996 HD11 ILE 335 1HD1 ILE 335 19.733 -14.936 -9.386 997 HD12 ILE 335 2HD1 ILE 335 19.316 -14.087 -10.897 998 HD13 ILE 335 3HD1 ILE 335 20.840 -14.984 -10.749 999 H HIS 336 H HIS 336 18.714 -14.468 -6.960 1000 HA HIS 336 HA HIS 336 16.618 -15.379 -8.757 1001 HB2 HIS 336 1HB HIS 336 18.628 -16.720 -7.850 1002 HB3 HIS 336 2HB HIS 336 17.732 -16.819 -6.334 1003 HD1 HIS 336 HD1 HIS 336 17.368 -19.436 -6.539 1004 HD2 HIS 336 HD2 HIS 336 15.984 -17.173 -9.809 1005 HE1 HIS 336 HE1 HIS 336 16.131 -21.059 -8.108 1006 H GLU 337 H GLU 337 16.291 -13.191 -6.612 1007 HA GLU 337 HA GLU 337 14.562 -13.931 -4.559 1008 HB2 GLU 337 1HB GLU 337 13.987 -11.550 -4.586 1009 HB3 GLU 337 2HB GLU 337 15.722 -11.803 -4.726 1010 HG2 GLU 337 1HG GLU 337 15.482 -11.414 -7.240 1011 HG3 GLU 337 2HG GLU 337 13.795 -10.968 -6.945 1012 H ASP 338 H ASP 338 12.331 -14.140 -4.404 1013 HA ASP 338 HA ASP 338 10.830 -14.682 -6.899 1014 HB2 ASP 338 1HB ASP 338 10.405 -16.129 -5.008 1015 HB3 ASP 338 2HB ASP 338 10.083 -14.750 -3.950 1016 H ASN 339 H ASN 339 10.952 -12.363 -4.253 1017 HA ASN 339 HA ASN 339 8.736 -10.782 -5.224 1018 HB2 ASN 339 1HB ASN 339 9.290 -9.245 -3.407 1019 HB3 ASN 339 2HB ASN 339 9.019 -10.905 -2.890 1020 HD21 ASN 339 1HD2 ASN 339 13.009 -10.457 -2.540 1021 HD22 ASN 339 2HD2 ASN 339 12.233 -10.508 -4.097 1022 H GLU 340 H GLU 340 8.910 -9.664 -7.080 1023 HA GLU 340 HA GLU 340 11.466 -8.707 -8.045 1024 HB2 GLU 340 1HB GLU 340 9.569 -9.426 -9.511 1025 HB3 GLU 340 2HB GLU 340 8.612 -8.081 -8.914 1026 HG2 GLU 340 1HG GLU 340 9.505 -7.553 -11.106 1027 HG3 GLU 340 2HG GLU 340 10.184 -6.457 -9.914 1028 H TRP 341 H TRP 341 8.652 -7.194 -6.399 1029 HA TRP 341 HA TRP 341 8.297 -5.133 -5.591 1030 HB2 TRP 341 2HB TRP 341 11.260 -5.238 -4.984 1031 HB3 TRP 341 3HB TRP 341 10.160 -4.016 -4.380 1032 HD1 TRP 341 HD1 TRP 341 11.816 -6.753 -3.060 1033 HE1 TRP 341 1HE TRP 341 10.583 -8.058 -1.278 1034 HE3 TRP 341 3HE TRP 341 7.141 -4.767 -3.735 1035 HZ2 TRP 341 2HZ TRP 341 7.885 -8.212 -0.229 1036 HZ3 TRP 341 3HZ TRP 341 5.261 -5.537 -2.345 1037 HH2 TRP 341 HH2 TRP 341 5.610 -7.270 -0.590 1038 H GLY 342 H GLY 342 8.020 -4.963 -8.173 1039 HA2 GLY 342 1HA GLY 342 9.824 -2.999 -9.360 1040 HA3 GLY 342 2HA GLY 342 8.351 -3.676 -10.073 1041 H ILE 343 H ILE 343 9.541 -0.824 -9.265 1042 HA ILE 343 HA ILE 343 7.671 0.535 -7.558 1043 HB ILE 343 HB ILE 343 9.553 1.403 -9.797 1044 HG12 ILE 343 1HG1 ILE 343 9.909 1.493 -6.760 1045 HG13 ILE 343 2HG1 ILE 343 10.641 0.307 -7.825 1046 HG21 ILE 343 1HG2 ILE 343 7.739 3.158 -9.256 1047 HG22 ILE 343 2HG2 ILE 343 8.572 3.323 -7.682 1048 HG23 ILE 343 3HG2 ILE 343 9.417 3.665 -9.177 1049 HD11 ILE 343 1HD1 ILE 343 11.265 3.275 -7.765 1050 HD12 ILE 343 2HD1 ILE 343 12.329 1.912 -7.395 1051 HD13 ILE 343 3HD1 ILE 343 11.812 2.179 -9.062 1052 H GLU 344 H GLU 344 5.619 1.313 -8.058 1053 HA GLU 344 HA GLU 344 4.841 1.554 -10.885 1054 HB2 GLU 344 1HB GLU 344 4.077 -0.688 -9.457 1055 HB3 GLU 344 2HB GLU 344 2.715 0.396 -9.155 1056 HG2 GLU 344 1HG GLU 344 3.869 -0.498 -11.830 1057 HG3 GLU 344 2HG GLU 344 2.319 -0.965 -11.139 1058 H LEU 345 H LEU 345 4.522 3.675 -11.019 1059 HA LEU 345 HA LEU 345 3.698 5.312 -8.731 1060 HB2 LEU 345 1HB LEU 345 4.369 5.890 -11.627 1061 HB3 LEU 345 2HB LEU 345 3.942 7.147 -10.479 1062 HG LEU 345 HG LEU 345 6.154 5.268 -9.647 1063 HD11 LEU 345 1HD1 LEU 345 7.861 6.358 -10.899 1064 HD12 LEU 345 2HD1 LEU 345 6.677 7.431 -11.698 1065 HD13 LEU 345 3HD1 LEU 345 6.681 5.679 -12.023 1066 HD21 LEU 345 1HD2 LEU 345 5.869 8.291 -9.484 1067 HD22 LEU 345 2HD2 LEU 345 7.073 7.278 -8.666 1068 HD23 LEU 345 3HD2 LEU 345 5.364 7.143 -8.221 1069 H VAL 346 H VAL 346 1.580 5.451 -8.230 1070 HA VAL 346 HA VAL 346 -0.433 5.347 -10.427 1071 HB VAL 346 HB VAL 346 -0.559 4.277 -7.610 1072 HG11 VAL 346 1HG1 VAL 346 -2.575 3.928 -9.831 1073 HG12 VAL 346 2HG1 VAL 346 -2.599 3.134 -8.226 1074 HG13 VAL 346 3HG1 VAL 346 -2.774 4.882 -8.332 1075 HG21 VAL 346 1HG2 VAL 346 -0.674 1.998 -8.765 1076 HG22 VAL 346 2HG2 VAL 346 -0.197 2.818 -10.259 1077 HG23 VAL 346 3HG2 VAL 346 0.890 2.784 -8.860 1078 H SER 347 H SER 347 -2.307 6.654 -10.133 1079 HA SER 347 HA SER 347 -2.767 8.406 -8.005 1080 HB2 SER 347 1HB SER 347 -2.512 10.526 -9.454 1081 HB3 SER 347 2HB SER 347 -1.122 9.871 -8.616 1082 HG SER 347 HG SER 347 -1.769 9.825 -11.342 1083 H GLU 348 H GLU 348 -4.854 9.758 -8.633 1084 HA GLU 348 HA GLU 348 -6.425 8.069 -10.516 1085 HB2 GLU 348 1HB GLU 348 -6.987 8.643 -7.877 1086 HB3 GLU 348 2HB GLU 348 -7.865 9.925 -8.639 1087 HG2 GLU 348 1HG GLU 348 -8.110 6.973 -9.354 1088 HG3 GLU 348 2HG GLU 348 -9.178 7.832 -8.261 Start of MODEL 20 1 H1 MET 1 H MET 1 8.167 -14.237 9.820 2 HA MET 1 HA MET 1 7.800 -14.885 7.337 3 HB2 MET 1 1HB MET 1 6.090 -16.956 8.745 4 HB3 MET 1 2HB MET 1 6.170 -16.634 7.011 5 HG2 MET 1 1HG MET 1 8.632 -17.282 7.101 6 HG3 MET 1 2HG MET 1 8.379 -17.786 8.746 7 HE1 MET 1 1HE MET 1 5.380 -20.558 7.580 8 HE2 MET 1 2HE MET 1 5.733 -19.463 8.934 9 HE3 MET 1 3HE MET 1 5.064 -18.829 7.412 10 H GLY 2 H GLY 2 6.235 -13.585 6.521 11 HA2 GLY 2 1HA GLY 2 3.722 -13.019 7.143 12 HA3 GLY 2 2HA GLY 2 4.578 -12.045 8.375 13 H TRP 3 H TRP 3 6.501 -10.703 7.505 14 HA TRP 3 HA TRP 3 5.623 -9.436 4.972 15 HB2 TRP 3 2HB TRP 3 7.461 -8.596 7.221 16 HB3 TRP 3 3HB TRP 3 7.321 -7.708 5.701 17 HD1 TRP 3 HD1 TRP 3 6.385 -7.049 8.892 18 HE1 TRP 3 1HE TRP 3 4.195 -5.806 9.183 19 HE3 TRP 3 3HE TRP 3 4.266 -8.119 4.328 20 HZ2 TRP 3 2HZ TRP 3 1.637 -5.696 7.761 21 HZ3 TRP 3 3HZ TRP 3 2.032 -7.476 3.823 22 HH2 TRP 3 HH2 TRP 3 0.626 -6.202 5.529 23 H MET 4 H MET 4 6.321 -10.529 3.325 24 HA MET 4 HA MET 4 8.585 -12.270 3.291 25 HB2 MET 4 1HB MET 4 7.187 -10.871 0.986 26 HB3 MET 4 2HB MET 4 8.379 -12.170 0.816 27 HG2 MET 4 1HG MET 4 7.006 -13.742 1.995 28 HG3 MET 4 2HG MET 4 5.876 -12.505 2.514 29 HE1 MET 4 1HE MET 4 5.315 -15.215 -0.939 30 HE2 MET 4 2HE MET 4 6.895 -15.017 -0.156 31 HE3 MET 4 3HE MET 4 5.478 -15.475 0.810 32 H PHE 5 H PHE 5 8.299 -8.882 2.199 33 HA PHE 5 HA PHE 5 10.919 -8.469 1.401 34 HB2 PHE 5 2HB PHE 5 10.509 -6.064 1.967 35 HB3 PHE 5 3HB PHE 5 9.327 -6.808 0.930 36 HD1 PHE 5 1HD PHE 5 9.909 -5.339 4.269 37 HD2 PHE 5 2HD PHE 5 6.981 -7.153 1.678 38 HE1 PHE 5 1HE PHE 5 8.106 -4.479 5.711 39 HE2 PHE 5 2HE PHE 5 5.175 -6.276 3.115 40 HZ PHE 5 HZ PHE 5 5.722 -4.931 5.140 41 H LYS 6 H LYS 6 9.630 -8.185 4.746 42 HA LYS 6 HA LYS 6 12.101 -7.179 5.835 43 HB2 LYS 6 1HB LYS 6 9.461 -7.761 6.803 44 HB3 LYS 6 2HB LYS 6 10.612 -8.624 7.826 45 HG2 LYS 6 1HG LYS 6 11.882 -6.472 8.117 46 HG3 LYS 6 2HG LYS 6 10.690 -5.659 7.102 47 HD2 LYS 6 1HD LYS 6 10.160 -5.226 9.407 48 HD3 LYS 6 2HD LYS 6 8.898 -6.243 8.708 49 HE2 LYS 6 1HE LYS 6 9.384 -7.029 10.936 50 HE3 LYS 6 2HE LYS 6 9.953 -8.250 9.794 51 HZ1 LYS 6 1HZ LYS 6 12.189 -7.368 10.087 52 HZ2 LYS 6 2HZ LYS 6 11.553 -7.831 11.520 53 HZ3 LYS 6 3HZ LYS 6 11.616 -6.225 11.153 54 H GLU 7 H GLU 7 10.830 -10.470 5.318 55 HA GLU 7 HA GLU 7 12.946 -11.680 6.840 56 HB2 GLU 7 1HB GLU 7 10.604 -12.555 5.887 57 HB3 GLU 7 2HB GLU 7 11.614 -13.118 4.563 58 HG2 GLU 7 1HG GLU 7 11.427 -14.900 6.106 59 HG3 GLU 7 2HG GLU 7 13.059 -14.274 6.319 60 H ASP 8 H ASP 8 12.431 -11.091 3.370 61 HA ASP 8 HA ASP 8 14.917 -12.034 2.395 62 HB2 ASP 8 1HB ASP 8 12.810 -10.114 1.332 63 HB3 ASP 8 2HB ASP 8 14.239 -10.478 0.391 64 H HIS 9 H HIS 9 14.043 -8.544 2.258 65 HA HIS 9 HA HIS 9 16.413 -7.584 3.545 66 HB2 HIS 9 1HB HIS 9 17.203 -6.280 1.486 67 HB3 HIS 9 2HB HIS 9 17.668 -7.954 1.617 68 HD1 HIS 9 HD1 HIS 9 14.207 -7.307 0.310 69 HD2 HIS 9 HD2 HIS 9 18.103 -7.926 -1.116 70 HE1 HIS 9 HE1 HIS 9 13.977 -7.972 -2.168 71 H SER 10 H SER 10 15.601 -5.776 4.576 72 HA SER 10 HA SER 10 13.714 -4.120 3.002 73 HB2 SER 10 1HB SER 10 12.525 -5.700 4.501 74 HB3 SER 10 2HB SER 10 13.143 -4.768 5.884 75 HG SER 10 HG SER 10 12.026 -3.036 5.196 76 H LEU 11 H LEU 11 16.162 -4.063 5.699 77 HA LEU 11 HA LEU 11 15.836 -1.340 6.279 78 HB2 LEU 11 1HB LEU 11 17.177 -2.927 7.593 79 HB3 LEU 11 2HB LEU 11 18.332 -3.079 6.273 80 HG LEU 11 HG LEU 11 18.856 -0.608 6.538 81 HD11 LEU 11 1HD1 LEU 11 16.819 0.158 7.702 82 HD12 LEU 11 2HD1 LEU 11 18.228 0.443 8.727 83 HD13 LEU 11 3HD1 LEU 11 17.157 -0.932 9.060 84 HD21 LEU 11 1HD2 LEU 11 20.257 -0.982 8.518 85 HD22 LEU 11 2HD2 LEU 11 20.277 -2.375 7.445 86 HD23 LEU 11 3HD2 LEU 11 19.305 -2.423 8.935 87 H GLU 12 H GLU 12 18.390 -2.689 4.072 88 HA GLU 12 HA GLU 12 19.066 -0.084 3.049 89 HB2 GLU 12 1HB GLU 12 19.586 -2.888 1.990 90 HB3 GLU 12 2HB GLU 12 20.004 -1.439 1.084 91 HG2 GLU 12 1HG GLU 12 21.968 -1.964 2.154 92 HG3 GLU 12 2HG GLU 12 21.317 -0.593 3.035 93 H HIS 13 H HIS 13 16.738 -2.498 2.161 94 HA HIS 13 HA HIS 13 16.137 -1.696 -0.472 95 HB2 HIS 13 1HB HIS 13 15.384 -3.747 1.096 96 HB3 HIS 13 2HB HIS 13 13.940 -2.752 1.283 97 HD1 HIS 13 HD1 HIS 13 15.435 -5.260 -0.999 98 HD2 HIS 13 HD2 HIS 13 12.821 -1.960 -1.226 99 HE1 HIS 13 HE1 HIS 13 14.126 -5.537 -3.161 100 H ARG 14 H ARG 14 14.405 -0.872 2.586 101 HA ARG 14 HA ARG 14 12.795 1.209 1.483 102 HB2 ARG 14 1HB ARG 14 13.627 0.423 4.290 103 HB3 ARG 14 2HB ARG 14 12.828 1.955 4.001 104 HG2 ARG 14 1HG ARG 14 11.298 0.122 4.732 105 HG3 ARG 14 2HG ARG 14 10.803 0.970 3.264 106 HD2 ARG 14 1HD ARG 14 12.293 -1.656 3.208 107 HD3 ARG 14 2HD ARG 14 10.585 -1.594 3.663 108 HE ARG 14 HE ARG 14 10.561 -0.209 1.336 109 HH11 ARG 14 1HH1 ARG 14 11.096 -3.440 2.599 110 HH12 ARG 14 2HH1 ARG 14 10.716 -4.217 1.066 111 HH21 ARG 14 1HH2 ARG 14 10.415 -1.235 -0.791 112 HH22 ARG 14 2HH2 ARG 14 10.122 -2.959 -0.755 113 H CYS 15 H CYS 15 16.065 1.294 3.009 114 HA CYS 15 HA CYS 15 16.340 4.073 3.227 115 HB2 CYS 15 2HB CYS 15 17.862 2.392 4.207 116 HB3 CYS 15 3HB CYS 15 18.425 1.938 2.587 117 HG CYS 15 HG CYS 15 18.620 4.901 4.028 118 H VAL 16 H VAL 16 17.477 2.033 0.465 119 HA VAL 16 HA VAL 16 18.232 4.248 -1.197 120 HB VAL 16 HB VAL 16 17.572 1.328 -1.774 121 HG11 VAL 16 1HG1 VAL 16 17.250 2.553 -3.892 122 HG12 VAL 16 2HG1 VAL 16 18.838 3.334 -3.695 123 HG13 VAL 16 3HG1 VAL 16 18.711 1.575 -3.949 124 HG21 VAL 16 1HG2 VAL 16 19.579 1.768 -0.360 125 HG22 VAL 16 2HG2 VAL 16 20.011 1.109 -1.933 126 HG23 VAL 16 3HG2 VAL 16 20.218 2.842 -1.622 127 H GLU 17 H GLU 17 15.250 2.287 -0.940 128 HA GLU 17 HA GLU 17 13.920 3.349 -3.192 129 HB2 GLU 17 1HB GLU 17 13.341 1.296 -1.995 130 HB3 GLU 17 2HB GLU 17 12.832 2.238 -0.578 131 HG2 GLU 17 1HG GLU 17 11.080 3.290 -1.963 132 HG3 GLU 17 2HG GLU 17 11.589 2.307 -3.360 133 H SER 18 H SER 18 13.870 4.396 0.284 134 HA SER 18 HA SER 18 12.054 6.523 -0.006 135 HB2 SER 18 1HB SER 18 12.725 5.695 2.179 136 HB3 SER 18 2HB SER 18 14.425 6.065 1.865 137 HG SER 18 HG SER 18 13.373 7.595 3.218 138 H ALA 19 H ALA 19 15.702 6.563 -0.185 139 HA ALA 19 HA ALA 19 15.855 9.274 -0.842 140 HB1 ALA 19 1HB ALA 19 17.790 7.964 -0.188 141 HB2 ALA 19 2HB ALA 19 17.714 7.009 -1.693 142 HB3 ALA 19 3HB ALA 19 18.105 8.748 -1.749 143 H LYS 20 H LYS 20 15.759 6.537 -3.224 144 HA LYS 20 HA LYS 20 15.787 8.392 -5.430 145 HB2 LYS 20 1HB LYS 20 15.028 5.448 -5.417 146 HB3 LYS 20 2HB LYS 20 15.197 6.477 -6.857 147 HG2 LYS 20 1HG LYS 20 17.554 7.099 -5.813 148 HG3 LYS 20 2HG LYS 20 17.358 5.593 -4.916 149 HD2 LYS 20 1HD LYS 20 17.270 5.902 -7.948 150 HD3 LYS 20 2HD LYS 20 18.680 5.405 -7.018 151 HE2 LYS 20 1HE LYS 20 17.409 3.420 -6.188 152 HE3 LYS 20 2HE LYS 20 16.024 3.917 -7.183 153 HZ1 LYS 20 1HZ LYS 20 18.700 3.155 -8.174 154 HZ2 LYS 20 2HZ LYS 20 17.509 3.738 -9.129 155 HZ3 LYS 20 3HZ LYS 20 17.303 2.299 -8.344 156 H ILE 21 H ILE 21 13.023 6.958 -3.635 157 HA ILE 21 HA ILE 21 11.112 7.953 -5.613 158 HB ILE 21 HB ILE 21 10.886 6.970 -2.747 159 HG12 ILE 21 1HG1 ILE 21 10.040 5.897 -5.487 160 HG13 ILE 21 2HG1 ILE 21 11.338 5.273 -4.486 161 HG21 ILE 21 1HG2 ILE 21 8.469 7.096 -2.888 162 HG22 ILE 21 2HG2 ILE 21 9.135 8.697 -3.024 163 HG23 ILE 21 3HG2 ILE 21 8.566 7.879 -4.490 164 HD11 ILE 21 1HD1 ILE 21 9.605 4.684 -2.737 165 HD12 ILE 21 2HD1 ILE 21 8.360 5.068 -3.935 166 HD13 ILE 21 3HD1 ILE 21 9.511 3.762 -4.255 167 H ARG 22 H ARG 22 12.448 9.223 -2.491 168 HA ARG 22 HA ARG 22 10.835 11.565 -2.518 169 HB2 ARG 22 1HB ARG 22 13.516 10.919 -1.228 170 HB3 ARG 22 2HB ARG 22 12.616 12.389 -0.907 171 HG2 ARG 22 1HG ARG 22 11.177 9.728 -0.574 172 HG3 ARG 22 2HG ARG 22 12.337 10.215 0.646 173 HD2 ARG 22 1HD ARG 22 10.007 11.938 -0.242 174 HD3 ARG 22 2HD ARG 22 9.957 10.840 1.136 175 HE ARG 22 HE ARG 22 11.588 13.306 0.854 176 HH11 ARG 22 1HH1 ARG 22 10.596 10.623 3.048 177 HH12 ARG 22 2HH1 ARG 22 10.854 11.621 4.454 178 HH21 ARG 22 1HH2 ARG 22 12.363 14.259 2.642 179 HH22 ARG 22 2HH2 ARG 22 12.224 13.555 4.242 180 H ALA 23 H ALA 23 13.929 10.813 -4.079 181 HA ALA 23 HA ALA 23 14.469 13.560 -4.823 182 HB1 ALA 23 1HB ALA 23 16.181 12.479 -6.283 183 HB2 ALA 23 2HB ALA 23 16.260 11.903 -4.612 184 HB3 ALA 23 3HB ALA 23 15.510 10.888 -5.855 185 H LYS 24 H LYS 24 13.101 10.683 -6.558 186 HA LYS 24 HA LYS 24 12.677 12.287 -8.966 187 HB2 LYS 24 1HB LYS 24 11.757 9.452 -8.348 188 HB3 LYS 24 2HB LYS 24 11.544 10.296 -9.884 189 HG2 LYS 24 1HG LYS 24 14.183 10.709 -9.621 190 HG3 LYS 24 2HG LYS 24 14.067 9.239 -8.647 191 HD2 LYS 24 1HD LYS 24 13.223 9.599 -11.551 192 HD3 LYS 24 2HD LYS 24 14.653 8.746 -10.941 193 HE2 LYS 24 1HE LYS 24 13.141 7.150 -9.748 194 HE3 LYS 24 2HE LYS 24 11.752 7.934 -10.532 195 HZ1 LYS 24 1HZ LYS 24 12.720 7.347 -12.655 196 HZ2 LYS 24 2HZ LYS 24 12.481 6.017 -11.739 197 HZ3 LYS 24 3HZ LYS 24 14.014 6.612 -11.883 198 H TYR 25 H TYR 25 10.504 10.985 -6.460 199 HA TYR 25 HA TYR 25 8.292 12.669 -7.471 200 HB2 TYR 25 2HB TYR 25 7.945 9.877 -6.360 201 HB3 TYR 25 3HB TYR 25 6.777 10.910 -7.168 202 HD1 TYR 25 1HD TYR 25 8.973 8.146 -7.474 203 HD2 TYR 25 2HD TYR 25 7.278 11.396 -9.737 204 HE1 TYR 25 1HE TYR 25 9.370 6.881 -9.562 205 HE2 TYR 25 2HE TYR 25 7.716 10.175 -11.832 206 HH TYR 25 HH TYR 25 8.758 6.785 -11.890 207 HA PRO 26 HA PRO 26 9.377 13.254 -2.924 208 HB2 PRO 26 2HB PRO 26 8.971 16.002 -2.891 209 HB3 PRO 26 3HB PRO 26 10.531 15.212 -3.226 210 HG2 PRO 26 2HG PRO 26 8.502 16.265 -5.190 211 HG3 PRO 26 3HG PRO 26 10.286 16.457 -5.228 212 HD2 PRO 26 2HD PRO 26 8.949 14.597 -6.720 213 HD3 PRO 26 3HD PRO 26 10.578 14.245 -6.029 214 H ASP 27 H ASP 27 6.772 14.349 -5.036 215 HA ASP 27 HA ASP 27 4.900 14.828 -2.824 216 HB2 ASP 27 1HB ASP 27 4.656 14.741 -5.863 217 HB3 ASP 27 2HB ASP 27 3.363 15.220 -4.791 218 H ARG 28 H ARG 28 6.115 11.932 -3.906 219 HA ARG 28 HA ARG 28 3.454 10.589 -3.684 220 HB2 ARG 28 1HB ARG 28 5.826 9.752 -5.387 221 HB3 ARG 28 2HB ARG 28 4.399 8.758 -5.069 222 HG2 ARG 28 1HG ARG 28 2.940 10.419 -6.098 223 HG3 ARG 28 2HG ARG 28 4.310 11.468 -6.478 224 HD2 ARG 28 1HD ARG 28 5.101 9.996 -8.164 225 HD3 ARG 28 2HD ARG 28 4.282 8.598 -7.447 226 HE ARG 28 HE ARG 28 2.506 8.962 -8.714 227 HH11 ARG 28 1HH1 ARG 28 4.007 12.298 -8.584 228 HH12 ARG 28 2HH1 ARG 28 2.757 12.858 -9.643 229 HH21 ARG 28 1HH2 ARG 28 1.193 9.859 -10.343 230 HH22 ARG 28 2HH2 ARG 28 1.198 11.582 -10.529 231 H VAL 29 H VAL 29 3.267 8.962 -2.204 232 HA VAL 29 HA VAL 29 5.632 8.562 -0.493 233 HB VAL 29 HB VAL 29 4.066 8.079 1.280 234 HG11 VAL 29 1HG1 VAL 29 3.511 10.680 -0.194 235 HG12 VAL 29 2HG1 VAL 29 3.143 10.364 1.503 236 HG13 VAL 29 3HG1 VAL 29 4.825 10.355 0.959 237 HG21 VAL 29 1HG2 VAL 29 1.822 8.746 -0.683 238 HG22 VAL 29 2HG2 VAL 29 2.151 7.144 0.031 239 HG23 VAL 29 3HG2 VAL 29 1.657 8.484 1.060 240 HA PRO 30 HA PRO 30 5.871 4.323 -1.760 241 HB2 PRO 30 2HB PRO 30 7.610 3.346 0.066 242 HB3 PRO 30 3HB PRO 30 8.078 4.648 -1.066 243 HG2 PRO 30 2HG PRO 30 7.235 4.920 1.830 244 HG3 PRO 30 3HG PRO 30 8.599 5.709 0.987 245 HD2 PRO 30 2HD PRO 30 6.093 6.868 1.384 246 HD3 PRO 30 3HD PRO 30 7.224 7.314 0.075 247 H VAL 31 H VAL 31 4.211 2.908 -1.608 248 HA VAL 31 HA VAL 31 3.368 1.981 1.061 249 HB VAL 31 HB VAL 31 1.646 2.422 -1.411 250 HG11 VAL 31 1HG1 VAL 31 -0.210 2.183 0.303 251 HG12 VAL 31 2HG1 VAL 31 0.702 0.703 0.006 252 HG13 VAL 31 3HG1 VAL 31 1.008 1.658 1.479 253 HG21 VAL 31 1HG2 VAL 31 2.247 4.617 -0.653 254 HG22 VAL 31 2HG2 VAL 31 0.626 4.296 -0.048 255 HG23 VAL 31 3HG2 VAL 31 2.015 4.178 1.045 256 H ILE 32 H ILE 32 2.853 -0.193 1.252 257 HA ILE 32 HA ILE 32 3.675 -2.041 -0.934 258 HB ILE 32 HB ILE 32 3.724 -2.541 2.078 259 HG12 ILE 32 1HG1 ILE 32 5.552 -1.031 1.520 260 HG13 ILE 32 2HG1 ILE 32 6.164 -2.633 1.901 261 HG21 ILE 32 1HG2 ILE 32 4.471 -4.296 -0.303 262 HG22 ILE 32 2HG2 ILE 32 5.004 -4.621 1.358 263 HG23 ILE 32 3HG2 ILE 32 3.282 -4.617 0.966 264 HD11 ILE 32 1HD1 ILE 32 7.363 -1.817 -0.003 265 HD12 ILE 32 2HD1 ILE 32 6.301 -3.100 -0.610 266 HD13 ILE 32 3HD1 ILE 32 5.867 -1.412 -0.875 267 H VAL 33 H VAL 33 2.126 -3.508 -1.542 268 HA VAL 33 HA VAL 33 -0.482 -3.448 -0.108 269 HB VAL 33 HB VAL 33 0.091 -3.456 -3.109 270 HG11 VAL 33 1HG1 VAL 33 -2.367 -3.314 -3.385 271 HG12 VAL 33 2HG1 VAL 33 -1.873 -4.838 -2.640 272 HG13 VAL 33 3HG1 VAL 33 -2.576 -3.561 -1.643 273 HG21 VAL 33 1HG2 VAL 33 -1.106 -1.337 -1.284 274 HG22 VAL 33 2HG2 VAL 33 0.377 -1.217 -2.235 275 HG23 VAL 33 3HG2 VAL 33 -1.178 -1.282 -3.058 276 H GLU 34 H GLU 34 -0.621 -5.473 0.889 277 HA GLU 34 HA GLU 34 0.213 -7.825 -0.749 278 HB2 GLU 34 1HB GLU 34 0.836 -7.074 2.101 279 HB3 GLU 34 2HB GLU 34 0.726 -8.780 1.669 280 HG2 GLU 34 1HG GLU 34 2.539 -6.866 0.158 281 HG3 GLU 34 2HG GLU 34 3.047 -7.752 1.587 282 H LYS 35 H LYS 35 -0.988 -9.714 -0.419 283 HA LYS 35 HA LYS 35 -3.776 -9.172 0.437 284 HB2 LYS 35 1HB LYS 35 -3.174 -10.320 -1.753 285 HB3 LYS 35 2HB LYS 35 -2.588 -11.682 -0.799 286 HG2 LYS 35 1HG LYS 35 -5.187 -11.213 0.225 287 HG3 LYS 35 2HG LYS 35 -5.341 -10.847 -1.487 288 HD2 LYS 35 1HD LYS 35 -5.908 -13.132 -1.148 289 HD3 LYS 35 2HD LYS 35 -4.409 -13.135 -2.011 290 HE2 LYS 35 1HE LYS 35 -3.795 -13.134 0.809 291 HE3 LYS 35 2HE LYS 35 -5.014 -14.377 0.473 292 HZ1 LYS 35 1HZ LYS 35 -2.948 -15.401 0.201 293 HZ2 LYS 35 2HZ LYS 35 -2.328 -14.185 -0.746 294 HZ3 LYS 35 3HZ LYS 35 -3.509 -15.171 -1.298 295 H VAL 36 H VAL 36 -4.644 -9.969 2.318 296 HA VAL 36 HA VAL 36 -3.083 -10.977 4.461 297 HB VAL 36 HB VAL 36 -6.053 -10.903 3.824 298 HG11 VAL 36 1HG1 VAL 36 -6.551 -11.289 6.183 299 HG12 VAL 36 2HG1 VAL 36 -5.748 -12.703 5.487 300 HG13 VAL 36 3HG1 VAL 36 -4.835 -11.574 6.518 301 HG21 VAL 36 1HG2 VAL 36 -6.098 -9.046 5.440 302 HG22 VAL 36 2HG2 VAL 36 -4.354 -9.225 5.715 303 HG23 VAL 36 3HG2 VAL 36 -4.967 -8.700 4.131 304 H SER 37 H SER 37 -2.142 -13.010 4.603 305 HA SER 37 HA SER 37 -2.513 -15.048 2.702 306 HB2 SER 37 1HB SER 37 -1.543 -15.348 5.565 307 HB3 SER 37 2HB SER 37 -1.306 -16.501 4.255 308 HG SER 37 HG SER 37 -0.341 -13.804 4.240 309 H GLY 38 H GLY 38 -4.065 -16.517 2.380 310 HA2 GLY 38 1HA GLY 38 -5.541 -18.225 3.124 311 HA3 GLY 38 2HA GLY 38 -5.931 -17.275 4.562 312 H SER 39 H SER 39 -5.888 -14.984 2.073 313 HA SER 39 HA SER 39 -8.813 -15.102 1.908 314 HB2 SER 39 1HB SER 39 -6.882 -13.022 0.826 315 HB3 SER 39 2HB SER 39 -8.607 -12.835 1.141 316 HG SER 39 HG SER 39 -6.465 -13.090 2.959 317 H GLN 40 H GLN 40 -9.851 -15.899 0.085 318 HA GLN 40 HA GLN 40 -8.325 -17.076 -2.072 319 HB2 GLN 40 1HB GLN 40 -10.424 -18.013 -1.228 320 HB3 GLN 40 2HB GLN 40 -11.296 -16.566 -1.710 321 HG2 GLN 40 1HG GLN 40 -9.867 -18.228 -3.799 322 HG3 GLN 40 2HG GLN 40 -11.396 -18.770 -3.134 323 HE21 GLN 40 1HE2 GLN 40 -13.413 -16.170 -4.664 324 HE22 GLN 40 2HE2 GLN 40 -13.167 -16.867 -3.070 325 H ILE 41 H ILE 41 -9.580 -13.857 -1.546 326 HA ILE 41 HA ILE 41 -10.206 -13.123 -4.159 327 HB ILE 41 HB ILE 41 -10.682 -11.813 -2.096 328 HG12 ILE 41 1HG1 ILE 41 -10.439 -9.566 -2.968 329 HG13 ILE 41 2HG1 ILE 41 -9.271 -10.094 -4.176 330 HG21 ILE 41 1HG2 ILE 41 -7.760 -10.949 -2.244 331 HG22 ILE 41 2HG2 ILE 41 -8.998 -10.268 -1.179 332 HG23 ILE 41 3HG2 ILE 41 -8.493 -11.953 -0.982 333 HD11 ILE 41 1HD1 ILE 41 -11.017 -11.460 -5.285 334 HD12 ILE 41 2HD1 ILE 41 -12.150 -11.077 -3.963 335 HD13 ILE 41 3HD1 ILE 41 -11.603 -9.814 -5.076 336 H VAL 42 H VAL 42 -9.036 -11.790 -5.714 337 HA VAL 42 HA VAL 42 -6.706 -12.975 -6.621 338 HB VAL 42 HB VAL 42 -6.472 -11.090 -8.151 339 HG11 VAL 42 1HG1 VAL 42 -9.390 -11.912 -7.804 340 HG12 VAL 42 2HG1 VAL 42 -8.611 -11.332 -9.296 341 HG13 VAL 42 3HG1 VAL 42 -8.124 -12.880 -8.598 342 HG21 VAL 42 1HG2 VAL 42 -8.000 -9.213 -8.200 343 HG22 VAL 42 2HG2 VAL 42 -8.739 -9.721 -6.639 344 HG23 VAL 42 3HG2 VAL 42 -7.050 -9.174 -6.729 345 H ASP 43 H ASP 43 -4.576 -12.849 -6.146 346 HA ASP 43 HA ASP 43 -3.734 -11.083 -3.993 347 HB2 ASP 43 1HB ASP 43 -1.813 -12.501 -3.950 348 HB3 ASP 43 2HB ASP 43 -3.258 -13.497 -3.899 349 H ILE 44 H ILE 44 -1.336 -10.287 -4.398 350 HA ILE 44 HA ILE 44 -1.127 -9.162 -7.111 351 HB ILE 44 HB ILE 44 -2.157 -7.550 -5.584 352 HG12 ILE 44 1HG1 ILE 44 0.679 -6.688 -6.261 353 HG13 ILE 44 2HG1 ILE 44 -0.618 -6.870 -7.446 354 HG21 ILE 44 1HG2 ILE 44 -1.189 -8.349 -3.435 355 HG22 ILE 44 2HG2 ILE 44 0.404 -7.743 -3.934 356 HG23 ILE 44 3HG2 ILE 44 -0.937 -6.622 -3.665 357 HD11 ILE 44 1HD1 ILE 44 -0.388 -4.561 -6.821 358 HD12 ILE 44 2HD1 ILE 44 -1.953 -5.171 -6.250 359 HD13 ILE 44 3HD1 ILE 44 -0.604 -4.926 -5.105 360 H ASP 45 H ASP 45 0.918 -8.681 -7.814 361 HA ASP 45 HA ASP 45 2.984 -10.544 -6.953 362 HB2 ASP 45 1HB ASP 45 2.820 -8.352 -9.065 363 HB3 ASP 45 2HB ASP 45 4.306 -9.249 -8.730 364 H LYS 46 H LYS 46 5.219 -9.631 -6.490 365 HA LYS 46 HA LYS 46 4.985 -7.774 -4.220 366 HB2 LYS 46 1HB LYS 46 7.211 -9.462 -5.436 367 HB3 LYS 46 2HB LYS 46 7.576 -8.175 -4.279 368 HG2 LYS 46 1HG LYS 46 7.301 -10.004 -2.862 369 HG3 LYS 46 2HG LYS 46 5.748 -9.200 -2.777 370 HD2 LYS 46 1HD LYS 46 5.027 -10.944 -4.668 371 HD3 LYS 46 2HD LYS 46 6.504 -11.756 -4.191 372 HE2 LYS 46 1HE LYS 46 4.771 -12.770 -2.952 373 HE3 LYS 46 2HE LYS 46 5.612 -11.720 -1.800 374 HZ1 LYS 46 1HZ LYS 46 3.123 -11.690 -1.810 375 HZ2 LYS 46 2HZ LYS 46 3.169 -10.851 -3.212 376 HZ3 LYS 46 3HZ LYS 46 3.832 -10.241 -1.811 377 H ARG 47 H ARG 47 4.584 -5.693 -4.722 378 HA ARG 47 HA ARG 47 6.344 -4.431 -6.772 379 HB2 ARG 47 1HB ARG 47 3.339 -4.160 -6.453 380 HB3 ARG 47 2HB ARG 47 4.311 -3.172 -7.545 381 HG2 ARG 47 1HG ARG 47 4.288 -6.229 -7.767 382 HG3 ARG 47 2HG ARG 47 3.077 -5.251 -8.485 383 HD2 ARG 47 1HD ARG 47 5.918 -4.547 -9.095 384 HD3 ARG 47 2HD ARG 47 5.181 -5.985 -9.815 385 HE ARG 47 HE ARG 47 3.360 -3.827 -10.077 386 HH11 ARG 47 1HH1 ARG 47 6.253 -5.245 -11.548 387 HH12 ARG 47 2HH1 ARG 47 5.856 -4.669 -13.146 388 HH21 ARG 47 1HH2 ARG 47 2.911 -2.986 -12.147 389 HH22 ARG 47 2HH2 ARG 47 3.918 -3.413 -13.475 390 H LYS 48 H LYS 48 6.318 -2.078 -6.684 391 HA LYS 48 HA LYS 48 6.272 -1.049 -3.887 392 HB2 LYS 48 1HB LYS 48 7.819 -0.054 -6.325 393 HB3 LYS 48 2HB LYS 48 7.915 0.605 -4.702 394 HG2 LYS 48 1HG LYS 48 8.744 -1.646 -3.981 395 HG3 LYS 48 2HG LYS 48 8.790 -2.141 -5.651 396 HD2 LYS 48 1HD LYS 48 10.548 -0.489 -6.104 397 HD3 LYS 48 2HD LYS 48 10.330 0.200 -4.479 398 HE2 LYS 48 1HE LYS 48 10.792 -2.271 -3.676 399 HE3 LYS 48 2HE LYS 48 11.525 -2.476 -5.275 400 HZ1 LYS 48 1HZ LYS 48 12.263 -0.580 -3.152 401 HZ2 LYS 48 2HZ LYS 48 12.965 -0.567 -4.674 402 HZ3 LYS 48 3HZ LYS 48 13.157 -1.852 -3.690 403 H TYR 49 H TYR 49 4.280 -0.045 -3.660 404 HA TYR 49 HA TYR 49 2.989 1.175 -6.054 405 HB2 TYR 49 2HB TYR 49 2.087 -0.101 -3.511 406 HB3 TYR 49 3HB TYR 49 1.216 1.332 -3.962 407 HD1 TYR 49 1HD TYR 49 2.694 -1.490 -6.036 408 HD2 TYR 49 2HD TYR 49 -0.828 0.742 -4.935 409 HE1 TYR 49 1HE TYR 49 1.390 -2.721 -7.729 410 HE2 TYR 49 2HE TYR 49 -2.153 -0.532 -6.596 411 HH TYR 49 HH TYR 49 -2.119 -2.518 -7.961 412 H LEU 50 H LEU 50 3.022 3.284 -6.337 413 HA LEU 50 HA LEU 50 4.086 5.066 -4.194 414 HB2 LEU 50 1HB LEU 50 4.416 5.245 -7.226 415 HB3 LEU 50 2HB LEU 50 4.899 6.455 -6.061 416 HG LEU 50 HG LEU 50 6.407 4.470 -5.074 417 HD11 LEU 50 1HD1 LEU 50 7.316 2.953 -6.604 418 HD12 LEU 50 2HD1 LEU 50 6.230 3.527 -7.905 419 HD13 LEU 50 3HD1 LEU 50 5.582 2.724 -6.479 420 HD21 LEU 50 1HD2 LEU 50 7.312 6.562 -6.036 421 HD22 LEU 50 2HD2 LEU 50 7.021 5.956 -7.672 422 HD23 LEU 50 3HD2 LEU 50 8.240 5.171 -6.640 423 H VAL 51 H VAL 51 2.341 6.326 -3.424 424 HA VAL 51 HA VAL 51 0.243 7.121 -5.445 425 HB VAL 51 HB VAL 51 -1.080 7.632 -3.308 426 HG11 VAL 51 1HG1 VAL 51 -1.126 4.837 -4.334 427 HG12 VAL 51 2HG1 VAL 51 -2.396 5.752 -3.505 428 HG13 VAL 51 3HG1 VAL 51 -1.857 6.280 -5.095 429 HG21 VAL 51 1HG2 VAL 51 -0.909 5.921 -1.541 430 HG22 VAL 51 2HG2 VAL 51 0.471 5.177 -2.361 431 HG23 VAL 51 3HG2 VAL 51 0.615 6.809 -1.664 432 HA PRO 52 HA PRO 52 1.667 11.213 -4.598 433 HB2 PRO 52 2HB PRO 52 -0.371 12.779 -5.484 434 HB3 PRO 52 3HB PRO 52 0.670 11.835 -6.606 435 HG2 PRO 52 2HG PRO 52 -2.031 11.092 -5.501 436 HG3 PRO 52 3HG PRO 52 -1.560 11.037 -7.163 437 HD2 PRO 52 2HD PRO 52 -1.469 8.798 -5.577 438 HD3 PRO 52 3HD PRO 52 -0.155 9.081 -6.768 439 H SER 53 H SER 53 1.724 12.278 -2.770 440 HA SER 53 HA SER 53 0.191 11.739 -0.478 441 HB2 SER 53 1HB SER 53 1.386 13.794 0.413 442 HB3 SER 53 2HB SER 53 2.407 12.515 -0.231 443 HG SER 53 HG SER 53 2.503 13.791 -2.236 444 H ASP 54 H ASP 54 -0.708 13.668 -3.103 445 HA ASP 54 HA ASP 54 -2.253 15.690 -1.733 446 HB2 ASP 54 1HB ASP 54 -1.098 15.929 -3.938 447 HB3 ASP 54 2HB ASP 54 -2.283 14.816 -4.641 448 H ILE 55 H ILE 55 -3.037 12.491 -3.239 449 HA ILE 55 HA ILE 55 -5.893 13.037 -2.984 450 HB ILE 55 HB ILE 55 -6.211 10.814 -3.841 451 HG12 ILE 55 1HG1 ILE 55 -3.479 10.048 -4.573 452 HG13 ILE 55 2HG1 ILE 55 -3.607 10.210 -2.839 453 HG21 ILE 55 1HG2 ILE 55 -5.580 12.976 -5.150 454 HG22 ILE 55 2HG2 ILE 55 -4.118 12.098 -5.582 455 HG23 ILE 55 3HG2 ILE 55 -5.755 11.474 -5.979 456 HD11 ILE 55 1HD1 ILE 55 -4.023 7.932 -3.662 457 HD12 ILE 55 2HD1 ILE 55 -5.413 8.591 -2.797 458 HD13 ILE 55 3HD1 ILE 55 -5.430 8.509 -4.577 459 H THR 56 H THR 56 -7.373 11.281 -1.975 460 HA THR 56 HA THR 56 -6.590 10.948 0.839 461 HB THR 56 HB THR 56 -9.147 10.703 1.015 462 HG1 THR 56 1HG THR 56 -10.236 11.527 -0.931 463 HG21 THR 56 1HG2 THR 56 -8.070 13.318 -0.130 464 HG22 THR 56 2HG2 THR 56 -8.118 12.845 1.582 465 HG23 THR 56 3HG2 THR 56 -9.627 13.117 0.699 466 H VAL 57 H VAL 57 -7.571 9.086 1.967 467 HA VAL 57 HA VAL 57 -6.721 6.591 0.933 468 HB VAL 57 HB VAL 57 -8.716 7.319 3.106 469 HG11 VAL 57 1HG1 VAL 57 -7.417 4.600 2.645 470 HG12 VAL 57 2HG1 VAL 57 -8.428 5.067 4.034 471 HG13 VAL 57 3HG1 VAL 57 -9.139 4.963 2.429 472 HG21 VAL 57 1HG2 VAL 57 -5.820 6.413 3.282 473 HG22 VAL 57 2HG2 VAL 57 -6.368 8.086 3.492 474 HG23 VAL 57 3HG2 VAL 57 -6.870 6.852 4.647 475 H ALA 58 H ALA 58 -9.905 8.224 0.667 476 HA ALA 58 HA ALA 58 -11.391 6.035 -0.354 477 HB1 ALA 58 1HB ALA 58 -12.842 7.812 -1.310 478 HB2 ALA 58 2HB ALA 58 -12.415 8.207 0.361 479 HB3 ALA 58 3HB ALA 58 -11.602 9.030 -0.978 480 H GLN 59 H GLN 59 -9.484 8.570 -2.056 481 HA GLN 59 HA GLN 59 -10.011 7.647 -4.688 482 HB2 GLN 59 1HB GLN 59 -7.644 9.164 -3.547 483 HB3 GLN 59 2HB GLN 59 -7.990 9.034 -5.267 484 HG2 GLN 59 1HG GLN 59 -10.048 10.243 -3.367 485 HG3 GLN 59 2HG GLN 59 -8.667 11.179 -3.917 486 HE21 GLN 59 1HE2 GLN 59 -11.379 10.056 -6.827 487 HE22 GLN 59 2HE2 GLN 59 -11.277 9.078 -5.366 488 H PHE 60 H PHE 60 -7.307 6.954 -2.417 489 HA PHE 60 HA PHE 60 -5.865 5.261 -4.155 490 HB2 PHE 60 2HB PHE 60 -4.985 6.170 -2.034 491 HB3 PHE 60 3HB PHE 60 -6.102 5.166 -1.122 492 HD1 PHE 60 1HD PHE 60 -4.448 4.060 0.213 493 HD2 PHE 60 2HD PHE 60 -4.124 3.930 -4.100 494 HE1 PHE 60 1HE PHE 60 -2.593 2.467 0.393 495 HE2 PHE 60 2HE PHE 60 -2.252 2.352 -3.905 496 HZ PHE 60 HZ PHE 60 -1.459 1.608 -1.672 497 H MET 61 H MET 61 -8.414 4.417 -1.730 498 HA MET 61 HA MET 61 -8.484 1.653 -2.087 499 HB2 MET 61 1HB MET 61 -9.536 2.865 -0.248 500 HB3 MET 61 2HB MET 61 -10.622 3.692 -1.370 501 HG2 MET 61 1HG MET 61 -11.527 1.434 -2.025 502 HG3 MET 61 2HG MET 61 -10.611 0.738 -0.689 503 HE1 MET 61 1HE MET 61 -13.556 0.150 -0.748 504 HE2 MET 61 2HE MET 61 -14.706 1.464 -0.373 505 HE3 MET 61 3HE MET 61 -13.732 1.540 -1.856 506 H TRP 62 H TRP 62 -10.448 4.186 -3.787 507 HA TRP 62 HA TRP 62 -11.839 2.410 -5.469 508 HB2 TRP 62 2HB TRP 62 -11.259 5.361 -5.545 509 HB3 TRP 62 3HB TRP 62 -11.902 4.573 -6.971 510 HD1 TRP 62 HD1 TRP 62 -12.875 4.837 -3.227 511 HE1 TRP 62 1HE TRP 62 -15.392 4.900 -3.004 512 HE3 TRP 62 3HE TRP 62 -14.085 4.272 -8.164 513 HZ2 TRP 62 2HZ TRP 62 -17.709 4.555 -4.757 514 HZ3 TRP 62 3HZ TRP 62 -16.462 4.108 -8.850 515 HH2 TRP 62 HH2 TRP 62 -18.281 4.227 -7.152 516 H ILE 63 H ILE 63 -8.580 4.020 -5.933 517 HA ILE 63 HA ILE 63 -8.411 2.924 -8.576 518 HB ILE 63 HB ILE 63 -6.081 3.761 -6.840 519 HG12 ILE 63 1HG1 ILE 63 -7.235 5.397 -9.114 520 HG13 ILE 63 2HG1 ILE 63 -8.012 5.510 -7.555 521 HG21 ILE 63 1HG2 ILE 63 -6.457 3.000 -9.774 522 HG22 ILE 63 2HG2 ILE 63 -5.161 4.084 -9.327 523 HG23 ILE 63 3HG2 ILE 63 -5.211 2.450 -8.636 524 HD11 ILE 63 1HD1 ILE 63 -6.411 7.280 -7.705 525 HD12 ILE 63 2HD1 ILE 63 -5.811 6.122 -6.510 526 HD13 ILE 63 3HD1 ILE 63 -5.107 6.165 -8.145 527 H ILE 64 H ILE 64 -7.222 1.644 -5.378 528 HA ILE 64 HA ILE 64 -5.937 -0.658 -6.367 529 HB ILE 64 HB ILE 64 -7.534 -0.229 -3.811 530 HG12 ILE 64 1HG1 ILE 64 -4.524 -0.451 -3.919 531 HG13 ILE 64 2HG1 ILE 64 -5.258 1.070 -4.397 532 HG21 ILE 64 1HG2 ILE 64 -6.235 -2.192 -2.874 533 HG22 ILE 64 2HG2 ILE 64 -7.420 -2.640 -4.093 534 HG23 ILE 64 3HG2 ILE 64 -5.703 -2.553 -4.519 535 HD11 ILE 64 1HD1 ILE 64 -4.638 0.923 -1.951 536 HD12 ILE 64 2HD1 ILE 64 -6.312 1.375 -2.256 537 HD13 ILE 64 3HD1 ILE 64 -5.928 -0.266 -1.746 538 H ARG 65 H ARG 65 -9.413 -0.386 -5.390 539 HA ARG 65 HA ARG 65 -10.033 -3.040 -6.291 540 HB2 ARG 65 1HB ARG 65 -12.405 -2.404 -6.033 541 HB3 ARG 65 2HB ARG 65 -11.435 -1.891 -4.653 542 HG2 ARG 65 1HG ARG 65 -12.436 0.148 -4.904 543 HG3 ARG 65 2HG ARG 65 -11.240 0.299 -6.136 544 HD2 ARG 65 1HD ARG 65 -13.276 1.120 -6.995 545 HD3 ARG 65 2HD ARG 65 -12.734 -0.276 -7.926 546 HE ARG 65 HE ARG 65 -14.321 -1.600 -6.431 547 HH11 ARG 65 1HH1 ARG 65 -15.050 1.798 -7.297 548 HH12 ARG 65 2HH1 ARG 65 -16.727 1.493 -7.549 549 HH21 ARG 65 1HH2 ARG 65 -16.593 -1.946 -6.809 550 HH22 ARG 65 2HH2 ARG 65 -17.608 -0.525 -7.091 551 H LYS 66 H LYS 66 -9.892 0.012 -8.039 552 HA LYS 66 HA LYS 66 -11.335 -0.929 -10.317 553 HB2 LYS 66 1HB LYS 66 -9.388 1.351 -9.857 554 HB3 LYS 66 2HB LYS 66 -9.961 1.015 -11.458 555 HG2 LYS 66 1HG LYS 66 -12.044 1.284 -9.299 556 HG3 LYS 66 2HG LYS 66 -11.178 2.735 -9.768 557 HD2 LYS 66 1HD LYS 66 -12.657 0.972 -11.742 558 HD3 LYS 66 2HD LYS 66 -13.362 2.355 -10.910 559 HE2 LYS 66 1HE LYS 66 -11.471 3.790 -11.782 560 HE3 LYS 66 2HE LYS 66 -10.938 2.421 -12.770 561 HZ1 LYS 66 1HZ LYS 66 -12.306 3.996 -13.954 562 HZ2 LYS 66 2HZ LYS 66 -13.594 3.721 -12.970 563 HZ3 LYS 66 3HZ LYS 66 -13.027 2.523 -13.958 564 H ARG 67 H ARG 67 -7.816 -0.688 -9.531 565 HA ARG 67 HA ARG 67 -6.741 -1.689 -11.913 566 HB2 ARG 67 1HB ARG 67 -5.776 -1.677 -9.016 567 HB3 ARG 67 2HB ARG 67 -4.763 -2.182 -10.339 568 HG2 ARG 67 1HG ARG 67 -6.033 0.576 -10.201 569 HG3 ARG 67 2HG ARG 67 -4.469 0.207 -9.489 570 HD2 ARG 67 1HD ARG 67 -5.153 -0.012 -12.449 571 HD3 ARG 67 2HD ARG 67 -4.403 1.364 -11.655 572 HE ARG 67 HE ARG 67 -2.396 0.291 -11.434 573 HH11 ARG 67 1HH1 ARG 67 -4.693 -1.815 -13.157 574 HH12 ARG 67 2HH1 ARG 67 -3.612 -3.163 -13.239 575 HH21 ARG 67 1HH2 ARG 67 -0.864 -1.308 -11.862 576 HH22 ARG 67 2HH2 ARG 67 -1.293 -2.761 -12.713 577 H ILE 68 H ILE 68 -7.392 -3.463 -8.822 578 HA ILE 68 HA ILE 68 -6.747 -5.973 -10.119 579 HB ILE 68 HB ILE 68 -7.204 -7.003 -8.035 580 HG12 ILE 68 1HG1 ILE 68 -8.740 -4.496 -7.366 581 HG13 ILE 68 2HG1 ILE 68 -9.260 -6.170 -7.292 582 HG21 ILE 68 1HG2 ILE 68 -5.883 -4.341 -7.377 583 HG22 ILE 68 2HG2 ILE 68 -5.594 -5.945 -6.656 584 HG23 ILE 68 3HG2 ILE 68 -5.116 -5.645 -8.316 585 HD11 ILE 68 1HD1 ILE 68 -7.279 -4.861 -5.371 586 HD12 ILE 68 2HD1 ILE 68 -8.966 -5.215 -5.048 587 HD13 ILE 68 3HD1 ILE 68 -7.828 -6.557 -5.313 588 H GLN 69 H GLN 69 -9.298 -4.057 -10.677 589 HA GLN 69 HA GLN 69 -11.465 -4.235 -11.288 590 HB2 GLN 69 1HB GLN 69 -10.423 -6.807 -12.522 591 HB3 GLN 69 2HB GLN 69 -11.854 -5.888 -13.022 592 HG2 GLN 69 1HG GLN 69 -10.311 -3.965 -13.600 593 HG3 GLN 69 2HG GLN 69 -8.950 -5.041 -13.276 594 HE21 GLN 69 1HE2 GLN 69 -11.096 -5.517 -16.734 595 HE22 GLN 69 2HE2 GLN 69 -11.467 -4.235 -15.583 596 H LEU 70 H LEU 70 -11.619 -4.670 -8.846 597 HA LEU 70 HA LEU 70 -12.329 -7.196 -7.839 598 HB2 LEU 70 1HB LEU 70 -11.715 -4.976 -6.660 599 HB3 LEU 70 2HB LEU 70 -13.423 -4.595 -6.736 600 HG LEU 70 HG LEU 70 -13.060 -5.444 -4.575 601 HD11 LEU 70 1HD1 LEU 70 -14.315 -7.389 -4.321 602 HD12 LEU 70 2HD1 LEU 70 -14.005 -7.956 -5.954 603 HD13 LEU 70 3HD1 LEU 70 -15.016 -6.518 -5.700 604 HD21 LEU 70 1HD2 LEU 70 -11.866 -7.559 -4.085 605 HD22 LEU 70 2HD2 LEU 70 -10.836 -6.349 -4.841 606 HD23 LEU 70 3HD2 LEU 70 -11.438 -7.702 -5.809 607 HA PRO 71 HA PRO 71 -16.257 -7.380 -10.160 608 HB2 PRO 71 2HB PRO 71 -16.990 -9.933 -9.474 609 HB3 PRO 71 3HB PRO 71 -15.698 -9.570 -10.655 610 HG2 PRO 71 2HG PRO 71 -15.383 -10.180 -7.701 611 HG3 PRO 71 3HG PRO 71 -14.529 -10.938 -9.092 612 HD2 PRO 71 2HD PRO 71 -13.415 -8.954 -7.684 613 HD3 PRO 71 3HD PRO 71 -13.249 -8.982 -9.443 614 H SER 72 H SER 72 -18.559 -7.845 -9.724 615 HA SER 72 HA SER 72 -19.530 -6.562 -7.379 616 HB2 SER 72 1HB SER 72 -20.642 -8.024 -9.743 617 HB3 SER 72 2HB SER 72 -21.637 -8.098 -8.289 618 HG SER 72 HG SER 72 -22.305 -6.304 -8.970 619 H GLU 73 H GLU 73 -18.703 -9.964 -7.998 620 HA GLU 73 HA GLU 73 -20.332 -11.086 -5.946 621 HB2 GLU 73 1HB GLU 73 -18.741 -13.023 -6.103 622 HB3 GLU 73 2HB GLU 73 -19.598 -12.577 -7.567 623 HG2 GLU 73 1HG GLU 73 -17.655 -11.607 -8.504 624 HG3 GLU 73 2HG GLU 73 -16.733 -11.793 -7.017 625 H LYS 74 H LYS 74 -16.873 -10.023 -5.807 626 HA LYS 74 HA LYS 74 -16.968 -10.548 -2.881 627 HB2 LYS 74 1HB LYS 74 -14.548 -9.917 -4.612 628 HB3 LYS 74 2HB LYS 74 -14.532 -10.442 -2.940 629 HG2 LYS 74 1HG LYS 74 -15.493 -12.101 -5.304 630 HG3 LYS 74 2HG LYS 74 -13.955 -12.265 -4.522 631 HD2 LYS 74 1HD LYS 74 -16.601 -12.755 -3.099 632 HD3 LYS 74 2HD LYS 74 -15.657 -13.981 -3.928 633 HE2 LYS 74 1HE LYS 74 -13.686 -13.416 -2.485 634 HE3 LYS 74 2HE LYS 74 -14.697 -12.290 -1.566 635 HZ1 LYS 74 1HZ LYS 74 -14.460 -14.533 -0.569 636 HZ2 LYS 74 2HZ LYS 74 -15.261 -15.173 -1.858 637 HZ3 LYS 74 3HZ LYS 74 -16.044 -14.161 -0.864 638 H ALA 75 H ALA 75 -15.694 -9.076 -1.486 639 HA ALA 75 HA ALA 75 -16.428 -6.222 -1.939 640 HB1 ALA 75 1HB ALA 75 -16.349 -6.138 0.583 641 HB2 ALA 75 2HB ALA 75 -17.601 -7.221 -0.021 642 HB3 ALA 75 3HB ALA 75 -16.090 -7.898 0.582 643 H ILE 76 H ILE 76 -14.724 -4.910 -0.316 644 HA ILE 76 HA ILE 76 -12.047 -6.026 -0.572 645 HB ILE 76 HB ILE 76 -12.279 -4.679 -2.583 646 HG12 ILE 76 1HG1 ILE 76 -10.466 -2.941 -2.003 647 HG13 ILE 76 2HG1 ILE 76 -10.491 -3.551 -0.381 648 HG21 ILE 76 1HG2 ILE 76 -12.943 -2.289 -0.821 649 HG22 ILE 76 2HG2 ILE 76 -12.698 -2.283 -2.577 650 HG23 ILE 76 3HG2 ILE 76 -14.085 -3.133 -1.889 651 HD11 ILE 76 1HD1 ILE 76 -9.921 -5.191 -2.884 652 HD12 ILE 76 2HD1 ILE 76 -8.713 -4.577 -1.744 653 HD13 ILE 76 3HD1 ILE 76 -9.875 -5.809 -1.214 654 H PHE 77 H PHE 77 -10.866 -5.580 1.131 655 HA PHE 77 HA PHE 77 -11.793 -3.666 3.197 656 HB2 PHE 77 2HB PHE 77 -10.924 -6.538 3.701 657 HB3 PHE 77 3HB PHE 77 -11.286 -5.329 4.927 658 HD1 PHE 77 1HD PHE 77 -12.709 -7.653 2.467 659 HD2 PHE 77 2HD PHE 77 -13.623 -4.584 5.344 660 HE1 PHE 77 1HE PHE 77 -15.102 -8.332 2.441 661 HE2 PHE 77 2HE PHE 77 -16.005 -5.270 5.301 662 HZ PHE 77 HZ PHE 77 -16.756 -7.107 3.823 663 H LEU 78 H LEU 78 -10.099 -2.479 3.931 664 HA LEU 78 HA LEU 78 -7.308 -3.238 3.190 665 HB2 LEU 78 1HB LEU 78 -8.698 -0.530 3.395 666 HB3 LEU 78 2HB LEU 78 -6.946 -0.692 3.347 667 HG LEU 78 HG LEU 78 -8.722 -1.830 1.148 668 HD11 LEU 78 1HD1 LEU 78 -9.138 0.593 1.298 669 HD12 LEU 78 2HD1 LEU 78 -8.209 0.195 -0.160 670 HD13 LEU 78 3HD1 LEU 78 -7.395 0.917 1.247 671 HD21 LEU 78 1HD2 LEU 78 -5.794 -0.978 1.130 672 HD22 LEU 78 2HD2 LEU 78 -6.686 -1.819 -0.172 673 HD23 LEU 78 3HD2 LEU 78 -6.333 -2.646 1.343 674 H PHE 79 H PHE 79 -5.776 -3.009 4.814 675 HA PHE 79 HA PHE 79 -6.630 -2.098 7.521 676 HB2 PHE 79 2HB PHE 79 -5.066 -4.639 6.988 677 HB3 PHE 79 3HB PHE 79 -5.772 -4.109 8.507 678 HD1 PHE 79 1HD PHE 79 -6.226 -6.054 5.485 679 HD2 PHE 79 2HD PHE 79 -8.363 -4.104 8.677 680 HE1 PHE 79 1HE PHE 79 -8.199 -7.495 5.045 681 HE2 PHE 79 2HE PHE 79 -10.337 -5.542 8.231 682 HZ PHE 79 HZ PHE 79 -10.235 -7.270 6.436 683 H VAL 80 H VAL 80 -5.016 -0.726 8.357 684 HA VAL 80 HA VAL 80 -2.240 -1.040 7.314 685 HB VAL 80 HB VAL 80 -3.457 0.738 6.144 686 HG11 VAL 80 1HG1 VAL 80 -3.552 2.224 8.785 687 HG12 VAL 80 2HG1 VAL 80 -4.023 2.842 7.219 688 HG13 VAL 80 3HG1 VAL 80 -4.961 1.531 7.962 689 HG21 VAL 80 1HG2 VAL 80 -1.709 2.430 6.393 690 HG22 VAL 80 2HG2 VAL 80 -1.178 1.702 7.907 691 HG23 VAL 80 3HG2 VAL 80 -1.020 0.807 6.376 692 H ASP 81 H ASP 81 -0.807 -1.315 8.965 693 HA ASP 81 HA ASP 81 -0.159 -1.765 11.107 694 HB2 ASP 81 1HB ASP 81 0.457 0.594 10.684 695 HB3 ASP 81 2HB ASP 81 -1.036 1.115 11.465 696 H LYS 82 H LYS 82 -2.648 -2.792 10.649 697 HA LYS 82 HA LYS 82 -4.326 -3.881 11.732 698 HB2 LYS 82 1HB LYS 82 -2.244 -3.772 13.586 699 HB3 LYS 82 2HB LYS 82 -3.580 -3.120 14.501 700 HG2 LYS 82 1HG LYS 82 -3.765 -5.368 14.954 701 HG3 LYS 82 2HG LYS 82 -4.887 -5.189 13.601 702 HD2 LYS 82 1HD LYS 82 -3.766 -7.122 13.074 703 HD3 LYS 82 2HD LYS 82 -2.885 -5.959 12.098 704 HE2 LYS 82 1HE LYS 82 -1.995 -6.867 14.887 705 HE3 LYS 82 2HE LYS 82 -1.588 -7.763 13.430 706 HZ1 LYS 82 1HZ LYS 82 -0.705 -4.984 13.992 707 HZ2 LYS 82 2HZ LYS 82 -0.445 -5.796 12.596 708 HZ3 LYS 82 3HZ LYS 82 0.227 -6.340 13.955 709 H THR 83 H THR 83 -4.549 -0.889 11.115 710 HA THR 83 HA THR 83 -6.901 -0.313 12.815 711 HB THR 83 HB THR 83 -6.420 1.996 12.708 712 HG1 THR 83 1HG THR 83 -4.245 1.330 10.996 713 HG21 THR 83 1HG2 THR 83 -4.451 2.219 13.985 714 HG22 THR 83 2HG2 THR 83 -3.700 0.794 13.278 715 HG23 THR 83 3HG2 THR 83 -5.083 0.607 14.384 716 H VAL 84 H VAL 84 -8.449 1.174 11.824 717 HA VAL 84 HA VAL 84 -9.170 0.389 9.090 718 HB VAL 84 HB VAL 84 -10.755 -0.203 10.737 719 HG11 VAL 84 1HG1 VAL 84 -10.155 1.179 12.666 720 HG12 VAL 84 2HG1 VAL 84 -10.820 2.619 11.865 721 HG13 VAL 84 3HG1 VAL 84 -11.873 1.274 12.314 722 HG21 VAL 84 1HG2 VAL 84 -11.801 0.641 8.750 723 HG22 VAL 84 2HG2 VAL 84 -12.777 1.086 10.139 724 HG23 VAL 84 3HG2 VAL 84 -11.746 2.304 9.361 725 HA PRO 85 HA PRO 85 -7.600 4.650 8.476 726 HB2 PRO 85 2HB PRO 85 -7.070 4.580 5.820 727 HB3 PRO 85 3HB PRO 85 -6.052 3.762 7.033 728 HG2 PRO 85 2HG PRO 85 -8.218 2.532 5.296 729 HG3 PRO 85 3HG PRO 85 -6.564 1.919 5.607 730 HD2 PRO 85 2HD PRO 85 -8.782 1.044 6.990 731 HD3 PRO 85 3HD PRO 85 -7.157 1.120 7.717 732 H GLN 86 H GLN 86 -8.986 6.313 8.424 733 HA GLN 86 HA GLN 86 -11.626 6.173 7.388 734 HB2 GLN 86 1HB GLN 86 -11.232 7.713 9.181 735 HB3 GLN 86 2HB GLN 86 -9.874 8.479 8.333 736 HG2 GLN 86 1HG GLN 86 -11.362 9.414 6.669 737 HG3 GLN 86 2HG GLN 86 -12.752 8.573 7.340 738 HE21 GLN 86 1HE2 GLN 86 -11.082 11.790 9.390 739 HE22 GLN 86 2HE2 GLN 86 -10.128 10.627 8.505 740 H SER 87 H SER 87 -12.330 6.419 5.364 741 HA SER 87 HA SER 87 -10.745 6.619 3.097 742 HB2 SER 87 1HB SER 87 -12.893 6.866 1.928 743 HB3 SER 87 2HB SER 87 -12.968 5.652 3.203 744 HG SER 87 HG SER 87 -14.636 6.763 3.852 745 H SER 88 H SER 88 -12.081 9.235 5.046 746 HA SER 88 HA SER 88 -11.643 11.298 3.033 747 HB2 SER 88 1HB SER 88 -13.623 11.147 4.493 748 HB3 SER 88 2HB SER 88 -12.605 11.329 5.922 749 HG SER 88 HG SER 88 -12.858 13.271 3.853 750 H LEU 89 H LEU 89 -9.466 9.636 5.105 751 HA LEU 89 HA LEU 89 -8.019 12.014 5.953 752 HB2 LEU 89 1HB LEU 89 -8.130 9.843 7.239 753 HB3 LEU 89 2HB LEU 89 -7.214 9.074 5.939 754 HG LEU 89 HG LEU 89 -5.274 10.482 6.330 755 HD11 LEU 89 1HD1 LEU 89 -6.936 11.869 8.475 756 HD12 LEU 89 2HD1 LEU 89 -6.248 12.615 7.020 757 HD13 LEU 89 3HD1 LEU 89 -5.175 12.043 8.274 758 HD21 LEU 89 1HD2 LEU 89 -4.596 9.661 8.510 759 HD22 LEU 89 2HD2 LEU 89 -5.630 8.439 7.771 760 HD23 LEU 89 3HD2 LEU 89 -6.293 9.474 9.026 761 H THR 90 H THR 90 -6.056 12.786 5.006 762 HA THR 90 HA THR 90 -5.895 12.258 2.155 763 HB THR 90 HB THR 90 -4.141 14.175 3.672 764 HG1 THR 90 1HG THR 90 -5.692 15.654 3.700 765 HG21 THR 90 1HG2 THR 90 -5.513 14.136 0.939 766 HG22 THR 90 2HG2 THR 90 -3.777 13.923 1.241 767 HG23 THR 90 3HG2 THR 90 -4.540 15.491 1.545 768 H MET 91 H MET 91 -3.884 11.615 1.079 769 HA MET 91 HA MET 91 -2.580 9.486 2.325 770 HB2 MET 91 1HB MET 91 -2.090 11.104 -0.200 771 HB3 MET 91 2HB MET 91 -0.857 9.962 0.320 772 HG2 MET 91 1HG MET 91 -3.750 9.252 -0.261 773 HG3 MET 91 2HG MET 91 -2.368 8.981 -1.321 774 HE1 MET 91 1HE MET 91 -4.707 7.017 0.203 775 HE2 MET 91 2HE MET 91 -4.038 6.070 1.556 776 HE3 MET 91 3HE MET 91 -4.368 7.810 1.760 777 H GLY 92 H GLY 92 -1.351 12.836 1.691 778 HA2 GLY 92 1HA GLY 92 1.189 12.559 2.789 779 HA3 GLY 92 2HA GLY 92 0.232 14.050 2.828 780 H GLN 93 H GLN 93 -1.875 13.322 4.528 781 HA GLN 93 HA GLN 93 -0.698 13.614 7.104 782 HB2 GLN 93 1HB GLN 93 -3.514 13.130 6.052 783 HB3 GLN 93 2HB GLN 93 -3.142 13.052 7.773 784 HG2 GLN 93 1HG GLN 93 -2.137 15.301 7.667 785 HG3 GLN 93 2HG GLN 93 -2.632 15.438 5.979 786 HE21 GLN 93 1HE2 GLN 93 -5.364 17.215 7.494 787 HE22 GLN 93 2HE2 GLN 93 -3.822 17.361 6.682 788 H LEU 94 H LEU 94 -2.355 10.835 5.515 789 HA LEU 94 HA LEU 94 -2.135 9.116 7.781 790 HB2 LEU 94 1HB LEU 94 -3.736 8.778 6.037 791 HB3 LEU 94 2HB LEU 94 -2.513 8.542 4.813 792 HG LEU 94 HG LEU 94 -2.481 6.799 7.296 793 HD11 LEU 94 1HD1 LEU 94 -4.868 6.811 6.545 794 HD12 LEU 94 2HD1 LEU 94 -4.088 5.247 6.464 795 HD13 LEU 94 3HD1 LEU 94 -4.334 6.196 4.969 796 HD21 LEU 94 1HD2 LEU 94 -1.959 6.175 4.336 797 HD22 LEU 94 2HD2 LEU 94 -1.728 5.072 5.732 798 HD23 LEU 94 3HD2 LEU 94 -0.708 6.474 5.559 799 H TYR 95 H TYR 95 0.018 9.649 5.036 800 HA TYR 95 HA TYR 95 1.943 7.636 5.580 801 HB2 TYR 95 2HB TYR 95 2.084 8.525 3.433 802 HB3 TYR 95 3HB TYR 95 1.812 10.175 3.961 803 HD1 TYR 95 1HD TYR 95 4.468 7.524 4.034 804 HD2 TYR 95 2HD TYR 95 3.535 11.732 4.148 805 HE1 TYR 95 1HE TYR 95 6.862 8.049 3.781 806 HE2 TYR 95 2HE TYR 95 5.929 12.275 3.949 807 HH TYR 95 HH TYR 95 8.037 11.315 3.256 808 H GLU 96 H GLU 96 2.066 11.231 6.231 809 HA GLU 96 HA GLU 96 4.442 11.083 7.729 810 HB2 GLU 96 1HB GLU 96 4.185 13.362 8.171 811 HB3 GLU 96 2HB GLU 96 3.354 13.134 6.634 812 HG2 GLU 96 1HG GLU 96 1.205 12.903 8.015 813 HG3 GLU 96 2HG GLU 96 2.128 13.412 9.422 814 H LYS 97 H LYS 97 1.120 10.442 8.764 815 HA LYS 97 HA LYS 97 1.952 10.621 11.569 816 HB2 LYS 97 1HB LYS 97 -0.193 10.632 12.236 817 HB3 LYS 97 2HB LYS 97 -0.192 11.594 10.778 818 HG2 LYS 97 1HG LYS 97 -2.043 10.381 10.224 819 HG3 LYS 97 2HG LYS 97 -0.865 9.211 9.697 820 HD2 LYS 97 1HD LYS 97 -2.405 7.963 10.891 821 HD3 LYS 97 2HD LYS 97 -1.094 8.157 12.052 822 HE2 LYS 97 1HE LYS 97 -3.731 9.708 11.927 823 HE3 LYS 97 2HE LYS 97 -3.331 8.405 13.047 824 HZ1 LYS 97 1HZ LYS 97 -3.019 10.405 14.188 825 HZ2 LYS 97 2HZ LYS 97 -2.104 11.095 12.991 826 HZ3 LYS 97 3HZ LYS 97 -1.540 9.810 13.892 827 H GLU 98 H GLU 98 1.024 8.017 9.222 828 HA GLU 98 HA GLU 98 1.294 6.077 11.437 829 HB2 GLU 98 1HB GLU 98 0.734 5.578 8.492 830 HB3 GLU 98 2HB GLU 98 0.664 4.402 9.808 831 HG2 GLU 98 1HG GLU 98 -1.040 6.013 10.918 832 HG3 GLU 98 2HG GLU 98 -1.179 6.766 9.349 833 H LYS 99 H LYS 99 3.488 7.546 9.286 834 HA LYS 99 HA LYS 99 5.209 5.846 8.308 835 HB2 LYS 99 1HB LYS 99 7.054 7.313 8.736 836 HB3 LYS 99 2HB LYS 99 5.636 8.186 8.246 837 HG2 LYS 99 1HG LYS 99 5.846 9.529 10.010 838 HG3 LYS 99 2HG LYS 99 5.586 8.188 11.103 839 HD2 LYS 99 1HD LYS 99 7.674 9.240 11.701 840 HD3 LYS 99 2HD LYS 99 8.074 7.688 10.946 841 HE2 LYS 99 1HE LYS 99 8.378 8.976 8.765 842 HE3 LYS 99 2HE LYS 99 8.136 10.469 9.678 843 HZ1 LYS 99 1HZ LYS 99 10.279 8.503 10.152 844 HZ2 LYS 99 2HZ LYS 99 10.105 9.912 10.965 845 HZ3 LYS 99 3HZ LYS 99 10.455 9.894 9.322 846 H ASP 100 H ASP 100 6.212 4.117 8.680 847 HA ASP 100 HA ASP 100 6.596 2.989 11.305 848 HB2 ASP 100 1HB ASP 100 6.014 1.799 9.065 849 HB3 ASP 100 2HB ASP 100 7.751 1.888 8.731 850 H GLU 101 H GLU 101 9.078 1.863 11.537 851 HA GLU 101 HA GLU 101 10.752 4.039 12.258 852 HB2 GLU 101 1HB GLU 101 12.462 2.489 12.715 853 HB3 GLU 101 2HB GLU 101 10.947 1.729 13.192 854 HG2 GLU 101 1HG GLU 101 10.996 0.286 11.216 855 HG3 GLU 101 2HG GLU 101 12.396 1.135 10.568 856 H ASP 102 H ASP 102 10.562 2.224 9.263 857 HA ASP 102 HA ASP 102 12.840 3.702 8.078 858 HB2 ASP 102 1HB ASP 102 11.188 1.357 7.097 859 HB3 ASP 102 2HB ASP 102 12.451 2.143 6.152 860 H GLY 103 H GLY 103 9.880 4.686 8.646 861 HA2 GLY 103 1HA GLY 103 8.466 6.176 7.781 862 HA3 GLY 103 2HA GLY 103 9.760 6.683 6.701 863 H PHE 104 H PHE 104 8.409 3.394 6.507 864 HA PHE 104 HA PHE 104 7.215 4.093 3.871 865 HB2 PHE 104 2HB PHE 104 7.732 1.999 3.090 866 HB3 PHE 104 3HB PHE 104 9.168 2.426 3.998 867 HD1 PHE 104 1HD PHE 104 6.907 -0.169 3.311 868 HD2 PHE 104 2HD PHE 104 9.033 1.577 6.635 869 HE1 PHE 104 1HE PHE 104 6.642 -2.268 4.597 870 HE2 PHE 104 2HE PHE 104 8.749 -0.521 7.916 871 HZ PHE 104 HZ PHE 104 7.531 -2.432 6.917 872 H LEU 105 H LEU 105 5.194 2.766 3.313 873 HA LEU 105 HA LEU 105 3.556 2.294 5.782 874 HB2 LEU 105 1HB LEU 105 3.068 4.379 4.455 875 HB3 LEU 105 2HB LEU 105 2.720 3.344 3.067 876 HG LEU 105 HG LEU 105 0.906 2.263 4.554 877 HD11 LEU 105 1HD1 LEU 105 0.016 3.797 6.351 878 HD12 LEU 105 2HD1 LEU 105 1.495 4.741 6.216 879 HD13 LEU 105 3HD1 LEU 105 1.544 3.043 6.744 880 HD21 LEU 105 1HD2 LEU 105 0.587 5.168 3.754 881 HD22 LEU 105 2HD2 LEU 105 -0.708 3.960 3.976 882 HD23 LEU 105 3HD2 LEU 105 0.441 3.767 2.668 883 H TYR 106 H TYR 106 2.506 0.332 5.901 884 HA TYR 106 HA TYR 106 2.527 -1.393 3.484 885 HB2 TYR 106 2HB TYR 106 2.974 -3.288 4.925 886 HB3 TYR 106 3HB TYR 106 4.261 -2.106 5.044 887 HD1 TYR 106 1HD TYR 106 4.621 -0.803 7.160 888 HD2 TYR 106 2HD TYR 106 1.438 -3.675 6.756 889 HE1 TYR 106 1HE TYR 106 4.213 -0.683 9.581 890 HE2 TYR 106 2HE TYR 106 1.037 -3.602 9.184 891 HH TYR 106 HH TYR 106 2.962 -1.512 11.384 892 H VAL 107 H VAL 107 0.526 -1.917 2.806 893 HA VAL 107 HA VAL 107 -1.658 -1.956 4.822 894 HB VAL 107 HB VAL 107 -1.814 0.093 3.638 895 HG11 VAL 107 1HG1 VAL 107 -0.662 -0.260 1.613 896 HG12 VAL 107 2HG1 VAL 107 -1.796 -1.505 1.072 897 HG13 VAL 107 3HG1 VAL 107 -2.310 0.200 1.201 898 HG21 VAL 107 1HG2 VAL 107 -3.990 -1.826 2.739 899 HG22 VAL 107 2HG2 VAL 107 -3.913 -0.918 4.267 900 HG23 VAL 107 3HG2 VAL 107 -4.092 -0.047 2.746 901 H ALA 108 H ALA 108 -3.053 -3.631 4.721 902 HA ALA 108 HA ALA 108 -2.367 -5.804 2.827 903 HB1 ALA 108 1HB ALA 108 -3.433 -6.009 5.671 904 HB2 ALA 108 2HB ALA 108 -3.041 -7.362 4.591 905 HB3 ALA 108 3HB ALA 108 -1.749 -6.302 5.183 906 H TYR 109 H TYR 109 -4.203 -7.005 1.982 907 HA TYR 109 HA TYR 109 -6.833 -5.842 2.603 908 HB2 TYR 109 2HB TYR 109 -7.424 -5.453 0.337 909 HB3 TYR 109 3HB TYR 109 -5.867 -4.698 0.568 910 HD1 TYR 109 1HD TYR 109 -7.751 -7.244 -1.258 911 HD2 TYR 109 2HD TYR 109 -3.783 -5.829 -0.346 912 HE1 TYR 109 1HE TYR 109 -6.871 -8.482 -3.209 913 HE2 TYR 109 2HE TYR 109 -2.889 -7.070 -2.288 914 HH TYR 109 HH TYR 109 -4.956 -9.132 -4.350 915 H SER 110 H SER 110 -8.665 -7.004 1.760 916 HA SER 110 HA SER 110 -8.403 -9.761 0.919 917 HB2 SER 110 1HB SER 110 -7.998 -10.033 3.334 918 HB3 SER 110 2HB SER 110 -9.484 -9.130 3.692 919 HG SER 110 HG SER 110 -9.567 -11.569 3.621 920 H GLY 111 H GLY 111 -10.732 -10.697 1.018 921 HA2 GLY 111 1HA GLY 111 -12.745 -8.701 0.109 922 HA3 GLY 111 2HA GLY 111 -12.526 -10.284 -0.650 923 H GLU 112 H GLU 112 -12.215 -10.200 2.905 924 HA GLU 112 HA GLU 112 -14.951 -11.247 3.261 925 HB2 GLU 112 1HB GLU 112 -12.331 -12.143 4.498 926 HB3 GLU 112 2HB GLU 112 -13.919 -12.746 4.962 927 HG2 GLU 112 1HG GLU 112 -14.193 -13.946 2.944 928 HG3 GLU 112 2HG GLU 112 -12.938 -13.049 2.103 929 H ASN 113 H ASN 113 -15.941 -10.376 4.879 930 HA ASN 113 HA ASN 113 -15.046 -8.014 6.234 931 HB2 ASN 113 1HB ASN 113 -17.423 -8.543 5.703 932 HB3 ASN 113 2HB ASN 113 -17.412 -9.787 6.951 933 HD21 ASN 113 1HD2 ASN 113 -17.803 -7.423 9.612 934 HD22 ASN 113 2HD2 ASN 113 -17.646 -9.105 9.157 935 H THR 114 H THR 114 -14.949 -11.445 7.256 936 HA THR 114 HA THR 114 -13.817 -10.591 9.867 937 HB THR 114 HB THR 114 -14.542 -13.329 9.997 938 HG1 THR 114 1HG THR 114 -16.085 -13.410 8.534 939 HG21 THR 114 1HG2 THR 114 -15.963 -10.855 11.074 940 HG22 THR 114 2HG2 THR 114 -14.620 -11.718 11.851 941 HG23 THR 114 3HG2 THR 114 -16.185 -12.523 11.656 942 H PHE 115 H PHE 115 -11.770 -11.119 10.283 943 HA PHE 115 HA PHE 115 -10.374 -12.988 8.433 944 HB2 PHE 115 2HB PHE 115 -8.361 -11.611 8.944 945 HB3 PHE 115 3HB PHE 115 -9.610 -10.797 8.056 946 HD1 PHE 115 1HD PHE 115 -8.121 -11.094 11.489 947 HD2 PHE 115 2HD PHE 115 -10.554 -8.737 8.803 948 HE1 PHE 115 1HE PHE 115 -8.030 -9.210 13.056 949 HE2 PHE 115 2HE PHE 115 -10.488 -6.855 10.420 950 HZ PHE 115 HZ PHE 115 -9.216 -7.073 12.539 951 H GLY 116 H GLY 116 -11.706 -13.235 11.368 952 HA2 GLY 116 1HA GLY 116 -9.551 -13.979 13.106 953 HA3 GLY 116 2HA GLY 116 -11.260 -14.420 13.285 954 H1 GLY 330 H GLY 330 27.265 -10.505 2.419 955 HA2 GLY 330 1HA GLY 330 26.800 -7.624 1.911 956 HA3 GLY 330 2HA GLY 330 28.402 -8.378 2.003 957 H ALA 331 H ALA 331 26.784 -6.957 -0.202 958 HA ALA 331 HA ALA 331 26.412 -6.995 -2.375 959 HB1 ALA 331 1HB ALA 331 28.774 -8.898 -2.452 960 HB2 ALA 331 2HB ALA 331 28.203 -7.839 -3.758 961 HB3 ALA 331 3HB ALA 331 28.869 -7.124 -2.282 962 H MET 332 H MET 332 25.166 -9.511 -0.819 963 HA MET 332 HA MET 332 24.715 -11.312 -3.107 964 HB2 MET 332 1HB MET 332 25.069 -12.264 -0.866 965 HB3 MET 332 2HB MET 332 23.644 -11.403 -0.262 966 HG2 MET 332 1HG MET 332 22.180 -12.663 -1.704 967 HG3 MET 332 2HG MET 332 23.530 -13.359 -2.583 968 HE1 MET 332 1HE MET 332 20.857 -14.555 -1.082 969 HE2 MET 332 2HE MET 332 21.845 -15.565 -2.156 970 HE3 MET 332 3HE MET 332 21.453 -16.125 -0.515 971 H GLU 333 H GLU 333 23.978 -9.331 -4.232 972 HA GLU 333 HA GLU 333 21.078 -8.726 -3.759 973 HB2 GLU 333 1HB GLU 333 23.261 -7.001 -5.005 974 HB3 GLU 333 2HB GLU 333 21.560 -6.545 -4.796 975 HG2 GLU 333 1HG GLU 333 21.807 -6.697 -2.340 976 HG3 GLU 333 2HG GLU 333 23.508 -7.141 -2.514 977 H ILE 334 H ILE 334 21.616 -11.076 -4.936 978 HA ILE 334 HA ILE 334 22.217 -10.882 -7.723 979 HB ILE 334 HB ILE 334 21.758 -13.181 -7.913 980 HG12 ILE 334 1HG1 ILE 334 20.489 -13.191 -5.144 981 HG13 ILE 334 2HG1 ILE 334 19.623 -13.296 -6.683 982 HG21 ILE 334 1HG2 ILE 334 23.350 -14.077 -6.357 983 HG22 ILE 334 2HG2 ILE 334 23.834 -12.420 -6.708 984 HG23 ILE 334 3HG2 ILE 334 23.022 -12.795 -5.171 985 HD11 ILE 334 1HD1 ILE 334 20.860 -15.362 -7.257 986 HD12 ILE 334 2HD1 ILE 334 21.551 -15.360 -5.610 987 HD13 ILE 334 3HD1 ILE 334 19.799 -15.498 -5.851 988 H ILE 335 H ILE 335 20.865 -10.906 -9.544 989 HA ILE 335 HA ILE 335 18.203 -9.817 -9.014 990 HB ILE 335 HB ILE 335 18.130 -9.421 -11.463 991 HG12 ILE 335 1HG1 ILE 335 20.250 -9.327 -12.725 992 HG13 ILE 335 2HG1 ILE 335 21.075 -10.240 -11.467 993 HG21 ILE 335 1HG2 ILE 335 19.658 -7.516 -11.320 994 HG22 ILE 335 2HG2 ILE 335 18.811 -7.744 -9.790 995 HG23 ILE 335 3HG2 ILE 335 20.501 -8.253 -9.946 996 HD11 ILE 335 1HD1 ILE 335 18.704 -11.269 -13.090 997 HD12 ILE 335 2HD1 ILE 335 20.408 -11.585 -13.470 998 HD13 ILE 335 3HD1 ILE 335 19.727 -12.203 -11.957 999 H HIS 336 H HIS 336 19.099 -12.904 -8.866 1000 HA HIS 336 HA HIS 336 16.631 -13.977 -10.161 1001 HB2 HIS 336 1HB HIS 336 19.374 -15.158 -9.722 1002 HB3 HIS 336 2HB HIS 336 17.956 -16.188 -9.787 1003 HD1 HIS 336 HD1 HIS 336 18.985 -17.275 -11.969 1004 HD2 HIS 336 HD2 HIS 336 17.725 -13.280 -12.240 1005 HE1 HIS 336 HE1 HIS 336 18.641 -16.775 -14.477 1006 H GLU 337 H GLU 337 15.557 -12.995 -8.305 1007 HA GLU 337 HA GLU 337 15.498 -14.846 -6.000 1008 HB2 GLU 337 1HB GLU 337 15.563 -11.803 -5.998 1009 HB3 GLU 337 2HB GLU 337 14.846 -12.705 -4.673 1010 HG2 GLU 337 1HG GLU 337 17.732 -12.995 -5.566 1011 HG3 GLU 337 2HG GLU 337 17.172 -11.981 -4.238 1012 H ASP 338 H ASP 338 13.340 -14.558 -4.790 1013 HA ASP 338 HA ASP 338 11.155 -14.543 -6.809 1014 HB2 ASP 338 1HB ASP 338 11.339 -15.453 -3.920 1015 HB3 ASP 338 2HB ASP 338 9.808 -15.313 -4.781 1016 H ASN 339 H ASN 339 12.682 -12.456 -4.665 1017 HA ASN 339 HA ASN 339 10.301 -10.761 -4.148 1018 HB2 ASN 339 1HB ASN 339 12.010 -9.375 -2.890 1019 HB3 ASN 339 2HB ASN 339 11.653 -10.980 -2.281 1020 HD21 ASN 339 1HD2 ASN 339 15.475 -10.347 -3.603 1021 HD22 ASN 339 2HD2 ASN 339 14.185 -9.592 -4.542 1022 H GLU 340 H GLU 340 9.678 -9.743 -5.960 1023 HA GLU 340 HA GLU 340 11.724 -8.671 -7.769 1024 HB2 GLU 340 1HB GLU 340 9.799 -9.990 -8.585 1025 HB3 GLU 340 2HB GLU 340 8.719 -8.639 -8.179 1026 HG2 GLU 340 1HG GLU 340 9.837 -7.192 -9.753 1027 HG3 GLU 340 2HG GLU 340 11.235 -8.253 -9.851 1028 H TRP 341 H TRP 341 8.708 -7.192 -6.259 1029 HA TRP 341 HA TRP 341 8.252 -5.198 -5.603 1030 HB2 TRP 341 2HB TRP 341 11.171 -4.948 -4.861 1031 HB3 TRP 341 3HB TRP 341 9.818 -4.002 -4.256 1032 HD1 TRP 341 HD1 TRP 341 11.829 -6.857 -3.256 1033 HE1 TRP 341 1HE TRP 341 10.703 -8.118 -1.249 1034 HE3 TRP 341 3HE TRP 341 7.125 -4.967 -3.604 1035 HZ2 TRP 341 2HZ TRP 341 8.039 -8.538 -0.295 1036 HZ3 TRP 341 3HZ TRP 341 5.288 -5.790 -2.151 1037 HH2 TRP 341 HH2 TRP 341 5.736 -7.590 -0.497 1038 H GLY 342 H GLY 342 7.808 -5.035 -8.085 1039 HA2 GLY 342 1HA GLY 342 9.659 -3.284 -9.522 1040 HA3 GLY 342 2HA GLY 342 8.116 -3.927 -10.083 1041 H ILE 343 H ILE 343 9.404 -1.135 -9.860 1042 HA ILE 343 HA ILE 343 7.767 0.576 -8.164 1043 HB ILE 343 HB ILE 343 9.541 1.139 -10.562 1044 HG12 ILE 343 1HG1 ILE 343 9.911 1.308 -7.526 1045 HG13 ILE 343 2HG1 ILE 343 10.720 0.185 -8.618 1046 HG21 ILE 343 1HG2 ILE 343 7.760 2.927 -10.140 1047 HG22 ILE 343 2HG2 ILE 343 8.491 3.161 -8.537 1048 HG23 ILE 343 3HG2 ILE 343 9.421 3.473 -10.007 1049 HD11 ILE 343 1HD1 ILE 343 12.289 1.858 -7.989 1050 HD12 ILE 343 2HD1 ILE 343 11.874 2.125 -9.693 1051 HD13 ILE 343 3HD1 ILE 343 11.188 3.171 -8.410 1052 H GLU 344 H GLU 344 5.685 1.113 -8.364 1053 HA GLU 344 HA GLU 344 4.477 1.152 -11.067 1054 HB2 GLU 344 1HB GLU 344 4.281 -1.016 -9.503 1055 HB3 GLU 344 2HB GLU 344 3.068 -0.071 -8.666 1056 HG2 GLU 344 1HG GLU 344 3.107 -0.562 -11.675 1057 HG3 GLU 344 2HG GLU 344 2.363 -1.673 -10.542 1058 H LEU 345 H LEU 345 3.200 3.048 -11.302 1059 HA LEU 345 HA LEU 345 2.837 4.731 -8.862 1060 HB2 LEU 345 1HB LEU 345 3.334 5.354 -11.775 1061 HB3 LEU 345 2HB LEU 345 2.314 6.412 -10.834 1062 HG LEU 345 HG LEU 345 4.119 6.710 -9.135 1063 HD11 LEU 345 1HD1 LEU 345 5.465 4.719 -9.561 1064 HD12 LEU 345 2HD1 LEU 345 6.453 6.164 -9.861 1065 HD13 LEU 345 3HD1 LEU 345 5.776 5.242 -11.222 1066 HD21 LEU 345 1HD2 LEU 345 5.453 8.264 -10.515 1067 HD22 LEU 345 2HD2 LEU 345 3.736 8.376 -10.905 1068 HD23 LEU 345 3HD2 LEU 345 4.808 7.504 -11.996 1069 H VAL 346 H VAL 346 0.880 4.997 -8.109 1070 HA VAL 346 HA VAL 346 -1.505 4.548 -9.883 1071 HB VAL 346 HB VAL 346 -0.869 3.625 -7.155 1072 HG11 VAL 346 1HG1 VAL 346 -3.231 3.162 -6.570 1073 HG12 VAL 346 2HG1 VAL 346 -2.726 4.842 -6.440 1074 HG13 VAL 346 3HG1 VAL 346 -3.679 4.351 -7.831 1075 HG21 VAL 346 1HG2 VAL 346 -0.940 2.089 -9.149 1076 HG22 VAL 346 2HG2 VAL 346 -2.069 1.594 -7.891 1077 HG23 VAL 346 3HG2 VAL 346 -2.659 2.452 -9.338 1078 H SER 347 H SER 347 -2.569 6.307 -10.222 1079 HA SER 347 HA SER 347 -3.251 8.154 -8.200 1080 HB2 SER 347 1HB SER 347 -2.400 10.244 -9.276 1081 HB3 SER 347 2HB SER 347 -1.196 9.276 -8.440 1082 HG SER 347 HG SER 347 -1.592 9.585 -11.202 1083 H GLU 348 H GLU 348 -5.201 8.704 -8.844 1084 HA GLU 348 HA GLU 348 -7.069 9.208 -10.018 1085 HB2 GLU 348 1HB GLU 348 -5.417 10.513 -11.443 1086 HB3 GLU 348 2HB GLU 348 -5.589 9.239 -12.649 1087 HG2 GLU 348 1HG GLU 348 -7.939 9.717 -12.915 1088 HG3 GLU 348 2HG GLU 348 -7.950 10.755 -11.477
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