NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
511265 | 2lc5 | 15663 | 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 H1 MET 1 8.015 -0.541 -14.789 2 HA MET 1 HA MET 1 8.054 0.909 -13.033 3 HB2 MET 1 HB2 MET 1 6.118 2.546 -14.682 4 HB3 MET 1 HB3 MET 1 6.974 3.101 -13.250 5 HG2 MET 1 HG2 MET 1 8.408 3.937 -14.754 6 HG3 MET 1 HG3 MET 1 9.053 2.297 -14.747 7 HE1 MET 1 HE1 MET 1 10.003 1.832 -17.076 8 HE2 MET 1 HE2 MET 1 9.444 2.718 -18.496 9 HE3 MET 1 HE3 MET 1 10.037 3.596 -17.086 10 H SER 2 H SER 2 7.113 0.564 -11.131 11 HA SER 2 HA SER 2 4.503 -0.631 -11.011 12 HB2 SER 2 HB2 SER 2 5.978 -1.548 -9.446 13 HB3 SER 2 HB3 SER 2 6.624 0.028 -8.987 14 HG SER 2 HG SER 2 4.899 0.393 -7.736 15 H GLU 3 H GLU 3 5.939 2.448 -10.025 16 HA GLU 3 HA GLU 3 3.354 3.425 -9.102 17 HB2 GLU 3 HB2 GLU 3 6.175 4.280 -8.817 18 HB3 GLU 3 HB3 GLU 3 4.978 5.567 -8.865 19 HG2 GLU 3 HG2 GLU 3 4.291 5.142 -6.797 20 HG3 GLU 3 HG3 GLU 3 4.198 3.408 -7.095 21 H GLN 4 H GLN 4 2.531 5.504 -9.857 22 HA GLN 4 HA GLN 4 3.425 6.389 -12.478 23 HB2 GLN 4 HB2 GLN 4 0.596 5.429 -12.014 24 HB3 GLN 4 HB3 GLN 4 1.202 6.177 -13.486 25 HG2 GLN 4 HG2 GLN 4 2.815 4.271 -13.679 26 HG3 GLN 4 HG3 GLN 4 1.958 3.502 -12.344 27 HE21 GLN 4 HE21 GLN 4 0.053 2.499 -12.718 28 HE22 GLN 4 HE22 GLN 4 -0.677 2.353 -14.277 29 H LYS 5 H LYS 5 2.801 8.484 -12.992 30 HA LYS 5 HA LYS 5 1.369 9.937 -10.865 31 HB2 LYS 5 HB2 LYS 5 3.929 10.305 -11.150 32 HB3 LYS 5 HB3 LYS 5 3.472 11.230 -12.574 33 HG2 LYS 5 HG2 LYS 5 3.376 12.955 -11.160 34 HG3 LYS 5 HG3 LYS 5 1.811 12.283 -10.699 35 HD2 LYS 5 HD2 LYS 5 4.259 11.256 -9.347 36 HD3 LYS 5 HD3 LYS 5 3.648 12.848 -8.892 37 HE2 LYS 5 HE2 LYS 5 1.557 10.827 -9.069 38 HE3 LYS 5 HE3 LYS 5 2.797 10.431 -7.880 39 HZ1 LYS 5 HZ1 LYS 5 1.653 13.138 -7.921 40 HZ2 LYS 5 HZ2 LYS 5 2.312 12.272 -6.626 41 HZ3 LYS 5 HZ3 LYS 5 0.773 11.881 -7.208 42 H LYS 6 H LYS 6 -0.497 10.726 -11.555 43 HA LYS 6 HA LYS 6 -0.856 11.256 -14.417 44 HB2 LYS 6 HB2 LYS 6 -2.982 11.133 -12.276 45 HB3 LYS 6 HB3 LYS 6 -3.224 11.119 -14.018 46 HG2 LYS 6 HG2 LYS 6 -1.894 8.954 -12.401 47 HG3 LYS 6 HG3 LYS 6 -3.527 8.904 -13.069 48 HD2 LYS 6 HD2 LYS 6 -1.020 9.206 -14.720 49 HD3 LYS 6 HD3 LYS 6 -1.837 7.670 -14.422 50 HE2 LYS 6 HE2 LYS 6 -3.024 10.082 -15.790 51 HE3 LYS 6 HE3 LYS 6 -2.480 8.604 -16.582 52 HZ1 LYS 6 HZ1 LYS 6 -4.171 7.555 -14.875 53 HZ2 LYS 6 HZ2 LYS 6 -4.677 8.142 -16.379 54 HZ3 LYS 6 HZ3 LYS 6 -4.883 9.085 -14.991 55 H VAL 7 H VAL 7 0.599 13.065 -12.646 56 HA VAL 7 HA VAL 7 -0.901 15.481 -13.266 57 HB VAL 7 HB VAL 7 -0.409 16.438 -10.993 58 HG11 VAL 7 HG11 VAL 7 -2.649 15.663 -11.681 59 HG12 VAL 7 HG12 VAL 7 -2.279 14.071 -11.016 60 HG13 VAL 7 HG13 VAL 7 -2.367 15.475 -9.951 61 HG21 VAL 7 HG21 VAL 7 0.199 13.548 -10.394 62 HG22 VAL 7 HG22 VAL 7 1.262 14.940 -10.189 63 HG23 VAL 7 HG23 VAL 7 -0.153 14.752 -9.154 64 H LEU 8 H LEU 8 0.388 17.137 -13.869 65 HA LEU 8 HA LEU 8 2.265 18.230 -14.544 66 HB2 LEU 8 HB2 LEU 8 2.488 17.781 -11.821 67 HB3 LEU 8 HB3 LEU 8 4.042 17.257 -12.464 68 HG LEU 8 HG LEU 8 4.249 19.532 -11.780 69 HD11 LEU 8 HD11 LEU 8 3.924 19.687 -14.759 70 HD12 LEU 8 HD12 LEU 8 5.222 18.761 -14.007 71 HD13 LEU 8 HD13 LEU 8 5.106 20.499 -13.732 72 HD21 LEU 8 HD21 LEU 8 1.685 19.881 -12.046 73 HD22 LEU 8 HD22 LEU 8 2.113 20.421 -13.670 74 HD23 LEU 8 HD23 LEU 8 2.781 21.247 -12.262 75 H THR 9 H THR 9 1.841 15.376 -15.306 76 HA THR 9 HA THR 9 4.579 14.869 -16.241 77 HB THR 9 HB THR 9 3.449 12.331 -16.005 78 HG1 THR 9 HG1 THR 9 1.921 12.930 -14.526 79 HG21 THR 9 HG21 THR 9 5.679 12.341 -15.573 80 HG22 THR 9 HG22 THR 9 5.115 12.391 -13.903 81 HG23 THR 9 HG23 THR 9 5.616 13.877 -14.710 82 H ALA 10 H ALA 10 4.541 13.150 -18.031 83 HA ALA 10 HA ALA 10 3.128 14.074 -20.210 84 HB1 ALA 10 HB1 ALA 10 5.022 12.718 -20.596 85 HB2 ALA 10 HB2 ALA 10 4.341 11.375 -19.677 86 HB3 ALA 10 HB3 ALA 10 3.644 11.821 -21.234 87 H GLU 11 H GLU 11 2.211 11.610 -17.871 88 HA GLU 11 HA GLU 11 0.018 10.516 -19.211 89 HB2 GLU 11 HB2 GLU 11 0.919 10.675 -16.393 90 HB3 GLU 11 HB3 GLU 11 -0.782 10.313 -16.647 91 HG2 GLU 11 HG2 GLU 11 -0.305 8.334 -17.806 92 HG3 GLU 11 HG3 GLU 11 1.385 8.780 -18.039 93 H GLU 12 H GLU 12 0.270 13.373 -17.153 94 HA GLU 12 HA GLU 12 -2.519 13.925 -17.091 95 HB2 GLU 12 HB2 GLU 12 -1.167 14.862 -15.366 96 HB3 GLU 12 HB3 GLU 12 -0.085 15.614 -16.530 97 HG2 GLU 12 HG2 GLU 12 -1.389 17.411 -16.769 98 HG3 GLU 12 HG3 GLU 12 -2.872 16.458 -16.780 99 H GLN 13 H GLN 13 0.143 14.971 -19.154 100 HA GLN 13 HA GLN 13 -1.230 16.966 -20.577 101 HB2 GLN 13 HB2 GLN 13 1.276 16.464 -20.558 102 HB3 GLN 13 HB3 GLN 13 0.927 15.219 -21.749 103 HG2 GLN 13 HG2 GLN 13 -0.290 17.241 -22.952 104 HG3 GLN 13 HG3 GLN 13 0.879 18.168 -22.011 105 HE21 GLN 13 HE21 GLN 13 0.689 15.340 -24.139 106 HE22 GLN 13 HE22 GLN 13 2.194 15.624 -24.938 107 H GLN 14 H GLN 14 -0.705 13.532 -21.351 108 HA GLN 14 HA GLN 14 -2.232 13.581 -23.738 109 HB2 GLN 14 HB2 GLN 14 -2.151 11.119 -23.588 110 HB3 GLN 14 HB3 GLN 14 -0.570 11.853 -23.356 111 HG2 GLN 14 HG2 GLN 14 -1.012 11.658 -20.865 112 HG3 GLN 14 HG3 GLN 14 -2.367 10.616 -21.298 113 HE21 GLN 14 HE21 GLN 14 1.118 11.008 -21.591 114 HE22 GLN 14 HE22 GLN 14 1.479 9.326 -21.749 115 H GLU 15 H GLU 15 -2.992 12.733 -20.392 116 HA GLU 15 HA GLU 15 -5.553 11.699 -20.784 117 HB2 GLU 15 HB2 GLU 15 -4.157 13.010 -18.490 118 HB3 GLU 15 HB3 GLU 15 -5.889 12.733 -18.377 119 HG2 GLU 15 HG2 GLU 15 -4.269 10.435 -19.255 120 HG3 GLU 15 HG3 GLU 15 -4.038 10.962 -17.589 121 H TYR 16 H TYR 16 -4.525 15.044 -20.183 122 HA TYR 16 HA TYR 16 -7.172 16.104 -20.277 123 HB2 TYR 16 HB2 TYR 16 -5.404 17.262 -19.058 124 HB3 TYR 16 HB3 TYR 16 -4.489 17.477 -20.547 125 HD1 TYR 16 HD1 TYR 16 -8.122 17.979 -19.875 126 HD2 TYR 16 HD2 TYR 16 -4.404 19.772 -20.908 127 HE1 TYR 16 HE1 TYR 16 -9.269 20.120 -20.265 128 HE2 TYR 16 HE2 TYR 16 -5.541 21.917 -21.300 129 HH TYR 16 HH TYR 16 -8.794 22.230 -21.690 130 H LYS 17 H LYS 17 -4.567 15.709 -22.608 131 HA LYS 17 HA LYS 17 -5.555 17.291 -24.680 132 HB2 LYS 17 HB2 LYS 17 -3.803 14.860 -24.590 133 HB3 LYS 17 HB3 LYS 17 -4.315 15.514 -26.140 134 HG2 LYS 17 HG2 LYS 17 -3.338 17.632 -24.483 135 HG3 LYS 17 HG3 LYS 17 -2.151 16.327 -24.551 136 HD2 LYS 17 HD2 LYS 17 -3.474 17.422 -27.019 137 HD3 LYS 17 HD3 LYS 17 -2.002 18.128 -26.349 138 HE2 LYS 17 HE2 LYS 17 -1.894 15.221 -26.631 139 HE3 LYS 17 HE3 LYS 17 -2.107 16.073 -28.160 140 HZ1 LYS 17 HZ1 LYS 17 -0.017 16.846 -26.215 141 HZ2 LYS 17 HZ2 LYS 17 -0.125 17.250 -27.854 142 HZ3 LYS 17 HZ3 LYS 17 0.253 15.667 -27.397 143 H GLU 18 H GLU 18 -6.134 13.854 -23.986 144 HA GLU 18 HA GLU 18 -7.933 13.524 -26.188 145 HB2 GLU 18 HB2 GLU 18 -8.265 11.305 -25.388 146 HB3 GLU 18 HB3 GLU 18 -6.566 11.686 -25.146 147 HG2 GLU 18 HG2 GLU 18 -6.986 12.131 -22.792 148 HG3 GLU 18 HG3 GLU 18 -8.699 11.789 -23.025 149 H ALA 19 H ALA 19 -8.241 14.328 -22.800 150 HA ALA 19 HA ALA 19 -10.991 13.856 -22.479 151 HB1 ALA 19 HB1 ALA 19 -9.423 14.251 -20.618 152 HB2 ALA 19 HB2 ALA 19 -9.316 15.946 -21.093 153 HB3 ALA 19 HB3 ALA 19 -10.851 15.282 -20.533 154 H PHE 20 H PHE 20 -9.258 16.858 -23.302 155 HA PHE 20 HA PHE 20 -11.670 18.335 -23.727 156 HB2 PHE 20 HB2 PHE 20 -10.321 20.151 -23.910 157 HB3 PHE 20 HB3 PHE 20 -9.113 19.065 -23.230 158 HD1 PHE 20 HD1 PHE 20 -10.283 20.746 -26.260 159 HD2 PHE 20 HD2 PHE 20 -7.328 18.182 -24.583 160 HE1 PHE 20 HE1 PHE 20 -8.874 21.075 -28.249 161 HE2 PHE 20 HE2 PHE 20 -5.913 18.508 -26.570 162 HZ PHE 20 HZ PHE 20 -6.686 19.955 -28.407 163 H GLN 21 H GLN 21 -9.462 16.517 -25.742 164 HA GLN 21 HA GLN 21 -10.355 17.469 -28.247 165 HB2 GLN 21 HB2 GLN 21 -8.265 16.333 -28.164 166 HB3 GLN 21 HB3 GLN 21 -8.987 14.916 -27.412 167 HG2 GLN 21 HG2 GLN 21 -10.230 14.468 -29.477 168 HG3 GLN 21 HG3 GLN 21 -9.462 15.867 -30.228 169 HE21 GLN 21 HE21 GLN 21 -8.674 14.400 -31.827 170 HE22 GLN 21 HE22 GLN 21 -7.275 13.437 -31.512 171 H LEU 22 H LEU 22 -11.287 14.649 -26.304 172 HA LEU 22 HA LEU 22 -13.179 13.644 -28.155 173 HB2 LEU 22 HB2 LEU 22 -12.324 12.165 -26.516 174 HB3 LEU 22 HB3 LEU 22 -12.788 13.243 -25.202 175 HG LEU 22 HG LEU 22 -15.144 12.513 -26.616 176 HD11 LEU 22 HD11 LEU 22 -15.131 10.244 -26.800 177 HD12 LEU 22 HD12 LEU 22 -13.890 10.036 -25.565 178 HD13 LEU 22 HD13 LEU 22 -13.441 10.570 -27.184 179 HD21 LEU 22 HD21 LEU 22 -15.386 13.078 -24.390 180 HD22 LEU 22 HD22 LEU 22 -14.001 12.110 -23.884 181 HD23 LEU 22 HD23 LEU 22 -15.511 11.319 -24.337 182 H PHE 23 H PHE 23 -13.347 16.010 -25.585 183 HA PHE 23 HA PHE 23 -16.246 16.213 -25.827 184 HB2 PHE 23 HB2 PHE 23 -14.216 17.096 -23.868 185 HB3 PHE 23 HB3 PHE 23 -15.578 18.189 -24.096 186 HD1 PHE 23 HD1 PHE 23 -17.937 17.067 -24.011 187 HD2 PHE 23 HD2 PHE 23 -14.401 15.373 -22.356 188 HE1 PHE 23 HE1 PHE 23 -19.308 15.670 -22.519 189 HE2 PHE 23 HE2 PHE 23 -15.766 13.974 -20.862 190 HZ PHE 23 HZ PHE 23 -18.223 14.120 -20.943 191 H ASP 24 H ASP 24 -14.123 17.088 -27.868 192 HA ASP 24 HA ASP 24 -15.369 19.678 -28.428 193 HB2 ASP 24 HB2 ASP 24 -13.116 20.003 -27.316 194 HB3 ASP 24 HB3 ASP 24 -12.397 19.246 -28.734 195 H LYS 25 H LYS 25 -16.493 18.006 -29.822 196 HA LYS 25 HA LYS 25 -15.073 16.916 -32.051 197 HB2 LYS 25 HB2 LYS 25 -17.776 16.830 -30.986 198 HB3 LYS 25 HB3 LYS 25 -17.773 16.982 -32.738 199 HG2 LYS 25 HG2 LYS 25 -16.959 14.906 -33.053 200 HG3 LYS 25 HG3 LYS 25 -15.925 14.977 -31.624 201 HD2 LYS 25 HD2 LYS 25 -18.914 14.758 -31.411 202 HD3 LYS 25 HD3 LYS 25 -17.886 13.334 -31.588 203 HE2 LYS 25 HE2 LYS 25 -16.896 15.132 -29.544 204 HE3 LYS 25 HE3 LYS 25 -18.554 14.627 -29.221 205 HZ1 LYS 25 HZ1 LYS 25 -16.341 13.201 -28.611 206 HZ2 LYS 25 HZ2 LYS 25 -16.840 12.475 -30.056 207 HZ3 LYS 25 HZ3 LYS 25 -17.902 12.564 -28.743 208 H ASP 26 H ASP 26 -16.646 19.918 -31.377 209 HA ASP 26 HA ASP 26 -17.160 20.748 -34.031 210 HB2 ASP 26 HB2 ASP 26 -17.140 23.069 -32.997 211 HB3 ASP 26 HB3 ASP 26 -18.275 21.921 -32.293 212 H ASN 27 H ASN 27 -14.267 20.327 -32.326 213 HA ASN 27 HA ASN 27 -12.088 20.734 -32.835 214 HB2 ASN 27 HB2 ASN 27 -13.155 20.138 -35.196 215 HB3 ASN 27 HB3 ASN 27 -12.769 21.825 -35.527 216 HD21 ASN 27 HD21 ASN 27 -11.614 19.704 -36.893 217 HD22 ASN 27 HD22 ASN 27 -9.929 19.649 -36.514 218 H ASP 28 H ASP 28 -13.158 22.640 -31.327 219 HA ASP 28 HA ASP 28 -12.467 25.216 -32.555 220 HB2 ASP 28 HB2 ASP 28 -14.013 24.541 -30.047 221 HB3 ASP 28 HB3 ASP 28 -13.571 26.182 -30.508 222 H ASN 29 H ASN 29 -11.167 22.836 -30.593 223 HA ASN 29 HA ASN 29 -9.248 22.694 -29.380 224 HB2 ASN 29 HB2 ASN 29 -8.676 24.531 -31.319 225 HB3 ASN 29 HB3 ASN 29 -8.346 25.457 -29.858 226 HD21 ASN 29 HD21 ASN 29 -6.262 25.445 -29.463 227 HD22 ASN 29 HD22 ASN 29 -5.208 24.081 -29.583 228 H LYS 30 H LYS 30 -11.796 24.223 -28.480 229 HA LYS 30 HA LYS 30 -10.721 24.927 -25.870 230 HB2 LYS 30 HB2 LYS 30 -12.390 26.858 -27.492 231 HB3 LYS 30 HB3 LYS 30 -11.930 27.077 -25.808 232 HG2 LYS 30 HG2 LYS 30 -9.581 27.159 -26.450 233 HG3 LYS 30 HG3 LYS 30 -10.029 26.914 -28.139 234 HD2 LYS 30 HD2 LYS 30 -9.791 29.208 -28.046 235 HD3 LYS 30 HD3 LYS 30 -11.522 29.018 -27.757 236 HE2 LYS 30 HE2 LYS 30 -10.765 28.926 -25.245 237 HE3 LYS 30 HE3 LYS 30 -9.344 29.767 -25.862 238 HZ1 LYS 30 HZ1 LYS 30 -11.816 30.858 -25.227 239 HZ2 LYS 30 HZ2 LYS 30 -11.673 30.957 -26.910 240 HZ3 LYS 30 HZ3 LYS 30 -10.488 31.645 -25.918 241 H LEU 31 H LEU 31 -12.497 25.319 -24.275 242 HA LEU 31 HA LEU 31 -14.972 23.914 -25.017 243 HB2 LEU 31 HB2 LEU 31 -13.151 23.414 -22.695 244 HB3 LEU 31 HB3 LEU 31 -14.870 23.042 -22.580 245 HG LEU 31 HG LEU 31 -13.684 21.033 -23.113 246 HD11 LEU 31 HD11 LEU 31 -15.738 22.100 -24.682 247 HD12 LEU 31 HD12 LEU 31 -15.304 20.402 -24.490 248 HD13 LEU 31 HD13 LEU 31 -14.616 21.344 -25.813 249 HD21 LEU 31 HD21 LEU 31 -12.040 20.805 -24.679 250 HD22 LEU 31 HD22 LEU 31 -11.792 22.495 -24.240 251 HD23 LEU 31 HD23 LEU 31 -12.684 22.087 -25.706 252 H THR 32 H THR 32 -16.818 24.820 -24.302 253 HA THR 32 HA THR 32 -16.708 27.430 -23.137 254 HB THR 32 HB THR 32 -19.039 27.553 -23.453 255 HG1 THR 32 HG1 THR 32 -20.227 25.527 -23.915 256 HG21 THR 32 HG21 THR 32 -19.318 27.031 -25.719 257 HG22 THR 32 HG22 THR 32 -18.297 25.598 -25.609 258 HG23 THR 32 HG23 THR 32 -17.572 27.204 -25.538 259 H ALA 33 H ALA 33 -18.378 27.907 -21.310 260 HA ALA 33 HA ALA 33 -17.419 26.954 -18.919 261 HB1 ALA 33 HB1 ALA 33 -20.212 27.588 -18.640 262 HB2 ALA 33 HB2 ALA 33 -18.797 28.486 -18.090 263 HB3 ALA 33 HB3 ALA 33 -19.418 28.734 -19.722 264 H GLU 34 H GLU 34 -20.376 25.872 -20.592 265 HA GLU 34 HA GLU 34 -21.163 23.924 -18.777 266 HB2 GLU 34 HB2 GLU 34 -21.478 23.935 -21.784 267 HB3 GLU 34 HB3 GLU 34 -22.354 22.877 -20.686 268 HG2 GLU 34 HG2 GLU 34 -23.545 24.676 -19.740 269 HG3 GLU 34 HG3 GLU 34 -22.481 25.868 -20.485 270 H GLU 35 H GLU 35 -19.062 23.586 -21.626 271 HA GLU 35 HA GLU 35 -18.575 20.837 -21.366 272 HB2 GLU 35 HB2 GLU 35 -16.864 23.015 -22.575 273 HB3 GLU 35 HB3 GLU 35 -16.540 21.295 -22.746 274 HG2 GLU 35 HG2 GLU 35 -19.258 21.951 -23.483 275 HG3 GLU 35 HG3 GLU 35 -18.080 22.870 -24.418 276 H LEU 36 H LEU 36 -16.748 23.632 -20.156 277 HA LEU 36 HA LEU 36 -14.637 22.226 -18.983 278 HB2 LEU 36 HB2 LEU 36 -14.449 24.573 -19.261 279 HB3 LEU 36 HB3 LEU 36 -15.906 24.868 -18.315 280 HG LEU 36 HG LEU 36 -14.596 23.909 -16.336 281 HD11 LEU 36 HD11 LEU 36 -12.044 24.691 -17.050 282 HD12 LEU 36 HD12 LEU 36 -12.606 23.760 -18.438 283 HD13 LEU 36 HD13 LEU 36 -12.611 23.036 -16.830 284 HD21 LEU 36 HD21 LEU 36 -13.304 26.127 -16.124 285 HD22 LEU 36 HD22 LEU 36 -15.062 26.187 -16.257 286 HD23 LEU 36 HD23 LEU 36 -14.059 26.541 -17.664 287 H GLY 37 H GLY 37 -17.839 23.040 -17.749 288 HA2 GLY 37 HA2 GLY 37 -17.445 22.318 -15.067 289 HA3 GLY 37 HA3 GLY 37 -18.990 22.310 -15.903 290 H THR 38 H THR 38 -18.122 20.363 -17.897 291 HA THR 38 HA THR 38 -18.813 17.997 -16.470 292 HB THR 38 HB THR 38 -17.834 18.326 -19.313 293 HG1 THR 38 HG1 THR 38 -20.403 18.268 -18.108 294 HG21 THR 38 HG21 THR 38 -17.716 16.102 -19.389 295 HG22 THR 38 HG22 THR 38 -19.447 16.042 -19.060 296 HG23 THR 38 HG23 THR 38 -18.293 15.970 -17.728 297 H VAL 39 H VAL 39 -15.830 19.130 -18.030 298 HA VAL 39 HA VAL 39 -14.317 16.815 -17.325 299 HB VAL 39 HB VAL 39 -13.663 18.180 -19.233 300 HG11 VAL 39 HG11 VAL 39 -13.036 20.329 -17.211 301 HG12 VAL 39 HG12 VAL 39 -12.699 20.402 -18.941 302 HG13 VAL 39 HG13 VAL 39 -14.366 20.358 -18.367 303 HG21 VAL 39 HG21 VAL 39 -11.603 17.422 -18.897 304 HG22 VAL 39 HG22 VAL 39 -11.269 18.775 -17.815 305 HG23 VAL 39 HG23 VAL 39 -11.941 17.276 -17.172 306 H MET 40 H MET 40 -14.872 19.958 -15.862 307 HA MET 40 HA MET 40 -12.816 19.812 -13.921 308 HB2 MET 40 HB2 MET 40 -14.196 21.854 -14.682 309 HB3 MET 40 HB3 MET 40 -15.399 21.301 -13.525 310 HG2 MET 40 HG2 MET 40 -14.292 22.221 -11.851 311 HG3 MET 40 HG3 MET 40 -12.821 21.355 -12.286 312 HE1 MET 40 HE1 MET 40 -14.119 24.495 -11.411 313 HE2 MET 40 HE2 MET 40 -12.436 24.241 -10.949 314 HE3 MET 40 HE3 MET 40 -12.871 25.605 -11.980 315 H ARG 41 H ARG 41 -16.116 18.641 -14.030 316 HA ARG 41 HA ARG 41 -16.578 18.129 -11.343 317 HB2 ARG 41 HB2 ARG 41 -17.521 16.834 -13.876 318 HB3 ARG 41 HB3 ARG 41 -17.950 16.129 -12.323 319 HG2 ARG 41 HG2 ARG 41 -19.328 17.856 -11.759 320 HG3 ARG 41 HG3 ARG 41 -18.430 19.032 -12.722 321 HD2 ARG 41 HD2 ARG 41 -20.001 18.826 -14.282 322 HD3 ARG 41 HD3 ARG 41 -19.410 17.190 -14.567 323 HE ARG 41 HE ARG 41 -21.173 17.099 -12.409 324 HH11 ARG 41 HH11 ARG 41 -21.229 17.779 -15.823 325 HH12 ARG 41 HH12 ARG 41 -22.866 17.250 -16.034 326 HH21 ARG 41 HH21 ARG 41 -23.328 16.400 -12.674 327 HH22 ARG 41 HH22 ARG 41 -24.059 16.467 -14.242 328 H ALA 42 H ALA 42 -14.688 16.328 -13.687 329 HA ALA 42 HA ALA 42 -14.350 13.978 -12.142 330 HB1 ALA 42 HB1 ALA 42 -12.233 13.805 -13.679 331 HB2 ALA 42 HB2 ALA 42 -13.852 13.617 -14.352 332 HB3 ALA 42 HB3 ALA 42 -12.999 15.150 -14.525 333 H LEU 43 H LEU 43 -12.868 17.099 -12.058 334 HA LEU 43 HA LEU 43 -10.592 16.184 -10.500 335 HB2 LEU 43 HB2 LEU 43 -11.288 18.538 -12.018 336 HB3 LEU 43 HB3 LEU 43 -10.692 18.972 -10.417 337 HG LEU 43 HG LEU 43 -8.663 17.565 -10.908 338 HD11 LEU 43 HD11 LEU 43 -10.195 17.101 -13.343 339 HD12 LEU 43 HD12 LEU 43 -8.851 16.191 -12.656 340 HD13 LEU 43 HD13 LEU 43 -8.535 17.615 -13.646 341 HD21 LEU 43 HD21 LEU 43 -9.224 20.182 -11.496 342 HD22 LEU 43 HD22 LEU 43 -8.586 19.575 -13.023 343 HD23 LEU 43 HD23 LEU 43 -7.625 19.439 -11.550 344 H GLY 44 H GLY 44 -13.675 17.771 -10.035 345 HA2 GLY 44 HA2 GLY 44 -13.072 18.119 -7.174 346 HA3 GLY 44 HA3 GLY 44 -14.366 18.928 -8.046 347 H ALA 45 H ALA 45 -16.352 18.141 -7.811 348 HA ALA 45 HA ALA 45 -16.686 15.307 -7.122 349 HB1 ALA 45 HB1 ALA 45 -17.786 17.657 -5.609 350 HB2 ALA 45 HB2 ALA 45 -18.505 16.050 -5.506 351 HB3 ALA 45 HB3 ALA 45 -16.836 16.303 -4.999 352 H ASN 46 H ASN 46 -18.947 18.043 -7.308 353 HA ASN 46 HA ASN 46 -19.937 17.488 -9.878 354 HB2 ASN 46 HB2 ASN 46 -20.686 15.450 -8.374 355 HB3 ASN 46 HB3 ASN 46 -21.934 16.575 -7.848 356 HD21 ASN 46 HD21 ASN 46 -23.749 16.401 -8.922 357 HD22 ASN 46 HD22 ASN 46 -23.920 15.928 -10.575 358 HA PRO 47 HA PRO 47 -21.210 21.439 -7.744 359 HB2 PRO 47 HB2 PRO 47 -20.087 23.090 -9.584 360 HB3 PRO 47 HB3 PRO 47 -19.201 22.460 -8.190 361 HG2 PRO 47 HG2 PRO 47 -19.196 21.505 -11.028 362 HG3 PRO 47 HG3 PRO 47 -17.831 21.711 -9.914 363 HD2 PRO 47 HD2 PRO 47 -18.953 19.298 -10.413 364 HD3 PRO 47 HD3 PRO 47 -18.244 19.714 -8.840 365 H THR 48 H THR 48 -22.347 23.350 -8.874 366 HA THR 48 HA THR 48 -24.286 22.211 -10.739 367 HB THR 48 HB THR 48 -24.852 24.941 -9.971 368 HG1 THR 48 HG1 THR 48 -24.277 23.068 -7.906 369 HG21 THR 48 HG21 THR 48 -26.799 23.520 -8.837 370 HG22 THR 48 HG22 THR 48 -26.153 22.272 -9.902 371 HG23 THR 48 HG23 THR 48 -26.731 23.795 -10.577 372 H LYS 49 H LYS 49 -24.971 23.370 -12.623 373 HA LYS 49 HA LYS 49 -22.857 24.319 -14.211 374 HB2 LYS 49 HB2 LYS 49 -25.833 24.239 -14.499 375 HB3 LYS 49 HB3 LYS 49 -24.890 25.176 -15.650 376 HG2 LYS 49 HG2 LYS 49 -23.625 22.672 -15.418 377 HG3 LYS 49 HG3 LYS 49 -25.357 22.363 -15.568 378 HD2 LYS 49 HD2 LYS 49 -25.455 23.688 -17.590 379 HD3 LYS 49 HD3 LYS 49 -23.757 24.138 -17.412 380 HE2 LYS 49 HE2 LYS 49 -23.532 22.423 -18.897 381 HE3 LYS 49 HE3 LYS 49 -23.443 21.510 -17.391 382 HZ1 LYS 49 HZ1 LYS 49 -25.115 20.938 -19.395 383 HZ2 LYS 49 HZ2 LYS 49 -26.115 21.905 -18.433 384 HZ3 LYS 49 HZ3 LYS 49 -25.401 20.518 -17.782 385 H GLN 50 H GLN 50 -25.263 25.979 -12.266 386 HA GLN 50 HA GLN 50 -24.764 28.585 -13.266 387 HB2 GLN 50 HB2 GLN 50 -26.805 27.893 -11.994 388 HB3 GLN 50 HB3 GLN 50 -25.821 27.830 -10.538 389 HG2 GLN 50 HG2 GLN 50 -25.609 30.108 -10.413 390 HG3 GLN 50 HG3 GLN 50 -25.863 30.335 -12.143 391 HE21 GLN 50 HE21 GLN 50 -27.280 32.052 -11.175 392 HE22 GLN 50 HE22 GLN 50 -28.920 31.621 -10.847 393 H LYS 51 H LYS 51 -23.359 26.665 -10.682 394 HA LYS 51 HA LYS 51 -21.852 28.776 -9.513 395 HB2 LYS 51 HB2 LYS 51 -21.171 25.841 -9.389 396 HB3 LYS 51 HB3 LYS 51 -20.783 27.090 -8.213 397 HG2 LYS 51 HG2 LYS 51 -23.541 26.055 -8.840 398 HG3 LYS 51 HG3 LYS 51 -22.574 25.649 -7.420 399 HD2 LYS 51 HD2 LYS 51 -22.567 28.385 -7.365 400 HD3 LYS 51 HD3 LYS 51 -24.179 28.029 -7.990 401 HE2 LYS 51 HE2 LYS 51 -24.078 26.247 -5.993 402 HE3 LYS 51 HE3 LYS 51 -22.996 27.473 -5.334 403 HZ1 LYS 51 HZ1 LYS 51 -24.681 29.071 -5.361 404 HZ2 LYS 51 HZ2 LYS 51 -25.448 27.677 -4.787 405 HZ3 LYS 51 HZ3 LYS 51 -25.670 28.164 -6.391 406 H ILE 52 H ILE 52 -20.985 26.137 -11.739 407 HA ILE 52 HA ILE 52 -18.292 26.916 -12.067 408 HB ILE 52 HB ILE 52 -19.043 24.671 -12.647 409 HG12 ILE 52 HG12 ILE 52 -17.926 24.476 -14.857 410 HG13 ILE 52 HG13 ILE 52 -17.989 26.228 -15.020 411 HG21 ILE 52 HG21 ILE 52 -21.266 25.300 -13.500 412 HG22 ILE 52 HG22 ILE 52 -20.506 25.960 -14.947 413 HG23 ILE 52 HG23 ILE 52 -20.399 24.233 -14.605 414 HD11 ILE 52 HD11 ILE 52 -16.568 24.804 -12.787 415 HD12 ILE 52 HD12 ILE 52 -15.793 25.325 -14.283 416 HD13 ILE 52 HD13 ILE 52 -16.494 26.519 -13.189 417 H SER 53 H SER 53 -21.255 27.790 -13.745 418 HA SER 53 HA SER 53 -20.070 29.092 -15.948 419 HB2 SER 53 HB2 SER 53 -22.251 30.077 -16.329 420 HB3 SER 53 HB3 SER 53 -22.468 28.402 -15.819 421 HG SER 53 HG SER 53 -23.743 30.258 -14.786 422 H GLU 54 H GLU 54 -20.810 30.132 -12.688 423 HA GLU 54 HA GLU 54 -20.404 32.918 -13.170 424 HB2 GLU 54 HB2 GLU 54 -21.715 31.868 -11.253 425 HB3 GLU 54 HB3 GLU 54 -20.161 31.524 -10.509 426 HG2 GLU 54 HG2 GLU 54 -19.634 33.886 -10.445 427 HG3 GLU 54 HG3 GLU 54 -21.147 34.264 -11.268 428 H ILE 55 H ILE 55 -18.370 30.243 -12.159 429 HA ILE 55 HA ILE 55 -16.128 31.869 -11.440 430 HB ILE 55 HB ILE 55 -16.238 28.921 -12.091 431 HG12 ILE 55 HG12 ILE 55 -17.646 29.591 -10.168 432 HG13 ILE 55 HG13 ILE 55 -16.287 28.584 -9.679 433 HG21 ILE 55 HG21 ILE 55 -14.129 29.414 -10.353 434 HG22 ILE 55 HG22 ILE 55 -14.017 29.025 -12.069 435 HG23 ILE 55 HG23 ILE 55 -14.034 30.709 -11.546 436 HD11 ILE 55 HD11 ILE 55 -15.618 30.132 -8.256 437 HD12 ILE 55 HD12 ILE 55 -15.517 31.327 -9.549 438 HD13 ILE 55 HD13 ILE 55 -17.033 31.096 -8.677 439 H VAL 56 H VAL 56 -17.218 30.251 -14.352 440 HA VAL 56 HA VAL 56 -14.776 30.538 -15.796 441 HB VAL 56 HB VAL 56 -17.586 30.120 -16.827 442 HG11 VAL 56 HG11 VAL 56 -14.904 30.041 -18.175 443 HG12 VAL 56 HG12 VAL 56 -16.300 29.174 -18.819 444 HG13 VAL 56 HG13 VAL 56 -16.351 30.929 -18.649 445 HG21 VAL 56 HG21 VAL 56 -15.894 27.837 -17.074 446 HG22 VAL 56 HG22 VAL 56 -15.857 28.398 -15.402 447 HG23 VAL 56 HG23 VAL 56 -17.397 28.007 -16.167 448 H LYS 57 H LYS 57 -17.742 32.436 -15.540 449 HA LYS 57 HA LYS 57 -17.007 34.320 -17.558 450 HB2 LYS 57 HB2 LYS 57 -18.951 35.544 -16.898 451 HB3 LYS 57 HB3 LYS 57 -19.360 33.835 -16.827 452 HG2 LYS 57 HG2 LYS 57 -19.151 33.830 -14.433 453 HG3 LYS 57 HG3 LYS 57 -18.568 35.496 -14.444 454 HD2 LYS 57 HD2 LYS 57 -20.894 35.481 -13.819 455 HD3 LYS 57 HD3 LYS 57 -20.737 36.196 -15.425 456 HE2 LYS 57 HE2 LYS 57 -21.409 34.092 -16.444 457 HE3 LYS 57 HE3 LYS 57 -21.508 33.335 -14.855 458 HZ1 LYS 57 HZ1 LYS 57 -23.660 34.145 -15.882 459 HZ2 LYS 57 HZ2 LYS 57 -23.120 35.714 -15.551 460 HZ3 LYS 57 HZ3 LYS 57 -23.359 34.618 -14.286 461 H ASP 58 H ASP 58 -16.369 33.978 -14.173 462 HA ASP 58 HA ASP 58 -15.476 36.730 -13.885 463 HB2 ASP 58 HB2 ASP 58 -16.660 35.199 -12.095 464 HB3 ASP 58 HB3 ASP 58 -15.016 34.643 -11.793 465 H TYR 59 H TYR 59 -14.147 33.519 -14.279 466 HA TYR 59 HA TYR 59 -11.433 34.400 -13.782 467 HB2 TYR 59 HB2 TYR 59 -12.338 32.096 -13.197 468 HB3 TYR 59 HB3 TYR 59 -12.298 31.742 -14.920 469 HD1 TYR 59 HD1 TYR 59 -10.073 32.997 -12.194 470 HD2 TYR 59 HD2 TYR 59 -10.394 30.774 -15.808 471 HE1 TYR 59 HE1 TYR 59 -7.708 32.350 -12.000 472 HE2 TYR 59 HE2 TYR 59 -8.030 30.120 -15.623 473 HH TYR 59 HH TYR 59 -6.317 30.127 -13.046 474 H ASP 60 H ASP 60 -13.555 33.895 -16.480 475 HA ASP 60 HA ASP 60 -11.341 34.558 -18.311 476 HB2 ASP 60 HB2 ASP 60 -13.828 32.985 -19.007 477 HB3 ASP 60 HB3 ASP 60 -12.442 33.288 -20.051 478 H LYS 61 H LYS 61 -11.990 36.789 -17.641 479 HA LYS 61 HA LYS 61 -14.348 37.719 -19.141 480 HB2 LYS 61 HB2 LYS 61 -14.368 39.665 -17.670 481 HB3 LYS 61 HB3 LYS 61 -14.442 38.181 -16.730 482 HG2 LYS 61 HG2 LYS 61 -11.922 38.418 -16.461 483 HG3 LYS 61 HG3 LYS 61 -12.130 40.061 -17.071 484 HD2 LYS 61 HD2 LYS 61 -13.428 40.702 -15.233 485 HD3 LYS 61 HD3 LYS 61 -13.770 39.032 -14.777 486 HE2 LYS 61 HE2 LYS 61 -11.352 38.758 -14.240 487 HE3 LYS 61 HE3 LYS 61 -11.135 40.480 -14.547 488 HZ1 LYS 61 HZ1 LYS 61 -11.436 40.391 -12.276 489 HZ2 LYS 61 HZ2 LYS 61 -12.596 39.162 -12.355 490 HZ3 LYS 61 HZ3 LYS 61 -13.002 40.738 -12.814 491 H ASP 62 H ASP 62 -10.922 37.925 -18.824 492 HA ASP 62 HA ASP 62 -10.722 40.309 -20.479 493 HB2 ASP 62 HB2 ASP 62 -8.448 40.351 -19.952 494 HB3 ASP 62 HB3 ASP 62 -9.177 39.686 -18.493 495 H ASN 63 H ASN 63 -11.569 37.350 -21.219 496 HA ASN 63 HA ASN 63 -10.225 37.431 -23.821 497 HB2 ASN 63 HB2 ASN 63 -10.041 35.277 -21.807 498 HB3 ASN 63 HB3 ASN 63 -10.389 34.744 -23.449 499 HD21 ASN 63 HD21 ASN 63 -8.925 35.477 -25.141 500 HD22 ASN 63 HD22 ASN 63 -7.256 35.704 -24.758 501 H SER 64 H SER 64 -12.408 35.101 -22.256 502 HA SER 64 HA SER 64 -14.778 35.986 -23.473 503 HB2 SER 64 HB2 SER 64 -13.165 34.902 -25.379 504 HB3 SER 64 HB3 SER 64 -14.068 33.479 -24.862 505 HG SER 64 HG SER 64 -15.189 35.945 -25.717 506 H GLY 65 H GLY 65 -16.201 33.686 -23.826 507 HA2 GLY 65 HA2 GLY 65 -16.194 32.605 -21.102 508 HA3 GLY 65 HA3 GLY 65 -17.527 32.523 -22.244 509 H LYS 66 H LYS 66 -14.266 31.698 -23.166 510 HA LYS 66 HA LYS 66 -15.057 28.860 -23.246 511 HB2 LYS 66 HB2 LYS 66 -13.755 30.597 -25.279 512 HB3 LYS 66 HB3 LYS 66 -13.207 28.930 -25.174 513 HG2 LYS 66 HG2 LYS 66 -14.859 28.683 -26.710 514 HG3 LYS 66 HG3 LYS 66 -15.804 28.448 -25.238 515 HD2 LYS 66 HD2 LYS 66 -16.353 30.887 -25.299 516 HD3 LYS 66 HD3 LYS 66 -15.562 30.969 -26.875 517 HE2 LYS 66 HE2 LYS 66 -18.000 29.366 -26.122 518 HE3 LYS 66 HE3 LYS 66 -17.917 30.734 -27.231 519 HZ1 LYS 66 HZ1 LYS 66 -17.672 29.222 -28.823 520 HZ2 LYS 66 HZ2 LYS 66 -17.397 27.967 -27.721 521 HZ3 LYS 66 HZ3 LYS 66 -16.113 28.945 -28.228 522 H PHE 67 H PHE 67 -13.142 27.359 -23.319 523 HA PHE 67 HA PHE 67 -10.982 28.386 -21.598 524 HB2 PHE 67 HB2 PHE 67 -12.799 26.177 -21.199 525 HB3 PHE 67 HB3 PHE 67 -11.135 25.604 -21.233 526 HD1 PHE 67 HD1 PHE 67 -13.109 28.405 -19.754 527 HD2 PHE 67 HD2 PHE 67 -10.017 25.527 -19.238 528 HE1 PHE 67 HE1 PHE 67 -12.812 29.147 -17.427 529 HE2 PHE 67 HE2 PHE 67 -9.715 26.263 -16.909 530 HZ PHE 67 HZ PHE 67 -11.113 28.077 -16.002 531 H ASP 68 H ASP 68 -8.918 27.946 -22.165 532 HA ASP 68 HA ASP 68 -8.526 26.379 -24.628 533 HB2 ASP 68 HB2 ASP 68 -7.912 28.666 -25.001 534 HB3 ASP 68 HB3 ASP 68 -6.976 28.718 -23.510 535 H GLN 69 H GLN 69 -7.082 24.734 -24.663 536 HA GLN 69 HA GLN 69 -6.410 23.345 -22.395 537 HB2 GLN 69 HB2 GLN 69 -5.278 23.387 -25.164 538 HB3 GLN 69 HB3 GLN 69 -4.477 22.430 -23.925 539 HG2 GLN 69 HG2 GLN 69 -6.213 21.288 -25.418 540 HG3 GLN 69 HG3 GLN 69 -6.281 20.998 -23.681 541 HE21 GLN 69 HE21 GLN 69 -7.565 23.233 -26.118 542 HE22 GLN 69 HE22 GLN 69 -9.152 23.329 -25.443 543 H GLU 70 H GLU 70 -4.499 25.800 -24.075 544 HA GLU 70 HA GLU 70 -2.112 25.557 -22.678 545 HB2 GLU 70 HB2 GLU 70 -2.774 27.080 -24.690 546 HB3 GLU 70 HB3 GLU 70 -3.177 28.253 -23.444 547 HG2 GLU 70 HG2 GLU 70 -1.047 28.883 -23.682 548 HG3 GLU 70 HG3 GLU 70 -0.712 27.503 -22.638 549 H THR 71 H THR 71 -5.071 27.265 -21.817 550 HA THR 71 HA THR 71 -4.054 28.611 -19.550 551 HB THR 71 HB THR 71 -6.892 27.757 -20.152 552 HG1 THR 71 HG1 THR 71 -5.542 29.379 -21.506 553 HG21 THR 71 HG21 THR 71 -7.374 29.749 -18.599 554 HG22 THR 71 HG22 THR 71 -5.717 29.537 -18.036 555 HG23 THR 71 HG23 THR 71 -6.883 28.227 -17.856 556 H PHE 72 H PHE 72 -5.710 25.499 -19.932 557 HA PHE 72 HA PHE 72 -5.788 24.891 -17.162 558 HB2 PHE 72 HB2 PHE 72 -6.840 23.774 -19.476 559 HB3 PHE 72 HB3 PHE 72 -5.704 22.557 -18.905 560 HD1 PHE 72 HD1 PHE 72 -5.877 22.631 -16.060 561 HD2 PHE 72 HD2 PHE 72 -8.975 23.137 -18.934 562 HE1 PHE 72 HE1 PHE 72 -7.531 21.861 -14.408 563 HE2 PHE 72 HE2 PHE 72 -10.634 22.369 -17.287 564 HZ PHE 72 HZ PHE 72 -9.912 21.730 -15.021 565 H LEU 73 H LEU 73 -3.509 24.159 -19.753 566 HA LEU 73 HA LEU 73 -1.881 22.391 -18.250 567 HB2 LEU 73 HB2 LEU 73 -1.880 23.588 -20.871 568 HB3 LEU 73 HB3 LEU 73 -0.263 23.625 -20.171 569 HG LEU 73 HG LEU 73 -1.667 21.038 -19.998 570 HD11 LEU 73 HD11 LEU 73 -0.969 20.536 -22.382 571 HD12 LEU 73 HD12 LEU 73 -0.887 22.282 -22.619 572 HD13 LEU 73 HD13 LEU 73 -2.416 21.524 -22.175 573 HD21 LEU 73 HD21 LEU 73 1.061 21.563 -21.104 574 HD22 LEU 73 HD22 LEU 73 0.466 20.168 -20.205 575 HD23 LEU 73 HD23 LEU 73 0.762 21.693 -19.370 576 H THR 74 H THR 74 -1.892 25.872 -18.720 577 HA THR 74 HA THR 74 0.633 26.351 -17.493 578 HB THR 74 HB THR 74 -1.698 28.234 -17.903 579 HG1 THR 74 HG1 THR 74 0.612 27.623 -19.445 580 HG21 THR 74 HG21 THR 74 0.211 29.950 -17.782 581 HG22 THR 74 HG22 THR 74 1.130 28.672 -16.989 582 HG23 THR 74 HG23 THR 74 -0.368 29.259 -16.267 583 H ILE 75 H ILE 75 -2.716 26.438 -16.344 584 HA ILE 75 HA ILE 75 -2.130 27.381 -13.744 585 HB ILE 75 HB ILE 75 -4.483 25.742 -14.693 586 HG12 ILE 75 HG12 ILE 75 -4.564 28.678 -14.117 587 HG13 ILE 75 HG13 ILE 75 -3.906 28.127 -15.654 588 HG21 ILE 75 HG21 ILE 75 -5.016 25.573 -12.541 589 HG22 ILE 75 HG22 ILE 75 -3.700 26.645 -12.064 590 HG23 ILE 75 HG23 ILE 75 -5.258 27.320 -12.541 591 HD11 ILE 75 HD11 ILE 75 -6.233 28.688 -15.897 592 HD12 ILE 75 HD12 ILE 75 -6.014 26.951 -16.105 593 HD13 ILE 75 HD13 ILE 75 -6.667 27.583 -14.593 594 H MET 76 H MET 76 -2.609 24.110 -15.043 595 HA MET 76 HA MET 76 -2.257 22.780 -12.565 596 HB2 MET 76 HB2 MET 76 -2.225 20.762 -13.819 597 HB3 MET 76 HB3 MET 76 -3.351 21.836 -14.639 598 HG2 MET 76 HG2 MET 76 -1.630 22.390 -16.279 599 HG3 MET 76 HG3 MET 76 -0.502 21.316 -15.456 600 HE1 MET 76 HE1 MET 76 -0.152 18.944 -17.250 601 HE2 MET 76 HE2 MET 76 -1.041 19.469 -18.681 602 HE3 MET 76 HE3 MET 76 -0.097 20.634 -17.752 603 H LEU 77 H LEU 77 -0.059 23.957 -14.997 604 HA LEU 77 HA LEU 77 2.207 22.462 -14.064 605 HB2 LEU 77 HB2 LEU 77 2.039 23.218 -16.379 606 HB3 LEU 77 HB3 LEU 77 2.047 24.895 -15.838 607 HG LEU 77 HG LEU 77 4.367 24.316 -14.845 608 HD11 LEU 77 HD11 LEU 77 3.707 21.810 -15.820 609 HD12 LEU 77 HD12 LEU 77 5.302 22.351 -15.299 610 HD13 LEU 77 HD13 LEU 77 4.852 22.446 -17.001 611 HD21 LEU 77 HD21 LEU 77 4.483 24.287 -17.804 612 HD22 LEU 77 HD22 LEU 77 5.296 25.338 -16.644 613 HD23 LEU 77 HD23 LEU 77 3.601 25.614 -17.046 614 H GLU 78 H GLU 78 0.892 25.681 -13.529 615 HA GLU 78 HA GLU 78 3.140 26.638 -12.047 616 HB2 GLU 78 HB2 GLU 78 1.271 27.977 -13.269 617 HB3 GLU 78 HB3 GLU 78 0.370 27.758 -11.775 618 HG2 GLU 78 HG2 GLU 78 1.371 29.573 -11.007 619 HG3 GLU 78 HG3 GLU 78 2.870 28.647 -10.958 620 H TYR 79 H TYR 79 0.224 24.896 -11.280 621 HA TYR 79 HA TYR 79 0.329 25.364 -8.458 622 HB2 TYR 79 HB2 TYR 79 -1.452 24.098 -10.306 623 HB3 TYR 79 HB3 TYR 79 -1.098 22.971 -9.002 624 HD1 TYR 79 HD1 TYR 79 -1.113 24.211 -6.581 625 HD2 TYR 79 HD2 TYR 79 -3.317 25.411 -10.016 626 HE1 TYR 79 HE1 TYR 79 -2.726 25.373 -5.132 627 HE2 TYR 79 HE2 TYR 79 -4.936 26.578 -8.578 628 HH TYR 79 HH TYR 79 -4.677 26.452 -5.045 629 H GLY 80 H GLY 80 1.592 22.937 -10.650 630 HA2 GLY 80 HA2 GLY 80 3.473 21.597 -10.205 631 HA3 GLY 80 HA3 GLY 80 3.265 21.914 -8.489 632 H GLN 81 H GLN 81 0.294 21.239 -8.976 633 HA GLN 81 HA GLN 81 0.072 18.559 -9.739 634 HB2 GLN 81 HB2 GLN 81 1.430 18.791 -7.326 635 HB3 GLN 81 HB3 GLN 81 -0.219 18.408 -6.847 636 HG2 GLN 81 HG2 GLN 81 -0.200 16.367 -7.974 637 HG3 GLN 81 HG3 GLN 81 1.203 16.813 -8.944 638 HE21 GLN 81 HE21 GLN 81 0.196 14.980 -6.421 639 HE22 GLN 81 HE22 GLN 81 1.697 14.774 -5.590 640 H GLU 82 H GLU 82 -1.037 21.134 -7.624 641 HA GLU 82 HA GLU 82 -3.116 21.994 -7.264 642 HB2 GLU 82 HB2 GLU 82 -3.334 20.683 -9.795 643 HB3 GLU 82 HB3 GLU 82 -4.812 20.397 -8.888 644 HG2 GLU 82 HG2 GLU 82 -4.381 23.068 -8.481 645 HG3 GLU 82 HG3 GLU 82 -3.818 22.834 -10.135 646 H VAL 83 H VAL 83 -4.024 18.663 -8.105 647 HA VAL 83 HA VAL 83 -5.449 18.413 -5.592 648 HB VAL 83 HB VAL 83 -6.545 17.566 -7.576 649 HG11 VAL 83 HG11 VAL 83 -3.948 16.583 -8.198 650 HG12 VAL 83 HG12 VAL 83 -5.072 15.223 -8.168 651 HG13 VAL 83 HG13 VAL 83 -5.391 16.609 -9.211 652 HG21 VAL 83 HG21 VAL 83 -5.661 15.247 -5.862 653 HG22 VAL 83 HG22 VAL 83 -6.898 16.419 -5.405 654 HG23 VAL 83 HG23 VAL 83 -7.151 15.368 -6.799 655 H ASP 84 H ASP 84 -5.003 16.950 -3.969 656 HA ASP 84 HA ASP 84 -2.267 15.886 -3.976 657 HB2 ASP 84 HB2 ASP 84 -4.051 16.996 -1.906 658 HB3 ASP 84 HB3 ASP 84 -3.121 15.586 -1.407 659 H SER 85 H SER 85 -5.616 14.978 -3.752 660 HA SER 85 HA SER 85 -4.983 12.244 -2.986 661 HB2 SER 85 HB2 SER 85 -6.994 13.401 -2.070 662 HB3 SER 85 HB3 SER 85 -7.667 13.452 -3.699 663 HG SER 85 HG SER 85 -7.146 11.200 -2.074 Start of MODEL 2 1 H1 MET 1 H1 MET 1 5.433 -0.883 -3.911 2 HA MET 1 HA MET 1 7.806 -2.281 -4.762 3 HB2 MET 1 HB2 MET 1 4.936 -2.442 -5.264 4 HB3 MET 1 HB3 MET 1 5.892 -2.683 -6.720 5 HG2 MET 1 HG2 MET 1 7.241 -4.294 -5.101 6 HG3 MET 1 HG3 MET 1 5.679 -4.350 -4.286 7 HE1 MET 1 HE1 MET 1 3.314 -5.905 -6.882 8 HE2 MET 1 HE2 MET 1 3.532 -5.286 -5.244 9 HE3 MET 1 HE3 MET 1 3.531 -4.175 -6.615 10 H SER 2 H SER 2 5.561 -0.011 -6.357 11 HA SER 2 HA SER 2 7.780 1.282 -7.694 12 HB2 SER 2 HB2 SER 2 7.328 -0.568 -9.224 13 HB3 SER 2 HB3 SER 2 5.620 -0.135 -9.275 14 HG SER 2 HG SER 2 7.655 0.850 -10.724 15 H GLU 3 H GLU 3 7.377 3.357 -7.340 16 HA GLU 3 HA GLU 3 4.749 4.352 -6.821 17 HB2 GLU 3 HB2 GLU 3 7.496 5.476 -6.895 18 HB3 GLU 3 HB3 GLU 3 6.170 6.606 -7.122 19 HG2 GLU 3 HG2 GLU 3 5.179 5.832 -5.007 20 HG3 GLU 3 HG3 GLU 3 6.565 4.769 -4.772 21 H GLN 4 H GLN 4 3.891 6.297 -7.990 22 HA GLN 4 HA GLN 4 4.569 6.423 -10.818 23 HB2 GLN 4 HB2 GLN 4 1.766 5.787 -9.879 24 HB3 GLN 4 HB3 GLN 4 2.262 6.063 -11.544 25 HG2 GLN 4 HG2 GLN 4 3.663 4.078 -11.474 26 HG3 GLN 4 HG3 GLN 4 3.208 3.806 -9.793 27 HE21 GLN 4 HE21 GLN 4 2.777 1.759 -11.352 28 HE22 GLN 4 HE22 GLN 4 1.109 1.579 -11.762 29 H LYS 5 H LYS 5 3.963 8.340 -11.818 30 HA LYS 5 HA LYS 5 2.808 10.384 -10.036 31 HB2 LYS 5 HB2 LYS 5 5.193 10.451 -11.817 32 HB3 LYS 5 HB3 LYS 5 4.227 11.916 -11.698 33 HG2 LYS 5 HG2 LYS 5 5.228 12.431 -9.797 34 HG3 LYS 5 HG3 LYS 5 4.653 10.927 -9.072 35 HD2 LYS 5 HD2 LYS 5 7.035 10.965 -8.881 36 HD3 LYS 5 HD3 LYS 5 6.614 9.772 -10.112 37 HE2 LYS 5 HE2 LYS 5 7.079 11.448 -11.856 38 HE3 LYS 5 HE3 LYS 5 7.551 12.598 -10.606 39 HZ1 LYS 5 HZ1 LYS 5 9.219 10.879 -11.871 40 HZ2 LYS 5 HZ2 LYS 5 8.920 10.081 -10.410 41 HZ3 LYS 5 HZ3 LYS 5 9.543 11.653 -10.403 42 H LYS 6 H LYS 6 0.891 11.055 -10.709 43 HA LYS 6 HA LYS 6 0.228 10.848 -13.563 44 HB2 LYS 6 HB2 LYS 6 -1.688 11.328 -11.281 45 HB3 LYS 6 HB3 LYS 6 -2.076 10.831 -12.923 46 HG2 LYS 6 HG2 LYS 6 -0.575 9.183 -10.898 47 HG3 LYS 6 HG3 LYS 6 -2.270 8.982 -11.348 48 HD2 LYS 6 HD2 LYS 6 0.060 8.733 -13.248 49 HD3 LYS 6 HD3 LYS 6 -0.763 7.374 -12.479 50 HE2 LYS 6 HE2 LYS 6 -1.999 9.387 -14.355 51 HE3 LYS 6 HE3 LYS 6 -1.591 7.716 -14.741 52 HZ1 LYS 6 HZ1 LYS 6 -3.896 8.765 -13.403 53 HZ2 LYS 6 HZ2 LYS 6 -3.166 7.511 -12.533 54 HZ3 LYS 6 HZ3 LYS 6 -3.664 7.253 -14.127 55 H VAL 7 H VAL 7 1.827 13.011 -12.316 56 HA VAL 7 HA VAL 7 0.258 15.241 -13.370 57 HB VAL 7 HB VAL 7 0.792 16.706 -11.520 58 HG11 VAL 7 HG11 VAL 7 -0.565 15.644 -9.742 59 HG12 VAL 7 HG12 VAL 7 -1.290 15.502 -11.344 60 HG13 VAL 7 HG13 VAL 7 -0.468 14.119 -10.621 61 HG21 VAL 7 HG21 VAL 7 2.493 14.440 -10.706 62 HG22 VAL 7 HG22 VAL 7 2.727 16.174 -10.487 63 HG23 VAL 7 HG23 VAL 7 1.658 15.284 -9.403 64 H LEU 8 H LEU 8 1.494 16.955 -14.180 65 HA LEU 8 HA LEU 8 3.249 17.821 -15.348 66 HB2 LEU 8 HB2 LEU 8 4.469 16.972 -12.751 67 HB3 LEU 8 HB3 LEU 8 5.475 17.672 -14.018 68 HG LEU 8 HG LEU 8 4.868 19.365 -12.403 69 HD11 LEU 8 HD11 LEU 8 4.738 19.653 -15.064 70 HD12 LEU 8 HD12 LEU 8 4.474 20.980 -13.932 71 HD13 LEU 8 HD13 LEU 8 3.096 20.134 -14.635 72 HD21 LEU 8 HD21 LEU 8 2.785 18.284 -11.618 73 HD22 LEU 8 HD22 LEU 8 1.995 18.786 -13.113 74 HD23 LEU 8 HD23 LEU 8 2.583 20.000 -11.975 75 H THR 9 H THR 9 2.568 15.024 -15.843 76 HA THR 9 HA THR 9 5.126 14.199 -17.029 77 HB THR 9 HB THR 9 4.009 11.776 -16.595 78 HG1 THR 9 HG1 THR 9 2.525 11.965 -15.105 79 HG21 THR 9 HG21 THR 9 6.294 12.244 -16.083 80 HG22 THR 9 HG22 THR 9 5.550 11.617 -14.613 81 HG23 THR 9 HG23 THR 9 5.839 13.349 -14.784 82 H ALA 10 H ALA 10 4.731 12.408 -18.701 83 HA ALA 10 HA ALA 10 3.187 13.366 -20.775 84 HB1 ALA 10 HB1 ALA 10 4.979 11.352 -20.509 85 HB2 ALA 10 HB2 ALA 10 3.485 10.444 -20.743 86 HB3 ALA 10 HB3 ALA 10 3.995 11.627 -21.947 87 H GLU 11 H GLU 11 2.309 11.068 -18.249 88 HA GLU 11 HA GLU 11 -0.118 10.169 -19.292 89 HB2 GLU 11 HB2 GLU 11 1.014 10.403 -16.537 90 HB3 GLU 11 HB3 GLU 11 -0.688 10.004 -16.719 91 HG2 GLU 11 HG2 GLU 11 -0.259 7.921 -17.413 92 HG3 GLU 11 HG3 GLU 11 1.115 8.422 -18.398 93 H GLU 12 H GLU 12 0.518 12.895 -17.094 94 HA GLU 12 HA GLU 12 -2.146 13.758 -16.874 95 HB2 GLU 12 HB2 GLU 12 -0.540 14.551 -15.292 96 HB3 GLU 12 HB3 GLU 12 0.471 15.227 -16.562 97 HG2 GLU 12 HG2 GLU 12 -0.656 17.140 -16.584 98 HG3 GLU 12 HG3 GLU 12 -2.216 16.319 -16.593 99 H GLN 13 H GLN 13 0.413 14.610 -19.156 100 HA GLN 13 HA GLN 13 -0.866 16.720 -20.459 101 HB2 GLN 13 HB2 GLN 13 1.533 16.022 -20.731 102 HB3 GLN 13 HB3 GLN 13 0.972 14.704 -21.753 103 HG2 GLN 13 HG2 GLN 13 -0.093 17.265 -22.589 104 HG3 GLN 13 HG3 GLN 13 1.670 17.243 -22.573 105 HE21 GLN 13 HE21 GLN 13 2.100 17.153 -24.697 106 HE22 GLN 13 HE22 GLN 13 1.591 15.882 -25.750 107 H GLN 14 H GLN 14 -0.797 13.267 -21.340 108 HA GLN 14 HA GLN 14 -2.587 13.527 -23.513 109 HB2 GLN 14 HB2 GLN 14 -2.708 11.098 -23.474 110 HB3 GLN 14 HB3 GLN 14 -1.045 11.625 -23.258 111 HG2 GLN 14 HG2 GLN 14 -1.124 11.154 -20.920 112 HG3 GLN 14 HG3 GLN 14 -2.857 10.841 -20.991 113 HE21 GLN 14 HE21 GLN 14 -3.575 8.977 -22.172 114 HE22 GLN 14 HE22 GLN 14 -2.544 7.598 -22.315 115 H GLU 15 H GLU 15 -3.036 13.050 -20.085 116 HA GLU 15 HA GLU 15 -5.702 12.145 -20.128 117 HB2 GLU 15 HB2 GLU 15 -3.904 13.375 -18.106 118 HB3 GLU 15 HB3 GLU 15 -5.629 13.412 -17.774 119 HG2 GLU 15 HG2 GLU 15 -5.557 10.890 -18.301 120 HG3 GLU 15 HG3 GLU 15 -3.818 11.054 -18.061 121 H TYR 16 H TYR 16 -4.347 15.416 -19.815 122 HA TYR 16 HA TYR 16 -6.926 16.665 -19.772 123 HB2 TYR 16 HB2 TYR 16 -5.784 18.493 -19.136 124 HB3 TYR 16 HB3 TYR 16 -4.374 17.443 -19.066 125 HD1 TYR 16 HD1 TYR 16 -6.151 19.953 -21.089 126 HD2 TYR 16 HD2 TYR 16 -2.625 17.603 -20.700 127 HE1 TYR 16 HE1 TYR 16 -5.058 21.319 -22.817 128 HE2 TYR 16 HE2 TYR 16 -1.521 18.963 -22.427 129 HH TYR 16 HH TYR 16 -2.110 20.415 -24.283 130 H LYS 17 H LYS 17 -4.559 15.865 -22.206 131 HA LYS 17 HA LYS 17 -5.516 17.540 -24.269 132 HB2 LYS 17 HB2 LYS 17 -3.875 15.026 -24.211 133 HB3 LYS 17 HB3 LYS 17 -4.402 15.709 -25.744 134 HG2 LYS 17 HG2 LYS 17 -3.285 17.801 -24.182 135 HG3 LYS 17 HG3 LYS 17 -2.171 16.432 -24.160 136 HD2 LYS 17 HD2 LYS 17 -3.371 17.641 -26.651 137 HD3 LYS 17 HD3 LYS 17 -1.755 17.996 -26.034 138 HE2 LYS 17 HE2 LYS 17 -1.658 15.306 -26.097 139 HE3 LYS 17 HE3 LYS 17 -2.779 15.602 -27.425 140 HZ1 LYS 17 HZ1 LYS 17 -0.295 17.158 -27.298 141 HZ2 LYS 17 HZ2 LYS 17 -1.196 16.678 -28.648 142 HZ3 LYS 17 HZ3 LYS 17 -0.223 15.556 -27.838 143 H GLU 18 H GLU 18 -6.191 14.140 -23.479 144 HA GLU 18 HA GLU 18 -8.094 13.832 -25.592 145 HB2 GLU 18 HB2 GLU 18 -8.455 11.646 -24.753 146 HB3 GLU 18 HB3 GLU 18 -6.744 11.977 -24.513 147 HG2 GLU 18 HG2 GLU 18 -7.228 11.090 -22.488 148 HG3 GLU 18 HG3 GLU 18 -7.601 12.778 -22.145 149 H ALA 19 H ALA 19 -8.236 14.723 -22.212 150 HA ALA 19 HA ALA 19 -10.985 14.376 -21.772 151 HB1 ALA 19 HB1 ALA 19 -9.667 14.699 -19.865 152 HB2 ALA 19 HB2 ALA 19 -8.931 16.165 -20.513 153 HB3 ALA 19 HB3 ALA 19 -10.618 16.179 -19.999 154 H PHE 20 H PHE 20 -9.169 17.273 -22.771 155 HA PHE 20 HA PHE 20 -11.528 18.849 -23.122 156 HB2 PHE 20 HB2 PHE 20 -8.656 19.242 -23.285 157 HB3 PHE 20 HB3 PHE 20 -9.493 20.052 -24.605 158 HD1 PHE 20 HD1 PHE 20 -10.507 19.490 -21.068 159 HD2 PHE 20 HD2 PHE 20 -9.503 22.303 -24.101 160 HE1 PHE 20 HE1 PHE 20 -11.103 21.333 -19.550 161 HE2 PHE 20 HE2 PHE 20 -10.097 24.150 -22.588 162 HZ PHE 20 HZ PHE 20 -10.898 23.667 -20.310 163 H GLN 21 H GLN 21 -9.347 17.101 -25.291 164 HA GLN 21 HA GLN 21 -10.466 17.936 -27.719 165 HB2 GLN 21 HB2 GLN 21 -8.356 16.840 -27.767 166 HB3 GLN 21 HB3 GLN 21 -8.992 15.426 -26.938 167 HG2 GLN 21 HG2 GLN 21 -10.365 14.907 -28.899 168 HG3 GLN 21 HG3 GLN 21 -9.689 16.306 -29.730 169 HE21 GLN 21 HE21 GLN 21 -7.265 16.321 -29.856 170 HE22 GLN 21 HE22 GLN 21 -6.489 14.818 -30.206 171 H LEU 22 H LEU 22 -11.173 15.075 -25.731 172 HA LEU 22 HA LEU 22 -13.128 13.959 -27.393 173 HB2 LEU 22 HB2 LEU 22 -12.220 12.635 -25.654 174 HB3 LEU 22 HB3 LEU 22 -12.677 13.812 -24.425 175 HG LEU 22 HG LEU 22 -15.049 12.936 -25.720 176 HD11 LEU 22 HD11 LEU 22 -13.037 10.811 -25.232 177 HD12 LEU 22 HD12 LEU 22 -14.322 10.903 -26.435 178 HD13 LEU 22 HD13 LEU 22 -14.707 10.488 -24.764 179 HD21 LEU 22 HD21 LEU 22 -15.265 11.869 -23.320 180 HD22 LEU 22 HD22 LEU 22 -15.326 13.615 -23.555 181 HD23 LEU 22 HD23 LEU 22 -13.834 12.852 -23.005 182 H PHE 23 H PHE 23 -13.345 16.418 -24.883 183 HA PHE 23 HA PHE 23 -16.230 16.573 -25.096 184 HB2 PHE 23 HB2 PHE 23 -14.167 18.036 -23.463 185 HB3 PHE 23 HB3 PHE 23 -15.840 18.582 -23.524 186 HD1 PHE 23 HD1 PHE 23 -17.363 16.127 -23.478 187 HD2 PHE 23 HD2 PHE 23 -13.808 17.145 -21.372 188 HE1 PHE 23 HE1 PHE 23 -17.952 14.518 -21.712 189 HE2 PHE 23 HE2 PHE 23 -14.390 15.537 -19.604 190 HZ PHE 23 HZ PHE 23 -16.464 14.220 -19.772 191 H ASP 24 H ASP 24 -13.895 17.503 -27.098 192 HA ASP 24 HA ASP 24 -15.237 20.022 -27.834 193 HB2 ASP 24 HB2 ASP 24 -12.796 20.157 -27.148 194 HB3 ASP 24 HB3 ASP 24 -12.426 19.237 -28.604 195 H LYS 25 H LYS 25 -16.748 18.381 -28.855 196 HA LYS 25 HA LYS 25 -16.109 16.741 -30.976 197 HB2 LYS 25 HB2 LYS 25 -18.592 18.455 -30.811 198 HB3 LYS 25 HB3 LYS 25 -18.411 16.936 -31.680 199 HG2 LYS 25 HG2 LYS 25 -19.240 15.937 -29.883 200 HG3 LYS 25 HG3 LYS 25 -17.717 16.309 -29.073 201 HD2 LYS 25 HD2 LYS 25 -19.107 18.668 -28.861 202 HD3 LYS 25 HD3 LYS 25 -20.376 17.453 -28.689 203 HE2 LYS 25 HE2 LYS 25 -17.811 17.518 -27.103 204 HE3 LYS 25 HE3 LYS 25 -19.367 18.115 -26.531 205 HZ1 LYS 25 HZ1 LYS 25 -20.227 15.810 -26.948 206 HZ2 LYS 25 HZ2 LYS 25 -19.117 15.948 -25.678 207 HZ3 LYS 25 HZ3 LYS 25 -18.622 15.320 -27.169 208 H ASP 26 H ASP 26 -16.350 20.219 -30.890 209 HA ASP 26 HA ASP 26 -16.280 20.509 -33.762 210 HB2 ASP 26 HB2 ASP 26 -15.805 22.654 -31.688 211 HB3 ASP 26 HB3 ASP 26 -16.300 22.872 -33.364 212 H ASN 27 H ASN 27 -14.522 22.537 -34.208 213 HA ASN 27 HA ASN 27 -11.922 21.273 -33.632 214 HB2 ASN 27 HB2 ASN 27 -13.103 21.831 -36.102 215 HB3 ASN 27 HB3 ASN 27 -11.898 23.098 -35.891 216 HD21 ASN 27 HD21 ASN 27 -12.233 20.439 -37.470 217 HD22 ASN 27 HD22 ASN 27 -10.676 19.709 -37.307 218 H ASP 28 H ASP 28 -13.434 23.377 -32.122 219 HA ASP 28 HA ASP 28 -11.991 25.827 -32.502 220 HB2 ASP 28 HB2 ASP 28 -14.365 25.248 -31.346 221 HB3 ASP 28 HB3 ASP 28 -13.344 25.341 -29.914 222 H ASN 29 H ASN 29 -11.450 22.908 -30.785 223 HA ASN 29 HA ASN 29 -9.744 22.185 -29.465 224 HB2 ASN 29 HB2 ASN 29 -8.287 24.752 -30.069 225 HB3 ASN 29 HB3 ASN 29 -7.606 23.167 -29.712 226 HD21 ASN 29 HD21 ASN 29 -8.231 21.436 -31.312 227 HD22 ASN 29 HD22 ASN 29 -8.205 21.880 -32.981 228 H LYS 30 H LYS 30 -11.870 24.121 -28.515 229 HA LYS 30 HA LYS 30 -10.614 24.686 -25.927 230 HB2 LYS 30 HB2 LYS 30 -12.334 26.627 -27.481 231 HB3 LYS 30 HB3 LYS 30 -11.828 26.851 -25.811 232 HG2 LYS 30 HG2 LYS 30 -9.742 27.470 -26.385 233 HG3 LYS 30 HG3 LYS 30 -9.665 26.347 -27.744 234 HD2 LYS 30 HD2 LYS 30 -9.705 28.377 -28.834 235 HD3 LYS 30 HD3 LYS 30 -11.422 27.967 -28.805 236 HE2 LYS 30 HE2 LYS 30 -11.918 29.717 -27.509 237 HE3 LYS 30 HE3 LYS 30 -10.571 29.395 -26.419 238 HZ1 LYS 30 HZ1 LYS 30 -9.250 30.850 -27.482 239 HZ2 LYS 30 HZ2 LYS 30 -10.711 31.526 -28.006 240 HZ3 LYS 30 HZ3 LYS 30 -9.856 30.473 -29.015 241 H LEU 31 H LEU 31 -12.316 25.207 -24.242 242 HA LEU 31 HA LEU 31 -14.823 23.766 -24.779 243 HB2 LEU 31 HB2 LEU 31 -12.794 23.282 -22.670 244 HB3 LEU 31 HB3 LEU 31 -14.490 23.129 -22.218 245 HG LEU 31 HG LEU 31 -14.736 21.471 -24.091 246 HD11 LEU 31 HD11 LEU 31 -13.083 21.339 -25.567 247 HD12 LEU 31 HD12 LEU 31 -12.123 20.546 -24.318 248 HD13 LEU 31 HD13 LEU 31 -12.007 22.291 -24.545 249 HD21 LEU 31 HD21 LEU 31 -13.300 19.713 -22.810 250 HD22 LEU 31 HD22 LEU 31 -14.675 20.477 -22.013 251 HD23 LEU 31 HD23 LEU 31 -13.037 21.036 -21.674 252 H THR 32 H THR 32 -16.551 24.942 -24.307 253 HA THR 32 HA THR 32 -16.310 27.478 -23.002 254 HB THR 32 HB THR 32 -17.916 27.032 -24.866 255 HG1 THR 32 HG1 THR 32 -18.189 28.795 -23.354 256 HG21 THR 32 HG21 THR 32 -18.631 24.818 -23.485 257 HG22 THR 32 HG22 THR 32 -19.643 25.581 -24.711 258 HG23 THR 32 HG23 THR 32 -19.916 25.926 -23.003 259 H ALA 33 H ALA 33 -18.120 28.026 -21.324 260 HA ALA 33 HA ALA 33 -17.490 26.951 -18.895 261 HB1 ALA 33 HB1 ALA 33 -19.418 28.010 -18.001 262 HB2 ALA 33 HB2 ALA 33 -18.855 29.013 -19.339 263 HB3 ALA 33 HB3 ALA 33 -20.249 27.956 -19.556 264 H GLU 34 H GLU 34 -20.137 25.928 -21.032 265 HA GLU 34 HA GLU 34 -21.235 23.979 -19.348 266 HB2 GLU 34 HB2 GLU 34 -21.159 23.814 -22.359 267 HB3 GLU 34 HB3 GLU 34 -22.368 23.140 -21.276 268 HG2 GLU 34 HG2 GLU 34 -22.875 25.538 -20.605 269 HG3 GLU 34 HG3 GLU 34 -21.915 26.012 -22.004 270 H GLU 35 H GLU 35 -18.797 23.669 -21.919 271 HA GLU 35 HA GLU 35 -18.398 20.897 -21.634 272 HB2 GLU 35 HB2 GLU 35 -16.473 23.005 -22.633 273 HB3 GLU 35 HB3 GLU 35 -16.295 21.271 -22.865 274 HG2 GLU 35 HG2 GLU 35 -18.231 21.185 -24.256 275 HG3 GLU 35 HG3 GLU 35 -18.636 22.859 -23.884 276 H LEU 36 H LEU 36 -16.905 23.677 -20.069 277 HA LEU 36 HA LEU 36 -14.805 22.327 -18.782 278 HB2 LEU 36 HB2 LEU 36 -14.788 24.712 -18.926 279 HB3 LEU 36 HB3 LEU 36 -16.315 24.827 -18.053 280 HG LEU 36 HG LEU 36 -14.894 23.666 -16.143 281 HD11 LEU 36 HD11 LEU 36 -12.601 24.942 -16.308 282 HD12 LEU 36 HD12 LEU 36 -12.888 24.777 -18.039 283 HD13 LEU 36 HD13 LEU 36 -12.807 23.340 -17.018 284 HD21 LEU 36 HD21 LEU 36 -15.799 25.638 -15.481 285 HD22 LEU 36 HD22 LEU 36 -15.274 26.494 -16.932 286 HD23 LEU 36 HD23 LEU 36 -14.124 26.169 -15.635 287 H GLY 37 H GLY 37 -18.164 22.880 -17.855 288 HA2 GLY 37 HA2 GLY 37 -17.982 21.969 -15.197 289 HA3 GLY 37 HA3 GLY 37 -19.447 21.997 -16.168 290 H THR 38 H THR 38 -18.442 20.243 -18.228 291 HA THR 38 HA THR 38 -19.127 17.750 -17.039 292 HB THR 38 HB THR 38 -17.923 18.177 -19.777 293 HG1 THR 38 HG1 THR 38 -19.736 19.145 -20.244 294 HG21 THR 38 HG21 THR 38 -18.038 15.840 -18.946 295 HG22 THR 38 HG22 THR 38 -19.055 16.123 -20.358 296 HG23 THR 38 HG23 THR 38 -19.781 16.027 -18.753 297 H VAL 39 H VAL 39 -16.104 19.113 -18.299 298 HA VAL 39 HA VAL 39 -14.554 16.780 -17.753 299 HB VAL 39 HB VAL 39 -13.844 18.365 -19.462 300 HG11 VAL 39 HG11 VAL 39 -14.672 20.408 -18.366 301 HG12 VAL 39 HG12 VAL 39 -13.354 20.296 -17.198 302 HG13 VAL 39 HG13 VAL 39 -13.000 20.567 -18.905 303 HG21 VAL 39 HG21 VAL 39 -11.472 18.637 -18.739 304 HG22 VAL 39 HG22 VAL 39 -11.956 18.115 -17.126 305 HG23 VAL 39 HG23 VAL 39 -12.116 17.014 -18.495 306 H MET 40 H MET 40 -15.257 19.760 -16.019 307 HA MET 40 HA MET 40 -13.334 19.378 -13.961 308 HB2 MET 40 HB2 MET 40 -14.539 21.543 -14.625 309 HB3 MET 40 HB3 MET 40 -15.888 20.945 -13.670 310 HG2 MET 40 HG2 MET 40 -14.939 21.935 -11.930 311 HG3 MET 40 HG3 MET 40 -13.724 20.659 -11.985 312 HE1 MET 40 HE1 MET 40 -11.793 21.073 -11.558 313 HE2 MET 40 HE2 MET 40 -10.679 21.887 -12.657 314 HE3 MET 40 HE3 MET 40 -11.233 22.707 -11.197 315 H ARG 41 H ARG 41 -16.655 18.365 -14.425 316 HA ARG 41 HA ARG 41 -17.356 17.649 -11.841 317 HB2 ARG 41 HB2 ARG 41 -18.146 16.702 -14.555 318 HB3 ARG 41 HB3 ARG 41 -18.644 15.743 -13.168 319 HG2 ARG 41 HG2 ARG 41 -20.018 17.400 -12.343 320 HG3 ARG 41 HG3 ARG 41 -19.152 18.682 -13.192 321 HD2 ARG 41 HD2 ARG 41 -20.446 18.490 -15.001 322 HD3 ARG 41 HD3 ARG 41 -20.306 16.732 -15.008 323 HE ARG 41 HE ARG 41 -22.312 16.595 -13.901 324 HH11 ARG 41 HH11 ARG 41 -21.155 19.878 -13.809 325 HH12 ARG 41 HH12 ARG 41 -22.628 20.517 -13.161 326 HH21 ARG 41 HH21 ARG 41 -24.258 17.426 -13.048 327 HH22 ARG 41 HH22 ARG 41 -24.393 19.121 -12.728 328 H ALA 42 H ALA 42 -15.374 15.938 -14.187 329 HA ALA 42 HA ALA 42 -15.224 13.483 -12.776 330 HB1 ALA 42 HB1 ALA 42 -13.233 13.066 -14.231 331 HB2 ALA 42 HB2 ALA 42 -14.705 13.499 -15.103 332 HB3 ALA 42 HB3 ALA 42 -13.433 14.698 -14.870 333 H LEU 43 H LEU 43 -13.619 16.524 -12.429 334 HA LEU 43 HA LEU 43 -11.498 15.397 -10.780 335 HB2 LEU 43 HB2 LEU 43 -11.731 17.657 -12.418 336 HB3 LEU 43 HB3 LEU 43 -11.617 18.274 -10.771 337 HG LEU 43 HG LEU 43 -9.504 17.077 -10.467 338 HD11 LEU 43 HD11 LEU 43 -8.428 16.163 -12.580 339 HD12 LEU 43 HD12 LEU 43 -10.051 16.149 -13.271 340 HD13 LEU 43 HD13 LEU 43 -9.694 15.181 -11.840 341 HD21 LEU 43 HD21 LEU 43 -8.151 18.409 -12.053 342 HD22 LEU 43 HD22 LEU 43 -9.402 19.356 -11.245 343 HD23 LEU 43 HD23 LEU 43 -9.630 18.835 -12.915 344 H GLY 44 H GLY 44 -14.491 17.170 -10.478 345 HA2 GLY 44 HA2 GLY 44 -14.045 17.486 -7.589 346 HA3 GLY 44 HA3 GLY 44 -15.268 18.324 -8.531 347 H ALA 45 H ALA 45 -17.284 17.588 -8.405 348 HA ALA 45 HA ALA 45 -17.738 14.763 -7.768 349 HB1 ALA 45 HB1 ALA 45 -18.388 17.061 -6.062 350 HB2 ALA 45 HB2 ALA 45 -19.708 15.917 -6.303 351 HB3 ALA 45 HB3 ALA 45 -18.169 15.361 -5.647 352 H ASN 46 H ASN 46 -19.890 17.586 -7.930 353 HA ASN 46 HA ASN 46 -20.835 17.136 -10.538 354 HB2 ASN 46 HB2 ASN 46 -21.702 15.093 -9.108 355 HB3 ASN 46 HB3 ASN 46 -22.916 16.254 -8.581 356 HD21 ASN 46 HD21 ASN 46 -21.328 15.464 -11.658 357 HD22 ASN 46 HD22 ASN 46 -22.789 15.321 -12.567 358 HA PRO 47 HA PRO 47 -22.005 21.080 -8.332 359 HB2 PRO 47 HB2 PRO 47 -20.766 22.732 -10.095 360 HB3 PRO 47 HB3 PRO 47 -19.945 22.030 -8.695 361 HG2 PRO 47 HG2 PRO 47 -19.900 21.150 -11.557 362 HG3 PRO 47 HG3 PRO 47 -18.559 21.271 -10.402 363 HD2 PRO 47 HD2 PRO 47 -19.762 18.920 -10.996 364 HD3 PRO 47 HD3 PRO 47 -19.081 19.266 -9.393 365 H THR 48 H THR 48 -22.755 23.190 -9.723 366 HA THR 48 HA THR 48 -24.758 22.143 -11.608 367 HB THR 48 HB THR 48 -25.225 24.863 -10.668 368 HG1 THR 48 HG1 THR 48 -24.706 22.816 -8.821 369 HG21 THR 48 HG21 THR 48 -26.908 23.516 -11.806 370 HG22 THR 48 HG22 THR 48 -27.449 23.931 -10.180 371 HG23 THR 48 HG23 THR 48 -26.836 22.311 -10.520 372 H LYS 49 H LYS 49 -25.303 23.412 -13.465 373 HA LYS 49 HA LYS 49 -23.079 24.372 -14.887 374 HB2 LYS 49 HB2 LYS 49 -26.019 24.304 -15.335 375 HB3 LYS 49 HB3 LYS 49 -25.075 25.399 -16.335 376 HG2 LYS 49 HG2 LYS 49 -24.083 22.625 -16.090 377 HG3 LYS 49 HG3 LYS 49 -25.567 22.872 -17.014 378 HD2 LYS 49 HD2 LYS 49 -23.664 24.874 -17.746 379 HD3 LYS 49 HD3 LYS 49 -22.898 23.286 -17.847 380 HE2 LYS 49 HE2 LYS 49 -25.626 23.537 -18.970 381 HE3 LYS 49 HE3 LYS 49 -24.328 24.350 -19.844 382 HZ1 LYS 49 HZ1 LYS 49 -24.730 21.480 -19.365 383 HZ2 LYS 49 HZ2 LYS 49 -23.155 22.065 -19.563 384 HZ3 LYS 49 HZ3 LYS 49 -24.298 22.281 -20.791 385 H GLN 50 H GLN 50 -25.545 26.012 -12.999 386 HA GLN 50 HA GLN 50 -24.943 28.644 -13.837 387 HB2 GLN 50 HB2 GLN 50 -27.045 28.080 -12.719 388 HB3 GLN 50 HB3 GLN 50 -26.168 27.668 -11.251 389 HG2 GLN 50 HG2 GLN 50 -26.125 29.780 -10.582 390 HG3 GLN 50 HG3 GLN 50 -25.531 30.337 -12.144 391 HE21 GLN 50 HE21 GLN 50 -28.184 30.148 -10.043 392 HE22 GLN 50 HE22 GLN 50 -29.367 30.852 -11.086 393 H LYS 51 H LYS 51 -23.748 26.626 -11.197 394 HA LYS 51 HA LYS 51 -22.199 28.629 -9.933 395 HB2 LYS 51 HB2 LYS 51 -21.603 25.674 -9.895 396 HB3 LYS 51 HB3 LYS 51 -21.226 26.867 -8.659 397 HG2 LYS 51 HG2 LYS 51 -23.962 25.863 -9.417 398 HG3 LYS 51 HG3 LYS 51 -23.070 25.499 -7.938 399 HD2 LYS 51 HD2 LYS 51 -23.056 28.063 -7.596 400 HD3 LYS 51 HD3 LYS 51 -24.360 28.071 -8.786 401 HE2 LYS 51 HE2 LYS 51 -25.635 27.841 -6.929 402 HE3 LYS 51 HE3 LYS 51 -25.262 26.136 -7.176 403 HZ1 LYS 51 HZ1 LYS 51 -23.369 27.673 -5.582 404 HZ2 LYS 51 HZ2 LYS 51 -23.902 26.078 -5.392 405 HZ3 LYS 51 HZ3 LYS 51 -24.875 27.361 -4.874 406 H ILE 52 H ILE 52 -21.405 26.153 -12.344 407 HA ILE 52 HA ILE 52 -18.648 26.764 -12.502 408 HB ILE 52 HB ILE 52 -20.431 25.497 -14.587 409 HG12 ILE 52 HG12 ILE 52 -20.387 24.294 -12.426 410 HG13 ILE 52 HG13 ILE 52 -19.619 23.372 -13.713 411 HG21 ILE 52 HG21 ILE 52 -18.672 25.539 -15.937 412 HG22 ILE 52 HG22 ILE 52 -17.704 26.334 -14.697 413 HG23 ILE 52 HG23 ILE 52 -17.773 24.573 -14.767 414 HD11 ILE 52 HD11 ILE 52 -18.402 23.268 -11.579 415 HD12 ILE 52 HD12 ILE 52 -17.437 23.953 -12.887 416 HD13 ILE 52 HD13 ILE 52 -18.147 25.010 -11.666 417 H SER 53 H SER 53 -21.477 27.942 -14.247 418 HA SER 53 HA SER 53 -20.131 29.377 -16.251 419 HB2 SER 53 HB2 SER 53 -22.834 29.886 -14.986 420 HB3 SER 53 HB3 SER 53 -22.257 30.659 -16.462 421 HG SER 53 HG SER 53 -23.358 28.219 -16.133 422 H GLU 54 H GLU 54 -20.909 30.159 -12.930 423 HA GLU 54 HA GLU 54 -20.313 32.944 -13.135 424 HB2 GLU 54 HB2 GLU 54 -20.866 31.028 -10.923 425 HB3 GLU 54 HB3 GLU 54 -20.049 32.531 -10.517 426 HG2 GLU 54 HG2 GLU 54 -22.219 33.196 -12.191 427 HG3 GLU 54 HG3 GLU 54 -22.817 32.059 -10.982 428 H ILE 55 H ILE 55 -18.486 30.059 -12.325 429 HA ILE 55 HA ILE 55 -16.168 31.463 -11.404 430 HB ILE 55 HB ILE 55 -16.451 28.598 -12.322 431 HG12 ILE 55 HG12 ILE 55 -17.860 29.191 -10.374 432 HG13 ILE 55 HG13 ILE 55 -16.584 28.054 -9.952 433 HG21 ILE 55 HG21 ILE 55 -14.236 29.953 -10.788 434 HG22 ILE 55 HG22 ILE 55 -14.356 28.222 -11.095 435 HG23 ILE 55 HG23 ILE 55 -14.143 29.343 -12.440 436 HD11 ILE 55 HD11 ILE 55 -17.194 30.466 -8.702 437 HD12 ILE 55 HD12 ILE 55 -15.798 29.428 -8.411 438 HD13 ILE 55 HD13 ILE 55 -15.686 30.753 -9.571 439 H VAL 56 H VAL 56 -17.271 30.192 -14.479 440 HA VAL 56 HA VAL 56 -14.810 30.344 -15.861 441 HB VAL 56 HB VAL 56 -17.620 30.535 -16.956 442 HG11 VAL 56 HG11 VAL 56 -15.001 29.975 -18.345 443 HG12 VAL 56 HG12 VAL 56 -16.597 29.826 -19.084 444 HG13 VAL 56 HG13 VAL 56 -16.017 31.403 -18.549 445 HG21 VAL 56 HG21 VAL 56 -17.792 28.365 -16.517 446 HG22 VAL 56 HG22 VAL 56 -16.377 28.055 -17.523 447 HG23 VAL 56 HG23 VAL 56 -16.182 28.367 -15.798 448 H LYS 57 H LYS 57 -17.460 32.644 -15.425 449 HA LYS 57 HA LYS 57 -16.335 34.633 -17.140 450 HB2 LYS 57 HB2 LYS 57 -18.089 36.075 -16.330 451 HB3 LYS 57 HB3 LYS 57 -18.761 34.475 -16.616 452 HG2 LYS 57 HG2 LYS 57 -18.841 33.997 -14.297 453 HG3 LYS 57 HG3 LYS 57 -17.873 35.419 -13.903 454 HD2 LYS 57 HD2 LYS 57 -19.871 36.649 -15.149 455 HD3 LYS 57 HD3 LYS 57 -20.747 35.209 -14.625 456 HE2 LYS 57 HE2 LYS 57 -19.578 35.755 -12.327 457 HE3 LYS 57 HE3 LYS 57 -19.503 37.378 -13.008 458 HZ1 LYS 57 HZ1 LYS 57 -22.076 36.122 -13.296 459 HZ2 LYS 57 HZ2 LYS 57 -21.684 37.668 -12.727 460 HZ3 LYS 57 HZ3 LYS 57 -21.616 36.339 -11.682 461 H ASP 58 H ASP 58 -16.001 33.795 -13.786 462 HA ASP 58 HA ASP 58 -14.736 36.301 -13.073 463 HB2 ASP 58 HB2 ASP 58 -16.038 34.293 -11.647 464 HB3 ASP 58 HB3 ASP 58 -14.348 34.128 -11.181 465 H TYR 59 H TYR 59 -13.800 33.165 -14.187 466 HA TYR 59 HA TYR 59 -11.014 33.553 -13.432 467 HB2 TYR 59 HB2 TYR 59 -12.618 31.283 -14.523 468 HB3 TYR 59 HB3 TYR 59 -10.881 31.292 -14.804 469 HD1 TYR 59 HD1 TYR 59 -12.806 32.409 -11.814 470 HD2 TYR 59 HD2 TYR 59 -10.035 29.613 -13.431 471 HE1 TYR 59 HE1 TYR 59 -12.444 31.478 -9.567 472 HE2 TYR 59 HE2 TYR 59 -9.667 28.673 -11.188 473 HH TYR 59 HH TYR 59 -11.355 28.699 -8.881 474 H ASP 60 H ASP 60 -13.069 33.583 -16.273 475 HA ASP 60 HA ASP 60 -10.792 34.615 -17.828 476 HB2 ASP 60 HB2 ASP 60 -12.951 32.721 -18.778 477 HB3 ASP 60 HB3 ASP 60 -11.786 33.513 -19.836 478 H LYS 61 H LYS 61 -11.504 36.734 -17.328 479 HA LYS 61 HA LYS 61 -14.035 37.518 -18.612 480 HB2 LYS 61 HB2 LYS 61 -14.188 39.347 -17.109 481 HB3 LYS 61 HB3 LYS 61 -13.758 37.947 -16.133 482 HG2 LYS 61 HG2 LYS 61 -11.306 38.933 -16.736 483 HG3 LYS 61 HG3 LYS 61 -12.266 40.413 -16.660 484 HD2 LYS 61 HD2 LYS 61 -11.549 40.140 -14.465 485 HD3 LYS 61 HD3 LYS 61 -13.168 39.437 -14.443 486 HE2 LYS 61 HE2 LYS 61 -12.353 37.258 -14.369 487 HE3 LYS 61 HE3 LYS 61 -10.766 37.730 -14.978 488 HZ1 LYS 61 HZ1 LYS 61 -11.827 37.850 -12.262 489 HZ2 LYS 61 HZ2 LYS 61 -10.790 39.101 -12.733 490 HZ3 LYS 61 HZ3 LYS 61 -10.262 37.495 -12.798 491 H ASP 62 H ASP 62 -10.625 37.844 -18.681 492 HA ASP 62 HA ASP 62 -10.671 40.273 -20.278 493 HB2 ASP 62 HB2 ASP 62 -8.347 40.338 -20.043 494 HB3 ASP 62 HB3 ASP 62 -8.881 39.627 -18.521 495 H ASN 63 H ASN 63 -11.549 37.312 -20.994 496 HA ASN 63 HA ASN 63 -10.604 37.520 -23.753 497 HB2 ASN 63 HB2 ASN 63 -9.053 35.949 -22.744 498 HB3 ASN 63 HB3 ASN 63 -10.386 35.016 -22.067 499 HD21 ASN 63 HD21 ASN 63 -8.839 36.015 -25.057 500 HD22 ASN 63 HD22 ASN 63 -9.390 34.679 -26.005 501 H SER 64 H SER 64 -12.351 34.999 -21.955 502 HA SER 64 HA SER 64 -14.941 35.727 -22.705 503 HB2 SER 64 HB2 SER 64 -13.523 34.790 -24.907 504 HB3 SER 64 HB3 SER 64 -14.463 33.394 -24.383 505 HG SER 64 HG SER 64 -15.352 35.914 -25.258 506 H GLY 65 H GLY 65 -16.227 33.341 -23.005 507 HA2 GLY 65 HA2 GLY 65 -15.655 32.072 -20.425 508 HA3 GLY 65 HA3 GLY 65 -17.165 31.964 -21.316 509 H LYS 66 H LYS 66 -13.963 31.437 -22.675 510 HA LYS 66 HA LYS 66 -14.660 28.594 -23.024 511 HB2 LYS 66 HB2 LYS 66 -13.324 30.520 -24.914 512 HB3 LYS 66 HB3 LYS 66 -13.157 28.780 -25.101 513 HG2 LYS 66 HG2 LYS 66 -15.214 28.552 -25.944 514 HG3 LYS 66 HG3 LYS 66 -15.921 29.687 -24.791 515 HD2 LYS 66 HD2 LYS 66 -14.154 30.838 -26.864 516 HD3 LYS 66 HD3 LYS 66 -15.703 30.196 -27.418 517 HE2 LYS 66 HE2 LYS 66 -15.743 31.911 -25.005 518 HE3 LYS 66 HE3 LYS 66 -15.389 32.704 -26.538 519 HZ1 LYS 66 HZ1 LYS 66 -17.681 30.878 -26.384 520 HZ2 LYS 66 HZ2 LYS 66 -17.454 32.238 -27.365 521 HZ3 LYS 66 HZ3 LYS 66 -17.832 32.429 -25.727 522 H PHE 67 H PHE 67 -12.891 27.095 -23.072 523 HA PHE 67 HA PHE 67 -10.549 28.064 -21.571 524 HB2 PHE 67 HB2 PHE 67 -12.072 25.480 -21.471 525 HB3 PHE 67 HB3 PHE 67 -10.388 25.534 -20.962 526 HD1 PHE 67 HD1 PHE 67 -13.645 27.242 -20.385 527 HD2 PHE 67 HD2 PHE 67 -9.881 26.075 -18.779 528 HE1 PHE 67 HE1 PHE 67 -14.347 28.044 -18.167 529 HE2 PHE 67 HE2 PHE 67 -10.576 26.874 -16.558 530 HZ PHE 67 HZ PHE 67 -12.812 27.861 -16.250 531 H ASP 68 H ASP 68 -8.539 27.664 -22.326 532 HA ASP 68 HA ASP 68 -8.347 26.239 -24.896 533 HB2 ASP 68 HB2 ASP 68 -7.700 28.472 -25.280 534 HB3 ASP 68 HB3 ASP 68 -6.808 28.566 -23.764 535 H GLN 69 H GLN 69 -6.890 24.617 -25.159 536 HA GLN 69 HA GLN 69 -6.089 23.048 -23.066 537 HB2 GLN 69 HB2 GLN 69 -4.882 23.371 -25.809 538 HB3 GLN 69 HB3 GLN 69 -4.333 22.143 -24.676 539 HG2 GLN 69 HG2 GLN 69 -6.456 21.071 -24.686 540 HG3 GLN 69 HG3 GLN 69 -7.186 22.399 -25.587 541 HE21 GLN 69 HE21 GLN 69 -7.847 20.566 -26.967 542 HE22 GLN 69 HE22 GLN 69 -6.768 20.062 -28.219 543 H GLU 70 H GLU 70 -4.216 25.604 -24.655 544 HA GLU 70 HA GLU 70 -1.839 25.238 -23.192 545 HB2 GLU 70 HB2 GLU 70 -2.776 26.987 -25.199 546 HB3 GLU 70 HB3 GLU 70 -2.224 28.004 -23.876 547 HG2 GLU 70 HG2 GLU 70 -0.397 25.822 -24.540 548 HG3 GLU 70 HG3 GLU 70 -0.648 26.980 -25.845 549 H THR 71 H THR 71 -4.664 27.294 -22.630 550 HA THR 71 HA THR 71 -3.681 28.682 -20.398 551 HB THR 71 HB THR 71 -6.541 27.966 -21.073 552 HG1 THR 71 HG1 THR 71 -5.002 30.315 -21.576 553 HG21 THR 71 HG21 THR 71 -5.358 29.376 -18.812 554 HG22 THR 71 HG22 THR 71 -6.997 28.763 -19.028 555 HG23 THR 71 HG23 THR 71 -6.554 30.342 -19.677 556 H PHE 72 H PHE 72 -5.506 25.652 -20.643 557 HA PHE 72 HA PHE 72 -5.806 25.239 -17.866 558 HB2 PHE 72 HB2 PHE 72 -7.208 24.045 -19.434 559 HB3 PHE 72 HB3 PHE 72 -5.802 23.278 -20.168 560 HD1 PHE 72 HD1 PHE 72 -4.587 21.516 -18.978 561 HD2 PHE 72 HD2 PHE 72 -8.145 23.234 -17.396 562 HE1 PHE 72 HE1 PHE 72 -4.802 19.626 -17.417 563 HE2 PHE 72 HE2 PHE 72 -8.365 21.347 -15.833 564 HZ PHE 72 HZ PHE 72 -6.692 19.541 -15.840 565 H LEU 73 H LEU 73 -3.361 24.158 -20.187 566 HA LEU 73 HA LEU 73 -1.905 22.537 -18.392 567 HB2 LEU 73 HB2 LEU 73 -1.820 22.916 -21.039 568 HB3 LEU 73 HB3 LEU 73 -0.458 23.928 -20.568 569 HG LEU 73 HG LEU 73 -0.571 21.135 -19.538 570 HD11 LEU 73 HD11 LEU 73 -0.185 20.107 -21.487 571 HD12 LEU 73 HD12 LEU 73 0.815 21.424 -22.097 572 HD13 LEU 73 HD13 LEU 73 -0.942 21.525 -22.211 573 HD21 LEU 73 HD21 LEU 73 1.167 22.963 -18.998 574 HD22 LEU 73 HD22 LEU 73 1.791 22.628 -20.614 575 HD23 LEU 73 HD23 LEU 73 1.739 21.344 -19.406 576 H THR 74 H THR 74 -1.804 25.962 -19.140 577 HA THR 74 HA THR 74 0.637 26.505 -17.774 578 HB THR 74 HB THR 74 -1.610 28.430 -18.405 579 HG1 THR 74 HG1 THR 74 -0.243 28.869 -20.271 580 HG21 THR 74 HG21 THR 74 0.216 30.111 -18.372 581 HG22 THR 74 HG22 THR 74 1.319 28.860 -17.800 582 HG23 THR 74 HG23 THR 74 -0.051 29.352 -16.802 583 H ILE 75 H ILE 75 -2.764 26.534 -16.859 584 HA ILE 75 HA ILE 75 -2.391 27.756 -14.321 585 HB ILE 75 HB ILE 75 -4.634 25.979 -15.289 586 HG12 ILE 75 HG12 ILE 75 -4.886 28.931 -14.950 587 HG13 ILE 75 HG13 ILE 75 -4.008 28.337 -16.355 588 HG21 ILE 75 HG21 ILE 75 -4.072 27.184 -12.703 589 HG22 ILE 75 HG22 ILE 75 -5.642 27.656 -13.350 590 HG23 ILE 75 HG23 ILE 75 -5.250 25.948 -13.144 591 HD11 ILE 75 HD11 ILE 75 -6.835 27.617 -15.615 592 HD12 ILE 75 HD12 ILE 75 -6.349 28.763 -16.864 593 HD13 ILE 75 HD13 ILE 75 -5.957 27.052 -17.037 594 H MET 76 H MET 76 -2.794 24.368 -15.329 595 HA MET 76 HA MET 76 -2.518 23.293 -12.721 596 HB2 MET 76 HB2 MET 76 -2.161 21.131 -13.914 597 HB3 MET 76 HB3 MET 76 -3.610 21.990 -14.419 598 HG2 MET 76 HG2 MET 76 -2.895 21.616 -16.490 599 HG3 MET 76 HG3 MET 76 -1.753 22.923 -16.185 600 HE1 MET 76 HE1 MET 76 -2.169 20.278 -17.910 601 HE2 MET 76 HE2 MET 76 -0.549 19.636 -18.188 602 HE3 MET 76 HE3 MET 76 -1.639 18.823 -17.063 603 H LEU 77 H LEU 77 -0.255 24.308 -15.140 604 HA LEU 77 HA LEU 77 1.983 22.875 -14.038 605 HB2 LEU 77 HB2 LEU 77 1.942 23.394 -16.396 606 HB3 LEU 77 HB3 LEU 77 1.819 25.117 -16.045 607 HG LEU 77 HG LEU 77 4.194 23.830 -14.909 608 HD11 LEU 77 HD11 LEU 77 4.299 24.253 -17.853 609 HD12 LEU 77 HD12 LEU 77 3.679 22.725 -17.231 610 HD13 LEU 77 HD13 LEU 77 5.311 23.245 -16.819 611 HD21 LEU 77 HD21 LEU 77 5.161 25.856 -15.344 612 HD22 LEU 77 HD22 LEU 77 3.470 26.343 -15.231 613 HD23 LEU 77 HD23 LEU 77 4.218 26.118 -16.812 614 H GLU 78 H GLU 78 0.694 26.152 -13.861 615 HA GLU 78 HA GLU 78 2.888 27.201 -12.360 616 HB2 GLU 78 HB2 GLU 78 1.408 28.617 -13.748 617 HB3 GLU 78 HB3 GLU 78 0.079 28.276 -12.649 618 HG2 GLU 78 HG2 GLU 78 0.846 30.370 -11.994 619 HG3 GLU 78 HG3 GLU 78 1.559 29.261 -10.824 620 H TYR 79 H TYR 79 -0.033 25.510 -11.591 621 HA TYR 79 HA TYR 79 -0.099 26.277 -8.824 622 HB2 TYR 79 HB2 TYR 79 -2.025 25.386 -10.380 623 HB3 TYR 79 HB3 TYR 79 -1.450 23.809 -9.850 624 HD1 TYR 79 HD1 TYR 79 -1.271 23.444 -7.292 625 HD2 TYR 79 HD2 TYR 79 -3.545 26.566 -9.073 626 HE1 TYR 79 HE1 TYR 79 -2.588 23.654 -5.226 627 HE2 TYR 79 HE2 TYR 79 -4.869 26.787 -7.012 628 HH TYR 79 HH TYR 79 -5.473 25.479 -5.065 629 H GLY 80 H GLY 80 1.444 23.806 -10.704 630 HA2 GLY 80 HA2 GLY 80 2.914 22.137 -10.141 631 HA3 GLY 80 HA3 GLY 80 3.224 23.064 -8.681 632 H GLN 81 H GLN 81 1.488 20.406 -10.081 633 HA GLN 81 HA GLN 81 -0.083 19.810 -7.767 634 HB2 GLN 81 HB2 GLN 81 0.435 18.556 -10.397 635 HB3 GLN 81 HB3 GLN 81 -0.041 17.466 -9.103 636 HG2 GLN 81 HG2 GLN 81 -2.113 17.966 -9.784 637 HG3 GLN 81 HG3 GLN 81 -1.882 19.408 -8.795 638 HE21 GLN 81 HE21 GLN 81 -3.045 20.863 -9.903 639 HE22 GLN 81 HE22 GLN 81 -2.744 21.322 -11.541 640 H GLU 82 H GLU 82 2.339 17.692 -9.280 641 HA GLU 82 HA GLU 82 3.955 16.352 -8.402 642 HB2 GLU 82 HB2 GLU 82 4.019 18.743 -6.813 643 HB3 GLU 82 HB3 GLU 82 4.351 17.354 -5.789 644 HG2 GLU 82 HG2 GLU 82 6.413 18.245 -6.628 645 HG3 GLU 82 HG3 GLU 82 6.126 16.660 -7.344 646 H VAL 83 H VAL 83 0.950 16.213 -7.632 647 HA VAL 83 HA VAL 83 1.199 14.467 -5.284 648 HB VAL 83 HB VAL 83 -1.313 14.553 -5.263 649 HG11 VAL 83 HG11 VAL 83 -0.071 17.288 -5.098 650 HG12 VAL 83 HG12 VAL 83 -1.409 16.638 -4.149 651 HG13 VAL 83 HG13 VAL 83 0.227 16.026 -3.905 652 HG21 VAL 83 HG21 VAL 83 -1.543 15.176 -7.664 653 HG22 VAL 83 HG22 VAL 83 -2.462 16.208 -6.568 654 HG23 VAL 83 HG23 VAL 83 -0.945 16.786 -7.258 655 H ASP 84 H ASP 84 -0.276 12.520 -5.306 656 HA ASP 84 HA ASP 84 -0.292 11.278 -7.979 657 HB2 ASP 84 HB2 ASP 84 0.145 9.740 -5.424 658 HB3 ASP 84 HB3 ASP 84 0.442 9.216 -7.080 659 H SER 85 H SER 85 -2.076 10.128 -8.561 660 HA SER 85 HA SER 85 -4.290 9.588 -8.604 661 HB2 SER 85 HB2 SER 85 -4.044 8.899 -5.683 662 HB3 SER 85 HB3 SER 85 -5.016 8.107 -6.922 663 HG SER 85 HG SER 85 -2.223 7.988 -6.521 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -14.585 3.695 -13.236 2 HA MET 1 HA MET 1 -12.108 3.938 -14.162 3 HB2 MET 1 HB2 MET 1 -13.944 3.540 -16.462 4 HB3 MET 1 HB3 MET 1 -12.700 4.769 -16.642 5 HG2 MET 1 HG2 MET 1 -11.035 3.263 -16.758 6 HG3 MET 1 HG3 MET 1 -11.787 2.181 -15.588 7 HE1 MET 1 HE1 MET 1 -11.138 1.024 -19.623 8 HE2 MET 1 HE2 MET 1 -10.337 2.238 -18.625 9 HE3 MET 1 HE3 MET 1 -10.444 0.570 -18.066 10 H SER 2 H SER 2 -11.503 5.962 -13.732 11 HA SER 2 HA SER 2 -13.234 8.202 -14.388 12 HB2 SER 2 HB2 SER 2 -13.123 7.102 -11.739 13 HB3 SER 2 HB3 SER 2 -12.407 8.714 -11.727 14 HG SER 2 HG SER 2 -15.023 7.931 -12.186 15 H GLU 3 H GLU 3 -12.077 10.295 -13.412 16 HA GLU 3 HA GLU 3 -9.245 10.060 -14.185 17 HB2 GLU 3 HB2 GLU 3 -11.329 11.845 -15.027 18 HB3 GLU 3 HB3 GLU 3 -10.049 12.771 -14.255 19 HG2 GLU 3 HG2 GLU 3 -9.788 12.535 -16.705 20 HG3 GLU 3 HG3 GLU 3 -8.419 11.925 -15.778 21 H GLN 4 H GLN 4 -7.681 10.792 -12.847 22 HA GLN 4 HA GLN 4 -8.365 12.454 -10.562 23 HB2 GLN 4 HB2 GLN 4 -7.105 9.724 -10.242 24 HB3 GLN 4 HB3 GLN 4 -7.288 10.913 -8.959 25 HG2 GLN 4 HG2 GLN 4 -9.760 10.804 -9.337 26 HG3 GLN 4 HG3 GLN 4 -9.465 9.448 -10.423 27 HE21 GLN 4 HE21 GLN 4 -8.523 7.532 -9.545 28 HE22 GLN 4 HE22 GLN 4 -8.735 7.143 -7.876 29 H LYS 5 H LYS 5 -6.650 13.630 -9.758 30 HA LYS 5 HA LYS 5 -4.148 13.409 -11.297 31 HB2 LYS 5 HB2 LYS 5 -5.223 15.511 -11.729 32 HB3 LYS 5 HB3 LYS 5 -5.476 15.798 -10.012 33 HG2 LYS 5 HG2 LYS 5 -2.685 15.410 -10.523 34 HG3 LYS 5 HG3 LYS 5 -3.331 16.646 -11.606 35 HD2 LYS 5 HD2 LYS 5 -3.988 16.698 -8.685 36 HD3 LYS 5 HD3 LYS 5 -2.448 17.337 -9.265 37 HE2 LYS 5 HE2 LYS 5 -5.052 18.185 -10.490 38 HE3 LYS 5 HE3 LYS 5 -4.436 18.953 -9.027 39 HZ1 LYS 5 HZ1 LYS 5 -2.674 18.705 -11.363 40 HZ2 LYS 5 HZ2 LYS 5 -2.677 19.874 -10.140 41 HZ3 LYS 5 HZ3 LYS 5 -3.856 19.915 -11.353 42 H LYS 6 H LYS 6 -2.617 12.423 -10.160 43 HA LYS 6 HA LYS 6 -2.393 13.036 -7.285 44 HB2 LYS 6 HB2 LYS 6 -1.282 10.825 -7.059 45 HB3 LYS 6 HB3 LYS 6 -2.953 10.709 -7.595 46 HG2 LYS 6 HG2 LYS 6 -1.140 10.863 -9.837 47 HG3 LYS 6 HG3 LYS 6 -0.735 9.522 -8.763 48 HD2 LYS 6 HD2 LYS 6 -3.534 10.034 -9.745 49 HD3 LYS 6 HD3 LYS 6 -2.385 9.022 -10.624 50 HE2 LYS 6 HE2 LYS 6 -2.176 7.979 -8.137 51 HE3 LYS 6 HE3 LYS 6 -3.861 8.497 -8.130 52 HZ1 LYS 6 HZ1 LYS 6 -4.416 6.813 -9.441 53 HZ2 LYS 6 HZ2 LYS 6 -2.860 6.186 -9.220 54 HZ3 LYS 6 HZ3 LYS 6 -3.194 7.169 -10.556 55 H VAL 7 H VAL 7 -0.766 12.830 -10.349 56 HA VAL 7 HA VAL 7 1.500 14.275 -9.232 57 HB VAL 7 HB VAL 7 3.172 12.814 -10.238 58 HG11 VAL 7 HG11 VAL 7 3.071 11.007 -8.663 59 HG12 VAL 7 HG12 VAL 7 2.422 12.456 -7.893 60 HG13 VAL 7 HG13 VAL 7 1.329 11.202 -8.481 61 HG21 VAL 7 HG21 VAL 7 1.939 10.411 -10.740 62 HG22 VAL 7 HG22 VAL 7 0.813 11.582 -11.426 63 HG23 VAL 7 HG23 VAL 7 2.493 11.558 -11.960 64 H LEU 8 H LEU 8 2.924 15.153 -10.924 65 HA LEU 8 HA LEU 8 1.373 15.771 -13.340 66 HB2 LEU 8 HB2 LEU 8 2.163 17.602 -11.786 67 HB3 LEU 8 HB3 LEU 8 3.801 17.222 -12.314 68 HG LEU 8 HG LEU 8 1.809 17.835 -14.424 69 HD11 LEU 8 HD11 LEU 8 2.496 20.310 -14.027 70 HD12 LEU 8 HD12 LEU 8 2.736 19.785 -12.361 71 HD13 LEU 8 HD13 LEU 8 1.153 19.617 -13.118 72 HD21 LEU 8 HD21 LEU 8 4.019 17.312 -15.121 73 HD22 LEU 8 HD22 LEU 8 4.723 18.415 -13.938 74 HD23 LEU 8 HD23 LEU 8 3.819 19.055 -15.311 75 H THR 9 H THR 9 1.875 14.201 -14.786 76 HA THR 9 HA THR 9 4.690 14.049 -15.621 77 HB THR 9 HB THR 9 3.799 11.538 -16.229 78 HG1 THR 9 HG1 THR 9 2.672 10.761 -14.463 79 HG21 THR 9 HG21 THR 9 5.944 12.334 -15.119 80 HG22 THR 9 HG22 THR 9 5.326 10.768 -14.595 81 HG23 THR 9 HG23 THR 9 5.084 12.195 -13.587 82 H ALA 10 H ALA 10 4.847 12.918 -17.824 83 HA ALA 10 HA ALA 10 3.549 14.402 -19.752 84 HB1 ALA 10 HB1 ALA 10 5.594 12.739 -19.860 85 HB2 ALA 10 HB2 ALA 10 4.358 11.627 -20.450 86 HB3 ALA 10 HB3 ALA 10 4.659 13.142 -21.301 87 H GLU 11 H GLU 11 2.588 11.344 -18.299 88 HA GLU 11 HA GLU 11 0.525 10.674 -20.078 89 HB2 GLU 11 HB2 GLU 11 1.009 10.026 -17.178 90 HB3 GLU 11 HB3 GLU 11 -0.405 9.427 -18.034 91 HG2 GLU 11 HG2 GLU 11 0.758 7.808 -18.998 92 HG3 GLU 11 HG3 GLU 11 2.006 8.931 -19.535 93 H GLU 12 H GLU 12 0.568 12.720 -17.205 94 HA GLU 12 HA GLU 12 -2.233 13.135 -17.070 95 HB2 GLU 12 HB2 GLU 12 -0.922 13.576 -15.120 96 HB3 GLU 12 HB3 GLU 12 0.106 14.706 -15.991 97 HG2 GLU 12 HG2 GLU 12 -1.367 16.405 -15.812 98 HG3 GLU 12 HG3 GLU 12 -2.773 15.345 -15.922 99 H GLN 13 H GLN 13 0.409 14.968 -18.558 100 HA GLN 13 HA GLN 13 -1.101 17.166 -19.417 101 HB2 GLN 13 HB2 GLN 13 1.302 17.275 -19.421 102 HB3 GLN 13 HB3 GLN 13 1.411 15.932 -20.551 103 HG2 GLN 13 HG2 GLN 13 0.371 17.294 -22.283 104 HG3 GLN 13 HG3 GLN 13 0.238 18.639 -21.151 105 HE21 GLN 13 HE21 GLN 13 1.639 18.490 -23.696 106 HE22 GLN 13 HE22 GLN 13 3.292 18.861 -23.360 107 H GLN 14 H GLN 14 -0.155 14.229 -21.197 108 HA GLN 14 HA GLN 14 -1.581 14.858 -23.546 109 HB2 GLN 14 HB2 GLN 14 -1.231 12.537 -24.176 110 HB3 GLN 14 HB3 GLN 14 0.235 13.193 -23.460 111 HG2 GLN 14 HG2 GLN 14 -0.428 12.122 -21.308 112 HG3 GLN 14 HG3 GLN 14 -1.753 11.342 -22.172 113 HE21 GLN 14 HE21 GLN 14 -1.301 9.726 -23.664 114 HE22 GLN 14 HE22 GLN 14 0.232 8.930 -23.722 115 H GLU 15 H GLU 15 -2.468 13.129 -20.613 116 HA GLU 15 HA GLU 15 -4.918 12.078 -21.529 117 HB2 GLU 15 HB2 GLU 15 -3.708 12.600 -18.851 118 HB3 GLU 15 HB3 GLU 15 -5.427 12.246 -18.936 119 HG2 GLU 15 HG2 GLU 15 -4.990 10.129 -19.991 120 HG3 GLU 15 HG3 GLU 15 -3.267 10.490 -20.077 121 H TYR 16 H TYR 16 -4.056 15.153 -20.040 122 HA TYR 16 HA TYR 16 -6.753 16.059 -19.763 123 HB2 TYR 16 HB2 TYR 16 -4.045 17.246 -19.403 124 HB3 TYR 16 HB3 TYR 16 -5.398 18.351 -19.625 125 HD1 TYR 16 HD1 TYR 16 -7.574 17.370 -18.160 126 HD2 TYR 16 HD2 TYR 16 -3.444 17.036 -17.194 127 HE1 TYR 16 HE1 TYR 16 -8.156 17.142 -15.781 128 HE2 TYR 16 HE2 TYR 16 -4.014 16.807 -14.812 129 HH TYR 16 HH TYR 16 -7.318 17.192 -13.667 130 H LYS 17 H LYS 17 -4.190 16.511 -22.145 131 HA LYS 17 HA LYS 17 -5.492 18.469 -23.703 132 HB2 LYS 17 HB2 LYS 17 -3.416 16.414 -24.484 133 HB3 LYS 17 HB3 LYS 17 -3.911 17.765 -25.496 134 HG2 LYS 17 HG2 LYS 17 -3.215 18.832 -22.980 135 HG3 LYS 17 HG3 LYS 17 -1.948 17.691 -23.436 136 HD2 LYS 17 HD2 LYS 17 -2.869 19.466 -25.593 137 HD3 LYS 17 HD3 LYS 17 -2.053 20.275 -24.254 138 HE2 LYS 17 HE2 LYS 17 -0.369 18.227 -24.612 139 HE3 LYS 17 HE3 LYS 17 -1.001 18.361 -26.253 140 HZ1 LYS 17 HZ1 LYS 17 -0.487 20.908 -25.737 141 HZ2 LYS 17 HZ2 LYS 17 0.652 19.862 -26.421 142 HZ3 LYS 17 HZ3 LYS 17 0.697 20.193 -24.763 143 H GLU 18 H GLU 18 -5.479 14.935 -23.849 144 HA GLU 18 HA GLU 18 -7.076 14.799 -26.216 145 HB2 GLU 18 HB2 GLU 18 -7.132 12.431 -25.849 146 HB3 GLU 18 HB3 GLU 18 -5.515 12.998 -25.455 147 HG2 GLU 18 HG2 GLU 18 -6.012 12.902 -23.096 148 HG3 GLU 18 HG3 GLU 18 -7.680 12.448 -23.440 149 H ALA 19 H ALA 19 -7.712 14.838 -22.775 150 HA ALA 19 HA ALA 19 -10.380 13.947 -22.825 151 HB1 ALA 19 HB1 ALA 19 -9.166 15.889 -20.866 152 HB2 ALA 19 HB2 ALA 19 -10.572 14.854 -20.613 153 HB3 ALA 19 HB3 ALA 19 -8.969 14.138 -20.788 154 H PHE 20 H PHE 20 -8.998 17.215 -22.985 155 HA PHE 20 HA PHE 20 -11.514 18.533 -23.139 156 HB2 PHE 20 HB2 PHE 20 -8.661 19.317 -23.491 157 HB3 PHE 20 HB3 PHE 20 -9.890 20.380 -24.170 158 HD1 PHE 20 HD1 PHE 20 -9.054 18.601 -21.004 159 HD2 PHE 20 HD2 PHE 20 -10.803 22.020 -22.840 160 HE1 PHE 20 HE1 PHE 20 -9.398 19.612 -18.788 161 HE2 PHE 20 HE2 PHE 20 -11.149 23.036 -20.626 162 HZ PHE 20 HZ PHE 20 -10.449 21.832 -18.597 163 H GLN 21 H GLN 21 -9.131 17.511 -25.549 164 HA GLN 21 HA GLN 21 -10.407 18.639 -27.792 165 HB2 GLN 21 HB2 GLN 21 -8.129 17.966 -27.997 166 HB3 GLN 21 HB3 GLN 21 -8.502 16.318 -27.507 167 HG2 GLN 21 HG2 GLN 21 -9.794 16.015 -29.573 168 HG3 GLN 21 HG3 GLN 21 -9.353 17.649 -30.069 169 HE21 GLN 21 HE21 GLN 21 -7.116 18.101 -30.457 170 HE22 GLN 21 HE22 GLN 21 -6.050 16.837 -30.956 171 H LEU 22 H LEU 22 -10.661 15.445 -26.287 172 HA LEU 22 HA LEU 22 -12.355 14.285 -28.210 173 HB2 LEU 22 HB2 LEU 22 -11.235 12.871 -26.671 174 HB3 LEU 22 HB3 LEU 22 -11.919 13.724 -25.288 175 HG LEU 22 HG LEU 22 -14.080 12.685 -26.797 176 HD11 LEU 22 HD11 LEU 22 -12.700 11.093 -27.867 177 HD12 LEU 22 HD12 LEU 22 -13.507 10.241 -26.551 178 HD13 LEU 22 HD13 LEU 22 -11.825 10.740 -26.376 179 HD21 LEU 22 HD21 LEU 22 -14.293 11.259 -24.694 180 HD22 LEU 22 HD22 LEU 22 -14.306 13.010 -24.485 181 HD23 LEU 22 HD23 LEU 22 -12.845 12.091 -24.125 182 H PHE 23 H PHE 23 -12.981 16.354 -25.460 183 HA PHE 23 HA PHE 23 -15.845 15.974 -25.595 184 HB2 PHE 23 HB2 PHE 23 -14.186 16.693 -23.569 185 HB3 PHE 23 HB3 PHE 23 -14.777 18.272 -24.077 186 HD1 PHE 23 HD1 PHE 23 -15.777 14.969 -22.792 187 HD2 PHE 23 HD2 PHE 23 -16.998 18.960 -23.624 188 HE1 PHE 23 HE1 PHE 23 -17.845 14.599 -21.511 189 HE2 PHE 23 HE2 PHE 23 -19.068 18.597 -22.344 190 HZ PHE 23 HZ PHE 23 -19.494 16.415 -21.288 191 H ASP 24 H ASP 24 -13.678 17.635 -27.430 192 HA ASP 24 HA ASP 24 -15.642 19.730 -28.098 193 HB2 ASP 24 HB2 ASP 24 -13.314 20.395 -27.167 194 HB3 ASP 24 HB3 ASP 24 -12.717 19.935 -28.758 195 H LYS 25 H LYS 25 -16.621 18.045 -29.459 196 HA LYS 25 HA LYS 25 -15.306 16.837 -31.619 197 HB2 LYS 25 HB2 LYS 25 -18.180 17.472 -31.035 198 HB3 LYS 25 HB3 LYS 25 -17.720 16.794 -32.591 199 HG2 LYS 25 HG2 LYS 25 -16.581 15.348 -30.335 200 HG3 LYS 25 HG3 LYS 25 -18.346 15.372 -30.332 201 HD2 LYS 25 HD2 LYS 25 -17.573 13.437 -31.552 202 HD3 LYS 25 HD3 LYS 25 -18.318 14.575 -32.677 203 HE2 LYS 25 HE2 LYS 25 -16.132 15.370 -33.362 204 HE3 LYS 25 HE3 LYS 25 -15.355 14.320 -32.178 205 HZ1 LYS 25 HZ1 LYS 25 -15.183 13.025 -34.019 206 HZ2 LYS 25 HZ2 LYS 25 -16.584 13.640 -34.742 207 HZ3 LYS 25 HZ3 LYS 25 -16.705 12.505 -33.494 208 H ASP 26 H ASP 26 -16.510 20.047 -31.176 209 HA ASP 26 HA ASP 26 -16.727 20.758 -33.923 210 HB2 ASP 26 HB2 ASP 26 -16.218 22.630 -31.606 211 HB3 ASP 26 HB3 ASP 26 -16.965 23.017 -33.154 212 H ASN 27 H ASN 27 -15.308 23.053 -34.262 213 HA ASN 27 HA ASN 27 -12.524 22.093 -34.238 214 HB2 ASN 27 HB2 ASN 27 -13.889 22.522 -36.459 215 HB3 ASN 27 HB3 ASN 27 -13.448 24.199 -36.147 216 HD21 ASN 27 HD21 ASN 27 -12.537 21.430 -37.668 217 HD22 ASN 27 HD22 ASN 27 -10.851 21.752 -37.864 218 H ASP 28 H ASP 28 -14.051 23.730 -32.225 219 HA ASP 28 HA ASP 28 -12.888 26.362 -32.364 220 HB2 ASP 28 HB2 ASP 28 -14.135 25.162 -29.903 221 HB3 ASP 28 HB3 ASP 28 -14.094 26.849 -30.406 222 H ASN 29 H ASN 29 -12.028 23.294 -31.034 223 HA ASN 29 HA ASN 29 -10.179 22.553 -29.936 224 HB2 ASN 29 HB2 ASN 29 -8.890 25.236 -30.393 225 HB3 ASN 29 HB3 ASN 29 -8.125 23.652 -30.297 226 HD21 ASN 29 HD21 ASN 29 -8.447 22.177 -32.050 227 HD22 ASN 29 HD22 ASN 29 -8.761 22.779 -33.639 228 H LYS 30 H LYS 30 -12.309 24.140 -28.583 229 HA LYS 30 HA LYS 30 -10.896 24.492 -26.062 230 HB2 LYS 30 HB2 LYS 30 -12.543 26.669 -27.355 231 HB3 LYS 30 HB3 LYS 30 -12.087 26.671 -25.656 232 HG2 LYS 30 HG2 LYS 30 -9.784 26.870 -26.185 233 HG3 LYS 30 HG3 LYS 30 -10.084 26.554 -27.895 234 HD2 LYS 30 HD2 LYS 30 -11.323 28.645 -28.077 235 HD3 LYS 30 HD3 LYS 30 -11.080 28.953 -26.357 236 HE2 LYS 30 HE2 LYS 30 -8.561 28.419 -27.621 237 HE3 LYS 30 HE3 LYS 30 -9.412 29.689 -28.499 238 HZ1 LYS 30 HZ1 LYS 30 -8.843 31.105 -26.916 239 HZ2 LYS 30 HZ2 LYS 30 -8.040 29.882 -26.067 240 HZ3 LYS 30 HZ3 LYS 30 -9.674 30.191 -25.761 241 H LEU 31 H LEU 31 -12.541 24.961 -24.262 242 HA LEU 31 HA LEU 31 -15.018 23.460 -24.809 243 HB2 LEU 31 HB2 LEU 31 -13.000 23.203 -22.664 244 HB3 LEU 31 HB3 LEU 31 -14.688 23.059 -22.176 245 HG LEU 31 HG LEU 31 -14.883 21.273 -23.993 246 HD11 LEU 31 HD11 LEU 31 -13.115 20.688 -25.202 247 HD12 LEU 31 HD12 LEU 31 -12.102 20.539 -23.766 248 HD13 LEU 31 HD13 LEU 31 -12.289 22.105 -24.554 249 HD21 LEU 31 HD21 LEU 31 -14.412 19.615 -22.459 250 HD22 LEU 31 HD22 LEU 31 -14.595 21.027 -21.417 251 HD23 LEU 31 HD23 LEU 31 -12.984 20.446 -21.839 252 H THR 32 H THR 32 -16.830 24.545 -24.446 253 HA THR 32 HA THR 32 -16.782 27.180 -23.332 254 HB THR 32 HB THR 32 -19.073 27.339 -23.890 255 HG1 THR 32 HG1 THR 32 -20.362 25.701 -23.568 256 HG21 THR 32 HG21 THR 32 -18.901 27.105 -26.130 257 HG22 THR 32 HG22 THR 32 -18.460 25.401 -26.023 258 HG23 THR 32 HG23 THR 32 -17.239 26.645 -25.761 259 H ALA 33 H ALA 33 -18.633 27.740 -21.714 260 HA ALA 33 HA ALA 33 -17.970 26.836 -19.209 261 HB1 ALA 33 HB1 ALA 33 -20.405 28.159 -20.310 262 HB2 ALA 33 HB2 ALA 33 -20.407 27.599 -18.638 263 HB3 ALA 33 HB3 ALA 33 -19.205 28.773 -19.172 264 H GLU 34 H GLU 34 -20.301 25.478 -21.461 265 HA GLU 34 HA GLU 34 -21.509 23.675 -19.632 266 HB2 GLU 34 HB2 GLU 34 -21.664 24.264 -22.472 267 HB3 GLU 34 HB3 GLU 34 -21.743 22.534 -22.165 268 HG2 GLU 34 HG2 GLU 34 -23.964 23.331 -22.191 269 HG3 GLU 34 HG3 GLU 34 -23.559 23.005 -20.506 270 H GLU 35 H GLU 35 -18.968 23.268 -22.086 271 HA GLU 35 HA GLU 35 -18.500 20.532 -21.550 272 HB2 GLU 35 HB2 GLU 35 -16.544 22.531 -22.692 273 HB3 GLU 35 HB3 GLU 35 -16.494 20.784 -22.878 274 HG2 GLU 35 HG2 GLU 35 -18.490 20.814 -24.213 275 HG3 GLU 35 HG3 GLU 35 -18.699 22.541 -23.926 276 H LEU 36 H LEU 36 -17.155 23.501 -20.234 277 HA LEU 36 HA LEU 36 -15.018 22.320 -18.807 278 HB2 LEU 36 HB2 LEU 36 -14.855 24.622 -19.145 279 HB3 LEU 36 HB3 LEU 36 -16.501 24.913 -18.586 280 HG LEU 36 HG LEU 36 -15.731 24.333 -16.277 281 HD11 LEU 36 HD11 LEU 36 -13.060 24.799 -16.284 282 HD12 LEU 36 HD12 LEU 36 -13.246 23.851 -17.759 283 HD13 LEU 36 HD13 LEU 36 -13.798 23.198 -16.217 284 HD21 LEU 36 HD21 LEU 36 -14.733 26.678 -17.827 285 HD22 LEU 36 HD22 LEU 36 -14.247 26.485 -16.143 286 HD23 LEU 36 HD23 LEU 36 -15.957 26.603 -16.558 287 H GLY 37 H GLY 37 -18.353 23.119 -17.911 288 HA2 GLY 37 HA2 GLY 37 -18.191 22.492 -15.185 289 HA3 GLY 37 HA3 GLY 37 -19.657 22.431 -16.153 290 H THR 38 H THR 38 -18.577 20.422 -17.986 291 HA THR 38 HA THR 38 -19.371 18.102 -16.535 292 HB THR 38 HB THR 38 -18.144 18.336 -19.290 293 HG1 THR 38 HG1 THR 38 -20.210 18.433 -20.000 294 HG21 THR 38 HG21 THR 38 -19.783 16.041 -19.017 295 HG22 THR 38 HG22 THR 38 -18.643 16.040 -17.672 296 HG23 THR 38 HG23 THR 38 -18.049 16.112 -19.331 297 H VAL 39 H VAL 39 -16.274 19.220 -17.866 298 HA VAL 39 HA VAL 39 -14.802 16.957 -16.942 299 HB VAL 39 HB VAL 39 -13.991 18.256 -18.831 300 HG11 VAL 39 HG11 VAL 39 -14.803 20.451 -18.157 301 HG12 VAL 39 HG12 VAL 39 -13.619 20.499 -16.849 302 HG13 VAL 39 HG13 VAL 39 -13.080 20.508 -18.528 303 HG21 VAL 39 HG21 VAL 39 -12.457 17.451 -16.603 304 HG22 VAL 39 HG22 VAL 39 -11.946 17.586 -18.285 305 HG23 VAL 39 HG23 VAL 39 -11.759 18.958 -17.194 306 H MET 40 H MET 40 -15.546 20.130 -15.643 307 HA MET 40 HA MET 40 -13.669 20.051 -13.509 308 HB2 MET 40 HB2 MET 40 -14.986 22.064 -14.526 309 HB3 MET 40 HB3 MET 40 -16.228 21.606 -13.369 310 HG2 MET 40 HG2 MET 40 -15.170 22.728 -11.793 311 HG3 MET 40 HG3 MET 40 -13.769 21.675 -11.982 312 HE1 MET 40 HE1 MET 40 -11.878 22.584 -11.826 313 HE2 MET 40 HE2 MET 40 -11.142 23.866 -12.788 314 HE3 MET 40 HE3 MET 40 -12.049 24.268 -11.330 315 H ARG 41 H ARG 41 -16.968 18.941 -13.912 316 HA ARG 41 HA ARG 41 -17.726 18.565 -11.273 317 HB2 ARG 41 HB2 ARG 41 -18.426 17.210 -13.844 318 HB3 ARG 41 HB3 ARG 41 -18.991 16.508 -12.334 319 HG2 ARG 41 HG2 ARG 41 -20.406 18.250 -11.890 320 HG3 ARG 41 HG3 ARG 41 -19.450 19.406 -12.819 321 HD2 ARG 41 HD2 ARG 41 -20.911 19.145 -14.476 322 HD3 ARG 41 HD3 ARG 41 -20.280 17.512 -14.680 323 HE ARG 41 HE ARG 41 -22.142 17.306 -12.683 324 HH11 ARG 41 HH11 ARG 41 -22.144 18.418 -15.982 325 HH12 ARG 41 HH12 ARG 41 -23.797 17.982 -16.265 326 HH21 ARG 41 HH21 ARG 41 -24.319 16.728 -13.043 327 HH22 ARG 41 HH22 ARG 41 -25.033 17.022 -14.593 328 H ALA 42 H ALA 42 -15.644 16.608 -13.313 329 HA ALA 42 HA ALA 42 -15.506 14.376 -11.544 330 HB1 ALA 42 HB1 ALA 42 -13.237 14.842 -13.363 331 HB2 ALA 42 HB2 ALA 42 -14.238 13.408 -13.136 332 HB3 ALA 42 HB3 ALA 42 -14.824 14.743 -14.126 333 H LEU 43 H LEU 43 -13.899 17.433 -11.723 334 HA LEU 43 HA LEU 43 -11.746 16.594 -9.953 335 HB2 LEU 43 HB2 LEU 43 -12.387 19.084 -11.474 336 HB3 LEU 43 HB3 LEU 43 -11.247 19.148 -10.131 337 HG LEU 43 HG LEU 43 -10.065 18.961 -12.235 338 HD11 LEU 43 HD11 LEU 43 -9.774 17.229 -10.032 339 HD12 LEU 43 HD12 LEU 43 -8.540 17.755 -11.176 340 HD13 LEU 43 HD13 LEU 43 -9.453 16.278 -11.483 341 HD21 LEU 43 HD21 LEU 43 -10.296 16.978 -13.649 342 HD22 LEU 43 HD22 LEU 43 -11.811 17.878 -13.548 343 HD23 LEU 43 HD23 LEU 43 -11.603 16.393 -12.618 344 H GLY 44 H GLY 44 -14.802 18.234 -9.835 345 HA2 GLY 44 HA2 GLY 44 -14.309 18.918 -7.004 346 HA3 GLY 44 HA3 GLY 44 -15.442 19.768 -8.043 347 H ALA 45 H ALA 45 -17.367 18.618 -8.738 348 HA ALA 45 HA ALA 45 -19.226 17.360 -8.358 349 HB1 ALA 45 HB1 ALA 45 -18.508 15.273 -8.684 350 HB2 ALA 45 HB2 ALA 45 -17.002 15.566 -7.814 351 HB3 ALA 45 HB3 ALA 45 -18.464 15.135 -6.926 352 H ASN 46 H ASN 46 -19.993 19.006 -6.927 353 HA ASN 46 HA ASN 46 -20.875 18.074 -4.450 354 HB2 ASN 46 HB2 ASN 46 -18.214 19.170 -4.381 355 HB3 ASN 46 HB3 ASN 46 -19.299 20.185 -3.436 356 HD21 ASN 46 HD21 ASN 46 -18.316 19.582 -1.512 357 HD22 ASN 46 HD22 ASN 46 -18.556 18.022 -0.807 358 HA PRO 47 HA PRO 47 -21.856 22.790 -4.751 359 HB2 PRO 47 HB2 PRO 47 -20.610 24.211 -6.700 360 HB3 PRO 47 HB3 PRO 47 -19.931 24.000 -5.082 361 HG2 PRO 47 HG2 PRO 47 -19.288 22.534 -7.612 362 HG3 PRO 47 HG3 PRO 47 -18.188 23.153 -6.366 363 HD2 PRO 47 HD2 PRO 47 -18.910 20.547 -6.508 364 HD3 PRO 47 HD3 PRO 47 -18.558 21.358 -4.969 365 H THR 48 H THR 48 -22.677 24.365 -6.700 366 HA THR 48 HA THR 48 -24.231 22.582 -8.442 367 HB THR 48 HB THR 48 -24.917 25.472 -8.137 368 HG1 THR 48 HG1 THR 48 -26.033 24.987 -6.205 369 HG21 THR 48 HG21 THR 48 -26.746 24.786 -9.204 370 HG22 THR 48 HG22 THR 48 -27.108 23.668 -7.890 371 HG23 THR 48 HG23 THR 48 -26.105 23.143 -9.243 372 H LYS 49 H LYS 49 -24.618 23.189 -10.643 373 HA LYS 49 HA LYS 49 -22.309 23.983 -12.031 374 HB2 LYS 49 HB2 LYS 49 -25.172 23.865 -12.997 375 HB3 LYS 49 HB3 LYS 49 -23.757 23.989 -14.035 376 HG2 LYS 49 HG2 LYS 49 -23.016 21.811 -12.809 377 HG3 LYS 49 HG3 LYS 49 -24.735 21.675 -12.430 378 HD2 LYS 49 HD2 LYS 49 -23.847 22.202 -15.240 379 HD3 LYS 49 HD3 LYS 49 -23.805 20.562 -14.588 380 HE2 LYS 49 HE2 LYS 49 -26.300 21.529 -13.854 381 HE3 LYS 49 HE3 LYS 49 -26.060 22.150 -15.486 382 HZ1 LYS 49 HZ1 LYS 49 -26.847 19.604 -14.772 383 HZ2 LYS 49 HZ2 LYS 49 -25.256 19.438 -15.324 384 HZ3 LYS 49 HZ3 LYS 49 -26.426 20.145 -16.319 385 H GLN 50 H GLN 50 -25.152 25.761 -10.993 386 HA GLN 50 HA GLN 50 -24.694 28.099 -12.512 387 HB2 GLN 50 HB2 GLN 50 -26.313 29.157 -11.085 388 HB3 GLN 50 HB3 GLN 50 -26.851 27.513 -11.404 389 HG2 GLN 50 HG2 GLN 50 -27.194 27.455 -9.196 390 HG3 GLN 50 HG3 GLN 50 -25.462 27.138 -9.124 391 HE21 GLN 50 HE21 GLN 50 -26.635 28.170 -6.949 392 HE22 GLN 50 HE22 GLN 50 -26.196 29.828 -6.738 393 H LYS 51 H LYS 51 -23.524 26.994 -9.397 394 HA LYS 51 HA LYS 51 -22.412 29.480 -8.575 395 HB2 LYS 51 HB2 LYS 51 -21.458 26.766 -7.682 396 HB3 LYS 51 HB3 LYS 51 -21.422 28.279 -6.787 397 HG2 LYS 51 HG2 LYS 51 -24.107 27.887 -7.348 398 HG3 LYS 51 HG3 LYS 51 -23.499 26.277 -6.956 399 HD2 LYS 51 HD2 LYS 51 -22.445 27.313 -4.906 400 HD3 LYS 51 HD3 LYS 51 -23.374 28.769 -5.268 401 HE2 LYS 51 HE2 LYS 51 -25.026 27.864 -4.079 402 HE3 LYS 51 HE3 LYS 51 -25.241 26.732 -5.414 403 HZ1 LYS 51 HZ1 LYS 51 -24.257 26.254 -2.778 404 HZ2 LYS 51 HZ2 LYS 51 -23.185 25.683 -3.956 405 HZ3 LYS 51 HZ3 LYS 51 -24.790 25.150 -3.943 406 H ILE 52 H ILE 52 -20.977 26.545 -9.988 407 HA ILE 52 HA ILE 52 -18.351 27.549 -10.155 408 HB ILE 52 HB ILE 52 -18.791 25.166 -10.316 409 HG12 ILE 52 HG12 ILE 52 -17.608 26.272 -12.873 410 HG13 ILE 52 HG13 ILE 52 -16.745 26.044 -11.356 411 HG21 ILE 52 HG21 ILE 52 -20.938 25.342 -11.522 412 HG22 ILE 52 HG22 ILE 52 -20.053 25.746 -12.992 413 HG23 ILE 52 HG23 ILE 52 -19.845 24.163 -12.244 414 HD11 ILE 52 HD11 ILE 52 -17.984 23.844 -12.992 415 HD12 ILE 52 HD12 ILE 52 -16.275 24.279 -12.985 416 HD13 ILE 52 HD13 ILE 52 -17.031 23.651 -11.521 417 H SER 53 H SER 53 -21.097 27.715 -12.342 418 HA SER 53 HA SER 53 -19.705 28.671 -14.606 419 HB2 SER 53 HB2 SER 53 -21.893 29.300 -15.468 420 HB3 SER 53 HB3 SER 53 -22.005 27.727 -14.678 421 HG SER 53 HG SER 53 -23.411 29.899 -14.163 422 H GLU 54 H GLU 54 -21.026 30.245 -11.774 423 HA GLU 54 HA GLU 54 -20.829 32.905 -12.795 424 HB2 GLU 54 HB2 GLU 54 -22.246 31.985 -10.810 425 HB3 GLU 54 HB3 GLU 54 -20.784 32.248 -9.868 426 HG2 GLU 54 HG2 GLU 54 -20.797 34.612 -10.565 427 HG3 GLU 54 HG3 GLU 54 -22.314 34.327 -11.415 428 H ILE 55 H ILE 55 -18.690 30.738 -11.080 429 HA ILE 55 HA ILE 55 -16.763 32.738 -10.382 430 HB ILE 55 HB ILE 55 -16.472 29.735 -10.514 431 HG12 ILE 55 HG12 ILE 55 -18.180 30.531 -8.909 432 HG13 ILE 55 HG13 ILE 55 -16.802 29.791 -8.102 433 HG21 ILE 55 HG21 ILE 55 -14.634 30.545 -8.718 434 HG22 ILE 55 HG22 ILE 55 -14.285 30.271 -10.424 435 HG23 ILE 55 HG23 ILE 55 -14.600 31.905 -9.839 436 HD11 ILE 55 HD11 ILE 55 -17.294 32.745 -8.402 437 HD12 ILE 55 HD12 ILE 55 -17.543 31.789 -6.941 438 HD13 ILE 55 HD13 ILE 55 -15.916 32.003 -7.589 439 H VAL 56 H VAL 56 -17.037 30.306 -12.946 440 HA VAL 56 HA VAL 56 -14.528 30.899 -14.145 441 HB VAL 56 HB VAL 56 -15.619 28.751 -14.524 442 HG11 VAL 56 HG11 VAL 56 -17.611 28.524 -15.853 443 HG12 VAL 56 HG12 VAL 56 -17.945 29.623 -14.515 444 HG13 VAL 56 HG13 VAL 56 -17.671 30.262 -16.137 445 HG21 VAL 56 HG21 VAL 56 -14.394 28.707 -16.377 446 HG22 VAL 56 HG22 VAL 56 -15.760 29.383 -17.265 447 HG23 VAL 56 HG23 VAL 56 -14.549 30.454 -16.560 448 H LYS 57 H LYS 57 -17.831 32.011 -14.685 449 HA LYS 57 HA LYS 57 -17.203 33.524 -17.029 450 HB2 LYS 57 HB2 LYS 57 -19.443 34.252 -16.986 451 HB3 LYS 57 HB3 LYS 57 -19.490 32.613 -16.347 452 HG2 LYS 57 HG2 LYS 57 -20.703 33.490 -14.697 453 HG3 LYS 57 HG3 LYS 57 -19.165 34.099 -14.078 454 HD2 LYS 57 HD2 LYS 57 -19.561 36.151 -15.515 455 HD3 LYS 57 HD3 LYS 57 -21.204 35.550 -15.751 456 HE2 LYS 57 HE2 LYS 57 -21.007 35.377 -13.067 457 HE3 LYS 57 HE3 LYS 57 -19.939 36.746 -13.370 458 HZ1 LYS 57 HZ1 LYS 57 -21.677 38.050 -13.736 459 HZ2 LYS 57 HZ2 LYS 57 -22.686 36.794 -13.220 460 HZ3 LYS 57 HZ3 LYS 57 -22.341 36.980 -14.866 461 H ASP 58 H ASP 58 -16.955 34.072 -13.642 462 HA ASP 58 HA ASP 58 -16.770 36.966 -13.960 463 HB2 ASP 58 HB2 ASP 58 -17.992 35.961 -12.021 464 HB3 ASP 58 HB3 ASP 58 -16.456 35.318 -11.443 465 H TYR 59 H TYR 59 -14.755 34.171 -13.544 466 HA TYR 59 HA TYR 59 -12.400 35.767 -12.934 467 HB2 TYR 59 HB2 TYR 59 -12.951 33.441 -11.950 468 HB3 TYR 59 HB3 TYR 59 -12.397 32.812 -13.497 469 HD1 TYR 59 HD1 TYR 59 -10.050 32.943 -14.126 470 HD2 TYR 59 HD2 TYR 59 -11.396 34.441 -10.378 471 HE1 TYR 59 HE1 TYR 59 -7.724 33.027 -13.332 472 HE2 TYR 59 HE2 TYR 59 -9.074 34.531 -9.574 473 HH TYR 59 HH TYR 59 -6.448 34.424 -11.517 474 H ASP 60 H ASP 60 -13.874 34.098 -15.615 475 HA ASP 60 HA ASP 60 -11.533 34.671 -17.296 476 HB2 ASP 60 HB2 ASP 60 -12.742 32.333 -17.126 477 HB3 ASP 60 HB3 ASP 60 -13.865 33.069 -18.266 478 H LYS 61 H LYS 61 -12.444 36.978 -16.965 479 HA LYS 61 HA LYS 61 -14.501 37.539 -18.993 480 HB2 LYS 61 HB2 LYS 61 -14.923 39.617 -17.856 481 HB3 LYS 61 HB3 LYS 61 -14.953 38.320 -16.668 482 HG2 LYS 61 HG2 LYS 61 -12.446 38.968 -16.329 483 HG3 LYS 61 HG3 LYS 61 -12.954 40.495 -17.053 484 HD2 LYS 61 HD2 LYS 61 -14.232 41.073 -15.264 485 HD3 LYS 61 HD3 LYS 61 -14.664 39.402 -14.896 486 HE2 LYS 61 HE2 LYS 61 -12.293 39.084 -14.108 487 HE3 LYS 61 HE3 LYS 61 -12.088 40.828 -14.260 488 HZ1 LYS 61 HZ1 LYS 61 -13.558 39.300 -12.275 489 HZ2 LYS 61 HZ2 LYS 61 -14.304 40.725 -12.801 490 HZ3 LYS 61 HZ3 LYS 61 -12.754 40.781 -12.125 491 H ASP 62 H ASP 62 -11.195 37.665 -18.427 492 HA ASP 62 HA ASP 62 -10.699 39.997 -20.088 493 HB2 ASP 62 HB2 ASP 62 -8.458 39.839 -19.444 494 HB3 ASP 62 HB3 ASP 62 -9.320 39.260 -18.021 495 H ASN 63 H ASN 63 -11.750 37.099 -20.845 496 HA ASN 63 HA ASN 63 -10.446 37.120 -23.442 497 HB2 ASN 63 HB2 ASN 63 -10.142 34.930 -21.434 498 HB3 ASN 63 HB3 ASN 63 -10.291 34.489 -23.133 499 HD21 ASN 63 HD21 ASN 63 -8.864 35.969 -24.580 500 HD22 ASN 63 HD22 ASN 63 -7.229 36.137 -24.048 501 H SER 64 H SER 64 -12.378 34.681 -21.719 502 HA SER 64 HA SER 64 -14.867 35.356 -22.803 503 HB2 SER 64 HB2 SER 64 -13.309 34.439 -24.821 504 HB3 SER 64 HB3 SER 64 -14.007 32.922 -24.253 505 HG SER 64 HG SER 64 -15.144 34.832 -25.737 506 H GLY 65 H GLY 65 -16.123 32.954 -23.086 507 HA2 GLY 65 HA2 GLY 65 -15.775 31.808 -20.400 508 HA3 GLY 65 HA3 GLY 65 -17.250 31.750 -21.352 509 H LYS 66 H LYS 66 -14.068 31.013 -22.629 510 HA LYS 66 HA LYS 66 -14.878 28.187 -22.840 511 HB2 LYS 66 HB2 LYS 66 -13.637 30.036 -24.832 512 HB3 LYS 66 HB3 LYS 66 -13.219 28.329 -24.894 513 HG2 LYS 66 HG2 LYS 66 -15.757 27.922 -24.897 514 HG3 LYS 66 HG3 LYS 66 -15.879 29.630 -25.323 515 HD2 LYS 66 HD2 LYS 66 -14.252 27.592 -26.840 516 HD3 LYS 66 HD3 LYS 66 -15.875 28.122 -27.292 517 HE2 LYS 66 HE2 LYS 66 -14.667 30.508 -27.059 518 HE3 LYS 66 HE3 LYS 66 -13.280 29.521 -27.518 519 HZ1 LYS 66 HZ1 LYS 66 -15.819 29.459 -29.035 520 HZ2 LYS 66 HZ2 LYS 66 -14.293 28.918 -29.524 521 HZ3 LYS 66 HZ3 LYS 66 -14.595 30.575 -29.380 522 H PHE 67 H PHE 67 -12.985 26.691 -23.142 523 HA PHE 67 HA PHE 67 -10.698 27.601 -21.522 524 HB2 PHE 67 HB2 PHE 67 -12.407 25.201 -21.303 525 HB3 PHE 67 HB3 PHE 67 -10.678 24.915 -21.133 526 HD1 PHE 67 HD1 PHE 67 -12.797 27.776 -20.042 527 HD2 PHE 67 HD2 PHE 67 -10.272 24.547 -18.896 528 HE1 PHE 67 HE1 PHE 67 -12.907 28.526 -17.702 529 HE2 PHE 67 HE2 PHE 67 -10.379 25.291 -16.552 530 HZ PHE 67 HZ PHE 67 -11.697 27.283 -15.953 531 H ASP 68 H ASP 68 -8.686 27.186 -22.265 532 HA ASP 68 HA ASP 68 -8.487 25.754 -24.832 533 HB2 ASP 68 HB2 ASP 68 -7.883 28.024 -25.190 534 HB3 ASP 68 HB3 ASP 68 -6.912 28.074 -23.721 535 H GLN 69 H GLN 69 -7.059 24.113 -25.056 536 HA GLN 69 HA GLN 69 -6.211 22.621 -22.915 537 HB2 GLN 69 HB2 GLN 69 -4.765 22.750 -25.563 538 HB3 GLN 69 HB3 GLN 69 -4.810 21.395 -24.443 539 HG2 GLN 69 HG2 GLN 69 -7.377 21.500 -24.846 540 HG3 GLN 69 HG3 GLN 69 -6.920 22.386 -26.300 541 HE21 GLN 69 HE21 GLN 69 -7.485 20.874 -27.781 542 HE22 GLN 69 HE22 GLN 69 -6.725 19.329 -27.921 543 H GLU 70 H GLU 70 -4.535 25.256 -24.529 544 HA GLU 70 HA GLU 70 -2.033 24.887 -23.244 545 HB2 GLU 70 HB2 GLU 70 -2.995 26.508 -25.263 546 HB3 GLU 70 HB3 GLU 70 -2.669 27.647 -23.963 547 HG2 GLU 70 HG2 GLU 70 -0.575 27.664 -24.692 548 HG3 GLU 70 HG3 GLU 70 -0.426 26.063 -23.970 549 H THR 71 H THR 71 -4.892 26.816 -22.490 550 HA THR 71 HA THR 71 -3.819 28.268 -20.337 551 HB THR 71 HB THR 71 -6.682 27.413 -20.807 552 HG1 THR 71 HG1 THR 71 -5.329 29.852 -21.405 553 HG21 THR 71 HG21 THR 71 -7.231 29.348 -19.346 554 HG22 THR 71 HG22 THR 71 -5.517 29.500 -18.962 555 HG23 THR 71 HG23 THR 71 -6.400 28.046 -18.496 556 H PHE 72 H PHE 72 -5.484 25.143 -20.459 557 HA PHE 72 HA PHE 72 -5.526 24.746 -17.647 558 HB2 PHE 72 HB2 PHE 72 -7.020 23.577 -19.280 559 HB3 PHE 72 HB3 PHE 72 -5.629 22.637 -19.810 560 HD1 PHE 72 HD1 PHE 72 -4.436 21.202 -18.080 561 HD2 PHE 72 HD2 PHE 72 -8.291 22.896 -17.456 562 HE1 PHE 72 HE1 PHE 72 -4.865 19.562 -16.297 563 HE2 PHE 72 HE2 PHE 72 -8.726 21.258 -15.672 564 HZ PHE 72 HZ PHE 72 -7.013 19.588 -15.092 565 H LEU 73 H LEU 73 -3.298 23.803 -20.215 566 HA LEU 73 HA LEU 73 -1.645 22.168 -18.581 567 HB2 LEU 73 HB2 LEU 73 -1.800 22.901 -21.302 568 HB3 LEU 73 HB3 LEU 73 -0.180 23.319 -20.750 569 HG LEU 73 HG LEU 73 -0.663 20.728 -19.795 570 HD11 LEU 73 HD11 LEU 73 -0.966 19.778 -22.270 571 HD12 LEU 73 HD12 LEU 73 -1.950 21.235 -22.409 572 HD13 LEU 73 HD13 LEU 73 -2.322 20.035 -21.171 573 HD21 LEU 73 HD21 LEU 73 1.113 22.108 -21.680 574 HD22 LEU 73 HD22 LEU 73 0.937 20.374 -21.956 575 HD23 LEU 73 HD23 LEU 73 1.489 20.966 -20.390 576 H THR 74 H THR 74 -1.790 25.581 -19.239 577 HA THR 74 HA THR 74 0.823 26.179 -18.214 578 HB THR 74 HB THR 74 -1.526 28.023 -18.694 579 HG1 THR 74 HG1 THR 74 0.625 27.134 -20.305 580 HG21 THR 74 HG21 THR 74 -0.156 29.263 -17.303 581 HG22 THR 74 HG22 THR 74 0.487 29.679 -18.891 582 HG23 THR 74 HG23 THR 74 1.315 28.488 -17.887 583 H ILE 75 H ILE 75 -2.488 26.384 -16.968 584 HA ILE 75 HA ILE 75 -1.740 27.503 -14.457 585 HB ILE 75 HB ILE 75 -4.018 26.968 -13.737 586 HG12 ILE 75 HG12 ILE 75 -4.198 25.526 -16.390 587 HG13 ILE 75 HG13 ILE 75 -4.286 24.793 -14.792 588 HG21 ILE 75 HG21 ILE 75 -4.734 27.919 -16.370 589 HG22 ILE 75 HG22 ILE 75 -4.747 28.767 -14.824 590 HG23 ILE 75 HG23 ILE 75 -3.265 28.695 -15.778 591 HD11 ILE 75 HD11 ILE 75 -6.350 26.121 -14.380 592 HD12 ILE 75 HD12 ILE 75 -6.288 26.637 -16.065 593 HD13 ILE 75 HD13 ILE 75 -6.490 24.930 -15.672 594 H MET 76 H MET 76 -2.227 24.232 -15.655 595 HA MET 76 HA MET 76 -2.046 23.000 -13.075 596 HB2 MET 76 HB2 MET 76 -2.180 20.932 -14.213 597 HB3 MET 76 HB3 MET 76 -3.200 22.037 -15.125 598 HG2 MET 76 HG2 MET 76 -2.101 21.170 -16.877 599 HG3 MET 76 HG3 MET 76 -0.888 22.371 -16.438 600 HE1 MET 76 HE1 MET 76 -1.435 19.237 -17.672 601 HE2 MET 76 HE2 MET 76 0.199 19.687 -18.162 602 HE3 MET 76 HE3 MET 76 -0.067 18.218 -17.224 603 H LEU 77 H LEU 77 0.200 23.905 -15.582 604 HA LEU 77 HA LEU 77 2.377 22.337 -14.549 605 HB2 LEU 77 HB2 LEU 77 2.340 22.822 -16.891 606 HB3 LEU 77 HB3 LEU 77 2.241 24.554 -16.581 607 HG LEU 77 HG LEU 77 4.623 23.435 -15.396 608 HD11 LEU 77 HD11 LEU 77 5.752 22.996 -17.600 609 HD12 LEU 77 HD12 LEU 77 4.144 22.910 -18.320 610 HD13 LEU 77 HD13 LEU 77 4.613 21.758 -17.070 611 HD21 LEU 77 HD21 LEU 77 4.234 25.806 -15.861 612 HD22 LEU 77 HD22 LEU 77 4.187 25.461 -17.590 613 HD23 LEU 77 HD23 LEU 77 5.680 25.214 -16.682 614 H GLU 78 H GLU 78 1.330 25.703 -14.360 615 HA GLU 78 HA GLU 78 3.633 26.580 -12.908 616 HB2 GLU 78 HB2 GLU 78 2.419 28.669 -12.618 617 HB3 GLU 78 HB3 GLU 78 2.293 28.119 -14.283 618 HG2 GLU 78 HG2 GLU 78 0.145 28.791 -13.835 619 HG3 GLU 78 HG3 GLU 78 0.062 27.062 -13.507 620 H TYR 79 H TYR 79 0.542 25.224 -12.081 621 HA TYR 79 HA TYR 79 0.694 25.967 -9.298 622 HB2 TYR 79 HB2 TYR 79 -1.467 25.672 -10.533 623 HB3 TYR 79 HB3 TYR 79 -1.137 23.945 -10.602 624 HD1 TYR 79 HD1 TYR 79 -1.984 26.757 -8.388 625 HD2 TYR 79 HD2 TYR 79 -1.410 22.549 -8.663 626 HE1 TYR 79 HE1 TYR 79 -3.035 26.474 -6.183 627 HE2 TYR 79 HE2 TYR 79 -2.460 22.256 -6.459 628 HH TYR 79 HH TYR 79 -4.213 23.685 -5.052 629 H GLY 80 H GLY 80 1.615 23.265 -11.287 630 HA2 GLY 80 HA2 GLY 80 2.161 21.608 -8.932 631 HA3 GLY 80 HA3 GLY 80 2.207 21.072 -10.604 632 H GLN 81 H GLN 81 3.756 24.043 -9.720 633 HA GLN 81 HA GLN 81 6.301 23.015 -10.580 634 HB2 GLN 81 HB2 GLN 81 5.157 25.478 -10.673 635 HB3 GLN 81 HB3 GLN 81 6.216 25.662 -9.281 636 HG2 GLN 81 HG2 GLN 81 8.136 25.081 -10.594 637 HG3 GLN 81 HG3 GLN 81 7.120 24.697 -11.982 638 HE21 GLN 81 HE21 GLN 81 8.544 27.208 -10.078 639 HE22 GLN 81 HE22 GLN 81 8.175 28.515 -11.145 640 H GLU 82 H GLU 82 4.702 23.588 -7.562 641 HA GLU 82 HA GLU 82 6.815 23.889 -5.806 642 HB2 GLU 82 HB2 GLU 82 4.063 23.397 -5.606 643 HB3 GLU 82 HB3 GLU 82 4.830 22.095 -4.708 644 HG2 GLU 82 HG2 GLU 82 5.979 24.701 -4.127 645 HG3 GLU 82 HG3 GLU 82 4.259 24.603 -3.755 646 H VAL 83 H VAL 83 5.684 21.020 -7.450 647 HA VAL 83 HA VAL 83 7.522 19.322 -5.938 648 HB VAL 83 HB VAL 83 6.515 17.455 -7.222 649 HG11 VAL 83 HG11 VAL 83 5.418 18.919 -5.139 650 HG12 VAL 83 HG12 VAL 83 4.069 18.661 -6.249 651 HG13 VAL 83 HG13 VAL 83 4.975 17.283 -5.622 652 HG21 VAL 83 HG21 VAL 83 4.423 19.335 -8.231 653 HG22 VAL 83 HG22 VAL 83 5.908 19.093 -9.151 654 HG23 VAL 83 HG23 VAL 83 4.852 17.724 -8.804 655 H ASP 84 H ASP 84 9.175 18.127 -6.909 656 HA ASP 84 HA ASP 84 10.645 19.431 -8.911 657 HB2 ASP 84 HB2 ASP 84 10.857 16.592 -7.888 658 HB3 ASP 84 HB3 ASP 84 12.054 17.375 -8.916 659 H SER 85 H SER 85 8.272 16.872 -9.060 660 HA SER 85 HA SER 85 7.307 15.750 -10.791 661 HB2 SER 85 HB2 SER 85 7.132 18.385 -11.373 662 HB3 SER 85 HB3 SER 85 8.026 17.820 -12.785 663 HG SER 85 HG SER 85 6.355 16.285 -13.117 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -7.383 16.156 3.200 2 HA MET 1 HA MET 1 -9.786 16.375 1.559 3 HB2 MET 1 HB2 MET 1 -9.738 17.157 4.479 4 HB3 MET 1 HB3 MET 1 -11.074 17.410 3.365 5 HG2 MET 1 HG2 MET 1 -11.868 15.485 4.138 6 HG3 MET 1 HG3 MET 1 -10.631 14.723 3.142 7 HE1 MET 1 HE1 MET 1 -8.586 12.823 5.302 8 HE2 MET 1 HE2 MET 1 -10.273 12.357 5.084 9 HE3 MET 1 HE3 MET 1 -9.398 13.141 3.769 10 H SER 2 H SER 2 -7.644 17.470 0.637 11 HA SER 2 HA SER 2 -7.846 20.321 1.347 12 HB2 SER 2 HB2 SER 2 -5.604 20.558 1.566 13 HB3 SER 2 HB3 SER 2 -5.617 18.816 1.835 14 HG SER 2 HG SER 2 -4.120 19.350 0.228 15 H GLU 3 H GLU 3 -7.427 21.808 -0.383 16 HA GLU 3 HA GLU 3 -8.083 20.659 -3.006 17 HB2 GLU 3 HB2 GLU 3 -8.722 23.221 -1.649 18 HB3 GLU 3 HB3 GLU 3 -8.480 23.284 -3.389 19 HG2 GLU 3 HG2 GLU 3 -10.309 21.236 -2.222 20 HG3 GLU 3 HG3 GLU 3 -10.855 22.902 -2.408 21 H GLN 4 H GLN 4 -5.895 20.065 -3.452 22 HA GLN 4 HA GLN 4 -4.352 22.294 -4.531 23 HB2 GLN 4 HB2 GLN 4 -3.280 20.282 -2.556 24 HB3 GLN 4 HB3 GLN 4 -2.245 21.268 -3.581 25 HG2 GLN 4 HG2 GLN 4 -4.231 22.335 -1.587 26 HG3 GLN 4 HG3 GLN 4 -2.497 22.176 -1.314 27 HE21 GLN 4 HE21 GLN 4 -4.284 24.536 -1.367 28 HE22 GLN 4 HE22 GLN 4 -3.575 25.618 -2.513 29 H LYS 5 H LYS 5 -2.979 21.735 -6.240 30 HA LYS 5 HA LYS 5 -3.533 19.089 -7.395 31 HB2 LYS 5 HB2 LYS 5 -4.235 21.064 -8.721 32 HB3 LYS 5 HB3 LYS 5 -2.561 21.600 -8.772 33 HG2 LYS 5 HG2 LYS 5 -2.018 19.413 -9.899 34 HG3 LYS 5 HG3 LYS 5 -3.757 19.156 -10.045 35 HD2 LYS 5 HD2 LYS 5 -2.435 21.660 -11.046 36 HD3 LYS 5 HD3 LYS 5 -2.542 20.205 -12.038 37 HE2 LYS 5 HE2 LYS 5 -4.892 21.624 -10.787 38 HE3 LYS 5 HE3 LYS 5 -4.375 21.815 -12.461 39 HZ1 LYS 5 HZ1 LYS 5 -5.524 20.019 -12.999 40 HZ2 LYS 5 HZ2 LYS 5 -6.065 19.871 -11.403 41 HZ3 LYS 5 HZ3 LYS 5 -4.656 19.078 -11.894 42 H LYS 6 H LYS 6 -1.961 17.678 -6.991 43 HA LYS 6 HA LYS 6 0.830 18.603 -7.196 44 HB2 LYS 6 HB2 LYS 6 -0.095 16.215 -5.604 45 HB3 LYS 6 HB3 LYS 6 1.473 17.009 -5.547 46 HG2 LYS 6 HG2 LYS 6 -1.143 18.143 -4.581 47 HG3 LYS 6 HG3 LYS 6 0.190 17.559 -3.581 48 HD2 LYS 6 HD2 LYS 6 1.623 19.313 -4.737 49 HD3 LYS 6 HD3 LYS 6 0.115 19.985 -5.361 50 HE2 LYS 6 HE2 LYS 6 -0.632 19.949 -2.878 51 HE3 LYS 6 HE3 LYS 6 1.093 19.822 -2.535 52 HZ1 LYS 6 HZ1 LYS 6 -0.162 21.979 -4.145 53 HZ2 LYS 6 HZ2 LYS 6 1.472 21.868 -3.720 54 HZ3 LYS 6 HZ3 LYS 6 0.303 22.123 -2.525 55 H VAL 7 H VAL 7 -0.492 17.889 -9.492 56 HA VAL 7 HA VAL 7 0.836 15.352 -10.168 57 HB VAL 7 HB VAL 7 -1.055 14.951 -11.808 58 HG11 VAL 7 HG11 VAL 7 -1.934 14.877 -8.933 59 HG12 VAL 7 HG12 VAL 7 -2.348 13.757 -10.231 60 HG13 VAL 7 HG13 VAL 7 -0.706 13.793 -9.584 61 HG21 VAL 7 HG21 VAL 7 -1.859 17.428 -11.290 62 HG22 VAL 7 HG22 VAL 7 -2.987 16.158 -11.769 63 HG23 VAL 7 HG23 VAL 7 -2.815 16.590 -10.067 64 H LEU 8 H LEU 8 1.931 15.324 -12.069 65 HA LEU 8 HA LEU 8 1.469 17.107 -14.219 66 HB2 LEU 8 HB2 LEU 8 2.426 18.749 -12.728 67 HB3 LEU 8 HB3 LEU 8 3.814 17.707 -12.422 68 HG LEU 8 HG LEU 8 3.921 18.023 -15.139 69 HD11 LEU 8 HD11 LEU 8 3.017 19.928 -15.841 70 HD12 LEU 8 HD12 LEU 8 3.669 20.827 -14.471 71 HD13 LEU 8 HD13 LEU 8 2.134 19.974 -14.316 72 HD21 LEU 8 HD21 LEU 8 5.274 19.267 -12.803 73 HD22 LEU 8 HD22 LEU 8 5.609 19.920 -14.407 74 HD23 LEU 8 HD23 LEU 8 5.924 18.218 -14.065 75 H THR 9 H THR 9 1.521 14.833 -14.968 76 HA THR 9 HA THR 9 4.247 14.123 -15.796 77 HB THR 9 HB THR 9 2.907 11.680 -15.600 78 HG1 THR 9 HG1 THR 9 1.833 11.687 -13.750 79 HG21 THR 9 HG21 THR 9 5.044 13.015 -13.960 80 HG22 THR 9 HG22 THR 9 5.226 11.792 -15.216 81 HG23 THR 9 HG23 THR 9 4.534 11.355 -13.653 82 H ALA 10 H ALA 10 4.155 12.411 -17.588 83 HA ALA 10 HA ALA 10 2.893 13.431 -19.818 84 HB1 ALA 10 HB1 ALA 10 3.871 10.639 -19.259 85 HB2 ALA 10 HB2 ALA 10 3.312 11.174 -20.845 86 HB3 ALA 10 HB3 ALA 10 4.717 11.938 -20.101 87 H GLU 11 H GLU 11 1.752 10.956 -17.574 88 HA GLU 11 HA GLU 11 -0.466 10.045 -18.986 89 HB2 GLU 11 HB2 GLU 11 0.330 10.130 -16.130 90 HB3 GLU 11 HB3 GLU 11 -1.376 9.863 -16.461 91 HG2 GLU 11 HG2 GLU 11 -0.175 8.121 -18.189 92 HG3 GLU 11 HG3 GLU 11 0.903 8.077 -16.794 93 H GLU 12 H GLU 12 -0.147 12.822 -16.816 94 HA GLU 12 HA GLU 12 -2.883 13.562 -16.885 95 HB2 GLU 12 HB2 GLU 12 -1.543 14.376 -15.086 96 HB3 GLU 12 HB3 GLU 12 -0.379 15.092 -16.190 97 HG2 GLU 12 HG2 GLU 12 -1.570 16.964 -16.429 98 HG3 GLU 12 HG3 GLU 12 -3.101 16.096 -16.524 99 H GLN 13 H GLN 13 -0.070 14.484 -18.805 100 HA GLN 13 HA GLN 13 -1.224 16.594 -20.238 101 HB2 GLN 13 HB2 GLN 13 1.182 16.144 -20.245 102 HB3 GLN 13 HB3 GLN 13 0.910 14.641 -21.117 103 HG2 GLN 13 HG2 GLN 13 -0.193 17.040 -22.398 104 HG3 GLN 13 HG3 GLN 13 1.565 16.991 -22.274 105 HE21 GLN 13 HE21 GLN 13 2.591 16.019 -23.863 106 HE22 GLN 13 HE22 GLN 13 1.925 14.845 -24.940 107 H GLN 14 H GLN 14 -0.918 13.160 -21.137 108 HA GLN 14 HA GLN 14 -2.379 13.385 -23.540 109 HB2 GLN 14 HB2 GLN 14 -2.527 10.917 -23.433 110 HB3 GLN 14 HB3 GLN 14 -0.893 11.510 -23.164 111 HG2 GLN 14 HG2 GLN 14 -1.334 11.293 -20.700 112 HG3 GLN 14 HG3 GLN 14 -2.827 10.454 -21.123 113 HE21 GLN 14 HE21 GLN 14 0.562 10.372 -22.191 114 HE22 GLN 14 HE22 GLN 14 0.728 8.656 -22.092 115 H GLU 15 H GLU 15 -3.323 12.507 -20.246 116 HA GLU 15 HA GLU 15 -5.945 11.716 -20.741 117 HB2 GLU 15 HB2 GLU 15 -4.502 12.828 -18.381 118 HB3 GLU 15 HB3 GLU 15 -6.258 12.762 -18.319 119 HG2 GLU 15 HG2 GLU 15 -6.197 10.365 -18.734 120 HG3 GLU 15 HG3 GLU 15 -4.438 10.421 -18.831 121 H TYR 16 H TYR 16 -4.634 14.946 -20.116 122 HA TYR 16 HA TYR 16 -7.164 16.255 -20.194 123 HB2 TYR 16 HB2 TYR 16 -5.269 17.249 -19.019 124 HB3 TYR 16 HB3 TYR 16 -4.368 17.362 -20.526 125 HD1 TYR 16 HD1 TYR 16 -7.788 18.347 -19.363 126 HD2 TYR 16 HD2 TYR 16 -4.206 19.503 -21.347 127 HE1 TYR 16 HE1 TYR 16 -8.734 20.582 -19.755 128 HE2 TYR 16 HE2 TYR 16 -5.141 21.742 -21.744 129 HH TYR 16 HH TYR 16 -8.462 22.475 -21.170 130 H LYS 17 H LYS 17 -4.588 15.711 -22.552 131 HA LYS 17 HA LYS 17 -5.528 17.317 -24.622 132 HB2 LYS 17 HB2 LYS 17 -4.008 14.708 -24.692 133 HB3 LYS 17 HB3 LYS 17 -4.314 15.684 -26.123 134 HG2 LYS 17 HG2 LYS 17 -3.201 17.332 -24.067 135 HG3 LYS 17 HG3 LYS 17 -2.191 15.903 -24.299 136 HD2 LYS 17 HD2 LYS 17 -3.170 17.485 -26.649 137 HD3 LYS 17 HD3 LYS 17 -1.746 18.003 -25.744 138 HE2 LYS 17 HE2 LYS 17 -1.590 15.191 -26.307 139 HE3 LYS 17 HE3 LYS 17 -1.883 16.089 -27.796 140 HZ1 LYS 17 HZ1 LYS 17 0.470 15.884 -27.394 141 HZ2 LYS 17 HZ2 LYS 17 0.314 16.579 -25.858 142 HZ3 LYS 17 HZ3 LYS 17 0.016 17.507 -27.240 143 H GLU 18 H GLU 18 -6.328 13.959 -23.818 144 HA GLU 18 HA GLU 18 -8.105 13.640 -26.041 145 HB2 GLU 18 HB2 GLU 18 -8.686 11.508 -25.030 146 HB3 GLU 18 HB3 GLU 18 -6.941 11.729 -25.008 147 HG2 GLU 18 HG2 GLU 18 -6.983 12.287 -22.676 148 HG3 GLU 18 HG3 GLU 18 -8.746 12.266 -22.662 149 H ALA 19 H ALA 19 -8.413 14.637 -22.706 150 HA ALA 19 HA ALA 19 -11.187 14.359 -22.401 151 HB1 ALA 19 HB1 ALA 19 -9.441 16.459 -21.126 152 HB2 ALA 19 HB2 ALA 19 -10.988 15.855 -20.533 153 HB3 ALA 19 HB3 ALA 19 -9.579 14.795 -20.560 154 H PHE 20 H PHE 20 -9.273 17.205 -23.370 155 HA PHE 20 HA PHE 20 -11.595 18.779 -23.936 156 HB2 PHE 20 HB2 PHE 20 -10.146 20.514 -24.275 157 HB3 PHE 20 HB3 PHE 20 -9.071 19.452 -23.372 158 HD1 PHE 20 HD1 PHE 20 -9.891 20.802 -26.675 159 HD2 PHE 20 HD2 PHE 20 -7.223 18.351 -24.442 160 HE1 PHE 20 HE1 PHE 20 -8.302 20.824 -28.555 161 HE2 PHE 20 HE2 PHE 20 -5.630 18.369 -26.316 162 HZ PHE 20 HZ PHE 20 -6.168 19.607 -28.376 163 H GLN 21 H GLN 21 -9.446 16.730 -25.786 164 HA GLN 21 HA GLN 21 -10.248 17.582 -28.363 165 HB2 GLN 21 HB2 GLN 21 -8.203 16.376 -28.174 166 HB3 GLN 21 HB3 GLN 21 -8.991 15.032 -27.357 167 HG2 GLN 21 HG2 GLN 21 -10.213 14.513 -29.418 168 HG3 GLN 21 HG3 GLN 21 -9.380 15.837 -30.231 169 HE21 GLN 21 HE21 GLN 21 -8.383 13.202 -28.069 170 HE22 GLN 21 HE22 GLN 21 -7.119 12.615 -29.089 171 H LEU 22 H LEU 22 -11.321 14.916 -26.281 172 HA LEU 22 HA LEU 22 -13.210 13.868 -28.108 173 HB2 LEU 22 HB2 LEU 22 -12.402 12.503 -26.318 174 HB3 LEU 22 HB3 LEU 22 -12.973 13.657 -25.114 175 HG LEU 22 HG LEU 22 -15.197 12.790 -26.678 176 HD11 LEU 22 HD11 LEU 22 -15.184 10.405 -26.090 177 HD12 LEU 22 HD12 LEU 22 -13.523 10.564 -25.524 178 HD13 LEU 22 HD13 LEU 22 -13.902 10.817 -27.228 179 HD21 LEU 22 HD21 LEU 22 -16.164 12.443 -24.610 180 HD22 LEU 22 HD22 LEU 22 -14.920 13.636 -24.236 181 HD23 LEU 22 HD23 LEU 22 -14.647 11.933 -23.867 182 H PHE 23 H PHE 23 -13.347 16.395 -25.694 183 HA PHE 23 HA PHE 23 -16.229 16.690 -26.018 184 HB2 PHE 23 HB2 PHE 23 -14.267 17.444 -24.008 185 HB3 PHE 23 HB3 PHE 23 -15.322 18.790 -24.429 186 HD1 PHE 23 HD1 PHE 23 -17.821 18.448 -24.277 187 HD2 PHE 23 HD2 PHE 23 -15.006 15.723 -22.614 188 HE1 PHE 23 HE1 PHE 23 -19.579 17.524 -22.825 189 HE2 PHE 23 HE2 PHE 23 -16.760 14.793 -21.160 190 HZ PHE 23 HZ PHE 23 -19.049 15.695 -21.263 191 H ASP 24 H ASP 24 -13.974 17.378 -28.026 192 HA ASP 24 HA ASP 24 -15.003 20.061 -28.673 193 HB2 ASP 24 HB2 ASP 24 -12.678 20.222 -27.892 194 HB3 ASP 24 HB3 ASP 24 -12.185 19.048 -29.110 195 H LYS 25 H LYS 25 -16.494 18.307 -29.744 196 HA LYS 25 HA LYS 25 -15.554 17.031 -32.102 197 HB2 LYS 25 HB2 LYS 25 -17.869 16.530 -32.551 198 HB3 LYS 25 HB3 LYS 25 -17.572 16.320 -30.831 199 HG2 LYS 25 HG2 LYS 25 -18.387 18.941 -31.006 200 HG3 LYS 25 HG3 LYS 25 -19.389 18.121 -32.206 201 HD2 LYS 25 HD2 LYS 25 -20.368 16.733 -30.625 202 HD3 LYS 25 HD3 LYS 25 -19.050 16.953 -29.471 203 HE2 LYS 25 HE2 LYS 25 -19.836 19.435 -29.466 204 HE3 LYS 25 HE3 LYS 25 -21.336 18.771 -30.113 205 HZ1 LYS 25 HZ1 LYS 25 -21.845 17.782 -28.165 206 HZ2 LYS 25 HZ2 LYS 25 -20.863 19.003 -27.524 207 HZ3 LYS 25 HZ3 LYS 25 -20.235 17.450 -27.764 208 H ASP 26 H ASP 26 -16.783 20.204 -31.394 209 HA ASP 26 HA ASP 26 -17.407 20.926 -34.085 210 HB2 ASP 26 HB2 ASP 26 -17.439 22.200 -31.463 211 HB3 ASP 26 HB3 ASP 26 -16.893 23.294 -32.731 212 H ASN 27 H ASN 27 -14.507 20.388 -32.522 213 HA ASN 27 HA ASN 27 -12.332 20.733 -33.090 214 HB2 ASN 27 HB2 ASN 27 -13.625 20.441 -35.475 215 HB3 ASN 27 HB3 ASN 27 -12.880 22.024 -35.682 216 HD21 ASN 27 HD21 ASN 27 -10.807 22.119 -36.226 217 HD22 ASN 27 HD22 ASN 27 -9.717 20.779 -36.248 218 H ASP 28 H ASP 28 -13.627 22.714 -31.593 219 HA ASP 28 HA ASP 28 -12.800 25.284 -32.671 220 HB2 ASP 28 HB2 ASP 28 -14.255 24.441 -30.170 221 HB3 ASP 28 HB3 ASP 28 -13.684 26.093 -30.397 222 H ASN 29 H ASN 29 -11.419 22.794 -30.889 223 HA ASN 29 HA ASN 29 -9.431 22.568 -29.806 224 HB2 ASN 29 HB2 ASN 29 -8.680 25.382 -30.536 225 HB3 ASN 29 HB3 ASN 29 -7.654 23.956 -30.416 226 HD21 ASN 29 HD21 ASN 29 -9.416 25.961 -32.464 227 HD22 ASN 29 HD22 ASN 29 -9.299 25.014 -33.904 228 H LYS 30 H LYS 30 -11.851 24.129 -28.685 229 HA LYS 30 HA LYS 30 -10.551 24.792 -26.167 230 HB2 LYS 30 HB2 LYS 30 -12.307 26.755 -27.653 231 HB3 LYS 30 HB3 LYS 30 -11.766 26.949 -25.991 232 HG2 LYS 30 HG2 LYS 30 -9.389 26.692 -27.047 233 HG3 LYS 30 HG3 LYS 30 -10.222 27.174 -28.527 234 HD2 LYS 30 HD2 LYS 30 -10.808 28.796 -26.134 235 HD3 LYS 30 HD3 LYS 30 -9.163 28.918 -26.761 236 HE2 LYS 30 HE2 LYS 30 -10.944 29.015 -28.965 237 HE3 LYS 30 HE3 LYS 30 -11.543 30.134 -27.742 238 HZ1 LYS 30 HZ1 LYS 30 -8.684 30.209 -28.293 239 HZ2 LYS 30 HZ2 LYS 30 -9.758 31.475 -27.964 240 HZ3 LYS 30 HZ3 LYS 30 -9.699 30.796 -29.512 241 H LEU 31 H LEU 31 -12.086 25.011 -24.388 242 HA LEU 31 HA LEU 31 -14.623 23.614 -24.935 243 HB2 LEU 31 HB2 LEU 31 -12.571 23.230 -22.825 244 HB3 LEU 31 HB3 LEU 31 -14.260 23.010 -22.374 245 HG LEU 31 HG LEU 31 -14.482 21.278 -24.104 246 HD11 LEU 31 HD11 LEU 31 -12.895 21.932 -25.732 247 HD12 LEU 31 HD12 LEU 31 -12.341 20.387 -25.087 248 HD13 LEU 31 HD13 LEU 31 -11.572 21.886 -24.566 249 HD21 LEU 31 HD21 LEU 31 -12.131 20.259 -22.705 250 HD22 LEU 31 HD22 LEU 31 -13.808 19.715 -22.655 251 HD23 LEU 31 HD23 LEU 31 -13.289 21.066 -21.646 252 H THR 32 H THR 32 -16.403 24.699 -24.427 253 HA THR 32 HA THR 32 -16.259 27.274 -23.190 254 HB THR 32 HB THR 32 -17.892 26.717 -24.990 255 HG1 THR 32 HG1 THR 32 -19.008 28.310 -24.171 256 HG21 THR 32 HG21 THR 32 -19.848 25.553 -23.166 257 HG22 THR 32 HG22 THR 32 -18.458 24.506 -23.445 258 HG23 THR 32 HG23 THR 32 -19.415 25.083 -24.810 259 H ALA 33 H ALA 33 -18.021 27.785 -21.464 260 HA ALA 33 HA ALA 33 -17.267 26.751 -19.039 261 HB1 ALA 33 HB1 ALA 33 -18.517 28.520 -18.517 262 HB2 ALA 33 HB2 ALA 33 -19.443 28.406 -20.014 263 HB3 ALA 33 HB3 ALA 33 -19.908 27.440 -18.612 264 H GLU 34 H GLU 34 -19.754 25.554 -21.224 265 HA GLU 34 HA GLU 34 -20.935 23.696 -19.464 266 HB2 GLU 34 HB2 GLU 34 -20.732 23.507 -22.472 267 HB3 GLU 34 HB3 GLU 34 -21.894 22.677 -21.448 268 HG2 GLU 34 HG2 GLU 34 -22.229 25.347 -20.809 269 HG3 GLU 34 HG3 GLU 34 -21.969 25.350 -22.553 270 H GLU 35 H GLU 35 -18.387 23.311 -21.915 271 HA GLU 35 HA GLU 35 -17.955 20.557 -21.410 272 HB2 GLU 35 HB2 GLU 35 -16.201 22.657 -22.691 273 HB3 GLU 35 HB3 GLU 35 -15.790 20.949 -22.632 274 HG2 GLU 35 HG2 GLU 35 -17.312 20.379 -24.207 275 HG3 GLU 35 HG3 GLU 35 -18.442 21.648 -23.734 276 H LEU 36 H LEU 36 -16.224 23.478 -20.354 277 HA LEU 36 HA LEU 36 -14.200 22.277 -18.894 278 HB2 LEU 36 HB2 LEU 36 -14.006 24.573 -19.217 279 HB3 LEU 36 HB3 LEU 36 -15.637 24.888 -18.629 280 HG LEU 36 HG LEU 36 -14.847 24.316 -16.335 281 HD11 LEU 36 HD11 LEU 36 -12.896 23.300 -16.070 282 HD12 LEU 36 HD12 LEU 36 -12.084 24.753 -16.654 283 HD13 LEU 36 HD13 LEU 36 -12.534 23.479 -17.786 284 HD21 LEU 36 HD21 LEU 36 -14.968 26.648 -17.284 285 HD22 LEU 36 HD22 LEU 36 -13.232 26.534 -17.572 286 HD23 LEU 36 HD23 LEU 36 -13.861 26.432 -15.928 287 H GLY 37 H GLY 37 -17.473 23.167 -17.849 288 HA2 GLY 37 HA2 GLY 37 -17.205 22.470 -15.146 289 HA3 GLY 37 HA3 GLY 37 -18.718 22.508 -16.039 290 H THR 38 H THR 38 -17.855 20.500 -17.972 291 HA THR 38 HA THR 38 -18.680 18.182 -16.529 292 HB THR 38 HB THR 38 -17.633 18.449 -19.354 293 HG1 THR 38 HG1 THR 38 -19.569 19.440 -19.334 294 HG21 THR 38 HG21 THR 38 -18.210 16.117 -17.752 295 HG22 THR 38 HG22 THR 38 -17.536 16.219 -19.377 296 HG23 THR 38 HG23 THR 38 -19.285 16.205 -19.147 297 H VAL 39 H VAL 39 -15.618 19.195 -18.014 298 HA VAL 39 HA VAL 39 -14.208 16.831 -17.260 299 HB VAL 39 HB VAL 39 -13.449 18.159 -19.152 300 HG11 VAL 39 HG11 VAL 39 -12.413 20.351 -18.835 301 HG12 VAL 39 HG12 VAL 39 -14.107 20.365 -18.341 302 HG13 VAL 39 HG13 VAL 39 -12.833 20.304 -17.123 303 HG21 VAL 39 HG21 VAL 39 -11.050 18.336 -18.550 304 HG22 VAL 39 HG22 VAL 39 -11.491 18.098 -16.859 305 HG23 VAL 39 HG23 VAL 39 -11.785 16.818 -18.036 306 H MET 40 H MET 40 -14.699 19.993 -15.819 307 HA MET 40 HA MET 40 -12.713 19.715 -13.797 308 HB2 MET 40 HB2 MET 40 -13.619 21.900 -14.549 309 HB3 MET 40 HB3 MET 40 -15.163 21.487 -13.813 310 HG2 MET 40 HG2 MET 40 -14.270 21.576 -11.640 311 HG3 MET 40 HG3 MET 40 -12.613 21.579 -12.238 312 HE1 MET 40 HE1 MET 40 -12.180 24.830 -10.869 313 HE2 MET 40 HE2 MET 40 -13.718 24.385 -10.127 314 HE3 MET 40 HE3 MET 40 -12.483 23.155 -10.402 315 H ARG 41 H ARG 41 -16.107 18.880 -14.051 316 HA ARG 41 HA ARG 41 -16.710 18.461 -11.363 317 HB2 ARG 41 HB2 ARG 41 -17.766 17.406 -13.944 318 HB3 ARG 41 HB3 ARG 41 -18.250 16.592 -12.462 319 HG2 ARG 41 HG2 ARG 41 -19.418 18.416 -11.680 320 HG3 ARG 41 HG3 ARG 41 -18.495 19.557 -12.660 321 HD2 ARG 41 HD2 ARG 41 -20.304 19.544 -13.988 322 HD3 ARG 41 HD3 ARG 41 -19.651 18.016 -14.577 323 HE ARG 41 HE ARG 41 -21.409 16.941 -13.596 324 HH11 ARG 41 HH11 ARG 41 -21.101 20.110 -12.185 325 HH12 ARG 41 HH12 ARG 41 -22.558 19.981 -11.256 326 HH21 ARG 41 HH21 ARG 41 -23.329 16.760 -12.378 327 HH22 ARG 41 HH22 ARG 41 -23.824 18.075 -11.367 328 H ALA 42 H ALA 42 -15.014 16.430 -13.667 329 HA ALA 42 HA ALA 42 -15.039 14.011 -12.276 330 HB1 ALA 42 HB1 ALA 42 -13.394 13.287 -13.734 331 HB2 ALA 42 HB2 ALA 42 -14.170 14.580 -14.649 332 HB3 ALA 42 HB3 ALA 42 -12.637 14.877 -13.831 333 H LEU 43 H LEU 43 -13.362 16.945 -11.620 334 HA LEU 43 HA LEU 43 -11.633 15.588 -9.666 335 HB2 LEU 43 HB2 LEU 43 -11.278 17.852 -11.435 336 HB3 LEU 43 HB3 LEU 43 -10.896 18.266 -9.766 337 HG LEU 43 HG LEU 43 -9.230 16.510 -9.676 338 HD11 LEU 43 HD11 LEU 43 -8.792 15.612 -12.204 339 HD12 LEU 43 HD12 LEU 43 -10.554 15.662 -12.148 340 HD13 LEU 43 HD13 LEU 43 -9.662 14.721 -10.954 341 HD21 LEU 43 HD21 LEU 43 -8.880 18.845 -10.834 342 HD22 LEU 43 HD22 LEU 43 -8.637 17.848 -12.269 343 HD23 LEU 43 HD23 LEU 43 -7.609 17.620 -10.853 344 H GLY 44 H GLY 44 -14.274 17.788 -10.030 345 HA2 GLY 44 HA2 GLY 44 -14.312 18.149 -7.098 346 HA3 GLY 44 HA3 GLY 44 -14.711 19.464 -8.193 347 H ALA 45 H ALA 45 -16.705 19.505 -9.208 348 HA ALA 45 HA ALA 45 -18.929 19.106 -9.490 349 HB1 ALA 45 HB1 ALA 45 -18.065 16.929 -10.356 350 HB2 ALA 45 HB2 ALA 45 -18.325 16.249 -8.749 351 HB3 ALA 45 HB3 ALA 45 -19.693 16.852 -9.684 352 H ASN 46 H ASN 46 -17.595 19.516 -6.744 353 HA ASN 46 HA ASN 46 -19.287 18.267 -4.832 354 HB2 ASN 46 HB2 ASN 46 -17.103 20.210 -4.822 355 HB3 ASN 46 HB3 ASN 46 -18.330 20.556 -3.607 356 HD21 ASN 46 HD21 ASN 46 -16.059 18.166 -4.779 357 HD22 ASN 46 HD22 ASN 46 -15.950 17.268 -3.307 358 HA PRO 47 HA PRO 47 -21.557 22.522 -4.647 359 HB2 PRO 47 HB2 PRO 47 -20.925 24.365 -6.537 360 HB3 PRO 47 HB3 PRO 47 -20.078 24.247 -4.991 361 HG2 PRO 47 HG2 PRO 47 -19.273 23.196 -7.675 362 HG3 PRO 47 HG3 PRO 47 -18.285 24.016 -6.452 363 HD2 PRO 47 HD2 PRO 47 -18.265 21.329 -6.778 364 HD3 PRO 47 HD3 PRO 47 -18.023 22.101 -5.198 365 H THR 48 H THR 48 -22.945 23.927 -6.395 366 HA THR 48 HA THR 48 -24.196 21.889 -8.071 367 HB THR 48 HB THR 48 -25.542 24.454 -8.096 368 HG1 THR 48 HG1 THR 48 -26.087 24.376 -5.822 369 HG21 THR 48 HG21 THR 48 -26.742 22.189 -6.659 370 HG22 THR 48 HG22 THR 48 -26.227 21.826 -8.305 371 HG23 THR 48 HG23 THR 48 -27.369 23.137 -8.007 372 H LYS 49 H LYS 49 -24.856 22.368 -10.248 373 HA LYS 49 HA LYS 49 -22.850 23.324 -11.893 374 HB2 LYS 49 HB2 LYS 49 -25.185 22.024 -12.313 375 HB3 LYS 49 HB3 LYS 49 -25.610 23.619 -12.921 376 HG2 LYS 49 HG2 LYS 49 -23.246 21.992 -13.831 377 HG3 LYS 49 HG3 LYS 49 -24.787 22.126 -14.683 378 HD2 LYS 49 HD2 LYS 49 -24.382 24.643 -14.677 379 HD3 LYS 49 HD3 LYS 49 -22.728 24.262 -14.193 380 HE2 LYS 49 HE2 LYS 49 -23.815 22.797 -16.524 381 HE3 LYS 49 HE3 LYS 49 -23.487 24.514 -16.749 382 HZ1 LYS 49 HZ1 LYS 49 -21.248 23.754 -15.551 383 HZ2 LYS 49 HZ2 LYS 49 -21.444 23.734 -17.232 384 HZ3 LYS 49 HZ3 LYS 49 -21.637 22.310 -16.341 385 H GLN 50 H GLN 50 -25.603 25.034 -10.515 386 HA GLN 50 HA GLN 50 -25.310 27.417 -12.007 387 HB2 GLN 50 HB2 GLN 50 -27.323 26.672 -10.633 388 HB3 GLN 50 HB3 GLN 50 -26.442 27.235 -9.219 389 HG2 GLN 50 HG2 GLN 50 -26.736 29.418 -9.730 390 HG3 GLN 50 HG3 GLN 50 -26.696 29.131 -11.469 391 HE21 GLN 50 HE21 GLN 50 -28.597 30.282 -9.190 392 HE22 GLN 50 HE22 GLN 50 -30.152 29.802 -9.770 393 H LYS 51 H LYS 51 -23.925 26.291 -8.975 394 HA LYS 51 HA LYS 51 -22.753 28.762 -8.217 395 HB2 LYS 51 HB2 LYS 51 -21.714 26.041 -7.451 396 HB3 LYS 51 HB3 LYS 51 -21.612 27.539 -6.536 397 HG2 LYS 51 HG2 LYS 51 -24.164 27.447 -6.446 398 HG3 LYS 51 HG3 LYS 51 -23.991 25.771 -6.972 399 HD2 LYS 51 HD2 LYS 51 -23.826 25.310 -4.782 400 HD3 LYS 51 HD3 LYS 51 -22.174 25.914 -4.938 401 HE2 LYS 51 HE2 LYS 51 -23.183 27.004 -3.067 402 HE3 LYS 51 HE3 LYS 51 -23.034 28.187 -4.365 403 HZ1 LYS 51 HZ1 LYS 51 -25.261 28.319 -4.626 404 HZ2 LYS 51 HZ2 LYS 51 -25.262 27.845 -3.001 405 HZ3 LYS 51 HZ3 LYS 51 -25.537 26.702 -4.217 406 H ILE 52 H ILE 52 -21.409 25.866 -9.792 407 HA ILE 52 HA ILE 52 -18.811 26.895 -10.142 408 HB ILE 52 HB ILE 52 -19.268 24.509 -10.321 409 HG12 ILE 52 HG12 ILE 52 -18.254 25.653 -12.933 410 HG13 ILE 52 HG13 ILE 52 -17.295 25.449 -11.472 411 HG21 ILE 52 HG21 ILE 52 -20.705 25.170 -12.887 412 HG22 ILE 52 HG22 ILE 52 -20.421 23.559 -12.232 413 HG23 ILE 52 HG23 ILE 52 -21.479 24.684 -11.380 414 HD11 ILE 52 HD11 ILE 52 -16.789 23.391 -12.082 415 HD12 ILE 52 HD12 ILE 52 -18.499 22.958 -12.107 416 HD13 ILE 52 HD13 ILE 52 -17.730 23.605 -13.557 417 H SER 53 H SER 53 -21.719 27.083 -12.108 418 HA SER 53 HA SER 53 -20.532 28.081 -14.460 419 HB2 SER 53 HB2 SER 53 -22.760 28.696 -15.139 420 HB3 SER 53 HB3 SER 53 -22.867 27.169 -14.266 421 HG SER 53 HG SER 53 -24.238 29.292 -13.764 422 H GLU 54 H GLU 54 -21.596 29.629 -11.502 423 HA GLU 54 HA GLU 54 -21.422 32.300 -12.498 424 HB2 GLU 54 HB2 GLU 54 -22.612 31.248 -10.344 425 HB3 GLU 54 HB3 GLU 54 -21.110 31.766 -9.590 426 HG2 GLU 54 HG2 GLU 54 -22.208 33.692 -9.300 427 HG3 GLU 54 HG3 GLU 54 -21.750 33.988 -10.976 428 H ILE 55 H ILE 55 -19.207 30.068 -10.977 429 HA ILE 55 HA ILE 55 -17.194 32.019 -10.393 430 HB ILE 55 HB ILE 55 -16.970 29.013 -10.595 431 HG12 ILE 55 HG12 ILE 55 -18.545 29.809 -8.858 432 HG13 ILE 55 HG13 ILE 55 -17.126 29.031 -8.165 433 HG21 ILE 55 HG21 ILE 55 -15.024 31.147 -9.952 434 HG22 ILE 55 HG22 ILE 55 -14.984 29.698 -8.949 435 HG23 ILE 55 HG23 ILE 55 -14.774 29.567 -10.695 436 HD11 ILE 55 HD11 ILE 55 -16.657 31.840 -8.432 437 HD12 ILE 55 HD12 ILE 55 -18.166 31.557 -7.566 438 HD13 ILE 55 HD13 ILE 55 -16.665 30.837 -6.981 439 H VAL 56 H VAL 56 -17.725 29.658 -12.978 440 HA VAL 56 HA VAL 56 -15.293 30.211 -14.348 441 HB VAL 56 HB VAL 56 -16.468 28.101 -14.689 442 HG11 VAL 56 HG11 VAL 56 -18.558 27.951 -15.864 443 HG12 VAL 56 HG12 VAL 56 -18.762 29.036 -14.487 444 HG13 VAL 56 HG13 VAL 56 -18.592 29.696 -16.115 445 HG21 VAL 56 HG21 VAL 56 -15.000 28.802 -16.456 446 HG22 VAL 56 HG22 VAL 56 -16.431 28.065 -17.178 447 HG23 VAL 56 HG23 VAL 56 -16.258 29.820 -17.158 448 H LYS 57 H LYS 57 -18.599 31.412 -14.624 449 HA LYS 57 HA LYS 57 -18.100 32.966 -16.972 450 HB2 LYS 57 HB2 LYS 57 -20.313 33.749 -16.749 451 HB3 LYS 57 HB3 LYS 57 -20.354 32.092 -16.161 452 HG2 LYS 57 HG2 LYS 57 -21.416 32.928 -14.392 453 HG3 LYS 57 HG3 LYS 57 -19.832 33.512 -13.878 454 HD2 LYS 57 HD2 LYS 57 -20.241 35.670 -14.672 455 HD3 LYS 57 HD3 LYS 57 -21.559 35.136 -15.718 456 HE2 LYS 57 HE2 LYS 57 -22.242 34.439 -13.062 457 HE3 LYS 57 HE3 LYS 57 -21.674 36.108 -13.039 458 HZ1 LYS 57 HZ1 LYS 57 -23.329 35.855 -15.249 459 HZ2 LYS 57 HZ2 LYS 57 -23.641 36.706 -13.820 460 HZ3 LYS 57 HZ3 LYS 57 -24.135 35.096 -13.970 461 H ASP 58 H ASP 58 -17.596 33.425 -13.602 462 HA ASP 58 HA ASP 58 -17.363 36.322 -13.869 463 HB2 ASP 58 HB2 ASP 58 -18.479 35.292 -11.874 464 HB3 ASP 58 HB3 ASP 58 -16.918 34.619 -11.412 465 H TYR 59 H TYR 59 -15.402 33.472 -13.675 466 HA TYR 59 HA TYR 59 -12.968 34.969 -13.147 467 HB2 TYR 59 HB2 TYR 59 -13.493 32.623 -12.245 468 HB3 TYR 59 HB3 TYR 59 -13.128 32.048 -13.868 469 HD1 TYR 59 HD1 TYR 59 -10.843 32.231 -14.766 470 HD2 TYR 59 HD2 TYR 59 -11.751 33.355 -10.764 471 HE1 TYR 59 HE1 TYR 59 -8.447 32.177 -14.214 472 HE2 TYR 59 HE2 TYR 59 -9.357 33.306 -10.201 473 HH TYR 59 HH TYR 59 -6.903 32.964 -12.632 474 H ASP 60 H ASP 60 -14.612 33.407 -15.815 475 HA ASP 60 HA ASP 60 -12.378 34.023 -17.609 476 HB2 ASP 60 HB2 ASP 60 -14.886 32.395 -18.077 477 HB3 ASP 60 HB3 ASP 60 -13.606 32.645 -19.261 478 H LYS 61 H LYS 61 -13.385 36.320 -16.853 479 HA LYS 61 HA LYS 61 -15.289 37.136 -18.947 480 HB2 LYS 61 HB2 LYS 61 -15.976 38.941 -17.540 481 HB3 LYS 61 HB3 LYS 61 -15.980 37.483 -16.556 482 HG2 LYS 61 HG2 LYS 61 -13.639 38.197 -15.814 483 HG3 LYS 61 HG3 LYS 61 -14.044 39.769 -16.510 484 HD2 LYS 61 HD2 LYS 61 -15.748 40.149 -14.971 485 HD3 LYS 61 HD3 LYS 61 -15.895 38.437 -14.566 486 HE2 LYS 61 HE2 LYS 61 -13.647 38.547 -13.522 487 HE3 LYS 61 HE3 LYS 61 -13.626 40.282 -13.831 488 HZ1 LYS 61 HZ1 LYS 61 -14.398 40.196 -11.689 489 HZ2 LYS 61 HZ2 LYS 61 -15.259 38.757 -11.923 490 HZ3 LYS 61 HZ3 LYS 61 -15.860 40.212 -12.541 491 H ASP 62 H ASP 62 -12.070 37.241 -18.072 492 HA ASP 62 HA ASP 62 -11.519 39.861 -19.201 493 HB2 ASP 62 HB2 ASP 62 -9.331 39.615 -18.414 494 HB3 ASP 62 HB3 ASP 62 -10.288 38.759 -17.207 495 H ASN 63 H ASN 63 -12.407 37.150 -20.593 496 HA ASN 63 HA ASN 63 -10.947 37.720 -23.032 497 HB2 ASN 63 HB2 ASN 63 -9.496 36.078 -21.929 498 HB3 ASN 63 HB3 ASN 63 -10.856 34.973 -21.764 499 HD21 ASN 63 HD21 ASN 63 -10.531 33.344 -23.093 500 HD22 ASN 63 HD22 ASN 63 -10.062 33.464 -24.752 501 H SER 64 H SER 64 -12.869 34.975 -21.814 502 HA SER 64 HA SER 64 -15.287 35.687 -23.021 503 HB2 SER 64 HB2 SER 64 -13.511 35.053 -24.986 504 HB3 SER 64 HB3 SER 64 -14.244 33.479 -24.680 505 HG SER 64 HG SER 64 -15.624 35.884 -25.290 506 H GLY 65 H GLY 65 -16.405 33.294 -23.699 507 HA2 GLY 65 HA2 GLY 65 -16.293 31.878 -21.134 508 HA3 GLY 65 HA3 GLY 65 -17.607 31.801 -22.299 509 H LYS 66 H LYS 66 -14.236 31.453 -23.182 510 HA LYS 66 HA LYS 66 -14.731 28.597 -23.718 511 HB2 LYS 66 HB2 LYS 66 -13.461 30.721 -25.389 512 HB3 LYS 66 HB3 LYS 66 -12.861 29.074 -25.528 513 HG2 LYS 66 HG2 LYS 66 -14.456 29.228 -27.206 514 HG3 LYS 66 HG3 LYS 66 -15.314 28.421 -25.892 515 HD2 LYS 66 HD2 LYS 66 -15.722 31.119 -25.404 516 HD3 LYS 66 HD3 LYS 66 -15.838 30.980 -27.160 517 HE2 LYS 66 HE2 LYS 66 -17.314 29.160 -25.272 518 HE3 LYS 66 HE3 LYS 66 -17.991 30.677 -25.862 519 HZ1 LYS 66 HZ1 LYS 66 -18.790 29.243 -27.417 520 HZ2 LYS 66 HZ2 LYS 66 -17.474 28.184 -27.307 521 HZ3 LYS 66 HZ3 LYS 66 -17.322 29.636 -28.160 522 H PHE 67 H PHE 67 -12.876 27.196 -23.614 523 HA PHE 67 HA PHE 67 -10.741 28.245 -21.876 524 HB2 PHE 67 HB2 PHE 67 -12.552 26.410 -21.091 525 HB3 PHE 67 HB3 PHE 67 -11.344 25.344 -21.802 526 HD1 PHE 67 HD1 PHE 67 -11.299 28.397 -19.650 527 HD2 PHE 67 HD2 PHE 67 -9.916 24.421 -20.277 528 HE1 PHE 67 HE1 PHE 67 -9.967 28.539 -17.587 529 HE2 PHE 67 HE2 PHE 67 -8.582 24.556 -18.214 530 HZ PHE 67 HZ PHE 67 -8.605 26.618 -16.867 531 H ASP 68 H ASP 68 -8.669 27.839 -22.431 532 HA ASP 68 HA ASP 68 -8.234 26.261 -24.880 533 HB2 ASP 68 HB2 ASP 68 -7.634 28.509 -25.337 534 HB3 ASP 68 HB3 ASP 68 -6.811 28.685 -23.789 535 H GLN 69 H GLN 69 -6.750 24.650 -24.894 536 HA GLN 69 HA GLN 69 -6.066 23.291 -22.614 537 HB2 GLN 69 HB2 GLN 69 -4.369 23.329 -25.109 538 HB3 GLN 69 HB3 GLN 69 -4.514 22.024 -23.940 539 HG2 GLN 69 HG2 GLN 69 -6.191 21.149 -25.078 540 HG3 GLN 69 HG3 GLN 69 -7.107 22.649 -24.932 541 HE21 GLN 69 HE21 GLN 69 -4.153 21.745 -26.679 542 HE22 GLN 69 HE22 GLN 69 -4.705 22.269 -28.229 543 H GLU 70 H GLU 70 -4.117 25.697 -24.345 544 HA GLU 70 HA GLU 70 -1.778 25.533 -22.874 545 HB2 GLU 70 HB2 GLU 70 -2.703 27.143 -24.890 546 HB3 GLU 70 HB3 GLU 70 -2.574 28.278 -23.553 547 HG2 GLU 70 HG2 GLU 70 -0.214 26.772 -23.511 548 HG3 GLU 70 HG3 GLU 70 -0.515 27.166 -25.202 549 H THR 71 H THR 71 -4.774 27.228 -22.130 550 HA THR 71 HA THR 71 -3.855 28.701 -19.917 551 HB THR 71 HB THR 71 -6.637 27.639 -20.447 552 HG1 THR 71 HG1 THR 71 -5.669 30.266 -20.914 553 HG21 THR 71 HG21 THR 71 -6.829 28.290 -18.261 554 HG22 THR 71 HG22 THR 71 -7.090 29.845 -19.048 555 HG23 THR 71 HG23 THR 71 -5.508 29.451 -18.376 556 H PHE 72 H PHE 72 -5.407 25.509 -20.110 557 HA PHE 72 HA PHE 72 -5.403 25.026 -17.324 558 HB2 PHE 72 HB2 PHE 72 -6.801 23.826 -19.054 559 HB3 PHE 72 HB3 PHE 72 -5.351 22.931 -19.500 560 HD1 PHE 72 HD1 PHE 72 -7.211 23.832 -16.389 561 HD2 PHE 72 HD2 PHE 72 -5.131 20.844 -18.594 562 HE1 PHE 72 HE1 PHE 72 -7.678 22.198 -14.610 563 HE2 PHE 72 HE2 PHE 72 -5.596 19.205 -16.819 564 HZ PHE 72 HZ PHE 72 -6.871 19.882 -14.822 565 H LEU 73 H LEU 73 -3.135 24.206 -19.908 566 HA LEU 73 HA LEU 73 -1.404 22.617 -18.344 567 HB2 LEU 73 HB2 LEU 73 -1.379 23.859 -20.994 568 HB3 LEU 73 HB3 LEU 73 0.217 23.699 -20.263 569 HG LEU 73 HG LEU 73 -1.087 21.214 -19.943 570 HD11 LEU 73 HD11 LEU 73 -1.465 22.445 -22.655 571 HD12 LEU 73 HD12 LEU 73 -2.650 21.621 -21.643 572 HD13 LEU 73 HD13 LEU 73 -1.364 20.699 -22.422 573 HD21 LEU 73 HD21 LEU 73 0.925 21.669 -22.085 574 HD22 LEU 73 HD22 LEU 73 0.838 20.399 -20.864 575 HD23 LEU 73 HD23 LEU 73 1.383 22.016 -20.416 576 H THR 74 H THR 74 -1.614 26.071 -18.912 577 HA THR 74 HA THR 74 0.903 26.720 -17.736 578 HB THR 74 HB THR 74 -1.524 28.465 -18.201 579 HG1 THR 74 HG1 THR 74 0.756 27.803 -19.741 580 HG21 THR 74 HG21 THR 74 -0.037 29.396 -16.487 581 HG22 THR 74 HG22 THR 74 0.019 30.349 -17.969 582 HG23 THR 74 HG23 THR 74 1.333 29.235 -17.587 583 H ILE 75 H ILE 75 -2.418 26.550 -16.554 584 HA ILE 75 HA ILE 75 -1.911 27.676 -14.005 585 HB ILE 75 HB ILE 75 -4.104 25.780 -14.855 586 HG12 ILE 75 HG12 ILE 75 -4.517 28.699 -14.399 587 HG13 ILE 75 HG13 ILE 75 -3.729 28.201 -15.892 588 HG21 ILE 75 HG21 ILE 75 -3.663 27.369 -12.349 589 HG22 ILE 75 HG22 ILE 75 -5.279 26.894 -12.869 590 HG23 ILE 75 HG23 ILE 75 -4.067 25.661 -12.523 591 HD11 ILE 75 HD11 ILE 75 -5.643 26.806 -16.445 592 HD12 ILE 75 HD12 ILE 75 -6.430 27.278 -14.939 593 HD13 ILE 75 HD13 ILE 75 -6.125 28.482 -16.191 594 H MET 76 H MET 76 -2.155 24.308 -15.123 595 HA MET 76 HA MET 76 -1.613 23.154 -12.592 596 HB2 MET 76 HB2 MET 76 -1.182 21.077 -13.901 597 HB3 MET 76 HB3 MET 76 -2.720 21.843 -14.276 598 HG2 MET 76 HG2 MET 76 -2.099 21.558 -16.399 599 HG3 MET 76 HG3 MET 76 -1.104 22.987 -16.124 600 HE1 MET 76 HE1 MET 76 -1.421 20.117 -17.685 601 HE2 MET 76 HE2 MET 76 0.219 19.706 -18.185 602 HE3 MET 76 HE3 MET 76 -0.538 18.837 -16.851 603 H LEU 77 H LEU 77 0.398 24.385 -15.146 604 HA LEU 77 HA LEU 77 2.805 23.098 -14.270 605 HB2 LEU 77 HB2 LEU 77 2.092 25.178 -16.274 606 HB3 LEU 77 HB3 LEU 77 3.770 25.064 -15.750 607 HG LEU 77 HG LEU 77 2.199 22.793 -16.964 608 HD11 LEU 77 HD11 LEU 77 3.047 25.025 -18.288 609 HD12 LEU 77 HD12 LEU 77 2.819 23.433 -19.014 610 HD13 LEU 77 HD13 LEU 77 4.421 23.936 -18.478 611 HD21 LEU 77 HD21 LEU 77 4.398 22.635 -15.387 612 HD22 LEU 77 HD22 LEU 77 5.137 22.799 -16.980 613 HD23 LEU 77 HD23 LEU 77 4.002 21.485 -16.665 614 H GLU 78 H GLU 78 1.306 26.255 -13.793 615 HA GLU 78 HA GLU 78 3.523 27.369 -12.374 616 HB2 GLU 78 HB2 GLU 78 1.781 28.706 -13.585 617 HB3 GLU 78 HB3 GLU 78 0.641 28.273 -12.319 618 HG2 GLU 78 HG2 GLU 78 1.291 30.126 -11.289 619 HG3 GLU 78 HG3 GLU 78 2.785 29.269 -10.915 620 H TYR 79 H TYR 79 0.745 25.469 -11.518 621 HA TYR 79 HA TYR 79 0.948 26.021 -8.692 622 HB2 TYR 79 HB2 TYR 79 -0.911 24.646 -10.462 623 HB3 TYR 79 HB3 TYR 79 -0.609 23.737 -8.985 624 HD1 TYR 79 HD1 TYR 79 -0.936 24.941 -6.757 625 HD2 TYR 79 HD2 TYR 79 -2.372 26.477 -10.456 626 HE1 TYR 79 HE1 TYR 79 -2.509 26.388 -5.540 627 HE2 TYR 79 HE2 TYR 79 -3.947 27.930 -9.248 628 HH TYR 79 HH TYR 79 -5.096 27.894 -6.958 629 H GLY 80 H GLY 80 2.191 23.694 -10.944 630 HA2 GLY 80 HA2 GLY 80 3.992 22.645 -8.975 631 HA3 GLY 80 HA3 GLY 80 2.742 21.490 -9.413 632 H GLN 81 H GLN 81 5.509 23.304 -10.555 633 HA GLN 81 HA GLN 81 5.465 21.941 -13.127 634 HB2 GLN 81 HB2 GLN 81 6.244 24.446 -12.444 635 HB3 GLN 81 HB3 GLN 81 7.792 23.613 -12.405 636 HG2 GLN 81 HG2 GLN 81 7.328 22.793 -14.711 637 HG3 GLN 81 HG3 GLN 81 5.894 23.818 -14.729 638 HE21 GLN 81 HE21 GLN 81 8.436 23.819 -16.303 639 HE22 GLN 81 HE22 GLN 81 9.034 25.434 -16.168 640 H GLU 82 H GLU 82 7.091 21.803 -10.061 641 HA GLU 82 HA GLU 82 8.634 20.376 -9.189 642 HB2 GLU 82 HB2 GLU 82 6.956 18.839 -10.846 643 HB3 GLU 82 HB3 GLU 82 8.594 18.298 -11.188 644 HG2 GLU 82 HG2 GLU 82 8.931 17.522 -9.052 645 HG3 GLU 82 HG3 GLU 82 7.711 18.587 -8.357 646 H VAL 83 H VAL 83 10.584 18.825 -10.014 647 HA VAL 83 HA VAL 83 12.173 20.556 -11.782 648 HB VAL 83 HB VAL 83 13.143 18.507 -9.785 649 HG11 VAL 83 HG11 VAL 83 14.940 18.626 -11.159 650 HG12 VAL 83 HG12 VAL 83 14.481 20.203 -11.804 651 HG13 VAL 83 HG13 VAL 83 15.257 20.087 -10.224 652 HG21 VAL 83 HG21 VAL 83 12.120 21.084 -9.333 653 HG22 VAL 83 HG22 VAL 83 12.983 20.050 -8.195 654 HG23 VAL 83 HG23 VAL 83 13.871 21.214 -9.178 655 H ASP 84 H ASP 84 10.991 17.314 -11.331 656 HA ASP 84 HA ASP 84 12.686 16.044 -13.228 657 HB2 ASP 84 HB2 ASP 84 10.283 15.324 -11.668 658 HB3 ASP 84 HB3 ASP 84 10.484 14.454 -13.186 659 H SER 85 H SER 85 9.686 17.807 -13.438 660 HA SER 85 HA SER 85 9.927 18.064 -16.272 661 HB2 SER 85 HB2 SER 85 8.922 15.969 -16.530 662 HB3 SER 85 HB3 SER 85 7.877 16.189 -15.127 663 HG SER 85 HG SER 85 7.638 17.824 -17.415 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -1.460 0.120 -11.125 2 HA MET 1 HA MET 1 -3.273 -1.508 -10.834 3 HB2 MET 1 HB2 MET 1 -2.654 -3.879 -10.601 4 HB3 MET 1 HB3 MET 1 -2.235 -3.244 -12.186 5 HG2 MET 1 HG2 MET 1 -0.027 -3.514 -11.864 6 HG3 MET 1 HG3 MET 1 -0.116 -3.093 -10.155 7 HE1 MET 1 HE1 MET 1 0.294 -4.627 -8.399 8 HE2 MET 1 HE2 MET 1 0.694 -6.328 -8.639 9 HE3 MET 1 HE3 MET 1 1.638 -5.076 -9.449 10 H SER 2 H SER 2 -1.657 0.248 -9.230 11 HA SER 2 HA SER 2 -2.262 -0.810 -6.655 12 HB2 SER 2 HB2 SER 2 0.569 -0.859 -7.619 13 HB3 SER 2 HB3 SER 2 0.258 -0.456 -5.931 14 HG SER 2 HG SER 2 -0.262 -2.845 -7.318 15 H GLU 3 H GLU 3 -0.051 1.509 -8.224 16 HA GLU 3 HA GLU 3 -1.502 3.726 -7.071 17 HB2 GLU 3 HB2 GLU 3 0.410 4.693 -5.908 18 HB3 GLU 3 HB3 GLU 3 0.017 3.114 -5.241 19 HG2 GLU 3 HG2 GLU 3 1.865 2.497 -7.162 20 HG3 GLU 3 HG3 GLU 3 2.445 4.047 -6.555 21 H GLN 4 H GLN 4 -1.465 5.423 -8.412 22 HA GLN 4 HA GLN 4 0.782 5.799 -10.231 23 HB2 GLN 4 HB2 GLN 4 -2.075 5.490 -11.168 24 HB3 GLN 4 HB3 GLN 4 -0.747 6.053 -12.173 25 HG2 GLN 4 HG2 GLN 4 -0.877 3.835 -12.749 26 HG3 GLN 4 HG3 GLN 4 0.376 3.816 -11.508 27 HE21 GLN 4 HE21 GLN 4 -3.174 3.865 -11.450 28 HE22 GLN 4 HE22 GLN 4 -3.345 2.490 -10.420 29 H LYS 5 H LYS 5 1.019 7.909 -10.983 30 HA LYS 5 HA LYS 5 -0.709 9.888 -9.650 31 HB2 LYS 5 HB2 LYS 5 1.784 9.698 -9.019 32 HB3 LYS 5 HB3 LYS 5 2.098 10.430 -10.587 33 HG2 LYS 5 HG2 LYS 5 1.736 12.442 -9.748 34 HG3 LYS 5 HG3 LYS 5 0.110 11.968 -9.250 35 HD2 LYS 5 HD2 LYS 5 2.509 11.210 -7.617 36 HD3 LYS 5 HD3 LYS 5 1.763 12.801 -7.451 37 HE2 LYS 5 HE2 LYS 5 0.075 10.339 -7.314 38 HE3 LYS 5 HE3 LYS 5 1.016 10.834 -5.908 39 HZ1 LYS 5 HZ1 LYS 5 -1.454 11.803 -6.717 40 HZ2 LYS 5 HZ2 LYS 5 -0.350 13.060 -6.973 41 HZ3 LYS 5 HZ3 LYS 5 -0.496 12.362 -5.439 42 H LYS 6 H LYS 6 -2.071 10.811 -11.024 43 HA LYS 6 HA LYS 6 -1.249 11.183 -13.819 44 HB2 LYS 6 HB2 LYS 6 -3.716 11.603 -14.186 45 HB3 LYS 6 HB3 LYS 6 -3.286 9.970 -13.694 46 HG2 LYS 6 HG2 LYS 6 -3.833 11.615 -11.395 47 HG3 LYS 6 HG3 LYS 6 -5.184 11.644 -12.531 48 HD2 LYS 6 HD2 LYS 6 -4.025 8.985 -12.080 49 HD3 LYS 6 HD3 LYS 6 -4.766 9.713 -10.654 50 HE2 LYS 6 HE2 LYS 6 -6.125 9.489 -13.334 51 HE3 LYS 6 HE3 LYS 6 -6.308 8.309 -12.038 52 HZ1 LYS 6 HZ1 LYS 6 -8.119 9.882 -12.007 53 HZ2 LYS 6 HZ2 LYS 6 -7.043 11.183 -11.900 54 HZ3 LYS 6 HZ3 LYS 6 -7.172 10.085 -10.620 55 H VAL 7 H VAL 7 -0.039 12.945 -12.181 56 HA VAL 7 HA VAL 7 -1.303 15.459 -12.961 57 HB VAL 7 HB VAL 7 -0.729 16.452 -10.717 58 HG11 VAL 7 HG11 VAL 7 -2.780 15.724 -9.667 59 HG12 VAL 7 HG12 VAL 7 -3.030 15.871 -11.408 60 HG13 VAL 7 HG13 VAL 7 -2.820 14.279 -10.677 61 HG21 VAL 7 HG21 VAL 7 0.532 14.050 -10.286 62 HG22 VAL 7 HG22 VAL 7 0.136 15.243 -9.047 63 HG23 VAL 7 HG23 VAL 7 -0.952 13.886 -9.347 64 H LEU 8 H LEU 8 0.126 16.975 -13.616 65 HA LEU 8 HA LEU 8 2.094 17.866 -14.331 66 HB2 LEU 8 HB2 LEU 8 2.265 17.494 -11.572 67 HB3 LEU 8 HB3 LEU 8 3.796 16.896 -12.207 68 HG LEU 8 HG LEU 8 4.088 19.181 -11.587 69 HD11 LEU 8 HD11 LEU 8 4.942 20.080 -13.586 70 HD12 LEU 8 HD12 LEU 8 3.758 19.225 -14.573 71 HD13 LEU 8 HD13 LEU 8 5.048 18.329 -13.773 72 HD21 LEU 8 HD21 LEU 8 1.982 20.137 -11.475 73 HD22 LEU 8 HD22 LEU 8 1.534 19.588 -13.091 74 HD23 LEU 8 HD23 LEU 8 2.678 20.917 -12.897 75 H THR 9 H THR 9 1.446 15.041 -14.983 76 HA THR 9 HA THR 9 4.148 14.249 -15.817 77 HB THR 9 HB THR 9 2.828 11.829 -15.524 78 HG1 THR 9 HG1 THR 9 1.312 12.325 -14.096 79 HG21 THR 9 HG21 THR 9 4.951 11.571 -14.848 80 HG22 THR 9 HG22 THR 9 4.363 12.031 -13.251 81 HG23 THR 9 HG23 THR 9 5.076 13.246 -14.312 82 H ALA 10 H ALA 10 3.999 12.468 -17.538 83 HA ALA 10 HA ALA 10 2.729 13.425 -19.791 84 HB1 ALA 10 HB1 ALA 10 4.564 11.816 -19.861 85 HB2 ALA 10 HB2 ALA 10 3.498 10.563 -19.225 86 HB3 ALA 10 HB3 ALA 10 3.191 11.258 -20.817 87 H GLU 11 H GLU 11 1.557 11.086 -17.424 88 HA GLU 11 HA GLU 11 -0.696 10.163 -18.774 89 HB2 GLU 11 HB2 GLU 11 -0.445 10.635 -15.800 90 HB3 GLU 11 HB3 GLU 11 -1.575 9.547 -16.592 91 HG2 GLU 11 HG2 GLU 11 0.391 8.275 -17.465 92 HG3 GLU 11 HG3 GLU 11 1.416 9.285 -16.445 93 H GLU 12 H GLU 12 -0.248 13.053 -16.796 94 HA GLU 12 HA GLU 12 -2.983 13.845 -16.847 95 HB2 GLU 12 HB2 GLU 12 -1.619 14.695 -15.086 96 HB3 GLU 12 HB3 GLU 12 -0.433 15.328 -16.219 97 HG2 GLU 12 HG2 GLU 12 -1.594 17.211 -16.590 98 HG3 GLU 12 HG3 GLU 12 -3.152 16.388 -16.542 99 H GLN 13 H GLN 13 -0.130 14.745 -18.747 100 HA GLN 13 HA GLN 13 -1.249 16.781 -20.272 101 HB2 GLN 13 HB2 GLN 13 1.175 16.097 -20.195 102 HB3 GLN 13 HB3 GLN 13 0.767 14.769 -21.273 103 HG2 GLN 13 HG2 GLN 13 -0.288 16.937 -22.572 104 HG3 GLN 13 HG3 GLN 13 1.180 17.592 -21.848 105 HE21 GLN 13 HE21 GLN 13 2.661 17.671 -23.380 106 HE22 GLN 13 HE22 GLN 13 3.062 16.391 -24.469 107 H GLN 14 H GLN 14 -1.016 13.315 -21.068 108 HA GLN 14 HA GLN 14 -2.514 13.520 -23.462 109 HB2 GLN 14 HB2 GLN 14 -2.658 11.047 -23.316 110 HB3 GLN 14 HB3 GLN 14 -1.019 11.655 -23.126 111 HG2 GLN 14 HG2 GLN 14 -1.031 10.164 -21.428 112 HG3 GLN 14 HG3 GLN 14 -1.684 11.555 -20.563 113 HE21 GLN 14 HE21 GLN 14 -2.146 9.119 -19.550 114 HE22 GLN 14 HE22 GLN 14 -3.797 8.661 -19.770 115 H GLU 15 H GLU 15 -3.375 12.697 -20.135 116 HA GLU 15 HA GLU 15 -5.987 11.848 -20.522 117 HB2 GLU 15 HB2 GLU 15 -4.492 13.076 -18.268 118 HB3 GLU 15 HB3 GLU 15 -6.247 13.073 -18.155 119 HG2 GLU 15 HG2 GLU 15 -5.157 10.501 -18.964 120 HG3 GLU 15 HG3 GLU 15 -4.571 11.041 -17.391 121 H TYR 16 H TYR 16 -4.720 15.131 -20.190 122 HA TYR 16 HA TYR 16 -7.303 16.365 -20.285 123 HB2 TYR 16 HB2 TYR 16 -5.487 17.493 -19.143 124 HB3 TYR 16 HB3 TYR 16 -4.524 17.509 -20.616 125 HD1 TYR 16 HD1 TYR 16 -7.960 18.573 -19.570 126 HD2 TYR 16 HD2 TYR 16 -4.395 19.543 -21.681 127 HE1 TYR 16 HE1 TYR 16 -8.911 20.763 -20.159 128 HE2 TYR 16 HE2 TYR 16 -5.335 21.736 -22.274 129 HH TYR 16 HH TYR 16 -8.454 22.485 -22.178 130 H LYS 17 H LYS 17 -4.644 15.934 -22.591 131 HA LYS 17 HA LYS 17 -5.611 17.369 -24.736 132 HB2 LYS 17 HB2 LYS 17 -4.084 14.762 -24.715 133 HB3 LYS 17 HB3 LYS 17 -4.358 15.720 -26.165 134 HG2 LYS 17 HG2 LYS 17 -3.232 17.268 -23.969 135 HG3 LYS 17 HG3 LYS 17 -2.205 15.927 -24.482 136 HD2 LYS 17 HD2 LYS 17 -3.407 17.582 -26.622 137 HD3 LYS 17 HD3 LYS 17 -2.147 18.338 -25.645 138 HE2 LYS 17 HE2 LYS 17 -1.333 15.691 -26.337 139 HE3 LYS 17 HE3 LYS 17 -1.850 16.530 -27.798 140 HZ1 LYS 17 HZ1 LYS 17 0.580 16.749 -27.019 141 HZ2 LYS 17 HZ2 LYS 17 -0.034 17.856 -25.897 142 HZ3 LYS 17 HZ3 LYS 17 -0.231 18.133 -27.554 143 H GLU 18 H GLU 18 -6.291 13.973 -23.922 144 HA GLU 18 HA GLU 18 -8.122 13.635 -26.097 145 HB2 GLU 18 HB2 GLU 18 -8.448 11.443 -25.298 146 HB3 GLU 18 HB3 GLU 18 -6.767 11.810 -24.936 147 HG2 GLU 18 HG2 GLU 18 -7.357 10.914 -22.949 148 HG3 GLU 18 HG3 GLU 18 -7.828 12.583 -22.633 149 H ALA 19 H ALA 19 -8.366 14.564 -22.739 150 HA ALA 19 HA ALA 19 -11.121 14.167 -22.361 151 HB1 ALA 19 HB1 ALA 19 -9.670 14.556 -20.483 152 HB2 ALA 19 HB2 ALA 19 -9.253 16.161 -21.086 153 HB3 ALA 19 HB3 ALA 19 -10.894 15.824 -20.532 154 H PHE 20 H PHE 20 -9.336 17.095 -23.330 155 HA PHE 20 HA PHE 20 -11.727 18.602 -23.784 156 HB2 PHE 20 HB2 PHE 20 -10.348 20.390 -24.127 157 HB3 PHE 20 HB3 PHE 20 -9.204 19.344 -23.293 158 HD1 PHE 20 HD1 PHE 20 -10.212 20.711 -26.543 159 HD2 PHE 20 HD2 PHE 20 -7.346 18.369 -24.441 160 HE1 PHE 20 HE1 PHE 20 -8.699 20.832 -28.479 161 HE2 PHE 20 HE2 PHE 20 -5.827 18.487 -26.374 162 HZ PHE 20 HZ PHE 20 -6.503 19.719 -28.397 163 H GLN 21 H GLN 21 -9.569 16.669 -25.749 164 HA GLN 21 HA GLN 21 -10.500 17.544 -28.276 165 HB2 GLN 21 HB2 GLN 21 -8.395 16.429 -28.180 166 HB3 GLN 21 HB3 GLN 21 -9.098 15.028 -27.383 167 HG2 GLN 21 HG2 GLN 21 -10.362 14.521 -29.423 168 HG3 GLN 21 HG3 GLN 21 -9.606 15.901 -30.217 169 HE21 GLN 21 HE21 GLN 21 -8.798 14.437 -31.788 170 HE22 GLN 21 HE22 GLN 21 -7.405 13.470 -31.459 171 H LEU 22 H LEU 22 -11.345 14.749 -26.253 172 HA LEU 22 HA LEU 22 -13.258 13.667 -28.022 173 HB2 LEU 22 HB2 LEU 22 -12.316 12.308 -26.291 174 HB3 LEU 22 HB3 LEU 22 -12.909 13.401 -25.042 175 HG LEU 22 HG LEU 22 -15.020 12.260 -26.720 176 HD11 LEU 22 HD11 LEU 22 -13.224 10.484 -25.090 177 HD12 LEU 22 HD12 LEU 22 -13.707 10.297 -26.774 178 HD13 LEU 22 HD13 LEU 22 -14.889 10.061 -25.487 179 HD21 LEU 22 HD21 LEU 22 -14.650 12.168 -23.736 180 HD22 LEU 22 HD22 LEU 22 -16.153 12.081 -24.654 181 HD23 LEU 22 HD23 LEU 22 -15.250 13.594 -24.586 182 H PHE 23 H PHE 23 -13.434 16.117 -25.528 183 HA PHE 23 HA PHE 23 -16.322 16.248 -25.615 184 HB2 PHE 23 HB2 PHE 23 -14.400 16.974 -23.746 185 HB3 PHE 23 HB3 PHE 23 -14.989 18.515 -24.361 186 HD1 PHE 23 HD1 PHE 23 -17.340 19.143 -24.091 187 HD2 PHE 23 HD2 PHE 23 -15.785 15.549 -22.424 188 HE1 PHE 23 HE1 PHE 23 -19.317 18.964 -22.640 189 HE2 PHE 23 HE2 PHE 23 -17.761 15.365 -20.970 190 HZ PHE 23 HZ PHE 23 -19.531 17.075 -21.075 191 H ASP 24 H ASP 24 -13.732 17.547 -27.373 192 HA ASP 24 HA ASP 24 -15.471 19.657 -28.474 193 HB2 ASP 24 HB2 ASP 24 -13.245 20.275 -27.262 194 HB3 ASP 24 HB3 ASP 24 -12.482 19.709 -28.745 195 H LYS 25 H LYS 25 -16.237 17.678 -29.718 196 HA LYS 25 HA LYS 25 -14.736 16.312 -31.587 197 HB2 LYS 25 HB2 LYS 25 -16.794 15.858 -32.749 198 HB3 LYS 25 HB3 LYS 25 -17.120 15.857 -31.020 199 HG2 LYS 25 HG2 LYS 25 -17.797 18.326 -31.392 200 HG3 LYS 25 HG3 LYS 25 -17.913 17.860 -33.090 201 HD2 LYS 25 HD2 LYS 25 -19.798 16.681 -32.758 202 HD3 LYS 25 HD3 LYS 25 -19.212 15.994 -31.240 203 HE2 LYS 25 HE2 LYS 25 -19.691 18.184 -30.150 204 HE3 LYS 25 HE3 LYS 25 -20.422 18.726 -31.661 205 HZ1 LYS 25 HZ1 LYS 25 -21.324 16.411 -30.031 206 HZ2 LYS 25 HZ2 LYS 25 -22.022 16.921 -31.485 207 HZ3 LYS 25 HZ3 LYS 25 -22.090 17.917 -30.121 208 H ASP 26 H ASP 26 -15.923 19.588 -31.691 209 HA ASP 26 HA ASP 26 -15.530 20.011 -34.477 210 HB2 ASP 26 HB2 ASP 26 -16.744 21.423 -32.475 211 HB3 ASP 26 HB3 ASP 26 -15.275 22.362 -32.725 212 H ASN 27 H ASN 27 -14.039 22.282 -34.717 213 HA ASN 27 HA ASN 27 -11.337 21.321 -34.051 214 HB2 ASN 27 HB2 ASN 27 -12.399 21.886 -36.530 215 HB3 ASN 27 HB3 ASN 27 -11.529 23.367 -36.140 216 HD21 ASN 27 HD21 ASN 27 -9.786 23.229 -37.401 217 HD22 ASN 27 HD22 ASN 27 -8.646 21.931 -37.378 218 H ASP 28 H ASP 28 -13.286 23.148 -32.564 219 HA ASP 28 HA ASP 28 -12.146 25.754 -32.579 220 HB2 ASP 28 HB2 ASP 28 -13.702 24.497 -30.317 221 HB3 ASP 28 HB3 ASP 28 -13.548 26.210 -30.697 222 H ASN 29 H ASN 29 -11.385 22.787 -30.948 223 HA ASN 29 HA ASN 29 -9.707 22.183 -29.538 224 HB2 ASN 29 HB2 ASN 29 -8.277 24.757 -30.110 225 HB3 ASN 29 HB3 ASN 29 -7.610 23.143 -29.879 226 HD21 ASN 29 HD21 ASN 29 -9.055 21.644 -31.610 227 HD22 ASN 29 HD22 ASN 29 -8.764 22.159 -33.233 228 H LYS 30 H LYS 30 -11.912 24.094 -28.699 229 HA LYS 30 HA LYS 30 -10.739 24.748 -26.097 230 HB2 LYS 30 HB2 LYS 30 -12.350 26.659 -27.797 231 HB3 LYS 30 HB3 LYS 30 -11.984 26.921 -26.097 232 HG2 LYS 30 HG2 LYS 30 -9.865 27.541 -26.514 233 HG3 LYS 30 HG3 LYS 30 -9.662 26.363 -27.813 234 HD2 LYS 30 HD2 LYS 30 -9.657 28.251 -29.077 235 HD3 LYS 30 HD3 LYS 30 -11.403 27.998 -29.006 236 HE2 LYS 30 HE2 LYS 30 -11.697 29.659 -27.393 237 HE3 LYS 30 HE3 LYS 30 -9.994 29.644 -26.934 238 HZ1 LYS 30 HZ1 LYS 30 -9.896 30.343 -29.536 239 HZ2 LYS 30 HZ2 LYS 30 -9.860 31.432 -28.242 240 HZ3 LYS 30 HZ3 LYS 30 -11.319 31.106 -29.033 241 H LEU 31 H LEU 31 -12.231 24.801 -24.372 242 HA LEU 31 HA LEU 31 -14.818 23.536 -24.998 243 HB2 LEU 31 HB2 LEU 31 -12.811 23.080 -22.877 244 HB3 LEU 31 HB3 LEU 31 -14.503 22.985 -22.391 245 HG LEU 31 HG LEU 31 -14.822 21.280 -24.214 246 HD11 LEU 31 HD11 LEU 31 -11.862 21.672 -24.396 247 HD12 LEU 31 HD12 LEU 31 -13.058 21.556 -25.688 248 HD13 LEU 31 HD13 LEU 31 -12.589 20.113 -24.787 249 HD21 LEU 31 HD21 LEU 31 -12.828 19.974 -22.567 250 HD22 LEU 31 HD22 LEU 31 -14.576 19.744 -22.621 251 HD23 LEU 31 HD23 LEU 31 -13.885 21.020 -21.619 252 H THR 32 H THR 32 -16.623 24.574 -24.443 253 HA THR 32 HA THR 32 -16.485 27.200 -23.321 254 HB THR 32 HB THR 32 -18.821 27.358 -23.692 255 HG1 THR 32 HG1 THR 32 -20.148 25.594 -23.858 256 HG21 THR 32 HG21 THR 32 -18.444 25.506 -25.919 257 HG22 THR 32 HG22 THR 32 -17.098 26.624 -25.702 258 HG23 THR 32 HG23 THR 32 -18.733 27.245 -25.931 259 H ALA 33 H ALA 33 -18.201 27.765 -21.568 260 HA ALA 33 HA ALA 33 -17.360 26.823 -19.125 261 HB1 ALA 33 HB1 ALA 33 -19.664 28.376 -20.082 262 HB2 ALA 33 HB2 ALA 33 -19.884 27.587 -18.519 263 HB3 ALA 33 HB3 ALA 33 -18.540 28.702 -18.763 264 H GLU 34 H GLU 34 -19.901 25.560 -21.198 265 HA GLU 34 HA GLU 34 -21.004 23.764 -19.294 266 HB2 GLU 34 HB2 GLU 34 -21.099 23.784 -22.313 267 HB3 GLU 34 HB3 GLU 34 -22.008 22.660 -21.313 268 HG2 GLU 34 HG2 GLU 34 -23.353 24.362 -20.426 269 HG3 GLU 34 HG3 GLU 34 -22.267 25.629 -20.994 270 H GLU 35 H GLU 35 -18.702 23.325 -21.969 271 HA GLU 35 HA GLU 35 -18.273 20.569 -21.525 272 HB2 GLU 35 HB2 GLU 35 -16.408 22.573 -22.808 273 HB3 GLU 35 HB3 GLU 35 -16.323 20.826 -22.973 274 HG2 GLU 35 HG2 GLU 35 -18.455 20.801 -24.122 275 HG3 GLU 35 HG3 GLU 35 -18.612 22.544 -23.904 276 H LEU 36 H LEU 36 -16.730 23.467 -20.265 277 HA LEU 36 HA LEU 36 -14.529 22.181 -19.037 278 HB2 LEU 36 HB2 LEU 36 -14.298 24.479 -19.358 279 HB3 LEU 36 HB3 LEU 36 -15.881 24.827 -18.667 280 HG LEU 36 HG LEU 36 -14.961 24.189 -16.432 281 HD11 LEU 36 HD11 LEU 36 -12.663 23.532 -18.097 282 HD12 LEU 36 HD12 LEU 36 -13.067 23.013 -16.461 283 HD13 LEU 36 HD13 LEU 36 -12.258 24.558 -16.720 284 HD21 LEU 36 HD21 LEU 36 -13.557 26.443 -17.866 285 HD22 LEU 36 HD22 LEU 36 -13.729 26.273 -16.119 286 HD23 LEU 36 HD23 LEU 36 -15.156 26.524 -17.125 287 H GLY 37 H GLY 37 -17.750 23.086 -17.871 288 HA2 GLY 37 HA2 GLY 37 -17.400 22.425 -15.172 289 HA3 GLY 37 HA3 GLY 37 -18.937 22.416 -16.025 290 H THR 38 H THR 38 -18.051 20.394 -17.950 291 HA THR 38 HA THR 38 -18.810 18.084 -16.464 292 HB THR 38 HB THR 38 -17.728 18.232 -19.284 293 HG1 THR 38 HG1 THR 38 -19.705 19.465 -18.800 294 HG21 THR 38 HG21 THR 38 -17.714 15.993 -19.048 295 HG22 THR 38 HG22 THR 38 -19.466 16.129 -19.183 296 HG23 THR 38 HG23 THR 38 -18.708 16.044 -17.592 297 H VAL 39 H VAL 39 -15.784 19.119 -18.013 298 HA VAL 39 HA VAL 39 -14.319 16.806 -17.209 299 HB VAL 39 HB VAL 39 -13.607 18.092 -19.146 300 HG11 VAL 39 HG11 VAL 39 -14.301 20.307 -18.410 301 HG12 VAL 39 HG12 VAL 39 -13.031 20.312 -17.184 302 HG13 VAL 39 HG13 VAL 39 -12.606 20.315 -18.896 303 HG21 VAL 39 HG21 VAL 39 -11.544 17.368 -18.755 304 HG22 VAL 39 HG22 VAL 39 -11.246 18.718 -17.660 305 HG23 VAL 39 HG23 VAL 39 -11.942 17.219 -17.043 306 H MET 40 H MET 40 -14.874 19.987 -15.839 307 HA MET 40 HA MET 40 -12.844 19.869 -13.862 308 HB2 MET 40 HB2 MET 40 -13.927 21.970 -14.595 309 HB3 MET 40 HB3 MET 40 -15.424 21.445 -13.837 310 HG2 MET 40 HG2 MET 40 -14.696 21.903 -11.750 311 HG3 MET 40 HG3 MET 40 -13.025 21.484 -12.122 312 HE1 MET 40 HE1 MET 40 -11.399 23.822 -13.751 313 HE2 MET 40 HE2 MET 40 -11.286 24.474 -12.116 314 HE3 MET 40 HE3 MET 40 -11.369 22.730 -12.366 315 H ARG 41 H ARG 41 -16.166 18.762 -14.000 316 HA ARG 41 HA ARG 41 -16.694 18.346 -11.310 317 HB2 ARG 41 HB2 ARG 41 -17.603 16.983 -13.819 318 HB3 ARG 41 HB3 ARG 41 -18.077 16.334 -12.255 319 HG2 ARG 41 HG2 ARG 41 -19.434 18.104 -11.773 320 HG3 ARG 41 HG3 ARG 41 -18.502 19.229 -12.763 321 HD2 ARG 41 HD2 ARG 41 -20.020 18.982 -14.366 322 HD3 ARG 41 HD3 ARG 41 -19.496 17.306 -14.535 323 HE ARG 41 HE ARG 41 -21.907 18.256 -13.278 324 HH11 ARG 41 HH11 ARG 41 -19.626 15.639 -13.525 325 HH12 ARG 41 HH12 ARG 41 -20.747 14.436 -12.981 326 HH21 ARG 41 HH21 ARG 41 -23.394 16.682 -12.559 327 HH22 ARG 41 HH22 ARG 41 -22.891 15.031 -12.432 328 H ALA 42 H ALA 42 -14.775 16.443 -13.544 329 HA ALA 42 HA ALA 42 -14.534 14.074 -12.104 330 HB1 ALA 42 HB1 ALA 42 -12.042 14.775 -13.376 331 HB2 ALA 42 HB2 ALA 42 -13.202 13.513 -13.793 332 HB3 ALA 42 HB3 ALA 42 -13.415 15.148 -14.418 333 H LEU 43 H LEU 43 -13.173 17.193 -11.505 334 HA LEU 43 HA LEU 43 -11.323 16.096 -9.512 335 HB2 LEU 43 HB2 LEU 43 -11.485 18.623 -11.051 336 HB3 LEU 43 HB3 LEU 43 -10.798 18.709 -9.431 337 HG LEU 43 HG LEU 43 -9.096 17.066 -10.069 338 HD11 LEU 43 HD11 LEU 43 -9.006 16.879 -12.739 339 HD12 LEU 43 HD12 LEU 43 -10.753 16.931 -12.509 340 HD13 LEU 43 HD13 LEU 43 -9.796 15.682 -11.711 341 HD21 LEU 43 HD21 LEU 43 -9.347 19.488 -11.843 342 HD22 LEU 43 HD22 LEU 43 -7.888 18.507 -11.715 343 HD23 LEU 43 HD23 LEU 43 -8.498 19.365 -10.301 344 H GLY 44 H GLY 44 -14.259 17.913 -9.861 345 HA2 GLY 44 HA2 GLY 44 -14.800 17.673 -7.046 346 HA3 GLY 44 HA3 GLY 44 -14.501 19.331 -7.544 347 H ALA 45 H ALA 45 -16.655 16.597 -7.793 348 HA ALA 45 HA ALA 45 -18.588 18.189 -9.312 349 HB1 ALA 45 HB1 ALA 45 -19.296 16.271 -10.198 350 HB2 ALA 45 HB2 ALA 45 -17.885 15.521 -9.454 351 HB3 ALA 45 HB3 ALA 45 -19.438 15.503 -8.617 352 H ASN 46 H ASN 46 -17.983 18.806 -6.536 353 HA ASN 46 HA ASN 46 -20.031 17.810 -4.841 354 HB2 ASN 46 HB2 ASN 46 -17.870 19.770 -4.674 355 HB3 ASN 46 HB3 ASN 46 -19.304 20.260 -3.778 356 HD21 ASN 46 HD21 ASN 46 -20.141 18.788 -2.183 357 HD22 ASN 46 HD22 ASN 46 -19.066 17.708 -1.369 358 HA PRO 47 HA PRO 47 -22.244 22.015 -5.689 359 HB2 PRO 47 HB2 PRO 47 -21.238 23.586 -7.662 360 HB3 PRO 47 HB3 PRO 47 -20.706 23.697 -5.980 361 HG2 PRO 47 HG2 PRO 47 -19.412 22.295 -8.286 362 HG3 PRO 47 HG3 PRO 47 -18.668 23.293 -7.022 363 HD2 PRO 47 HD2 PRO 47 -18.618 20.587 -6.958 364 HD3 PRO 47 HD3 PRO 47 -18.675 21.576 -5.485 365 H THR 48 H THR 48 -23.334 23.103 -7.782 366 HA THR 48 HA THR 48 -24.098 20.839 -9.484 367 HB THR 48 HB THR 48 -25.623 23.397 -9.549 368 HG1 THR 48 HG1 THR 48 -26.034 21.514 -7.464 369 HG21 THR 48 HG21 THR 48 -26.613 21.832 -10.915 370 HG22 THR 48 HG22 THR 48 -27.476 21.534 -9.407 371 HG23 THR 48 HG23 THR 48 -26.145 20.479 -9.886 372 H LYS 49 H LYS 49 -24.760 21.449 -11.759 373 HA LYS 49 HA LYS 49 -22.546 22.490 -13.139 374 HB2 LYS 49 HB2 LYS 49 -25.380 22.060 -14.101 375 HB3 LYS 49 HB3 LYS 49 -23.997 22.363 -15.144 376 HG2 LYS 49 HG2 LYS 49 -22.966 20.283 -14.074 377 HG3 LYS 49 HG3 LYS 49 -24.593 19.945 -13.480 378 HD2 LYS 49 HD2 LYS 49 -24.166 20.556 -16.375 379 HD3 LYS 49 HD3 LYS 49 -23.794 18.945 -15.756 380 HE2 LYS 49 HE2 LYS 49 -26.186 19.165 -14.686 381 HE3 LYS 49 HE3 LYS 49 -26.417 20.346 -15.974 382 HZ1 LYS 49 HZ1 LYS 49 -26.234 17.471 -16.125 383 HZ2 LYS 49 HZ2 LYS 49 -25.315 18.280 -17.292 384 HZ3 LYS 49 HZ3 LYS 49 -26.979 18.565 -17.178 385 H GLN 50 H GLN 50 -25.577 23.947 -12.119 386 HA GLN 50 HA GLN 50 -25.292 26.347 -13.611 387 HB2 GLN 50 HB2 GLN 50 -27.427 25.431 -12.589 388 HB3 GLN 50 HB3 GLN 50 -26.837 26.022 -11.041 389 HG2 GLN 50 HG2 GLN 50 -27.677 28.013 -11.481 390 HG3 GLN 50 HG3 GLN 50 -26.628 28.145 -12.893 391 HE21 GLN 50 HE21 GLN 50 -29.780 28.048 -11.820 392 HE22 GLN 50 HE22 GLN 50 -30.569 27.760 -13.330 393 H LYS 51 H LYS 51 -24.231 25.303 -10.438 394 HA LYS 51 HA LYS 51 -23.446 27.885 -9.516 395 HB2 LYS 51 HB2 LYS 51 -22.326 25.257 -8.555 396 HB3 LYS 51 HB3 LYS 51 -22.479 26.762 -7.659 397 HG2 LYS 51 HG2 LYS 51 -25.063 26.303 -8.261 398 HG3 LYS 51 HG3 LYS 51 -24.459 24.648 -8.167 399 HD2 LYS 51 HD2 LYS 51 -23.545 26.396 -5.998 400 HD3 LYS 51 HD3 LYS 51 -25.291 26.137 -6.037 401 HE2 LYS 51 HE2 LYS 51 -24.925 23.716 -6.059 402 HE3 LYS 51 HE3 LYS 51 -23.182 23.978 -6.023 403 HZ1 LYS 51 HZ1 LYS 51 -24.404 23.494 -3.835 404 HZ2 LYS 51 HZ2 LYS 51 -24.908 25.108 -3.916 405 HZ3 LYS 51 HZ3 LYS 51 -23.258 24.739 -3.855 406 H ILE 52 H ILE 52 -21.709 25.158 -10.977 407 HA ILE 52 HA ILE 52 -19.154 26.407 -10.884 408 HB ILE 52 HB ILE 52 -19.373 23.979 -11.060 409 HG12 ILE 52 HG12 ILE 52 -18.076 24.959 -13.596 410 HG13 ILE 52 HG13 ILE 52 -17.386 25.293 -12.012 411 HG21 ILE 52 HG21 ILE 52 -21.388 23.992 -12.505 412 HG22 ILE 52 HG22 ILE 52 -20.365 24.445 -13.867 413 HG23 ILE 52 HG23 ILE 52 -20.130 22.892 -13.068 414 HD11 ILE 52 HD11 ILE 52 -16.402 23.335 -13.175 415 HD12 ILE 52 HD12 ILE 52 -17.074 22.969 -11.587 416 HD13 ILE 52 HD13 ILE 52 -17.966 22.531 -13.044 417 H SER 53 H SER 53 -21.745 26.296 -13.254 418 HA SER 53 HA SER 53 -20.301 27.379 -15.427 419 HB2 SER 53 HB2 SER 53 -22.440 27.721 -16.474 420 HB3 SER 53 HB3 SER 53 -22.524 26.207 -15.575 421 HG SER 53 HG SER 53 -24.313 27.833 -15.354 422 H GLU 54 H GLU 54 -22.020 28.828 -12.735 423 HA GLU 54 HA GLU 54 -21.965 31.492 -13.765 424 HB2 GLU 54 HB2 GLU 54 -23.502 30.484 -11.941 425 HB3 GLU 54 HB3 GLU 54 -22.166 30.810 -10.846 426 HG2 GLU 54 HG2 GLU 54 -22.646 32.975 -10.747 427 HG3 GLU 54 HG3 GLU 54 -22.807 33.103 -12.497 428 H ILE 55 H ILE 55 -19.843 29.555 -11.759 429 HA ILE 55 HA ILE 55 -18.179 31.723 -10.925 430 HB ILE 55 HB ILE 55 -17.598 28.760 -10.974 431 HG12 ILE 55 HG12 ILE 55 -18.288 30.390 -8.546 432 HG13 ILE 55 HG13 ILE 55 -19.559 29.724 -9.565 433 HG21 ILE 55 HG21 ILE 55 -16.139 31.083 -9.749 434 HG22 ILE 55 HG22 ILE 55 -15.918 29.425 -9.193 435 HG23 ILE 55 HG23 ILE 55 -15.518 29.858 -10.855 436 HD11 ILE 55 HD11 ILE 55 -19.315 28.125 -7.924 437 HD12 ILE 55 HD12 ILE 55 -18.322 27.484 -9.233 438 HD13 ILE 55 HD13 ILE 55 -17.561 28.300 -7.868 439 H VAL 56 H VAL 56 -18.183 29.477 -13.616 440 HA VAL 56 HA VAL 56 -15.546 30.029 -14.522 441 HB VAL 56 HB VAL 56 -17.922 28.963 -16.055 442 HG11 VAL 56 HG11 VAL 56 -16.239 29.886 -17.552 443 HG12 VAL 56 HG12 VAL 56 -14.986 28.939 -16.749 444 HG13 VAL 56 HG13 VAL 56 -16.263 28.126 -17.655 445 HG21 VAL 56 HG21 VAL 56 -17.444 26.898 -15.291 446 HG22 VAL 56 HG22 VAL 56 -15.705 27.187 -15.296 447 HG23 VAL 56 HG23 VAL 56 -16.692 27.775 -13.958 448 H LYS 57 H LYS 57 -18.722 31.376 -15.269 449 HA LYS 57 HA LYS 57 -17.788 33.063 -17.377 450 HB2 LYS 57 HB2 LYS 57 -20.008 34.106 -17.235 451 HB3 LYS 57 HB3 LYS 57 -20.120 32.352 -17.277 452 HG2 LYS 57 HG2 LYS 57 -20.518 32.281 -14.896 453 HG3 LYS 57 HG3 LYS 57 -20.295 34.028 -14.781 454 HD2 LYS 57 HD2 LYS 57 -22.659 33.486 -14.784 455 HD3 LYS 57 HD3 LYS 57 -22.236 34.351 -16.263 456 HE2 LYS 57 HE2 LYS 57 -21.943 31.497 -16.595 457 HE3 LYS 57 HE3 LYS 57 -23.571 31.911 -16.058 458 HZ1 LYS 57 HZ1 LYS 57 -22.195 33.144 -18.384 459 HZ2 LYS 57 HZ2 LYS 57 -23.792 33.418 -17.898 460 HZ3 LYS 57 HZ3 LYS 57 -23.337 31.901 -18.488 461 H ASP 58 H ASP 58 -18.219 33.407 -13.917 462 HA ASP 58 HA ASP 58 -17.763 36.253 -13.931 463 HB2 ASP 58 HB2 ASP 58 -19.095 34.805 -12.204 464 HB3 ASP 58 HB3 ASP 58 -17.512 34.550 -11.475 465 H TYR 59 H TYR 59 -15.852 33.369 -13.637 466 HA TYR 59 HA TYR 59 -13.537 34.752 -12.593 467 HB2 TYR 59 HB2 TYR 59 -14.107 32.352 -12.054 468 HB3 TYR 59 HB3 TYR 59 -13.668 31.948 -13.710 469 HD1 TYR 59 HD1 TYR 59 -12.112 34.123 -11.092 470 HD2 TYR 59 HD2 TYR 59 -11.646 30.844 -13.765 471 HE1 TYR 59 HE1 TYR 59 -9.759 33.906 -10.407 472 HE2 TYR 59 HE2 TYR 59 -9.293 30.618 -13.086 473 HH TYR 59 HH TYR 59 -7.522 31.977 -12.102 474 H ASP 60 H ASP 60 -14.727 33.608 -15.682 475 HA ASP 60 HA ASP 60 -12.259 34.523 -16.988 476 HB2 ASP 60 HB2 ASP 60 -14.513 32.891 -18.171 477 HB3 ASP 60 HB3 ASP 60 -12.955 33.232 -18.918 478 H LYS 61 H LYS 61 -13.123 36.740 -16.451 479 HA LYS 61 HA LYS 61 -15.079 37.622 -18.469 480 HB2 LYS 61 HB2 LYS 61 -15.620 39.470 -17.049 481 HB3 LYS 61 HB3 LYS 61 -15.660 38.015 -16.061 482 HG2 LYS 61 HG2 LYS 61 -13.211 38.649 -15.483 483 HG3 LYS 61 HG3 LYS 61 -13.683 40.251 -16.055 484 HD2 LYS 61 HD2 LYS 61 -14.916 40.660 -14.227 485 HD3 LYS 61 HD3 LYS 61 -15.619 39.042 -14.230 486 HE2 LYS 61 HE2 LYS 61 -13.355 38.251 -13.352 487 HE3 LYS 61 HE3 LYS 61 -13.013 39.952 -13.042 488 HZ1 LYS 61 HZ1 LYS 61 -15.080 38.239 -11.810 489 HZ2 LYS 61 HZ2 LYS 61 -15.206 39.926 -11.774 490 HZ3 LYS 61 HZ3 LYS 61 -13.881 39.161 -11.052 491 H ASP 62 H ASP 62 -11.817 37.709 -17.581 492 HA ASP 62 HA ASP 62 -11.249 40.240 -18.892 493 HB2 ASP 62 HB2 ASP 62 -9.075 40.056 -18.056 494 HB3 ASP 62 HB3 ASP 62 -10.046 39.284 -16.805 495 H ASN 63 H ASN 63 -12.121 37.434 -20.093 496 HA ASN 63 HA ASN 63 -10.571 37.803 -22.525 497 HB2 ASN 63 HB2 ASN 63 -10.156 35.585 -20.680 498 HB3 ASN 63 HB3 ASN 63 -10.595 35.033 -22.295 499 HD21 ASN 63 HD21 ASN 63 -9.272 35.631 -24.060 500 HD22 ASN 63 HD22 ASN 63 -7.617 36.068 -23.819 501 H SER 64 H SER 64 -12.657 35.210 -21.255 502 HA SER 64 HA SER 64 -15.005 35.980 -22.565 503 HB2 SER 64 HB2 SER 64 -13.216 35.208 -24.452 504 HB3 SER 64 HB3 SER 64 -13.981 33.660 -24.090 505 HG SER 64 HG SER 64 -15.621 35.889 -24.483 506 H GLY 65 H GLY 65 -16.211 33.614 -23.178 507 HA2 GLY 65 HA2 GLY 65 -16.151 32.246 -20.572 508 HA3 GLY 65 HA3 GLY 65 -17.529 32.299 -21.662 509 H LYS 66 H LYS 66 -14.261 31.628 -22.728 510 HA LYS 66 HA LYS 66 -15.063 28.836 -23.232 511 HB2 LYS 66 HB2 LYS 66 -14.124 30.871 -25.047 512 HB3 LYS 66 HB3 LYS 66 -13.007 29.513 -25.032 513 HG2 LYS 66 HG2 LYS 66 -14.362 28.546 -26.497 514 HG3 LYS 66 HG3 LYS 66 -15.489 28.311 -25.159 515 HD2 LYS 66 HD2 LYS 66 -15.422 30.794 -26.866 516 HD3 LYS 66 HD3 LYS 66 -16.463 29.408 -27.201 517 HE2 LYS 66 HE2 LYS 66 -17.960 30.172 -25.751 518 HE3 LYS 66 HE3 LYS 66 -16.760 30.101 -24.462 519 HZ1 LYS 66 HZ1 LYS 66 -17.797 32.332 -24.866 520 HZ2 LYS 66 HZ2 LYS 66 -16.966 32.385 -26.338 521 HZ3 LYS 66 HZ3 LYS 66 -16.106 32.312 -24.883 522 H PHE 67 H PHE 67 -13.155 27.353 -23.516 523 HA PHE 67 HA PHE 67 -10.994 28.105 -21.660 524 HB2 PHE 67 HB2 PHE 67 -12.816 26.253 -21.053 525 HB3 PHE 67 HB3 PHE 67 -11.726 25.238 -21.992 526 HD1 PHE 67 HD1 PHE 67 -11.297 27.948 -19.457 527 HD2 PHE 67 HD2 PHE 67 -10.336 23.986 -20.679 528 HE1 PHE 67 HE1 PHE 67 -9.845 27.697 -17.487 529 HE2 PHE 67 HE2 PHE 67 -8.883 23.728 -18.711 530 HZ PHE 67 HZ PHE 67 -8.637 25.583 -17.110 531 H ASP 68 H ASP 68 -8.976 27.920 -22.398 532 HA ASP 68 HA ASP 68 -8.574 26.532 -24.965 533 HB2 ASP 68 HB2 ASP 68 -8.099 28.837 -25.272 534 HB3 ASP 68 HB3 ASP 68 -7.202 28.930 -23.759 535 H GLN 69 H GLN 69 -6.996 25.018 -25.166 536 HA GLN 69 HA GLN 69 -6.171 23.508 -23.034 537 HB2 GLN 69 HB2 GLN 69 -4.518 23.859 -25.533 538 HB3 GLN 69 HB3 GLN 69 -4.612 22.440 -24.500 539 HG2 GLN 69 HG2 GLN 69 -6.230 21.624 -25.757 540 HG3 GLN 69 HG3 GLN 69 -7.232 23.028 -25.388 541 HE21 GLN 69 HE21 GLN 69 -5.822 25.023 -26.641 542 HE22 GLN 69 HE22 GLN 69 -5.850 24.764 -28.348 543 H GLU 70 H GLU 70 -4.389 26.153 -24.594 544 HA GLU 70 HA GLU 70 -2.018 25.997 -23.171 545 HB2 GLU 70 HB2 GLU 70 -2.797 27.584 -25.116 546 HB3 GLU 70 HB3 GLU 70 -3.195 28.676 -23.797 547 HG2 GLU 70 HG2 GLU 70 -0.826 28.375 -22.992 548 HG3 GLU 70 HG3 GLU 70 -0.503 27.560 -24.521 549 H THR 71 H THR 71 -5.079 27.486 -22.266 550 HA THR 71 HA THR 71 -4.194 28.823 -19.955 551 HB THR 71 HB THR 71 -6.937 27.687 -20.533 552 HG1 THR 71 HG1 THR 71 -5.663 30.142 -21.149 553 HG21 THR 71 HG21 THR 71 -5.841 29.077 -18.236 554 HG22 THR 71 HG22 THR 71 -7.410 28.297 -18.435 555 HG23 THR 71 HG23 THR 71 -7.180 29.966 -18.962 556 H PHE 72 H PHE 72 -5.661 25.607 -20.362 557 HA PHE 72 HA PHE 72 -5.564 24.916 -17.621 558 HB2 PHE 72 HB2 PHE 72 -6.968 23.821 -19.439 559 HB3 PHE 72 HB3 PHE 72 -5.507 22.966 -19.924 560 HD1 PHE 72 HD1 PHE 72 -7.664 23.583 -16.956 561 HD2 PHE 72 HD2 PHE 72 -4.991 20.937 -18.949 562 HE1 PHE 72 HE1 PHE 72 -8.122 21.854 -15.267 563 HE2 PHE 72 HE2 PHE 72 -5.445 19.204 -17.263 564 HZ PHE 72 HZ PHE 72 -7.012 19.661 -15.419 565 H LEU 73 H LEU 73 -3.337 24.405 -20.311 566 HA LEU 73 HA LEU 73 -1.530 22.726 -18.930 567 HB2 LEU 73 HB2 LEU 73 -1.592 24.200 -21.463 568 HB3 LEU 73 HB3 LEU 73 0.021 23.979 -20.788 569 HG LEU 73 HG LEU 73 -1.185 21.462 -20.640 570 HD11 LEU 73 HD11 LEU 73 -2.926 21.890 -22.121 571 HD12 LEU 73 HD12 LEU 73 -1.676 21.192 -23.150 572 HD13 LEU 73 HD13 LEU 73 -1.935 22.936 -23.139 573 HD21 LEU 73 HD21 LEU 73 0.691 22.469 -22.773 574 HD22 LEU 73 HD22 LEU 73 0.537 20.821 -22.163 575 HD23 LEU 73 HD23 LEU 73 1.188 22.088 -21.123 576 H THR 74 H THR 74 -1.852 26.205 -19.197 577 HA THR 74 HA THR 74 0.681 26.826 -18.036 578 HB THR 74 HB THR 74 -1.798 28.540 -18.295 579 HG1 THR 74 HG1 THR 74 0.558 28.667 -19.870 580 HG21 THR 74 HG21 THR 74 0.191 30.311 -18.233 581 HG22 THR 74 HG22 THR 74 0.925 29.060 -17.232 582 HG23 THR 74 HG23 THR 74 -0.624 29.764 -16.769 583 H ILE 75 H ILE 75 -2.611 26.501 -16.797 584 HA ILE 75 HA ILE 75 -2.050 27.415 -14.174 585 HB ILE 75 HB ILE 75 -4.252 25.580 -15.129 586 HG12 ILE 75 HG12 ILE 75 -4.614 28.469 -14.437 587 HG13 ILE 75 HG13 ILE 75 -3.948 28.046 -16.010 588 HG21 ILE 75 HG21 ILE 75 -5.299 26.750 -12.978 589 HG22 ILE 75 HG22 ILE 75 -4.402 25.234 -12.891 590 HG23 ILE 75 HG23 ILE 75 -3.605 26.754 -12.489 591 HD11 ILE 75 HD11 ILE 75 -6.422 28.413 -15.940 592 HD12 ILE 75 HD12 ILE 75 -5.907 26.869 -16.618 593 HD13 ILE 75 HD13 ILE 75 -6.541 26.943 -14.973 594 H MET 76 H MET 76 -2.257 24.162 -15.590 595 HA MET 76 HA MET 76 -1.666 22.794 -13.175 596 HB2 MET 76 HB2 MET 76 -1.293 20.836 -14.629 597 HB3 MET 76 HB3 MET 76 -2.800 21.663 -15.000 598 HG2 MET 76 HG2 MET 76 -2.055 21.386 -17.109 599 HG3 MET 76 HG3 MET 76 -1.228 22.901 -16.748 600 HE1 MET 76 HE1 MET 76 -1.324 19.556 -17.716 601 HE2 MET 76 HE2 MET 76 0.213 19.456 -18.574 602 HE3 MET 76 HE3 MET 76 0.038 18.702 -16.991 603 H LEU 77 H LEU 77 0.282 24.242 -15.672 604 HA LEU 77 HA LEU 77 2.719 22.927 -14.913 605 HB2 LEU 77 HB2 LEU 77 2.467 23.676 -17.176 606 HB3 LEU 77 HB3 LEU 77 2.152 25.326 -16.643 607 HG LEU 77 HG LEU 77 4.549 25.247 -15.696 608 HD11 LEU 77 HD11 LEU 77 4.475 22.804 -17.420 609 HD12 LEU 77 HD12 LEU 77 5.183 23.023 -15.820 610 HD13 LEU 77 HD13 LEU 77 5.964 23.730 -17.234 611 HD21 LEU 77 HD21 LEU 77 3.910 25.325 -18.638 612 HD22 LEU 77 HD22 LEU 77 5.475 25.791 -17.968 613 HD23 LEU 77 HD23 LEU 77 4.020 26.681 -17.515 614 H GLU 78 H GLU 78 1.163 26.004 -14.208 615 HA GLU 78 HA GLU 78 3.396 27.106 -12.804 616 HB2 GLU 78 HB2 GLU 78 1.807 28.624 -13.756 617 HB3 GLU 78 HB3 GLU 78 0.476 27.858 -12.903 618 HG2 GLU 78 HG2 GLU 78 0.912 28.933 -10.963 619 HG3 GLU 78 HG3 GLU 78 2.652 28.962 -11.241 620 H TYR 79 H TYR 79 0.677 25.103 -11.957 621 HA TYR 79 HA TYR 79 0.886 25.499 -9.128 622 HB2 TYR 79 HB2 TYR 79 -1.045 24.470 -10.753 623 HB3 TYR 79 HB3 TYR 79 -0.351 22.998 -10.083 624 HD1 TYR 79 HD1 TYR 79 -1.174 26.385 -8.715 625 HD2 TYR 79 HD2 TYR 79 -1.591 22.168 -8.333 626 HE1 TYR 79 HE1 TYR 79 -2.490 26.707 -6.663 627 HE2 TYR 79 HE2 TYR 79 -2.911 22.477 -6.280 628 HH TYR 79 HH TYR 79 -3.536 25.721 -4.972 629 H GLY 80 H GLY 80 2.358 23.384 -11.462 630 HA2 GLY 80 HA2 GLY 80 3.235 21.364 -9.674 631 HA3 GLY 80 HA3 GLY 80 3.905 21.695 -11.264 632 H GLN 81 H GLN 81 5.772 22.859 -11.453 633 HA GLN 81 HA GLN 81 7.247 23.270 -8.975 634 HB2 GLN 81 HB2 GLN 81 8.095 23.294 -11.872 635 HB3 GLN 81 HB3 GLN 81 9.185 23.647 -10.538 636 HG2 GLN 81 HG2 GLN 81 7.640 21.085 -10.655 637 HG3 GLN 81 HG3 GLN 81 9.173 21.282 -11.503 638 HE21 GLN 81 HE21 GLN 81 10.234 19.765 -10.262 639 HE22 GLN 81 HE22 GLN 81 10.650 20.038 -8.608 640 H GLU 82 H GLU 82 7.300 25.128 -12.007 641 HA GLU 82 HA GLU 82 6.218 27.500 -10.970 642 HB2 GLU 82 HB2 GLU 82 8.782 27.035 -9.991 643 HB3 GLU 82 HB3 GLU 82 9.026 28.173 -11.307 644 HG2 GLU 82 HG2 GLU 82 7.634 29.787 -10.308 645 HG3 GLU 82 HG3 GLU 82 6.986 28.622 -9.153 646 H VAL 83 H VAL 83 7.153 29.471 -12.370 647 HA VAL 83 HA VAL 83 7.817 28.608 -15.075 648 HB VAL 83 HB VAL 83 5.986 30.029 -16.032 649 HG11 VAL 83 HG11 VAL 83 5.727 27.668 -16.126 650 HG12 VAL 83 HG12 VAL 83 5.273 27.584 -14.423 651 HG13 VAL 83 HG13 VAL 83 4.184 28.333 -15.591 652 HG21 VAL 83 HG21 VAL 83 4.945 29.932 -13.201 653 HG22 VAL 83 HG22 VAL 83 5.487 31.369 -14.069 654 HG23 VAL 83 HG23 VAL 83 4.043 30.509 -14.602 655 H ASP 84 H ASP 84 7.961 30.651 -16.534 656 HA ASP 84 HA ASP 84 9.969 32.303 -15.528 657 HB2 ASP 84 HB2 ASP 84 8.458 32.059 -17.992 658 HB3 ASP 84 HB3 ASP 84 8.779 33.748 -17.605 659 H SER 85 H SER 85 6.505 32.627 -15.443 660 HA SER 85 HA SER 85 5.115 34.132 -14.454 661 HB2 SER 85 HB2 SER 85 7.059 33.678 -12.637 662 HB3 SER 85 HB3 SER 85 7.270 35.414 -12.870 663 HG SER 85 HG SER 85 5.279 35.779 -12.101 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -10.994 2.989 -12.583 2 HA MET 1 HA MET 1 -11.145 3.317 -9.663 3 HB2 MET 1 HB2 MET 1 -8.674 2.707 -9.652 4 HB3 MET 1 HB3 MET 1 -9.805 1.388 -9.919 5 HG2 MET 1 HG2 MET 1 -8.851 2.698 -12.361 6 HG3 MET 1 HG3 MET 1 -7.606 1.877 -11.421 7 HE1 MET 1 HE1 MET 1 -9.638 0.992 -14.551 8 HE2 MET 1 HE2 MET 1 -7.942 1.219 -14.123 9 HE3 MET 1 HE3 MET 1 -8.556 -0.398 -14.469 10 H SER 2 H SER 2 -11.512 5.527 -9.840 11 HA SER 2 HA SER 2 -9.183 7.144 -10.118 12 HB2 SER 2 HB2 SER 2 -10.272 8.617 -11.938 13 HB3 SER 2 HB3 SER 2 -9.499 7.117 -12.450 14 HG SER 2 HG SER 2 -11.424 7.000 -13.414 15 H GLU 3 H GLU 3 -9.400 8.572 -8.540 16 HA GLU 3 HA GLU 3 -12.074 9.686 -8.003 17 HB2 GLU 3 HB2 GLU 3 -10.082 8.487 -6.159 18 HB3 GLU 3 HB3 GLU 3 -10.919 9.925 -5.590 19 HG2 GLU 3 HG2 GLU 3 -12.246 8.213 -4.801 20 HG3 GLU 3 HG3 GLU 3 -13.065 8.683 -6.290 21 H GLN 4 H GLN 4 -8.679 10.290 -7.078 22 HA GLN 4 HA GLN 4 -8.898 13.000 -8.139 23 HB2 GLN 4 HB2 GLN 4 -8.210 12.345 -5.273 24 HB3 GLN 4 HB3 GLN 4 -7.857 13.897 -6.021 25 HG2 GLN 4 HG2 GLN 4 -10.628 12.750 -5.927 26 HG3 GLN 4 HG3 GLN 4 -9.964 13.744 -4.630 27 HE21 GLN 4 HE21 GLN 4 -11.696 15.211 -5.091 28 HE22 GLN 4 HE22 GLN 4 -11.558 16.330 -6.399 29 H LYS 5 H LYS 5 -6.935 13.933 -8.712 30 HA LYS 5 HA LYS 5 -4.664 12.063 -8.749 31 HB2 LYS 5 HB2 LYS 5 -5.565 12.778 -10.950 32 HB3 LYS 5 HB3 LYS 5 -5.185 14.445 -10.539 33 HG2 LYS 5 HG2 LYS 5 -3.033 14.204 -11.071 34 HG3 LYS 5 HG3 LYS 5 -2.912 12.641 -10.258 35 HD2 LYS 5 HD2 LYS 5 -4.414 12.813 -12.827 36 HD3 LYS 5 HD3 LYS 5 -2.650 12.840 -12.870 37 HE2 LYS 5 HE2 LYS 5 -4.189 10.740 -11.368 38 HE3 LYS 5 HE3 LYS 5 -3.788 10.568 -13.076 39 HZ1 LYS 5 HZ1 LYS 5 -1.980 10.633 -10.751 40 HZ2 LYS 5 HZ2 LYS 5 -1.406 11.060 -12.284 41 HZ3 LYS 5 HZ3 LYS 5 -2.044 9.516 -12.020 42 H LYS 6 H LYS 6 -3.274 12.479 -7.160 43 HA LYS 6 HA LYS 6 -2.775 15.269 -6.393 44 HB2 LYS 6 HB2 LYS 6 -1.875 12.795 -4.918 45 HB3 LYS 6 HB3 LYS 6 -1.943 14.445 -4.310 46 HG2 LYS 6 HG2 LYS 6 -4.548 13.839 -5.123 47 HG3 LYS 6 HG3 LYS 6 -3.960 12.404 -4.280 48 HD2 LYS 6 HD2 LYS 6 -4.984 13.836 -2.663 49 HD3 LYS 6 HD3 LYS 6 -3.238 13.895 -2.408 50 HE2 LYS 6 HE2 LYS 6 -3.636 15.933 -4.189 51 HE3 LYS 6 HE3 LYS 6 -5.100 16.005 -3.211 52 HZ1 LYS 6 HZ1 LYS 6 -2.850 17.213 -2.527 53 HZ2 LYS 6 HZ2 LYS 6 -2.589 15.723 -1.767 54 HZ3 LYS 6 HZ3 LYS 6 -3.960 16.639 -1.387 55 H VAL 7 H VAL 7 -1.667 13.938 -8.789 56 HA VAL 7 HA VAL 7 1.117 14.640 -8.315 57 HB VAL 7 HB VAL 7 0.340 11.964 -9.485 58 HG11 VAL 7 HG11 VAL 7 2.939 11.718 -9.278 59 HG12 VAL 7 HG12 VAL 7 2.225 12.508 -10.686 60 HG13 VAL 7 HG13 VAL 7 2.908 13.479 -9.381 61 HG21 VAL 7 HG21 VAL 7 0.154 11.701 -7.179 62 HG22 VAL 7 HG22 VAL 7 1.808 11.189 -7.512 63 HG23 VAL 7 HG23 VAL 7 1.498 12.792 -6.847 64 H LEU 8 H LEU 8 2.154 15.433 -10.109 65 HA LEU 8 HA LEU 8 0.476 15.757 -12.502 66 HB2 LEU 8 HB2 LEU 8 1.058 17.843 -11.434 67 HB3 LEU 8 HB3 LEU 8 2.767 17.415 -11.460 68 HG LEU 8 HG LEU 8 1.342 17.585 -14.062 69 HD11 LEU 8 HD11 LEU 8 1.964 20.065 -14.052 70 HD12 LEU 8 HD12 LEU 8 1.981 19.922 -12.295 71 HD13 LEU 8 HD13 LEU 8 0.502 19.582 -13.192 72 HD21 LEU 8 HD21 LEU 8 4.091 17.855 -12.988 73 HD22 LEU 8 HD22 LEU 8 3.674 18.818 -14.405 74 HD23 LEU 8 HD23 LEU 8 3.517 17.062 -14.456 75 H THR 9 H THR 9 0.976 14.249 -13.961 76 HA THR 9 HA THR 9 3.802 13.946 -14.706 77 HB THR 9 HB THR 9 2.913 11.466 -15.276 78 HG1 THR 9 HG1 THR 9 0.956 11.483 -14.310 79 HG21 THR 9 HG21 THR 9 4.935 12.184 -13.960 80 HG22 THR 9 HG22 THR 9 4.169 10.700 -13.396 81 HG23 THR 9 HG23 THR 9 3.907 12.214 -12.528 82 H ALA 10 H ALA 10 3.971 12.748 -16.873 83 HA ALA 10 HA ALA 10 2.803 14.238 -18.879 84 HB1 ALA 10 HB1 ALA 10 4.787 12.572 -18.944 85 HB2 ALA 10 HB2 ALA 10 3.555 11.386 -19.380 86 HB3 ALA 10 HB3 ALA 10 3.810 12.808 -20.393 87 H GLU 11 H GLU 11 1.708 11.176 -17.485 88 HA GLU 11 HA GLU 11 -0.334 10.564 -19.262 89 HB2 GLU 11 HB2 GLU 11 0.187 9.963 -16.390 90 HB3 GLU 11 HB3 GLU 11 -1.416 9.618 -17.024 91 HG2 GLU 11 HG2 GLU 11 -0.554 8.098 -18.624 92 HG3 GLU 11 HG3 GLU 11 1.105 8.602 -18.303 93 H GLU 12 H GLU 12 -0.317 12.773 -16.517 94 HA GLU 12 HA GLU 12 -3.093 13.311 -16.496 95 HB2 GLU 12 HB2 GLU 12 -1.826 13.866 -14.555 96 HB3 GLU 12 HB3 GLU 12 -0.715 14.862 -15.483 97 HG2 GLU 12 HG2 GLU 12 -2.070 16.650 -15.441 98 HG3 GLU 12 HG3 GLU 12 -3.531 15.680 -15.613 99 H GLN 13 H GLN 13 -0.354 14.930 -18.057 100 HA GLN 13 HA GLN 13 -1.763 17.102 -19.126 101 HB2 GLN 13 HB2 GLN 13 0.855 16.270 -19.129 102 HB3 GLN 13 HB3 GLN 13 0.405 16.084 -20.819 103 HG2 GLN 13 HG2 GLN 13 0.086 18.328 -21.128 104 HG3 GLN 13 HG3 GLN 13 -0.278 18.622 -19.429 105 HE21 GLN 13 HE21 GLN 13 1.722 17.872 -18.008 106 HE22 GLN 13 HE22 GLN 13 3.221 18.577 -18.499 107 H GLN 14 H GLN 14 -0.884 14.005 -20.655 108 HA GLN 14 HA GLN 14 -2.189 14.470 -23.090 109 HB2 GLN 14 HB2 GLN 14 -2.087 12.019 -23.391 110 HB3 GLN 14 HB3 GLN 14 -0.555 12.695 -22.853 111 HG2 GLN 14 HG2 GLN 14 -1.103 11.997 -20.548 112 HG3 GLN 14 HG3 GLN 14 -2.568 11.232 -21.162 113 HE21 GLN 14 HE21 GLN 14 -2.369 9.423 -22.542 114 HE22 GLN 14 HE22 GLN 14 -0.938 8.454 -22.537 115 H GLU 15 H GLU 15 -3.326 12.999 -20.083 116 HA GLU 15 HA GLU 15 -5.817 12.106 -20.999 117 HB2 GLU 15 HB2 GLU 15 -4.666 12.781 -18.335 118 HB3 GLU 15 HB3 GLU 15 -6.411 12.601 -18.455 119 HG2 GLU 15 HG2 GLU 15 -6.288 10.363 -18.949 120 HG3 GLU 15 HG3 GLU 15 -4.649 10.485 -19.588 121 H TYR 16 H TYR 16 -4.843 15.214 -19.606 122 HA TYR 16 HA TYR 16 -7.433 16.354 -19.582 123 HB2 TYR 16 HB2 TYR 16 -4.676 17.276 -19.141 124 HB3 TYR 16 HB3 TYR 16 -5.760 18.511 -19.771 125 HD1 TYR 16 HD1 TYR 16 -7.774 19.161 -18.479 126 HD2 TYR 16 HD2 TYR 16 -4.872 16.481 -16.898 127 HE1 TYR 16 HE1 TYR 16 -8.673 19.529 -16.220 128 HE2 TYR 16 HE2 TYR 16 -5.765 16.840 -14.635 129 HH TYR 16 HH TYR 16 -8.658 18.784 -14.088 130 H LYS 17 H LYS 17 -4.701 16.768 -21.830 131 HA LYS 17 HA LYS 17 -5.919 18.481 -23.639 132 HB2 LYS 17 HB2 LYS 17 -3.956 16.283 -24.315 133 HB3 LYS 17 HB3 LYS 17 -4.263 17.739 -25.253 134 HG2 LYS 17 HG2 LYS 17 -3.576 18.539 -22.626 135 HG3 LYS 17 HG3 LYS 17 -2.398 17.335 -23.154 136 HD2 LYS 17 HD2 LYS 17 -2.915 19.123 -25.316 137 HD3 LYS 17 HD3 LYS 17 -2.560 20.070 -23.871 138 HE2 LYS 17 HE2 LYS 17 -0.534 18.631 -23.540 139 HE3 LYS 17 HE3 LYS 17 -0.861 17.915 -25.118 140 HZ1 LYS 17 HZ1 LYS 17 0.559 20.227 -24.588 141 HZ2 LYS 17 HZ2 LYS 17 -0.887 20.737 -25.300 142 HZ3 LYS 17 HZ3 LYS 17 0.106 19.629 -26.105 143 H GLU 18 H GLU 18 -6.096 14.969 -23.396 144 HA GLU 18 HA GLU 18 -7.545 14.624 -25.836 145 HB2 GLU 18 HB2 GLU 18 -6.294 12.757 -25.065 146 HB3 GLU 18 HB3 GLU 18 -7.030 12.832 -23.470 147 HG2 GLU 18 HG2 GLU 18 -8.758 12.345 -25.844 148 HG3 GLU 18 HG3 GLU 18 -7.773 11.030 -25.205 149 H ALA 19 H ALA 19 -8.393 15.156 -22.486 150 HA ALA 19 HA ALA 19 -11.097 14.404 -22.587 151 HB1 ALA 19 HB1 ALA 19 -9.782 16.500 -20.862 152 HB2 ALA 19 HB2 ALA 19 -11.370 15.784 -20.584 153 HB3 ALA 19 HB3 ALA 19 -9.922 14.782 -20.489 154 H PHE 20 H PHE 20 -9.574 17.592 -23.034 155 HA PHE 20 HA PHE 20 -12.042 18.880 -23.681 156 HB2 PHE 20 HB2 PHE 20 -9.155 19.720 -23.916 157 HB3 PHE 20 HB3 PHE 20 -10.483 20.752 -24.433 158 HD1 PHE 20 HD1 PHE 20 -9.500 18.724 -21.458 159 HD2 PHE 20 HD2 PHE 20 -11.227 22.320 -22.940 160 HE1 PHE 20 HE1 PHE 20 -9.747 19.552 -19.154 161 HE2 PHE 20 HE2 PHE 20 -11.475 23.154 -20.639 162 HZ PHE 20 HZ PHE 20 -10.735 21.770 -18.742 163 H GLN 21 H GLN 21 -9.447 17.389 -25.502 164 HA GLN 21 HA GLN 21 -10.179 18.386 -28.049 165 HB2 GLN 21 HB2 GLN 21 -7.978 17.512 -27.774 166 HB3 GLN 21 HB3 GLN 21 -8.590 15.971 -27.188 167 HG2 GLN 21 HG2 GLN 21 -9.535 15.521 -29.408 168 HG3 GLN 21 HG3 GLN 21 -8.867 17.046 -29.987 169 HE21 GLN 21 HE21 GLN 21 -8.243 13.764 -29.233 170 HE22 GLN 21 HE22 GLN 21 -6.583 13.736 -29.705 171 H LEU 22 H LEU 22 -10.898 15.332 -26.381 172 HA LEU 22 HA LEU 22 -12.457 14.230 -28.466 173 HB2 LEU 22 HB2 LEU 22 -11.554 12.780 -26.810 174 HB3 LEU 22 HB3 LEU 22 -12.334 13.678 -25.511 175 HG LEU 22 HG LEU 22 -14.300 12.647 -27.347 176 HD11 LEU 22 HD11 LEU 22 -13.968 10.254 -26.812 177 HD12 LEU 22 HD12 LEU 22 -12.383 10.653 -26.151 178 HD13 LEU 22 HD13 LEU 22 -12.715 10.913 -27.863 179 HD21 LEU 22 HD21 LEU 22 -15.010 13.254 -25.211 180 HD22 LEU 22 HD22 LEU 22 -13.673 12.415 -24.425 181 HD23 LEU 22 HD23 LEU 22 -14.985 11.490 -25.157 182 H PHE 23 H PHE 23 -13.191 16.365 -25.793 183 HA PHE 23 HA PHE 23 -16.049 16.160 -26.178 184 HB2 PHE 23 HB2 PHE 23 -14.659 16.697 -23.983 185 HB3 PHE 23 HB3 PHE 23 -14.823 18.351 -24.564 186 HD1 PHE 23 HD1 PHE 23 -16.607 15.416 -23.296 187 HD2 PHE 23 HD2 PHE 23 -16.953 19.461 -24.572 188 HE1 PHE 23 HE1 PHE 23 -18.862 15.527 -22.320 189 HE2 PHE 23 HE2 PHE 23 -19.209 19.580 -23.599 190 HZ PHE 23 HZ PHE 23 -20.167 17.611 -22.471 191 H ASP 24 H ASP 24 -13.493 17.925 -27.533 192 HA ASP 24 HA ASP 24 -15.167 20.177 -28.326 193 HB2 ASP 24 HB2 ASP 24 -12.849 20.613 -27.611 194 HB3 ASP 24 HB3 ASP 24 -12.257 19.601 -28.925 195 H LYS 25 H LYS 25 -16.486 18.385 -29.464 196 HA LYS 25 HA LYS 25 -15.657 17.062 -31.739 197 HB2 LYS 25 HB2 LYS 25 -18.266 18.103 -30.766 198 HB3 LYS 25 HB3 LYS 25 -18.173 17.628 -32.457 199 HG2 LYS 25 HG2 LYS 25 -17.002 15.650 -30.684 200 HG3 LYS 25 HG3 LYS 25 -18.699 15.973 -30.322 201 HD2 LYS 25 HD2 LYS 25 -18.630 14.199 -31.916 202 HD3 LYS 25 HD3 LYS 25 -19.186 15.645 -32.761 203 HE2 LYS 25 HE2 LYS 25 -16.946 16.006 -33.644 204 HE3 LYS 25 HE3 LYS 25 -16.356 14.596 -32.764 205 HZ1 LYS 25 HZ1 LYS 25 -17.455 13.157 -34.162 206 HZ2 LYS 25 HZ2 LYS 25 -16.998 14.376 -35.242 207 HZ3 LYS 25 HZ3 LYS 25 -18.586 14.309 -34.663 208 H ASP 26 H ASP 26 -16.396 20.442 -31.307 209 HA ASP 26 HA ASP 26 -16.566 21.076 -34.089 210 HB2 ASP 26 HB2 ASP 26 -15.932 22.970 -31.820 211 HB3 ASP 26 HB3 ASP 26 -16.616 23.374 -33.393 212 H ASN 27 H ASN 27 -14.956 23.232 -34.480 213 HA ASN 27 HA ASN 27 -12.267 22.034 -34.410 214 HB2 ASN 27 HB2 ASN 27 -13.348 22.368 -36.668 215 HB3 ASN 27 HB3 ASN 27 -13.270 24.103 -36.372 216 HD21 ASN 27 HD21 ASN 27 -11.688 24.964 -37.490 217 HD22 ASN 27 HD22 ASN 27 -10.111 24.295 -37.712 218 H ASP 28 H ASP 28 -13.598 23.775 -32.386 219 HA ASP 28 HA ASP 28 -12.087 26.255 -32.548 220 HB2 ASP 28 HB2 ASP 28 -14.079 25.221 -30.524 221 HB3 ASP 28 HB3 ASP 28 -13.259 26.774 -30.386 222 H ASN 29 H ASN 29 -11.929 23.164 -31.008 223 HA ASN 29 HA ASN 29 -10.369 22.184 -29.674 224 HB2 ASN 29 HB2 ASN 29 -8.932 23.745 -31.381 225 HB3 ASN 29 HB3 ASN 29 -8.415 24.389 -29.826 226 HD21 ASN 29 HD21 ASN 29 -6.577 23.523 -29.229 227 HD22 ASN 29 HD22 ASN 29 -6.119 21.867 -29.413 228 H LYS 30 H LYS 30 -12.342 23.865 -28.495 229 HA LYS 30 HA LYS 30 -11.004 24.412 -25.964 230 HB2 LYS 30 HB2 LYS 30 -12.735 26.453 -27.371 231 HB3 LYS 30 HB3 LYS 30 -12.134 26.598 -25.725 232 HG2 LYS 30 HG2 LYS 30 -9.801 26.347 -26.799 233 HG3 LYS 30 HG3 LYS 30 -10.629 26.754 -28.304 234 HD2 LYS 30 HD2 LYS 30 -11.084 28.468 -25.909 235 HD3 LYS 30 HD3 LYS 30 -9.560 28.624 -26.785 236 HE2 LYS 30 HE2 LYS 30 -11.065 28.789 -28.884 237 HE3 LYS 30 HE3 LYS 30 -12.353 29.148 -27.735 238 HZ1 LYS 30 HZ1 LYS 30 -10.761 30.910 -26.850 239 HZ2 LYS 30 HZ2 LYS 30 -11.514 31.217 -28.333 240 HZ3 LYS 30 HZ3 LYS 30 -9.904 30.702 -28.294 241 H LEU 31 H LEU 31 -12.699 24.970 -24.243 242 HA LEU 31 HA LEU 31 -15.218 23.548 -24.772 243 HB2 LEU 31 HB2 LEU 31 -13.122 22.932 -22.817 244 HB3 LEU 31 HB3 LEU 31 -14.749 22.998 -22.142 245 HG LEU 31 HG LEU 31 -15.397 21.356 -23.991 246 HD11 LEU 31 HD11 LEU 31 -12.400 21.268 -24.186 247 HD12 LEU 31 HD12 LEU 31 -13.580 21.485 -25.478 248 HD13 LEU 31 HD13 LEU 31 -13.424 19.920 -24.681 249 HD21 LEU 31 HD21 LEU 31 -13.458 19.986 -22.242 250 HD22 LEU 31 HD22 LEU 31 -15.178 19.685 -22.492 251 HD23 LEU 31 HD23 LEU 31 -14.657 20.993 -21.429 252 H THR 32 H THR 32 -16.992 24.572 -24.085 253 HA THR 32 HA THR 32 -16.769 27.187 -22.946 254 HB THR 32 HB THR 32 -19.120 27.371 -23.193 255 HG1 THR 32 HG1 THR 32 -20.312 25.338 -23.752 256 HG21 THR 32 HG21 THR 32 -19.516 26.639 -25.488 257 HG22 THR 32 HG22 THR 32 -18.137 25.544 -25.389 258 HG23 THR 32 HG23 THR 32 -17.886 27.288 -25.316 259 H ALA 33 H ALA 33 -18.392 27.743 -21.101 260 HA ALA 33 HA ALA 33 -17.435 26.784 -18.715 261 HB1 ALA 33 HB1 ALA 33 -19.711 27.603 -17.790 262 HB2 ALA 33 HB2 ALA 33 -18.625 28.764 -18.556 263 HB3 ALA 33 HB3 ALA 33 -20.006 28.125 -19.449 264 H GLU 34 H GLU 34 -20.322 25.687 -20.469 265 HA GLU 34 HA GLU 34 -21.180 23.801 -18.574 266 HB2 GLU 34 HB2 GLU 34 -21.556 23.817 -21.574 267 HB3 GLU 34 HB3 GLU 34 -22.438 22.787 -20.456 268 HG2 GLU 34 HG2 GLU 34 -23.969 24.388 -20.392 269 HG3 GLU 34 HG3 GLU 34 -22.820 25.312 -19.425 270 H GLU 35 H GLU 35 -19.143 23.414 -21.463 271 HA GLU 35 HA GLU 35 -18.724 20.654 -21.225 272 HB2 GLU 35 HB2 GLU 35 -16.718 22.607 -22.344 273 HB3 GLU 35 HB3 GLU 35 -16.943 20.921 -22.787 274 HG2 GLU 35 HG2 GLU 35 -19.378 21.867 -23.380 275 HG3 GLU 35 HG3 GLU 35 -18.419 23.323 -23.643 276 H LEU 36 H LEU 36 -16.863 23.396 -19.965 277 HA LEU 36 HA LEU 36 -14.753 21.930 -18.848 278 HB2 LEU 36 HB2 LEU 36 -14.520 24.277 -19.099 279 HB3 LEU 36 HB3 LEU 36 -15.961 24.589 -18.132 280 HG LEU 36 HG LEU 36 -14.614 23.527 -16.199 281 HD11 LEU 36 HD11 LEU 36 -12.118 24.175 -16.603 282 HD12 LEU 36 HD12 LEU 36 -12.531 23.919 -18.297 283 HD13 LEU 36 HD13 LEU 36 -12.726 22.608 -17.134 284 HD21 LEU 36 HD21 LEU 36 -13.326 25.801 -15.999 285 HD22 LEU 36 HD22 LEU 36 -15.086 25.753 -15.904 286 HD23 LEU 36 HD23 LEU 36 -14.298 26.234 -17.407 287 H GLY 37 H GLY 37 -17.947 22.729 -17.614 288 HA2 GLY 37 HA2 GLY 37 -17.538 21.988 -14.929 289 HA3 GLY 37 HA3 GLY 37 -19.089 22.018 -15.755 290 H THR 38 H THR 38 -18.284 20.085 -17.780 291 HA THR 38 HA THR 38 -18.981 17.710 -16.365 292 HB THR 38 HB THR 38 -18.089 18.069 -19.233 293 HG1 THR 38 HG1 THR 38 -20.057 19.110 -18.786 294 HG21 THR 38 HG21 THR 38 -18.458 15.696 -17.688 295 HG22 THR 38 HG22 THR 38 -18.050 15.849 -19.396 296 HG23 THR 38 HG23 THR 38 -19.740 15.796 -18.895 297 H VAL 39 H VAL 39 -16.027 18.837 -17.979 298 HA VAL 39 HA VAL 39 -14.529 16.484 -17.372 299 HB VAL 39 HB VAL 39 -13.920 17.899 -19.268 300 HG11 VAL 39 HG11 VAL 39 -14.541 20.059 -18.243 301 HG12 VAL 39 HG12 VAL 39 -13.105 19.962 -17.223 302 HG13 VAL 39 HG13 VAL 39 -12.937 20.088 -18.974 303 HG21 VAL 39 HG21 VAL 39 -11.879 17.059 -19.023 304 HG22 VAL 39 HG22 VAL 39 -11.459 18.385 -17.939 305 HG23 VAL 39 HG23 VAL 39 -12.147 16.897 -17.288 306 H MET 40 H MET 40 -15.021 19.587 -15.813 307 HA MET 40 HA MET 40 -12.912 19.315 -13.917 308 HB2 MET 40 HB2 MET 40 -14.117 21.460 -14.641 309 HB3 MET 40 HB3 MET 40 -15.392 20.980 -13.528 310 HG2 MET 40 HG2 MET 40 -14.248 21.684 -11.764 311 HG3 MET 40 HG3 MET 40 -12.780 20.866 -12.291 312 HE1 MET 40 HE1 MET 40 -10.707 22.150 -12.665 313 HE2 MET 40 HE2 MET 40 -10.674 23.898 -12.432 314 HE3 MET 40 HE3 MET 40 -11.366 22.855 -11.189 315 H ARG 41 H ARG 41 -16.381 18.618 -13.867 316 HA ARG 41 HA ARG 41 -16.424 17.819 -11.127 317 HB2 ARG 41 HB2 ARG 41 -18.683 17.205 -11.493 318 HB3 ARG 41 HB3 ARG 41 -18.404 18.629 -12.486 319 HG2 ARG 41 HG2 ARG 41 -18.178 17.242 -14.461 320 HG3 ARG 41 HG3 ARG 41 -18.375 15.787 -13.481 321 HD2 ARG 41 HD2 ARG 41 -20.485 17.868 -13.310 322 HD3 ARG 41 HD3 ARG 41 -20.400 16.908 -14.787 323 HE ARG 41 HE ARG 41 -20.322 15.053 -12.804 324 HH11 ARG 41 HH11 ARG 41 -22.473 17.675 -13.591 325 HH12 ARG 41 HH12 ARG 41 -23.871 16.902 -12.920 326 HH21 ARG 41 HH21 ARG 41 -22.156 14.026 -11.917 327 HH22 ARG 41 HH22 ARG 41 -23.689 14.827 -11.968 328 H ALA 42 H ALA 42 -15.889 16.194 -14.176 329 HA ALA 42 HA ALA 42 -16.220 13.538 -13.273 330 HB1 ALA 42 HB1 ALA 42 -14.523 13.188 -15.298 331 HB2 ALA 42 HB2 ALA 42 -16.230 13.564 -15.542 332 HB3 ALA 42 HB3 ALA 42 -15.022 14.845 -15.644 333 H LEU 43 H LEU 43 -13.868 15.835 -12.547 334 HA LEU 43 HA LEU 43 -11.976 13.737 -11.709 335 HB2 LEU 43 HB2 LEU 43 -11.482 16.578 -12.568 336 HB3 LEU 43 HB3 LEU 43 -10.269 15.596 -11.749 337 HG LEU 43 HG LEU 43 -11.528 14.764 -14.352 338 HD11 LEU 43 HD11 LEU 43 -9.196 15.584 -15.211 339 HD12 LEU 43 HD12 LEU 43 -9.297 16.667 -13.823 340 HD13 LEU 43 HD13 LEU 43 -10.546 16.709 -15.067 341 HD21 LEU 43 HD21 LEU 43 -8.995 13.771 -14.246 342 HD22 LEU 43 HD22 LEU 43 -10.445 12.893 -13.758 343 HD23 LEU 43 HD23 LEU 43 -9.468 13.722 -12.547 344 H GLY 44 H GLY 44 -13.467 16.826 -10.844 345 HA2 GLY 44 HA2 GLY 44 -12.671 16.332 -8.042 346 HA3 GLY 44 HA3 GLY 44 -12.941 17.930 -8.723 347 H ALA 45 H ALA 45 -15.183 18.371 -9.502 348 HA ALA 45 HA ALA 45 -17.422 18.535 -9.125 349 HB1 ALA 45 HB1 ALA 45 -16.858 15.717 -9.055 350 HB2 ALA 45 HB2 ALA 45 -18.168 16.112 -7.941 351 HB3 ALA 45 HB3 ALA 45 -18.292 16.558 -9.643 352 H ASN 46 H ASN 46 -15.307 18.912 -6.950 353 HA ASN 46 HA ASN 46 -16.554 18.309 -4.469 354 HB2 ASN 46 HB2 ASN 46 -14.095 19.474 -5.356 355 HB3 ASN 46 HB3 ASN 46 -14.819 20.537 -4.152 356 HD21 ASN 46 HD21 ASN 46 -14.948 19.885 -2.050 357 HD22 ASN 46 HD22 ASN 46 -14.203 18.444 -1.454 358 HA PRO 47 HA PRO 47 -17.823 22.966 -4.426 359 HB2 PRO 47 HB2 PRO 47 -17.449 24.389 -6.708 360 HB3 PRO 47 HB3 PRO 47 -16.217 24.255 -5.447 361 HG2 PRO 47 HG2 PRO 47 -16.464 22.751 -8.025 362 HG3 PRO 47 HG3 PRO 47 -15.019 23.455 -7.273 363 HD2 PRO 47 HD2 PRO 47 -15.604 20.814 -7.118 364 HD3 PRO 47 HD3 PRO 47 -14.760 21.683 -5.820 365 H THR 48 H THR 48 -19.379 24.448 -5.957 366 HA THR 48 HA THR 48 -21.318 22.543 -7.087 367 HB THR 48 HB THR 48 -22.424 25.166 -6.580 368 HG1 THR 48 HG1 THR 48 -21.724 25.529 -4.620 369 HG21 THR 48 HG21 THR 48 -23.554 22.882 -6.839 370 HG22 THR 48 HG22 THR 48 -24.157 23.942 -5.565 371 HG23 THR 48 HG23 THR 48 -23.087 22.599 -5.162 372 H LYS 49 H LYS 49 -22.852 23.686 -8.704 373 HA LYS 49 HA LYS 49 -21.354 24.389 -10.973 374 HB2 LYS 49 HB2 LYS 49 -23.859 23.518 -10.624 375 HB3 LYS 49 HB3 LYS 49 -24.201 25.233 -10.815 376 HG2 LYS 49 HG2 LYS 49 -22.701 23.510 -12.778 377 HG3 LYS 49 HG3 LYS 49 -24.378 24.039 -12.931 378 HD2 LYS 49 HD2 LYS 49 -23.471 26.415 -12.775 379 HD3 LYS 49 HD3 LYS 49 -21.875 25.705 -13.027 380 HE2 LYS 49 HE2 LYS 49 -23.966 24.848 -14.917 381 HE3 LYS 49 HE3 LYS 49 -23.500 26.546 -15.019 382 HZ1 LYS 49 HZ1 LYS 49 -22.224 24.808 -16.401 383 HZ2 LYS 49 HZ2 LYS 49 -21.434 24.448 -14.948 384 HZ3 LYS 49 HZ3 LYS 49 -21.347 26.009 -15.594 385 H GLN 50 H GLN 50 -23.102 26.350 -8.616 386 HA GLN 50 HA GLN 50 -22.773 28.817 -9.982 387 HB2 GLN 50 HB2 GLN 50 -23.856 27.904 -7.443 388 HB3 GLN 50 HB3 GLN 50 -22.998 29.430 -7.277 389 HG2 GLN 50 HG2 GLN 50 -24.880 30.404 -7.930 390 HG3 GLN 50 HG3 GLN 50 -24.511 29.801 -9.545 391 HE21 GLN 50 HE21 GLN 50 -26.422 29.361 -6.683 392 HE22 GLN 50 HE22 GLN 50 -27.543 28.233 -7.357 393 H LYS 51 H LYS 51 -20.804 27.001 -7.747 394 HA LYS 51 HA LYS 51 -19.009 29.138 -7.125 395 HB2 LYS 51 HB2 LYS 51 -18.433 26.184 -6.906 396 HB3 LYS 51 HB3 LYS 51 -17.694 27.494 -5.995 397 HG2 LYS 51 HG2 LYS 51 -20.600 26.734 -5.803 398 HG3 LYS 51 HG3 LYS 51 -19.342 26.153 -4.710 399 HD2 LYS 51 HD2 LYS 51 -20.033 27.949 -3.500 400 HD3 LYS 51 HD3 LYS 51 -18.862 28.772 -4.533 401 HE2 LYS 51 HE2 LYS 51 -20.460 29.890 -5.666 402 HE3 LYS 51 HE3 LYS 51 -21.575 28.526 -5.646 403 HZ1 LYS 51 HZ1 LYS 51 -21.131 29.729 -3.064 404 HZ2 LYS 51 HZ2 LYS 51 -22.579 29.279 -3.814 405 HZ3 LYS 51 HZ3 LYS 51 -21.861 30.765 -4.184 406 H ILE 52 H ILE 52 -18.935 26.393 -9.367 407 HA ILE 52 HA ILE 52 -16.335 26.962 -10.376 408 HB ILE 52 HB ILE 52 -17.290 24.726 -10.566 409 HG12 ILE 52 HG12 ILE 52 -16.710 24.286 -12.909 410 HG13 ILE 52 HG13 ILE 52 -16.860 26.001 -13.277 411 HG21 ILE 52 HG21 ILE 52 -19.630 25.396 -10.887 412 HG22 ILE 52 HG22 ILE 52 -19.239 25.945 -12.516 413 HG23 ILE 52 HG23 ILE 52 -19.103 24.236 -12.106 414 HD11 ILE 52 HD11 ILE 52 -14.538 25.357 -13.060 415 HD12 ILE 52 HD12 ILE 52 -14.992 26.480 -11.778 416 HD13 ILE 52 HD13 ILE 52 -14.838 24.758 -11.428 417 H SER 53 H SER 53 -19.593 27.888 -11.310 418 HA SER 53 HA SER 53 -18.932 28.985 -13.836 419 HB2 SER 53 HB2 SER 53 -21.132 29.917 -13.837 420 HB3 SER 53 HB3 SER 53 -21.250 28.361 -13.015 421 HG SER 53 HG SER 53 -22.347 29.949 -11.840 422 H GLU 54 H GLU 54 -18.952 30.274 -10.572 423 HA GLU 54 HA GLU 54 -18.591 33.000 -11.348 424 HB2 GLU 54 HB2 GLU 54 -19.554 32.328 -9.167 425 HB3 GLU 54 HB3 GLU 54 -17.991 31.674 -8.698 426 HG2 GLU 54 HG2 GLU 54 -17.324 33.655 -7.990 427 HG3 GLU 54 HG3 GLU 54 -17.657 34.373 -9.566 428 H ILE 55 H ILE 55 -16.462 30.323 -10.604 429 HA ILE 55 HA ILE 55 -14.079 31.880 -10.405 430 HB ILE 55 HB ILE 55 -14.415 28.930 -10.957 431 HG12 ILE 55 HG12 ILE 55 -13.502 30.066 -8.348 432 HG13 ILE 55 HG13 ILE 55 -15.220 30.103 -8.727 433 HG21 ILE 55 HG21 ILE 55 -12.057 28.794 -10.145 434 HG22 ILE 55 HG22 ILE 55 -12.249 29.602 -11.699 435 HG23 ILE 55 HG23 ILE 55 -11.984 30.554 -10.239 436 HD11 ILE 55 HD11 ILE 55 -15.240 28.086 -7.776 437 HD12 ILE 55 HD12 ILE 55 -14.601 27.532 -9.325 438 HD13 ILE 55 HD13 ILE 55 -13.503 27.860 -7.983 439 H VAL 56 H VAL 56 -15.620 30.022 -12.992 440 HA VAL 56 HA VAL 56 -13.535 30.391 -14.887 441 HB VAL 56 HB VAL 56 -15.163 28.580 -15.118 442 HG11 VAL 56 HG11 VAL 56 -17.133 29.736 -14.267 443 HG12 VAL 56 HG12 VAL 56 -17.154 30.771 -15.696 444 HG13 VAL 56 HG13 VAL 56 -17.451 29.040 -15.856 445 HG21 VAL 56 HG21 VAL 56 -15.898 29.885 -17.568 446 HG22 VAL 56 HG22 VAL 56 -14.227 30.268 -17.151 447 HG23 VAL 56 HG23 VAL 56 -14.737 28.585 -17.301 448 H LYS 57 H LYS 57 -16.388 32.223 -14.011 449 HA LYS 57 HA LYS 57 -16.323 33.966 -16.272 450 HB2 LYS 57 HB2 LYS 57 -17.922 33.645 -13.854 451 HB3 LYS 57 HB3 LYS 57 -17.651 35.335 -14.259 452 HG2 LYS 57 HG2 LYS 57 -19.497 35.033 -15.506 453 HG3 LYS 57 HG3 LYS 57 -18.336 34.405 -16.677 454 HD2 LYS 57 HD2 LYS 57 -18.740 32.128 -15.592 455 HD3 LYS 57 HD3 LYS 57 -20.140 32.876 -14.822 456 HE2 LYS 57 HE2 LYS 57 -19.624 32.681 -17.787 457 HE3 LYS 57 HE3 LYS 57 -20.788 31.727 -16.869 458 HZ1 LYS 57 HZ1 LYS 57 -21.668 34.080 -16.216 459 HZ2 LYS 57 HZ2 LYS 57 -22.119 33.372 -17.685 460 HZ3 LYS 57 HZ3 LYS 57 -20.907 34.551 -17.652 461 H ASP 58 H ASP 58 -14.752 33.889 -13.182 462 HA ASP 58 HA ASP 58 -13.844 36.650 -13.426 463 HB2 ASP 58 HB2 ASP 58 -14.565 35.341 -11.232 464 HB3 ASP 58 HB3 ASP 58 -12.875 34.845 -11.256 465 H TYR 59 H TYR 59 -12.736 33.410 -13.933 466 HA TYR 59 HA TYR 59 -9.942 34.173 -14.064 467 HB2 TYR 59 HB2 TYR 59 -11.458 31.606 -14.295 468 HB3 TYR 59 HB3 TYR 59 -9.829 31.696 -14.957 469 HD1 TYR 59 HD1 TYR 59 -11.342 33.120 -11.850 470 HD2 TYR 59 HD2 TYR 59 -8.403 30.551 -13.544 471 HE1 TYR 59 HE1 TYR 59 -10.414 32.715 -9.609 472 HE2 TYR 59 HE2 TYR 59 -7.468 30.137 -11.306 473 HH TYR 59 HH TYR 59 -7.708 30.473 -9.119 474 H ASP 60 H ASP 60 -12.630 33.718 -16.202 475 HA ASP 60 HA ASP 60 -10.862 34.276 -18.492 476 HB2 ASP 60 HB2 ASP 60 -13.432 32.711 -18.690 477 HB3 ASP 60 HB3 ASP 60 -12.165 32.875 -19.903 478 H LYS 61 H LYS 61 -11.477 36.507 -17.626 479 HA LYS 61 HA LYS 61 -14.065 37.352 -18.753 480 HB2 LYS 61 HB2 LYS 61 -13.678 39.419 -17.305 481 HB3 LYS 61 HB3 LYS 61 -14.067 37.922 -16.468 482 HG2 LYS 61 HG2 LYS 61 -11.737 37.591 -15.904 483 HG3 LYS 61 HG3 LYS 61 -11.289 39.032 -16.821 484 HD2 LYS 61 HD2 LYS 61 -13.336 39.756 -14.989 485 HD3 LYS 61 HD3 LYS 61 -12.113 38.837 -14.106 486 HE2 LYS 61 HE2 LYS 61 -10.378 40.325 -14.882 487 HE3 LYS 61 HE3 LYS 61 -11.526 41.188 -15.904 488 HZ1 LYS 61 HZ1 LYS 61 -11.200 41.278 -12.991 489 HZ2 LYS 61 HZ2 LYS 61 -12.743 41.532 -13.636 490 HZ3 LYS 61 HZ3 LYS 61 -11.462 42.541 -14.084 491 H ASP 62 H ASP 62 -10.652 37.644 -18.991 492 HA ASP 62 HA ASP 62 -10.762 40.079 -20.576 493 HB2 ASP 62 HB2 ASP 62 -8.428 40.133 -20.450 494 HB3 ASP 62 HB3 ASP 62 -8.895 39.424 -18.906 495 H ASN 63 H ASN 63 -11.682 37.123 -21.258 496 HA ASN 63 HA ASN 63 -10.861 37.333 -24.056 497 HB2 ASN 63 HB2 ASN 63 -10.413 34.958 -22.268 498 HB3 ASN 63 HB3 ASN 63 -10.623 34.750 -24.004 499 HD21 ASN 63 HD21 ASN 63 -9.253 36.485 -25.259 500 HD22 ASN 63 HD22 ASN 63 -7.595 36.551 -24.778 501 H SER 64 H SER 64 -12.555 34.832 -22.183 502 HA SER 64 HA SER 64 -15.166 35.591 -22.843 503 HB2 SER 64 HB2 SER 64 -13.846 34.605 -25.079 504 HB3 SER 64 HB3 SER 64 -14.767 33.220 -24.495 505 HG SER 64 HG SER 64 -16.505 35.022 -24.342 506 H GLY 65 H GLY 65 -16.493 33.216 -23.053 507 HA2 GLY 65 HA2 GLY 65 -15.842 31.986 -20.472 508 HA3 GLY 65 HA3 GLY 65 -17.387 31.884 -21.305 509 H LYS 66 H LYS 66 -14.154 31.238 -22.595 510 HA LYS 66 HA LYS 66 -14.980 28.440 -23.013 511 HB2 LYS 66 HB2 LYS 66 -13.568 30.365 -24.821 512 HB3 LYS 66 HB3 LYS 66 -13.258 28.641 -24.979 513 HG2 LYS 66 HG2 LYS 66 -14.982 28.691 -26.402 514 HG3 LYS 66 HG3 LYS 66 -15.968 28.680 -24.938 515 HD2 LYS 66 HD2 LYS 66 -16.884 30.536 -25.821 516 HD3 LYS 66 HD3 LYS 66 -15.440 31.331 -25.190 517 HE2 LYS 66 HE2 LYS 66 -14.560 30.390 -27.596 518 HE3 LYS 66 HE3 LYS 66 -16.241 30.782 -27.957 519 HZ1 LYS 66 HZ1 LYS 66 -15.552 32.964 -26.650 520 HZ2 LYS 66 HZ2 LYS 66 -15.325 32.801 -28.319 521 HZ3 LYS 66 HZ3 LYS 66 -14.030 32.549 -27.259 522 H PHE 67 H PHE 67 -13.090 26.938 -23.303 523 HA PHE 67 HA PHE 67 -10.840 27.746 -21.581 524 HB2 PHE 67 HB2 PHE 67 -12.721 25.545 -21.276 525 HB3 PHE 67 HB3 PHE 67 -11.054 24.985 -21.312 526 HD1 PHE 67 HD1 PHE 67 -13.001 27.776 -19.775 527 HD2 PHE 67 HD2 PHE 67 -10.021 24.778 -19.283 528 HE1 PHE 67 HE1 PHE 67 -12.735 28.431 -17.418 529 HE2 PHE 67 HE2 PHE 67 -9.751 25.426 -16.926 530 HZ PHE 67 HZ PHE 67 -11.108 27.256 -15.990 531 H ASP 68 H ASP 68 -8.856 27.377 -22.362 532 HA ASP 68 HA ASP 68 -8.636 25.796 -24.838 533 HB2 ASP 68 HB2 ASP 68 -8.136 28.117 -25.266 534 HB3 ASP 68 HB3 ASP 68 -7.027 28.176 -23.899 535 H GLN 69 H GLN 69 -7.116 24.218 -24.991 536 HA GLN 69 HA GLN 69 -6.233 22.858 -22.780 537 HB2 GLN 69 HB2 GLN 69 -4.738 22.952 -25.403 538 HB3 GLN 69 HB3 GLN 69 -4.751 21.640 -24.232 539 HG2 GLN 69 HG2 GLN 69 -7.267 21.519 -24.678 540 HG3 GLN 69 HG3 GLN 69 -6.924 22.506 -26.098 541 HE21 GLN 69 HE21 GLN 69 -8.026 20.137 -26.550 542 HE22 GLN 69 HE22 GLN 69 -6.879 19.016 -27.192 543 H GLU 70 H GLU 70 -4.542 25.398 -24.569 544 HA GLU 70 HA GLU 70 -2.067 25.250 -23.302 545 HB2 GLU 70 HB2 GLU 70 -2.930 26.727 -25.298 546 HB3 GLU 70 HB3 GLU 70 -3.227 27.909 -24.032 547 HG2 GLU 70 HG2 GLU 70 -1.107 28.514 -24.093 548 HG3 GLU 70 HG3 GLU 70 -0.621 26.880 -23.645 549 H THR 71 H THR 71 -5.033 26.888 -22.329 550 HA THR 71 HA THR 71 -4.035 28.384 -20.194 551 HB THR 71 HB THR 71 -6.764 27.111 -20.477 552 HG1 THR 71 HG1 THR 71 -5.648 29.589 -21.288 553 HG21 THR 71 HG21 THR 71 -7.255 29.252 -18.989 554 HG22 THR 71 HG22 THR 71 -5.595 28.966 -18.465 555 HG23 THR 71 HG23 THR 71 -6.813 27.705 -18.268 556 H PHE 72 H PHE 72 -5.312 25.070 -20.251 557 HA PHE 72 HA PHE 72 -5.077 24.585 -17.488 558 HB2 PHE 72 HB2 PHE 72 -6.394 22.984 -18.463 559 HB3 PHE 72 HB3 PHE 72 -5.414 22.914 -19.924 560 HD1 PHE 72 HD1 PHE 72 -5.457 21.921 -16.350 561 HD2 PHE 72 HD2 PHE 72 -3.866 21.204 -20.232 562 HE1 PHE 72 HE1 PHE 72 -4.391 19.862 -15.529 563 HE2 PHE 72 HE2 PHE 72 -2.797 19.144 -19.417 564 HZ PHE 72 HZ PHE 72 -3.058 18.470 -17.063 565 H LEU 73 H LEU 73 -2.887 23.836 -20.184 566 HA LEU 73 HA LEU 73 -0.889 22.575 -18.681 567 HB2 LEU 73 HB2 LEU 73 -0.899 24.027 -21.300 568 HB3 LEU 73 HB3 LEU 73 0.608 23.426 -20.612 569 HG LEU 73 HG LEU 73 -1.320 21.316 -20.613 570 HD11 LEU 73 HD11 LEU 73 -1.358 23.059 -22.976 571 HD12 LEU 73 HD12 LEU 73 -2.544 21.885 -22.408 572 HD13 LEU 73 HD13 LEU 73 -1.129 21.343 -23.311 573 HD21 LEU 73 HD21 LEU 73 0.417 20.331 -22.177 574 HD22 LEU 73 HD22 LEU 73 0.984 20.829 -20.583 575 HD23 LEU 73 HD23 LEU 73 1.300 21.845 -21.989 576 H THR 74 H THR 74 -1.556 25.958 -19.279 577 HA THR 74 HA THR 74 0.932 26.943 -18.288 578 HB THR 74 HB THR 74 -1.721 28.369 -18.571 579 HG1 THR 74 HG1 THR 74 0.556 28.286 -20.288 580 HG21 THR 74 HG21 THR 74 -0.585 29.827 -17.223 581 HG22 THR 74 HG22 THR 74 0.052 30.331 -18.789 582 HG23 THR 74 HG23 THR 74 0.997 29.258 -17.756 583 H ILE 75 H ILE 75 -2.255 26.388 -16.873 584 HA ILE 75 HA ILE 75 -1.722 27.610 -14.377 585 HB ILE 75 HB ILE 75 -3.701 25.430 -15.048 586 HG12 ILE 75 HG12 ILE 75 -4.464 28.277 -14.597 587 HG13 ILE 75 HG13 ILE 75 -3.717 27.860 -16.135 588 HG21 ILE 75 HG21 ILE 75 -3.388 27.173 -12.617 589 HG22 ILE 75 HG22 ILE 75 -4.879 26.316 -13.003 590 HG23 ILE 75 HG23 ILE 75 -3.396 25.412 -12.700 591 HD11 ILE 75 HD11 ILE 75 -6.227 27.847 -16.083 592 HD12 ILE 75 HD12 ILE 75 -5.465 26.374 -16.684 593 HD13 ILE 75 HD13 ILE 75 -6.117 26.425 -15.046 594 H MET 76 H MET 76 -1.610 24.215 -15.436 595 HA MET 76 HA MET 76 -0.739 23.196 -12.938 596 HB2 MET 76 HB2 MET 76 -0.156 21.158 -14.243 597 HB3 MET 76 HB3 MET 76 -1.798 21.721 -14.521 598 HG2 MET 76 HG2 MET 76 -1.274 21.433 -16.675 599 HG3 MET 76 HG3 MET 76 -0.499 23.007 -16.503 600 HE1 MET 76 HE1 MET 76 0.056 19.420 -15.496 601 HE2 MET 76 HE2 MET 76 0.357 19.059 -17.196 602 HE3 MET 76 HE3 MET 76 1.685 19.011 -16.037 603 H LEU 77 H LEU 77 0.905 24.584 -15.674 604 HA LEU 77 HA LEU 77 3.515 23.646 -14.930 605 HB2 LEU 77 HB2 LEU 77 3.025 24.136 -17.243 606 HB3 LEU 77 HB3 LEU 77 2.620 25.803 -16.837 607 HG LEU 77 HG LEU 77 5.016 26.109 -16.142 608 HD11 LEU 77 HD11 LEU 77 5.127 23.307 -17.148 609 HD12 LEU 77 HD12 LEU 77 5.929 24.040 -15.759 610 HD13 LEU 77 HD13 LEU 77 6.516 24.367 -17.390 611 HD21 LEU 77 HD21 LEU 77 3.873 25.925 -18.778 612 HD22 LEU 77 HD22 LEU 77 5.598 25.564 -18.818 613 HD23 LEU 77 HD23 LEU 77 5.032 27.089 -18.136 614 H GLU 78 H GLU 78 1.627 26.575 -14.435 615 HA GLU 78 HA GLU 78 3.772 28.074 -13.284 616 HB2 GLU 78 HB2 GLU 78 1.939 29.262 -14.293 617 HB3 GLU 78 HB3 GLU 78 0.779 28.464 -13.239 618 HG2 GLU 78 HG2 GLU 78 1.167 30.741 -12.522 619 HG3 GLU 78 HG3 GLU 78 1.743 29.600 -11.308 620 H TYR 79 H TYR 79 1.367 25.862 -12.081 621 HA TYR 79 HA TYR 79 1.818 26.557 -9.310 622 HB2 TYR 79 HB2 TYR 79 -0.345 25.580 -10.489 623 HB3 TYR 79 HB3 TYR 79 0.422 24.042 -10.109 624 HD1 TYR 79 HD1 TYR 79 -0.885 27.169 -8.620 625 HD2 TYR 79 HD2 TYR 79 0.393 23.174 -7.909 626 HE1 TYR 79 HE1 TYR 79 -1.765 27.302 -6.328 627 HE2 TYR 79 HE2 TYR 79 -0.485 23.295 -5.614 628 HH TYR 79 HH TYR 79 -1.569 26.272 -4.217 629 H GLY 80 H GLY 80 3.021 24.275 -11.629 630 HA2 GLY 80 HA2 GLY 80 5.012 23.382 -9.708 631 HA3 GLY 80 HA3 GLY 80 3.939 22.133 -10.320 632 H GLN 81 H GLN 81 6.474 24.400 -11.141 633 HA GLN 81 HA GLN 81 6.661 23.892 -13.884 634 HB2 GLN 81 HB2 GLN 81 7.900 25.606 -12.282 635 HB3 GLN 81 HB3 GLN 81 9.149 24.368 -12.312 636 HG2 GLN 81 HG2 GLN 81 8.995 24.486 -14.841 637 HG3 GLN 81 HG3 GLN 81 8.046 25.953 -14.607 638 HE21 GLN 81 HE21 GLN 81 11.092 24.483 -13.539 639 HE22 GLN 81 HE22 GLN 81 12.014 25.942 -13.591 640 H GLU 82 H GLU 82 7.640 22.015 -11.143 641 HA GLU 82 HA GLU 82 9.635 20.412 -12.197 642 HB2 GLU 82 HB2 GLU 82 8.862 20.387 -9.833 643 HB3 GLU 82 HB3 GLU 82 7.422 19.517 -10.343 644 HG2 GLU 82 HG2 GLU 82 8.582 17.575 -10.779 645 HG3 GLU 82 HG3 GLU 82 10.117 18.415 -10.985 646 H VAL 83 H VAL 83 9.597 18.283 -13.097 647 HA VAL 83 HA VAL 83 8.929 16.678 -14.570 648 HB VAL 83 HB VAL 83 6.088 17.483 -13.954 649 HG11 VAL 83 HG11 VAL 83 7.381 14.996 -15.043 650 HG12 VAL 83 HG12 VAL 83 5.743 15.006 -14.386 651 HG13 VAL 83 HG13 VAL 83 6.138 16.000 -15.788 652 HG21 VAL 83 HG21 VAL 83 8.040 15.856 -12.371 653 HG22 VAL 83 HG22 VAL 83 6.916 17.099 -11.822 654 HG23 VAL 83 HG23 VAL 83 6.312 15.510 -12.291 655 H ASP 84 H ASP 84 8.243 16.422 -16.738 656 HA ASP 84 HA ASP 84 6.767 18.322 -18.188 657 HB2 ASP 84 HB2 ASP 84 9.404 19.166 -17.631 658 HB3 ASP 84 HB3 ASP 84 9.379 18.699 -19.330 659 H SER 85 H SER 85 6.989 17.990 -20.583 660 HA SER 85 HA SER 85 6.825 16.553 -22.342 661 HB2 SER 85 HB2 SER 85 9.193 14.984 -21.479 662 HB3 SER 85 HB3 SER 85 8.833 15.717 -23.042 663 HG SER 85 HG SER 85 10.360 16.664 -21.063 Start of MODEL 7 1 H1 MET 1 H1 MET 1 5.148 -4.581 -9.631 2 HA MET 1 HA MET 1 4.563 -1.911 -10.695 3 HB2 MET 1 HB2 MET 1 2.765 -3.010 -12.125 4 HB3 MET 1 HB3 MET 1 4.428 -3.211 -12.660 5 HG2 MET 1 HG2 MET 1 4.304 -5.419 -12.510 6 HG3 MET 1 HG3 MET 1 3.620 -5.343 -10.889 7 HE1 MET 1 HE1 MET 1 0.769 -7.078 -11.229 8 HE2 MET 1 HE2 MET 1 1.720 -7.848 -12.500 9 HE3 MET 1 HE3 MET 1 2.519 -7.226 -11.056 10 H SER 2 H SER 2 3.453 -0.997 -9.090 11 HA SER 2 HA SER 2 0.980 -2.225 -8.214 12 HB2 SER 2 HB2 SER 2 2.107 -1.349 -5.792 13 HB3 SER 2 HB3 SER 2 1.774 -3.013 -6.271 14 HG SER 2 HG SER 2 4.121 -1.917 -5.832 15 H GLU 3 H GLU 3 3.086 0.347 -6.931 16 HA GLU 3 HA GLU 3 0.851 2.179 -6.864 17 HB2 GLU 3 HB2 GLU 3 3.757 2.569 -6.129 18 HB3 GLU 3 HB3 GLU 3 2.483 3.750 -5.860 19 HG2 GLU 3 HG2 GLU 3 1.364 1.740 -4.577 20 HG3 GLU 3 HG3 GLU 3 3.037 1.198 -4.450 21 H GLN 4 H GLN 4 0.601 4.030 -8.073 22 HA GLN 4 HA GLN 4 2.568 4.635 -10.143 23 HB2 GLN 4 HB2 GLN 4 -0.318 3.939 -10.691 24 HB3 GLN 4 HB3 GLN 4 0.708 4.776 -11.847 25 HG2 GLN 4 HG2 GLN 4 1.496 2.131 -10.684 26 HG3 GLN 4 HG3 GLN 4 0.433 2.249 -12.085 27 HE21 GLN 4 HE21 GLN 4 1.359 2.302 -14.004 28 HE22 GLN 4 HE22 GLN 4 3.014 2.682 -14.322 29 H LYS 5 H LYS 5 2.480 6.753 -10.920 30 HA LYS 5 HA LYS 5 0.801 8.560 -9.312 31 HB2 LYS 5 HB2 LYS 5 3.359 8.669 -9.155 32 HB3 LYS 5 HB3 LYS 5 3.313 9.349 -10.776 33 HG2 LYS 5 HG2 LYS 5 2.893 11.355 -9.953 34 HG3 LYS 5 HG3 LYS 5 1.448 10.751 -9.139 35 HD2 LYS 5 HD2 LYS 5 4.185 10.337 -7.977 36 HD3 LYS 5 HD3 LYS 5 3.289 11.834 -7.706 37 HE2 LYS 5 HE2 LYS 5 1.833 9.302 -7.233 38 HE3 LYS 5 HE3 LYS 5 3.116 9.702 -6.091 39 HZ1 LYS 5 HZ1 LYS 5 1.688 11.048 -5.096 40 HZ2 LYS 5 HZ2 LYS 5 0.514 10.786 -6.285 41 HZ3 LYS 5 HZ3 LYS 5 1.654 12.020 -6.479 42 H LYS 6 H LYS 6 -0.920 9.220 -10.415 43 HA LYS 6 HA LYS 6 -0.654 9.722 -13.299 44 HB2 LYS 6 HB2 LYS 6 -3.191 9.701 -13.236 45 HB3 LYS 6 HB3 LYS 6 -2.396 8.165 -12.920 46 HG2 LYS 6 HG2 LYS 6 -3.045 9.849 -10.576 47 HG3 LYS 6 HG3 LYS 6 -4.391 9.089 -11.428 48 HD2 LYS 6 HD2 LYS 6 -2.404 7.117 -11.171 49 HD3 LYS 6 HD3 LYS 6 -2.503 7.924 -9.605 50 HE2 LYS 6 HE2 LYS 6 -5.052 7.643 -9.876 51 HE3 LYS 6 HE3 LYS 6 -4.640 6.460 -11.117 52 HZ1 LYS 6 HZ1 LYS 6 -4.549 6.206 -8.278 53 HZ2 LYS 6 HZ2 LYS 6 -3.061 5.807 -8.979 54 HZ3 LYS 6 HZ3 LYS 6 -4.468 5.005 -9.466 55 H VAL 7 H VAL 7 0.177 11.534 -11.095 56 HA VAL 7 HA VAL 7 -1.418 13.863 -11.924 57 HB VAL 7 HB VAL 7 -1.106 14.826 -9.649 58 HG11 VAL 7 HG11 VAL 7 -3.179 14.124 -9.285 59 HG12 VAL 7 HG12 VAL 7 -2.953 12.880 -10.516 60 HG13 VAL 7 HG13 VAL 7 -2.587 12.528 -8.827 61 HG21 VAL 7 HG21 VAL 7 -0.199 12.033 -8.955 62 HG22 VAL 7 HG22 VAL 7 0.801 13.486 -8.943 63 HG23 VAL 7 HG23 VAL 7 -0.531 13.323 -7.799 64 H LEU 8 H LEU 8 -0.284 15.688 -12.390 65 HA LEU 8 HA LEU 8 1.488 16.994 -12.957 66 HB2 LEU 8 HB2 LEU 8 1.849 16.251 -10.304 67 HB3 LEU 8 HB3 LEU 8 3.415 15.959 -11.059 68 HG LEU 8 HG LEU 8 3.309 18.171 -10.035 69 HD11 LEU 8 HD11 LEU 8 4.757 17.934 -11.926 70 HD12 LEU 8 HD12 LEU 8 3.950 19.497 -12.040 71 HD13 LEU 8 HD13 LEU 8 3.413 18.153 -13.046 72 HD21 LEU 8 HD21 LEU 8 1.704 19.650 -11.761 73 HD22 LEU 8 HD22 LEU 8 1.373 19.264 -10.071 74 HD23 LEU 8 HD23 LEU 8 0.738 18.231 -11.351 75 H THR 9 H THR 9 1.227 14.233 -14.030 76 HA THR 9 HA THR 9 4.015 13.904 -14.926 77 HB THR 9 HB THR 9 3.127 11.430 -15.349 78 HG1 THR 9 HG1 THR 9 1.715 12.230 -13.005 79 HG21 THR 9 HG21 THR 9 3.801 11.315 -12.644 80 HG22 THR 9 HG22 THR 9 4.625 12.748 -13.258 81 HG23 THR 9 HG23 THR 9 4.900 11.181 -14.017 82 H ALA 10 H ALA 10 4.090 12.604 -17.038 83 HA ALA 10 HA ALA 10 2.887 14.036 -19.074 84 HB1 ALA 10 HB1 ALA 10 4.534 11.684 -18.858 85 HB2 ALA 10 HB2 ALA 10 3.340 11.495 -20.142 86 HB3 ALA 10 HB3 ALA 10 4.440 12.873 -20.157 87 H GLU 11 H GLU 11 1.787 11.089 -17.475 88 HA GLU 11 HA GLU 11 -0.311 10.423 -19.196 89 HB2 GLU 11 HB2 GLU 11 0.197 9.933 -16.280 90 HB3 GLU 11 HB3 GLU 11 -1.321 9.435 -17.011 91 HG2 GLU 11 HG2 GLU 11 -0.393 7.663 -17.978 92 HG3 GLU 11 HG3 GLU 11 0.980 8.599 -18.566 93 H GLU 12 H GLU 12 -0.109 12.784 -16.614 94 HA GLU 12 HA GLU 12 -2.905 13.316 -16.466 95 HB2 GLU 12 HB2 GLU 12 -1.568 13.881 -14.572 96 HB3 GLU 12 HB3 GLU 12 -0.478 14.853 -15.550 97 HG2 GLU 12 HG2 GLU 12 -1.849 16.646 -15.554 98 HG3 GLU 12 HG3 GLU 12 -3.314 15.666 -15.543 99 H GLN 13 H GLN 13 -0.192 14.837 -18.156 100 HA GLN 13 HA GLN 13 -1.610 17.018 -19.218 101 HB2 GLN 13 HB2 GLN 13 0.994 16.257 -19.220 102 HB3 GLN 13 HB3 GLN 13 0.552 15.895 -20.883 103 HG2 GLN 13 HG2 GLN 13 0.192 18.089 -21.416 104 HG3 GLN 13 HG3 GLN 13 -0.190 18.543 -19.756 105 HE21 GLN 13 HE21 GLN 13 2.490 17.395 -21.765 106 HE22 GLN 13 HE22 GLN 13 3.715 18.309 -20.959 107 H GLN 14 H GLN 14 -0.765 13.897 -20.717 108 HA GLN 14 HA GLN 14 -2.151 14.338 -23.121 109 HB2 GLN 14 HB2 GLN 14 -2.090 11.807 -23.298 110 HB3 GLN 14 HB3 GLN 14 -0.536 12.608 -23.101 111 HG2 GLN 14 HG2 GLN 14 -0.109 11.335 -21.351 112 HG3 GLN 14 HG3 GLN 14 -1.504 12.017 -20.517 113 HE21 GLN 14 HE21 GLN 14 -3.643 11.034 -21.292 114 HE22 GLN 14 HE22 GLN 14 -3.669 9.313 -21.430 115 H GLU 15 H GLU 15 -3.155 12.913 -20.054 116 HA GLU 15 HA GLU 15 -5.642 11.913 -20.865 117 HB2 GLU 15 HB2 GLU 15 -4.424 12.702 -18.265 118 HB3 GLU 15 HB3 GLU 15 -6.170 12.494 -18.317 119 HG2 GLU 15 HG2 GLU 15 -5.898 10.221 -19.124 120 HG3 GLU 15 HG3 GLU 15 -4.147 10.423 -19.138 121 H TYR 16 H TYR 16 -4.765 15.076 -19.509 122 HA TYR 16 HA TYR 16 -7.406 16.115 -19.560 123 HB2 TYR 16 HB2 TYR 16 -4.686 17.184 -19.069 124 HB3 TYR 16 HB3 TYR 16 -5.898 18.350 -19.590 125 HD1 TYR 16 HD1 TYR 16 -8.119 18.386 -18.262 126 HD2 TYR 16 HD2 TYR 16 -4.545 16.580 -16.825 127 HE1 TYR 16 HE1 TYR 16 -8.981 18.524 -15.963 128 HE2 TYR 16 HE2 TYR 16 -5.397 16.712 -14.521 129 HH TYR 16 HH TYR 16 -7.125 18.238 -13.284 130 H LYS 17 H LYS 17 -4.614 16.511 -21.722 131 HA LYS 17 HA LYS 17 -5.690 18.290 -23.543 132 HB2 LYS 17 HB2 LYS 17 -3.789 15.988 -24.009 133 HB3 LYS 17 HB3 LYS 17 -4.134 17.231 -25.205 134 HG2 LYS 17 HG2 LYS 17 -3.414 18.469 -22.731 135 HG3 LYS 17 HG3 LYS 17 -2.194 17.273 -23.177 136 HD2 LYS 17 HD2 LYS 17 -3.103 18.925 -25.413 137 HD3 LYS 17 HD3 LYS 17 -2.325 19.842 -24.121 138 HE2 LYS 17 HE2 LYS 17 -0.565 17.873 -24.282 139 HE3 LYS 17 HE3 LYS 17 -1.206 17.755 -25.921 140 HZ1 LYS 17 HZ1 LYS 17 0.142 19.411 -26.456 141 HZ2 LYS 17 HZ2 LYS 17 0.599 19.655 -24.846 142 HZ3 LYS 17 HZ3 LYS 17 -0.765 20.441 -25.466 143 H GLU 18 H GLU 18 -5.942 14.749 -23.513 144 HA GLU 18 HA GLU 18 -7.487 14.596 -25.898 145 HB2 GLU 18 HB2 GLU 18 -6.266 12.656 -25.238 146 HB3 GLU 18 HB3 GLU 18 -7.008 12.651 -23.644 147 HG2 GLU 18 HG2 GLU 18 -8.713 11.426 -24.348 148 HG3 GLU 18 HG3 GLU 18 -9.001 12.491 -25.723 149 H ALA 19 H ALA 19 -8.248 14.957 -22.503 150 HA ALA 19 HA ALA 19 -10.948 14.272 -22.515 151 HB1 ALA 19 HB1 ALA 19 -9.644 14.706 -20.478 152 HB2 ALA 19 HB2 ALA 19 -9.626 16.426 -20.870 153 HB3 ALA 19 HB3 ALA 19 -11.153 15.619 -20.510 154 H PHE 20 H PHE 20 -9.441 17.448 -23.073 155 HA PHE 20 HA PHE 20 -11.924 18.743 -23.629 156 HB2 PHE 20 HB2 PHE 20 -9.175 19.704 -24.429 157 HB3 PHE 20 HB3 PHE 20 -10.617 20.676 -24.152 158 HD1 PHE 20 HD1 PHE 20 -11.613 19.628 -21.621 159 HD2 PHE 20 HD2 PHE 20 -7.622 20.410 -22.874 160 HE1 PHE 20 HE1 PHE 20 -10.944 19.953 -19.276 161 HE2 PHE 20 HE2 PHE 20 -6.945 20.735 -20.531 162 HZ PHE 20 HZ PHE 20 -8.608 20.508 -18.728 163 H GLN 21 H GLN 21 -9.407 17.242 -25.569 164 HA GLN 21 HA GLN 21 -10.249 18.167 -28.089 165 HB2 GLN 21 HB2 GLN 21 -8.075 17.209 -27.902 166 HB3 GLN 21 HB3 GLN 21 -8.719 15.710 -27.245 167 HG2 GLN 21 HG2 GLN 21 -9.788 15.239 -29.401 168 HG3 GLN 21 HG3 GLN 21 -9.095 16.723 -30.054 169 HE21 GLN 21 HE21 GLN 21 -8.384 13.526 -28.832 170 HE22 GLN 21 HE22 GLN 21 -6.816 13.391 -29.545 171 H LEU 22 H LEU 22 -11.041 15.210 -26.292 172 HA LEU 22 HA LEU 22 -12.715 14.095 -28.277 173 HB2 LEU 22 HB2 LEU 22 -11.850 12.668 -26.593 174 HB3 LEU 22 HB3 LEU 22 -12.513 13.673 -25.307 175 HG LEU 22 HG LEU 22 -14.592 12.643 -27.043 176 HD11 LEU 22 HD11 LEU 22 -12.976 10.802 -27.321 177 HD12 LEU 22 HD12 LEU 22 -14.423 10.312 -26.442 178 HD13 LEU 22 HD13 LEU 22 -12.921 10.615 -25.568 179 HD21 LEU 22 HD21 LEU 22 -14.067 12.212 -24.107 180 HD22 LEU 22 HD22 LEU 22 -15.606 12.058 -24.954 181 HD23 LEU 22 HD23 LEU 22 -14.854 13.643 -24.778 182 H PHE 23 H PHE 23 -13.269 16.385 -25.690 183 HA PHE 23 HA PHE 23 -16.144 16.305 -25.992 184 HB2 PHE 23 HB2 PHE 23 -14.432 17.071 -23.950 185 HB3 PHE 23 HB3 PHE 23 -15.075 18.599 -24.543 186 HD1 PHE 23 HD1 PHE 23 -16.033 15.282 -23.219 187 HD2 PHE 23 HD2 PHE 23 -17.256 19.279 -24.021 188 HE1 PHE 23 HE1 PHE 23 -18.098 14.903 -21.937 189 HE2 PHE 23 HE2 PHE 23 -19.324 18.906 -22.739 190 HZ PHE 23 HZ PHE 23 -19.748 16.716 -21.696 191 H ASP 24 H ASP 24 -13.544 17.876 -27.494 192 HA ASP 24 HA ASP 24 -15.157 20.148 -28.371 193 HB2 ASP 24 HB2 ASP 24 -12.817 20.537 -27.663 194 HB3 ASP 24 HB3 ASP 24 -12.265 19.489 -28.966 195 H LYS 25 H LYS 25 -16.516 18.340 -29.432 196 HA LYS 25 HA LYS 25 -15.715 16.892 -31.638 197 HB2 LYS 25 HB2 LYS 25 -18.017 16.779 -32.273 198 HB3 LYS 25 HB3 LYS 25 -17.957 16.795 -30.516 199 HG2 LYS 25 HG2 LYS 25 -18.424 19.249 -30.605 200 HG3 LYS 25 HG3 LYS 25 -18.689 19.071 -32.341 201 HD2 LYS 25 HD2 LYS 25 -20.828 18.958 -31.345 202 HD3 LYS 25 HD3 LYS 25 -20.401 17.296 -31.758 203 HE2 LYS 25 HE2 LYS 25 -19.543 18.111 -29.084 204 HE3 LYS 25 HE3 LYS 25 -21.290 18.153 -29.313 205 HZ1 LYS 25 HZ1 LYS 25 -21.408 15.929 -29.465 206 HZ2 LYS 25 HZ2 LYS 25 -19.932 15.961 -28.640 207 HZ3 LYS 25 HZ3 LYS 25 -19.956 15.784 -30.321 208 H ASP 26 H ASP 26 -16.369 20.307 -31.370 209 HA ASP 26 HA ASP 26 -16.484 20.797 -34.190 210 HB2 ASP 26 HB2 ASP 26 -15.822 22.885 -32.129 211 HB3 ASP 26 HB3 ASP 26 -16.700 23.071 -33.645 212 H ASN 27 H ASN 27 -14.853 22.927 -34.644 213 HA ASN 27 HA ASN 27 -12.175 21.717 -34.452 214 HB2 ASN 27 HB2 ASN 27 -13.646 22.681 -36.685 215 HB3 ASN 27 HB3 ASN 27 -12.277 23.763 -36.449 216 HD21 ASN 27 HD21 ASN 27 -10.157 22.631 -36.091 217 HD22 ASN 27 HD22 ASN 27 -9.835 21.251 -37.080 218 H ASP 28 H ASP 28 -13.554 23.550 -32.534 219 HA ASP 28 HA ASP 28 -12.022 26.012 -32.745 220 HB2 ASP 28 HB2 ASP 28 -13.800 25.207 -30.447 221 HB3 ASP 28 HB3 ASP 28 -13.335 26.831 -30.950 222 H ASN 29 H ASN 29 -11.898 22.972 -31.105 223 HA ASN 29 HA ASN 29 -10.367 22.034 -29.709 224 HB2 ASN 29 HB2 ASN 29 -8.569 24.399 -30.215 225 HB3 ASN 29 HB3 ASN 29 -8.113 22.737 -29.852 226 HD21 ASN 29 HD21 ASN 29 -7.444 24.565 -32.097 227 HD22 ASN 29 HD22 ASN 29 -7.843 23.680 -33.527 228 H LYS 30 H LYS 30 -12.336 23.980 -28.730 229 HA LYS 30 HA LYS 30 -11.032 24.579 -26.169 230 HB2 LYS 30 HB2 LYS 30 -13.000 26.478 -27.435 231 HB3 LYS 30 HB3 LYS 30 -11.977 26.754 -26.032 232 HG2 LYS 30 HG2 LYS 30 -10.115 26.244 -27.932 233 HG3 LYS 30 HG3 LYS 30 -11.378 27.021 -28.889 234 HD2 LYS 30 HD2 LYS 30 -11.234 28.597 -26.632 235 HD3 LYS 30 HD3 LYS 30 -9.550 28.160 -26.928 236 HE2 LYS 30 HE2 LYS 30 -11.401 29.288 -29.023 237 HE3 LYS 30 HE3 LYS 30 -10.294 30.262 -28.057 238 HZ1 LYS 30 HZ1 LYS 30 -9.745 28.525 -30.301 239 HZ2 LYS 30 HZ2 LYS 30 -8.661 28.363 -29.012 240 HZ3 LYS 30 HZ3 LYS 30 -8.890 29.872 -29.739 241 H LEU 31 H LEU 31 -12.758 25.165 -24.480 242 HA LEU 31 HA LEU 31 -15.238 23.660 -24.933 243 HB2 LEU 31 HB2 LEU 31 -13.099 23.095 -22.998 244 HB3 LEU 31 HB3 LEU 31 -14.728 23.102 -22.325 245 HG LEU 31 HG LEU 31 -15.290 21.466 -24.238 246 HD11 LEU 31 HD11 LEU 31 -12.337 21.661 -24.417 247 HD12 LEU 31 HD12 LEU 31 -13.533 21.372 -25.679 248 HD13 LEU 31 HD13 LEU 31 -13.067 20.065 -24.590 249 HD21 LEU 31 HD21 LEU 31 -13.411 20.234 -22.289 250 HD22 LEU 31 HD22 LEU 31 -15.028 19.728 -22.778 251 HD23 LEU 31 HD23 LEU 31 -14.826 21.085 -21.670 252 H THR 32 H THR 32 -16.996 24.713 -24.273 253 HA THR 32 HA THR 32 -16.759 27.304 -23.079 254 HB THR 32 HB THR 32 -19.114 27.511 -23.343 255 HG1 THR 32 HG1 THR 32 -20.279 25.822 -22.846 256 HG21 THR 32 HG21 THR 32 -18.814 25.770 -25.675 257 HG22 THR 32 HG22 THR 32 -17.469 26.887 -25.445 258 HG23 THR 32 HG23 THR 32 -19.114 27.506 -25.590 259 H ALA 33 H ALA 33 -18.412 27.837 -21.249 260 HA ALA 33 HA ALA 33 -17.505 26.824 -18.867 261 HB1 ALA 33 HB1 ALA 33 -20.339 27.759 -19.157 262 HB2 ALA 33 HB2 ALA 33 -19.228 27.989 -17.806 263 HB3 ALA 33 HB3 ALA 33 -18.979 28.871 -19.314 264 H GLU 34 H GLU 34 -20.275 25.712 -20.771 265 HA GLU 34 HA GLU 34 -21.199 23.801 -18.906 266 HB2 GLU 34 HB2 GLU 34 -21.748 24.520 -21.693 267 HB3 GLU 34 HB3 GLU 34 -21.963 22.808 -21.355 268 HG2 GLU 34 HG2 GLU 34 -23.180 24.821 -19.528 269 HG3 GLU 34 HG3 GLU 34 -23.944 24.477 -21.079 270 H GLU 35 H GLU 35 -19.115 23.495 -21.771 271 HA GLU 35 HA GLU 35 -18.693 20.729 -21.594 272 HB2 GLU 35 HB2 GLU 35 -16.675 22.711 -22.639 273 HB3 GLU 35 HB3 GLU 35 -16.894 21.037 -23.128 274 HG2 GLU 35 HG2 GLU 35 -19.237 21.793 -23.879 275 HG3 GLU 35 HG3 GLU 35 -18.572 23.423 -23.780 276 H LEU 36 H LEU 36 -16.932 23.448 -20.177 277 HA LEU 36 HA LEU 36 -14.811 21.948 -19.080 278 HB2 LEU 36 HB2 LEU 36 -14.595 24.314 -19.311 279 HB3 LEU 36 HB3 LEU 36 -16.014 24.597 -18.304 280 HG LEU 36 HG LEU 36 -14.397 23.264 -16.572 281 HD11 LEU 36 HD11 LEU 36 -12.230 24.775 -16.967 282 HD12 LEU 36 HD12 LEU 36 -12.699 24.510 -18.646 283 HD13 LEU 36 HD13 LEU 36 -12.382 23.133 -17.591 284 HD21 LEU 36 HD21 LEU 36 -13.706 25.801 -16.027 285 HD22 LEU 36 HD22 LEU 36 -15.292 25.124 -15.655 286 HD23 LEU 36 HD23 LEU 36 -15.064 26.088 -17.115 287 H GLY 37 H GLY 37 -18.018 22.768 -17.883 288 HA2 GLY 37 HA2 GLY 37 -17.672 21.991 -15.205 289 HA3 GLY 37 HA3 GLY 37 -19.204 22.025 -16.065 290 H THR 38 H THR 38 -18.322 20.111 -18.090 291 HA THR 38 HA THR 38 -19.066 17.723 -16.720 292 HB THR 38 HB THR 38 -18.064 18.090 -19.550 293 HG1 THR 38 HG1 THR 38 -20.588 18.245 -18.320 294 HG21 THR 38 HG21 THR 38 -18.049 15.869 -19.710 295 HG22 THR 38 HG22 THR 38 -19.762 15.845 -19.296 296 HG23 THR 38 HG23 THR 38 -18.546 15.720 -18.026 297 H VAL 39 H VAL 39 -16.062 18.852 -18.242 298 HA VAL 39 HA VAL 39 -14.583 16.501 -17.588 299 HB VAL 39 HB VAL 39 -13.912 17.914 -19.461 300 HG11 VAL 39 HG11 VAL 39 -13.193 19.982 -17.387 301 HG12 VAL 39 HG12 VAL 39 -12.933 20.105 -19.129 302 HG13 VAL 39 HG13 VAL 39 -14.572 20.074 -18.480 303 HG21 VAL 39 HG21 VAL 39 -11.882 17.072 -19.143 304 HG22 VAL 39 HG22 VAL 39 -11.496 18.412 -18.062 305 HG23 VAL 39 HG23 VAL 39 -12.200 16.930 -17.414 306 H MET 40 H MET 40 -15.097 19.617 -16.053 307 HA MET 40 HA MET 40 -13.060 19.320 -14.084 308 HB2 MET 40 HB2 MET 40 -14.192 21.482 -14.853 309 HB3 MET 40 HB3 MET 40 -15.527 21.027 -13.802 310 HG2 MET 40 HG2 MET 40 -14.420 22.231 -12.279 311 HG3 MET 40 HG3 MET 40 -13.457 20.766 -12.097 312 HE1 MET 40 HE1 MET 40 -13.150 24.510 -12.425 313 HE2 MET 40 HE2 MET 40 -12.195 24.762 -13.887 314 HE3 MET 40 HE3 MET 40 -13.827 24.102 -14.002 315 H ARG 41 H ARG 41 -16.481 18.518 -14.241 316 HA ARG 41 HA ARG 41 -17.007 18.001 -11.571 317 HB2 ARG 41 HB2 ARG 41 -18.104 17.011 -14.152 318 HB3 ARG 41 HB3 ARG 41 -18.525 16.113 -12.698 319 HG2 ARG 41 HG2 ARG 41 -18.838 18.983 -12.368 320 HG3 ARG 41 HG3 ARG 41 -19.825 18.329 -13.676 321 HD2 ARG 41 HD2 ARG 41 -21.078 17.034 -12.268 322 HD3 ARG 41 HD3 ARG 41 -19.772 16.856 -11.097 323 HE ARG 41 HE ARG 41 -20.534 19.524 -11.068 324 HH11 ARG 41 HH11 ARG 41 -21.937 16.419 -10.352 325 HH12 ARG 41 HH12 ARG 41 -23.016 17.040 -9.146 326 HH21 ARG 41 HH21 ARG 41 -21.950 20.353 -9.483 327 HH22 ARG 41 HH22 ARG 41 -23.023 19.277 -8.654 328 H ALA 42 H ALA 42 -15.323 16.043 -13.945 329 HA ALA 42 HA ALA 42 -15.285 13.595 -12.608 330 HB1 ALA 42 HB1 ALA 42 -14.255 13.068 -14.500 331 HB2 ALA 42 HB2 ALA 42 -13.970 14.771 -14.861 332 HB3 ALA 42 HB3 ALA 42 -12.802 13.865 -13.899 333 H LEU 43 H LEU 43 -13.646 16.541 -11.910 334 HA LEU 43 HA LEU 43 -11.903 15.164 -9.979 335 HB2 LEU 43 HB2 LEU 43 -11.636 18.002 -10.938 336 HB3 LEU 43 HB3 LEU 43 -10.454 17.050 -10.042 337 HG LEU 43 HG LEU 43 -11.122 15.814 -12.576 338 HD11 LEU 43 HD11 LEU 43 -9.963 18.595 -12.656 339 HD12 LEU 43 HD12 LEU 43 -11.536 18.108 -13.286 340 HD13 LEU 43 HD13 LEU 43 -10.060 17.474 -14.014 341 HD21 LEU 43 HD21 LEU 43 -8.535 16.892 -11.463 342 HD22 LEU 43 HD22 LEU 43 -8.712 15.749 -12.795 343 HD23 LEU 43 HD23 LEU 43 -9.179 15.278 -11.161 344 H GLY 44 H GLY 44 -14.369 17.611 -10.373 345 HA2 GLY 44 HA2 GLY 44 -14.210 18.817 -7.838 346 HA3 GLY 44 HA3 GLY 44 -15.645 18.761 -8.851 347 H ALA 45 H ALA 45 -17.118 17.024 -8.610 348 HA ALA 45 HA ALA 45 -18.423 15.652 -7.341 349 HB1 ALA 45 HB1 ALA 45 -17.048 13.844 -6.092 350 HB2 ALA 45 HB2 ALA 45 -17.015 13.890 -7.855 351 HB3 ALA 45 HB3 ALA 45 -15.670 14.558 -6.931 352 H ASN 46 H ASN 46 -18.597 17.871 -6.118 353 HA ASN 46 HA ASN 46 -18.945 17.317 -3.408 354 HB2 ASN 46 HB2 ASN 46 -16.257 18.122 -4.093 355 HB3 ASN 46 HB3 ASN 46 -17.001 19.316 -3.033 356 HD21 ASN 46 HD21 ASN 46 -18.548 17.868 -1.398 357 HD22 ASN 46 HD22 ASN 46 -17.598 16.759 -0.474 358 HA PRO 47 HA PRO 47 -19.542 22.056 -4.092 359 HB2 PRO 47 HB2 PRO 47 -18.674 23.107 -6.440 360 HB3 PRO 47 HB3 PRO 47 -17.651 22.990 -5.003 361 HG2 PRO 47 HG2 PRO 47 -17.763 21.200 -7.399 362 HG3 PRO 47 HG3 PRO 47 -16.346 21.813 -6.526 363 HD2 PRO 47 HD2 PRO 47 -17.313 19.310 -6.160 364 HD3 PRO 47 HD3 PRO 47 -16.533 20.232 -4.859 365 H THR 48 H THR 48 -21.039 23.386 -5.435 366 HA THR 48 HA THR 48 -22.882 21.626 -6.863 367 HB THR 48 HB THR 48 -23.804 24.356 -6.608 368 HG1 THR 48 HG1 THR 48 -23.821 24.440 -4.340 369 HG21 THR 48 HG21 THR 48 -24.696 21.613 -5.865 370 HG22 THR 48 HG22 THR 48 -25.499 22.830 -6.855 371 HG23 THR 48 HG23 THR 48 -25.489 22.989 -5.099 372 H LYS 49 H LYS 49 -23.840 22.262 -8.874 373 HA LYS 49 HA LYS 49 -21.984 23.128 -10.796 374 HB2 LYS 49 HB2 LYS 49 -24.980 22.796 -10.888 375 HB3 LYS 49 HB3 LYS 49 -24.039 23.269 -12.296 376 HG2 LYS 49 HG2 LYS 49 -22.657 21.132 -11.750 377 HG3 LYS 49 HG3 LYS 49 -24.099 20.665 -10.845 378 HD2 LYS 49 HD2 LYS 49 -24.192 21.559 -13.718 379 HD3 LYS 49 HD3 LYS 49 -23.974 19.870 -13.248 380 HE2 LYS 49 HE2 LYS 49 -26.095 19.773 -12.233 381 HE3 LYS 49 HE3 LYS 49 -26.263 21.528 -12.227 382 HZ1 LYS 49 HZ1 LYS 49 -26.756 19.626 -14.368 383 HZ2 LYS 49 HZ2 LYS 49 -26.019 21.077 -14.829 384 HZ3 LYS 49 HZ3 LYS 49 -27.511 21.102 -14.034 385 H GLN 50 H GLN 50 -24.495 24.826 -9.024 386 HA GLN 50 HA GLN 50 -24.412 27.212 -10.567 387 HB2 GLN 50 HB2 GLN 50 -26.223 26.381 -8.905 388 HB3 GLN 50 HB3 GLN 50 -25.212 27.129 -7.674 389 HG2 GLN 50 HG2 GLN 50 -26.842 28.723 -8.243 390 HG3 GLN 50 HG3 GLN 50 -25.349 29.253 -9.017 391 HE21 GLN 50 HE21 GLN 50 -28.223 27.284 -9.677 392 HE22 GLN 50 HE22 GLN 50 -28.408 27.794 -11.317 393 H LYS 51 H LYS 51 -22.642 26.038 -7.780 394 HA LYS 51 HA LYS 51 -21.424 28.533 -7.128 395 HB2 LYS 51 HB2 LYS 51 -20.348 25.797 -6.453 396 HB3 LYS 51 HB3 LYS 51 -20.092 27.303 -5.581 397 HG2 LYS 51 HG2 LYS 51 -22.739 25.892 -5.839 398 HG3 LYS 51 HG3 LYS 51 -21.660 25.783 -4.447 399 HD2 LYS 51 HD2 LYS 51 -21.824 28.388 -4.476 400 HD3 LYS 51 HD3 LYS 51 -23.292 28.095 -5.412 401 HE2 LYS 51 HE2 LYS 51 -23.840 26.423 -3.482 402 HE3 LYS 51 HE3 LYS 51 -22.668 27.382 -2.578 403 HZ1 LYS 51 HZ1 LYS 51 -24.113 29.042 -2.357 404 HZ2 LYS 51 HZ2 LYS 51 -25.308 27.957 -2.865 405 HZ3 LYS 51 HZ3 LYS 51 -24.575 28.993 -3.984 406 H ILE 52 H ILE 52 -20.372 25.674 -8.945 407 HA ILE 52 HA ILE 52 -17.785 26.694 -9.543 408 HB ILE 52 HB ILE 52 -18.254 24.294 -9.609 409 HG12 ILE 52 HG12 ILE 52 -17.491 25.369 -12.332 410 HG13 ILE 52 HG13 ILE 52 -16.400 25.239 -10.956 411 HG21 ILE 52 HG21 ILE 52 -19.860 24.830 -12.100 412 HG22 ILE 52 HG22 ILE 52 -19.606 23.280 -11.298 413 HG23 ILE 52 HG23 ILE 52 -20.569 24.531 -10.512 414 HD11 ILE 52 HD11 ILE 52 -16.824 23.348 -12.925 415 HD12 ILE 52 HD12 ILE 52 -15.983 23.109 -11.393 416 HD13 ILE 52 HD13 ILE 52 -17.699 22.724 -11.527 417 H SER 53 H SER 53 -20.904 26.823 -11.151 418 HA SER 53 HA SER 53 -19.992 27.783 -13.646 419 HB2 SER 53 HB2 SER 53 -22.355 28.511 -13.970 420 HB3 SER 53 HB3 SER 53 -22.216 26.837 -13.431 421 HG SER 53 HG SER 53 -23.823 28.076 -12.294 422 H GLU 54 H GLU 54 -20.838 29.368 -10.631 423 HA GLU 54 HA GLU 54 -20.815 32.019 -11.692 424 HB2 GLU 54 HB2 GLU 54 -21.442 30.781 -9.214 425 HB3 GLU 54 HB3 GLU 54 -20.228 32.013 -8.895 426 HG2 GLU 54 HG2 GLU 54 -21.669 33.629 -10.149 427 HG3 GLU 54 HG3 GLU 54 -22.914 32.383 -10.193 428 H ILE 55 H ILE 55 -18.430 29.894 -10.257 429 HA ILE 55 HA ILE 55 -16.430 31.913 -9.920 430 HB ILE 55 HB ILE 55 -16.142 28.908 -10.014 431 HG12 ILE 55 HG12 ILE 55 -16.045 30.616 -7.544 432 HG13 ILE 55 HG13 ILE 55 -17.590 30.073 -8.191 433 HG21 ILE 55 HG21 ILE 55 -14.020 29.466 -8.702 434 HG22 ILE 55 HG22 ILE 55 -14.004 29.762 -10.439 435 HG23 ILE 55 HG23 ILE 55 -14.220 31.106 -9.319 436 HD11 ILE 55 HD11 ILE 55 -15.439 28.539 -6.864 437 HD12 ILE 55 HD12 ILE 55 -17.190 28.392 -6.730 438 HD13 ILE 55 HD13 ILE 55 -16.355 27.732 -8.135 439 H VAL 56 H VAL 56 -17.268 29.606 -12.433 440 HA VAL 56 HA VAL 56 -14.908 29.992 -13.988 441 HB VAL 56 HB VAL 56 -17.612 28.928 -14.816 442 HG11 VAL 56 HG11 VAL 56 -14.994 29.146 -16.240 443 HG12 VAL 56 HG12 VAL 56 -16.083 27.806 -16.596 444 HG13 VAL 56 HG13 VAL 56 -16.622 29.469 -16.833 445 HG21 VAL 56 HG21 VAL 56 -15.353 27.085 -14.557 446 HG22 VAL 56 HG22 VAL 56 -15.865 27.821 -13.038 447 HG23 VAL 56 HG23 VAL 56 -17.023 26.917 -14.015 448 H LYS 57 H LYS 57 -18.147 31.396 -14.012 449 HA LYS 57 HA LYS 57 -17.731 32.939 -16.380 450 HB2 LYS 57 HB2 LYS 57 -19.858 33.899 -15.948 451 HB3 LYS 57 HB3 LYS 57 -19.969 32.217 -15.446 452 HG2 LYS 57 HG2 LYS 57 -19.709 32.864 -13.125 453 HG3 LYS 57 HG3 LYS 57 -19.512 34.552 -13.600 454 HD2 LYS 57 HD2 LYS 57 -21.764 34.291 -12.885 455 HD3 LYS 57 HD3 LYS 57 -21.797 34.412 -14.645 456 HE2 LYS 57 HE2 LYS 57 -21.572 31.741 -14.348 457 HE3 LYS 57 HE3 LYS 57 -22.462 32.144 -12.881 458 HZ1 LYS 57 HZ1 LYS 57 -23.914 33.500 -14.540 459 HZ2 LYS 57 HZ2 LYS 57 -24.155 31.835 -14.365 460 HZ3 LYS 57 HZ3 LYS 57 -23.280 32.428 -15.685 461 H ASP 58 H ASP 58 -17.025 33.370 -13.023 462 HA ASP 58 HA ASP 58 -16.601 36.236 -13.310 463 HB2 ASP 58 HB2 ASP 58 -17.580 35.035 -11.228 464 HB3 ASP 58 HB3 ASP 58 -15.904 34.630 -10.866 465 H TYR 59 H TYR 59 -14.794 33.265 -13.197 466 HA TYR 59 HA TYR 59 -12.248 34.625 -12.895 467 HB2 TYR 59 HB2 TYR 59 -12.779 32.354 -11.890 468 HB3 TYR 59 HB3 TYR 59 -12.692 31.707 -13.523 469 HD1 TYR 59 HD1 TYR 59 -10.696 33.644 -11.042 470 HD2 TYR 59 HD2 TYR 59 -10.643 31.001 -14.376 471 HE1 TYR 59 HE1 TYR 59 -8.260 33.407 -10.807 472 HE2 TYR 59 HE2 TYR 59 -8.207 30.755 -14.150 473 HH TYR 59 HH TYR 59 -6.486 31.002 -12.393 474 H ASP 60 H ASP 60 -14.203 33.197 -15.411 475 HA ASP 60 HA ASP 60 -12.068 33.569 -17.379 476 HB2 ASP 60 HB2 ASP 60 -13.775 31.516 -17.130 477 HB3 ASP 60 HB3 ASP 60 -14.735 32.541 -18.195 478 H LYS 61 H LYS 61 -12.819 35.959 -16.459 479 HA LYS 61 HA LYS 61 -14.677 37.032 -18.476 480 HB2 LYS 61 HB2 LYS 61 -15.179 38.824 -16.997 481 HB3 LYS 61 HB3 LYS 61 -15.251 37.352 -16.037 482 HG2 LYS 61 HG2 LYS 61 -12.845 37.872 -15.369 483 HG3 LYS 61 HG3 LYS 61 -13.137 39.477 -16.042 484 HD2 LYS 61 HD2 LYS 61 -14.778 39.973 -14.453 485 HD3 LYS 61 HD3 LYS 61 -15.005 38.276 -14.025 486 HE2 LYS 61 HE2 LYS 61 -12.794 38.230 -13.000 487 HE3 LYS 61 HE3 LYS 61 -12.534 39.912 -13.458 488 HZ1 LYS 61 HZ1 LYS 61 -14.654 38.943 -11.618 489 HZ2 LYS 61 HZ2 LYS 61 -14.371 40.556 -12.041 490 HZ3 LYS 61 HZ3 LYS 61 -13.219 39.702 -11.146 491 H ASP 62 H ASP 62 -11.436 36.979 -17.410 492 HA ASP 62 HA ASP 62 -10.721 39.477 -18.715 493 HB2 ASP 62 HB2 ASP 62 -8.611 39.250 -17.740 494 HB3 ASP 62 HB3 ASP 62 -9.676 38.518 -16.544 495 H ASN 63 H ASN 63 -11.597 36.682 -19.934 496 HA ASN 63 HA ASN 63 -9.771 36.914 -22.209 497 HB2 ASN 63 HB2 ASN 63 -9.989 34.611 -20.401 498 HB3 ASN 63 HB3 ASN 63 -10.169 34.196 -22.104 499 HD21 ASN 63 HD21 ASN 63 -8.205 33.044 -21.970 500 HD22 ASN 63 HD22 ASN 63 -6.687 33.867 -22.000 501 H SER 64 H SER 64 -12.336 34.626 -21.282 502 HA SER 64 HA SER 64 -14.385 35.742 -22.822 503 HB2 SER 64 HB2 SER 64 -12.486 34.745 -24.507 504 HB3 SER 64 HB3 SER 64 -13.546 33.347 -24.326 505 HG SER 64 HG SER 64 -14.223 35.944 -25.233 506 H GLY 65 H GLY 65 -15.812 33.579 -23.670 507 HA2 GLY 65 HA2 GLY 65 -16.308 32.200 -21.126 508 HA3 GLY 65 HA3 GLY 65 -17.460 32.376 -22.441 509 H LYS 66 H LYS 66 -14.137 31.363 -22.901 510 HA LYS 66 HA LYS 66 -15.037 28.600 -23.330 511 HB2 LYS 66 HB2 LYS 66 -13.774 30.445 -25.288 512 HB3 LYS 66 HB3 LYS 66 -13.217 28.776 -25.291 513 HG2 LYS 66 HG2 LYS 66 -14.934 28.312 -26.612 514 HG3 LYS 66 HG3 LYS 66 -15.985 28.579 -25.218 515 HD2 LYS 66 HD2 LYS 66 -16.940 30.156 -26.499 516 HD3 LYS 66 HD3 LYS 66 -15.532 31.132 -26.071 517 HE2 LYS 66 HE2 LYS 66 -14.393 30.415 -28.092 518 HE3 LYS 66 HE3 LYS 66 -15.743 29.359 -28.504 519 HZ1 LYS 66 HZ1 LYS 66 -16.210 32.237 -28.109 520 HZ2 LYS 66 HZ2 LYS 66 -17.078 31.131 -29.050 521 HZ3 LYS 66 HZ3 LYS 66 -15.570 31.687 -29.576 522 H PHE 67 H PHE 67 -13.157 27.076 -23.529 523 HA PHE 67 HA PHE 67 -10.902 27.980 -21.861 524 HB2 PHE 67 HB2 PHE 67 -12.609 25.535 -21.649 525 HB3 PHE 67 HB3 PHE 67 -10.912 25.423 -21.192 526 HD1 PHE 67 HD1 PHE 67 -14.047 27.277 -20.509 527 HD2 PHE 67 HD2 PHE 67 -10.181 26.177 -19.108 528 HE1 PHE 67 HE1 PHE 67 -14.587 28.212 -18.299 529 HE2 PHE 67 HE2 PHE 67 -10.714 27.109 -16.895 530 HZ PHE 67 HZ PHE 67 -12.919 28.129 -16.488 531 H ASP 68 H ASP 68 -8.909 27.547 -22.595 532 HA ASP 68 HA ASP 68 -8.690 25.881 -25.016 533 HB2 ASP 68 HB2 ASP 68 -8.135 28.190 -25.480 534 HB3 ASP 68 HB3 ASP 68 -7.019 28.236 -24.118 535 H GLN 69 H GLN 69 -7.225 24.252 -25.092 536 HA GLN 69 HA GLN 69 -6.390 22.955 -22.824 537 HB2 GLN 69 HB2 GLN 69 -4.903 22.892 -25.452 538 HB3 GLN 69 HB3 GLN 69 -4.940 21.633 -24.224 539 HG2 GLN 69 HG2 GLN 69 -7.389 21.406 -24.638 540 HG3 GLN 69 HG3 GLN 69 -7.206 22.526 -25.988 541 HE21 GLN 69 HE21 GLN 69 -6.170 21.853 -27.847 542 HE22 GLN 69 HE22 GLN 69 -5.820 20.193 -28.169 543 H GLU 70 H GLU 70 -4.657 25.403 -24.682 544 HA GLU 70 HA GLU 70 -2.170 25.219 -23.433 545 HB2 GLU 70 HB2 GLU 70 -3.014 26.661 -25.467 546 HB3 GLU 70 HB3 GLU 70 -3.260 27.888 -24.231 547 HG2 GLU 70 HG2 GLU 70 -0.916 27.757 -23.607 548 HG3 GLU 70 HG3 GLU 70 -0.657 26.491 -24.806 549 H THR 71 H THR 71 -5.091 26.948 -22.487 550 HA THR 71 HA THR 71 -4.024 28.471 -20.395 551 HB THR 71 HB THR 71 -6.809 27.319 -20.658 552 HG1 THR 71 HG1 THR 71 -5.951 29.969 -21.211 553 HG21 THR 71 HG21 THR 71 -7.036 29.647 -19.242 554 HG22 THR 71 HG22 THR 71 -5.539 28.975 -18.598 555 HG23 THR 71 HG23 THR 71 -7.027 28.031 -18.535 556 H PHE 72 H PHE 72 -5.414 25.207 -20.395 557 HA PHE 72 HA PHE 72 -5.223 24.781 -17.614 558 HB2 PHE 72 HB2 PHE 72 -6.592 23.193 -18.509 559 HB3 PHE 72 HB3 PHE 72 -5.678 23.100 -20.011 560 HD1 PHE 72 HD1 PHE 72 -5.636 22.071 -16.451 561 HD2 PHE 72 HD2 PHE 72 -4.162 21.366 -20.381 562 HE1 PHE 72 HE1 PHE 72 -4.598 19.977 -15.682 563 HE2 PHE 72 HE2 PHE 72 -3.123 19.270 -19.618 564 HZ PHE 72 HZ PHE 72 -3.339 18.573 -17.266 565 H LEU 73 H LEU 73 -3.055 23.909 -20.288 566 HA LEU 73 HA LEU 73 -1.120 22.588 -18.739 567 HB2 LEU 73 HB2 LEU 73 -1.141 23.886 -21.424 568 HB3 LEU 73 HB3 LEU 73 0.399 23.393 -20.722 569 HG LEU 73 HG LEU 73 -1.559 21.259 -20.617 570 HD11 LEU 73 HD11 LEU 73 -1.373 22.808 -23.082 571 HD12 LEU 73 HD12 LEU 73 -2.549 21.589 -22.591 572 HD13 LEU 73 HD13 LEU 73 -1.008 21.095 -23.293 573 HD21 LEU 73 HD21 LEU 73 1.240 21.690 -21.567 574 HD22 LEU 73 HD22 LEU 73 0.377 20.218 -22.016 575 HD23 LEU 73 HD23 LEU 73 0.631 20.606 -20.314 576 H THR 74 H THR 74 -1.631 25.975 -19.466 577 HA THR 74 HA THR 74 0.897 26.884 -18.508 578 HB THR 74 HB THR 74 -1.694 28.407 -18.855 579 HG1 THR 74 HG1 THR 74 -0.776 29.006 -20.837 580 HG21 THR 74 HG21 THR 74 1.134 29.354 -18.393 581 HG22 THR 74 HG22 THR 74 -0.265 29.621 -17.354 582 HG23 THR 74 HG23 THR 74 -0.181 30.395 -18.936 583 H ILE 75 H ILE 75 -2.315 26.543 -17.076 584 HA ILE 75 HA ILE 75 -1.714 27.819 -14.623 585 HB ILE 75 HB ILE 75 -3.807 25.726 -15.226 586 HG12 ILE 75 HG12 ILE 75 -4.430 28.615 -14.848 587 HG13 ILE 75 HG13 ILE 75 -3.689 28.133 -16.370 588 HG21 ILE 75 HG21 ILE 75 -3.424 27.535 -12.850 589 HG22 ILE 75 HG22 ILE 75 -4.933 26.694 -13.206 590 HG23 ILE 75 HG23 ILE 75 -3.468 25.772 -12.870 591 HD11 ILE 75 HD11 ILE 75 -6.117 28.205 -16.524 592 HD12 ILE 75 HD12 ILE 75 -5.505 26.569 -16.770 593 HD13 ILE 75 HD13 ILE 75 -6.238 27.014 -15.228 594 H MET 76 H MET 76 -1.779 24.389 -15.564 595 HA MET 76 HA MET 76 -0.964 23.410 -13.033 596 HB2 MET 76 HB2 MET 76 -0.489 21.302 -14.259 597 HB3 MET 76 HB3 MET 76 -2.093 21.947 -14.582 598 HG2 MET 76 HG2 MET 76 -1.535 21.512 -16.711 599 HG3 MET 76 HG3 MET 76 -0.744 23.082 -16.597 600 HE1 MET 76 HE1 MET 76 -0.650 19.469 -16.941 601 HE2 MET 76 HE2 MET 76 1.021 19.027 -17.290 602 HE3 MET 76 HE3 MET 76 0.476 19.165 -15.618 603 H LEU 77 H LEU 77 0.755 24.630 -15.803 604 HA LEU 77 HA LEU 77 3.312 23.586 -15.020 605 HB2 LEU 77 HB2 LEU 77 2.765 24.064 -17.359 606 HB3 LEU 77 HB3 LEU 77 2.605 25.776 -16.969 607 HG LEU 77 HG LEU 77 4.760 24.958 -18.115 608 HD11 LEU 77 HD11 LEU 77 5.798 26.823 -17.354 609 HD12 LEU 77 HD12 LEU 77 5.454 26.463 -15.663 610 HD13 LEU 77 HD13 LEU 77 4.194 27.140 -16.694 611 HD21 LEU 77 HD21 LEU 77 4.916 23.102 -16.275 612 HD22 LEU 77 HD22 LEU 77 5.700 24.379 -15.345 613 HD23 LEU 77 HD23 LEU 77 6.376 23.875 -16.893 614 H GLU 78 H GLU 78 1.571 26.618 -14.627 615 HA GLU 78 HA GLU 78 3.784 28.046 -13.519 616 HB2 GLU 78 HB2 GLU 78 0.853 28.546 -13.806 617 HB3 GLU 78 HB3 GLU 78 1.770 29.533 -12.676 618 HG2 GLU 78 HG2 GLU 78 2.811 29.209 -15.440 619 HG3 GLU 78 HG3 GLU 78 1.422 30.262 -15.176 620 H TYR 79 H TYR 79 1.271 25.997 -12.251 621 HA TYR 79 HA TYR 79 1.902 26.718 -9.498 622 HB2 TYR 79 HB2 TYR 79 -0.391 25.684 -10.837 623 HB3 TYR 79 HB3 TYR 79 0.110 24.505 -9.631 624 HD1 TYR 79 HD1 TYR 79 0.142 28.243 -9.639 625 HD2 TYR 79 HD2 TYR 79 -1.288 24.682 -7.800 626 HE1 TYR 79 HE1 TYR 79 -0.934 29.589 -7.885 627 HE2 TYR 79 HE2 TYR 79 -2.369 26.019 -6.040 628 HH TYR 79 HH TYR 79 -2.803 28.055 -5.280 629 H GLY 80 H GLY 80 2.547 24.234 -11.828 630 HA2 GLY 80 HA2 GLY 80 3.228 22.105 -10.139 631 HA3 GLY 80 HA3 GLY 80 3.869 22.361 -11.754 632 H GLN 81 H GLN 81 4.837 25.084 -10.675 633 HA GLN 81 HA GLN 81 7.503 24.459 -10.338 634 HB2 GLN 81 HB2 GLN 81 5.928 26.839 -9.360 635 HB3 GLN 81 HB3 GLN 81 7.680 26.737 -9.247 636 HG2 GLN 81 HG2 GLN 81 7.226 26.136 -11.876 637 HG3 GLN 81 HG3 GLN 81 5.978 27.333 -11.534 638 HE21 GLN 81 HE21 GLN 81 6.598 29.280 -12.100 639 HE22 GLN 81 HE22 GLN 81 8.185 29.940 -11.931 640 H GLU 82 H GLU 82 4.933 24.483 -7.981 641 HA GLU 82 HA GLU 82 6.741 24.257 -5.732 642 HB2 GLU 82 HB2 GLU 82 3.980 24.897 -6.109 643 HB3 GLU 82 HB3 GLU 82 4.095 23.547 -4.989 644 HG2 GLU 82 HG2 GLU 82 5.563 24.813 -3.553 645 HG3 GLU 82 HG3 GLU 82 5.575 26.150 -4.701 646 H VAL 83 H VAL 83 6.445 22.437 -4.166 647 HA VAL 83 HA VAL 83 7.120 20.000 -5.303 648 HB VAL 83 HB VAL 83 7.557 20.599 -2.943 649 HG11 VAL 83 HG11 VAL 83 5.423 21.601 -2.380 650 HG12 VAL 83 HG12 VAL 83 4.612 20.047 -2.585 651 HG13 VAL 83 HG13 VAL 83 5.774 20.271 -1.277 652 HG21 VAL 83 HG21 VAL 83 7.260 18.159 -3.976 653 HG22 VAL 83 HG22 VAL 83 7.667 18.427 -2.281 654 HG23 VAL 83 HG23 VAL 83 6.000 18.083 -2.744 655 H ASP 84 H ASP 84 6.015 18.044 -5.587 656 HA ASP 84 HA ASP 84 3.325 18.317 -6.513 657 HB2 ASP 84 HB2 ASP 84 5.228 15.998 -6.277 658 HB3 ASP 84 HB3 ASP 84 3.555 15.763 -6.776 659 H SER 85 H SER 85 1.673 16.581 -5.850 660 HA SER 85 HA SER 85 0.184 15.896 -4.270 661 HB2 SER 85 HB2 SER 85 1.910 14.204 -3.860 662 HB3 SER 85 HB3 SER 85 2.723 15.291 -2.735 663 HG SER 85 HG SER 85 0.023 14.641 -2.326 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -9.270 13.563 2.503 2 HA MET 1 HA MET 1 -7.105 14.159 1.296 3 HB2 MET 1 HB2 MET 1 -9.694 13.534 0.221 4 HB3 MET 1 HB3 MET 1 -8.842 14.601 -0.887 5 HG2 MET 1 HG2 MET 1 -7.934 12.729 -1.679 6 HG3 MET 1 HG3 MET 1 -6.897 12.813 -0.256 7 HE1 MET 1 HE1 MET 1 -8.770 10.042 -2.143 8 HE2 MET 1 HE2 MET 1 -10.261 9.938 -1.207 9 HE3 MET 1 HE3 MET 1 -9.835 11.443 -2.023 10 H SER 2 H SER 2 -9.655 16.526 1.570 11 HA SER 2 HA SER 2 -9.715 18.775 1.229 12 HB2 SER 2 HB2 SER 2 -7.222 18.236 2.325 13 HB3 SER 2 HB3 SER 2 -6.852 19.235 0.920 14 HG SER 2 HG SER 2 -7.341 20.781 2.279 15 H GLU 3 H GLU 3 -8.465 20.568 -0.268 16 HA GLU 3 HA GLU 3 -8.508 19.406 -2.975 17 HB2 GLU 3 HB2 GLU 3 -10.230 21.255 -2.022 18 HB3 GLU 3 HB3 GLU 3 -8.969 22.310 -2.647 19 HG2 GLU 3 HG2 GLU 3 -9.216 20.721 -4.755 20 HG3 GLU 3 HG3 GLU 3 -10.835 20.517 -4.086 21 H GLN 4 H GLN 4 -6.444 19.155 -3.582 22 HA GLN 4 HA GLN 4 -4.760 21.526 -3.701 23 HB2 GLN 4 HB2 GLN 4 -3.793 18.946 -2.459 24 HB3 GLN 4 HB3 GLN 4 -2.821 20.383 -2.747 25 HG2 GLN 4 HG2 GLN 4 -4.344 21.626 -1.210 26 HG3 GLN 4 HG3 GLN 4 -5.115 20.087 -0.827 27 HE21 GLN 4 HE21 GLN 4 -2.663 22.220 -0.035 28 HE22 GLN 4 HE22 GLN 4 -1.756 21.197 1.020 29 H LYS 5 H LYS 5 -3.186 21.457 -5.319 30 HA LYS 5 HA LYS 5 -3.563 19.284 -7.265 31 HB2 LYS 5 HB2 LYS 5 -4.099 21.662 -7.937 32 HB3 LYS 5 HB3 LYS 5 -2.382 22.014 -7.785 33 HG2 LYS 5 HG2 LYS 5 -1.832 20.548 -9.563 34 HG3 LYS 5 HG3 LYS 5 -3.462 19.869 -9.592 35 HD2 LYS 5 HD2 LYS 5 -3.049 22.796 -10.053 36 HD3 LYS 5 HD3 LYS 5 -2.768 21.648 -11.364 37 HE2 LYS 5 HE2 LYS 5 -5.296 21.399 -9.828 38 HE3 LYS 5 HE3 LYS 5 -5.142 22.766 -10.932 39 HZ1 LYS 5 HZ1 LYS 5 -5.950 21.239 -12.369 40 HZ2 LYS 5 HZ2 LYS 5 -5.328 19.915 -11.518 41 HZ3 LYS 5 HZ3 LYS 5 -4.314 20.832 -12.516 42 H LYS 6 H LYS 6 -2.030 17.786 -7.120 43 HA LYS 6 HA LYS 6 0.769 18.665 -7.027 44 HB2 LYS 6 HB2 LYS 6 1.241 16.680 -5.530 45 HB3 LYS 6 HB3 LYS 6 0.383 18.017 -4.776 46 HG2 LYS 6 HG2 LYS 6 -1.394 16.020 -5.936 47 HG3 LYS 6 HG3 LYS 6 -0.343 15.379 -4.670 48 HD2 LYS 6 HD2 LYS 6 -1.124 17.012 -3.104 49 HD3 LYS 6 HD3 LYS 6 -2.011 17.873 -4.364 50 HE2 LYS 6 HE2 LYS 6 -3.725 16.389 -4.358 51 HE3 LYS 6 HE3 LYS 6 -2.679 15.016 -3.997 52 HZ1 LYS 6 HZ1 LYS 6 -3.150 17.056 -1.934 53 HZ2 LYS 6 HZ2 LYS 6 -2.775 15.417 -1.754 54 HZ3 LYS 6 HZ3 LYS 6 -4.332 15.881 -2.221 55 H VAL 7 H VAL 7 -0.329 18.086 -9.376 56 HA VAL 7 HA VAL 7 0.894 15.512 -10.054 57 HB VAL 7 HB VAL 7 -0.980 15.096 -11.688 58 HG11 VAL 7 HG11 VAL 7 -1.974 15.085 -8.855 59 HG12 VAL 7 HG12 VAL 7 -2.265 13.904 -10.133 60 HG13 VAL 7 HG13 VAL 7 -0.672 14.022 -9.389 61 HG21 VAL 7 HG21 VAL 7 -3.114 16.173 -11.308 62 HG22 VAL 7 HG22 VAL 7 -2.428 17.130 -9.996 63 HG23 VAL 7 HG23 VAL 7 -1.888 17.392 -11.655 64 H LEU 8 H LEU 8 1.940 15.470 -11.997 65 HA LEU 8 HA LEU 8 1.504 17.265 -14.122 66 HB2 LEU 8 HB2 LEU 8 2.422 18.917 -12.608 67 HB3 LEU 8 HB3 LEU 8 3.833 17.903 -12.318 68 HG LEU 8 HG LEU 8 3.968 18.226 -15.013 69 HD11 LEU 8 HD11 LEU 8 3.610 21.010 -14.546 70 HD12 LEU 8 HD12 LEU 8 2.113 20.172 -14.139 71 HD13 LEU 8 HD13 LEU 8 2.825 19.976 -15.740 72 HD21 LEU 8 HD21 LEU 8 5.154 19.789 -12.741 73 HD22 LEU 8 HD22 LEU 8 5.614 20.092 -14.417 74 HD23 LEU 8 HD23 LEU 8 5.885 18.502 -13.703 75 H THR 9 H THR 9 1.599 14.997 -14.876 76 HA THR 9 HA THR 9 4.345 14.332 -15.678 77 HB THR 9 HB THR 9 3.136 11.856 -15.516 78 HG1 THR 9 HG1 THR 9 1.789 11.854 -13.883 79 HG21 THR 9 HG21 THR 9 5.311 11.841 -14.842 80 HG22 THR 9 HG22 THR 9 4.553 11.855 -13.251 81 HG23 THR 9 HG23 THR 9 5.160 13.355 -13.952 82 H ALA 10 H ALA 10 4.298 12.620 -17.471 83 HA ALA 10 HA ALA 10 3.041 13.622 -19.713 84 HB1 ALA 10 HB1 ALA 10 3.356 10.868 -20.177 85 HB2 ALA 10 HB2 ALA 10 4.457 12.174 -20.616 86 HB3 ALA 10 HB3 ALA 10 4.647 11.341 -19.074 87 H GLU 11 H GLU 11 1.940 11.069 -17.522 88 HA GLU 11 HA GLU 11 -0.253 10.146 -18.947 89 HB2 GLU 11 HB2 GLU 11 -0.063 10.478 -15.948 90 HB3 GLU 11 HB3 GLU 11 -1.156 9.401 -16.807 91 HG2 GLU 11 HG2 GLU 11 1.517 8.863 -17.638 92 HG3 GLU 11 HG3 GLU 11 1.448 8.872 -15.876 93 H GLU 12 H GLU 12 0.023 12.945 -16.810 94 HA GLU 12 HA GLU 12 -2.732 13.625 -16.857 95 HB2 GLU 12 HB2 GLU 12 -1.388 14.480 -15.076 96 HB3 GLU 12 HB3 GLU 12 -0.254 15.215 -16.200 97 HG2 GLU 12 HG2 GLU 12 -1.510 17.048 -16.475 98 HG3 GLU 12 HG3 GLU 12 -3.022 16.139 -16.475 99 H GLN 13 H GLN 13 0.064 14.685 -18.751 100 HA GLN 13 HA GLN 13 -1.163 16.717 -20.211 101 HB2 GLN 13 HB2 GLN 13 1.330 15.899 -20.107 102 HB3 GLN 13 HB3 GLN 13 0.865 14.937 -21.504 103 HG2 GLN 13 HG2 GLN 13 0.018 17.121 -22.510 104 HG3 GLN 13 HG3 GLN 13 0.925 17.920 -21.226 105 HE21 GLN 13 HE21 GLN 13 3.129 17.987 -21.318 106 HE22 GLN 13 HE22 GLN 13 4.039 17.461 -22.689 107 H GLN 14 H GLN 14 -0.739 13.292 -21.099 108 HA GLN 14 HA GLN 14 -2.205 13.457 -23.503 109 HB2 GLN 14 HB2 GLN 14 -2.277 10.984 -23.377 110 HB3 GLN 14 HB3 GLN 14 -0.663 11.634 -23.123 111 HG2 GLN 14 HG2 GLN 14 -1.145 11.444 -20.638 112 HG3 GLN 14 HG3 GLN 14 -2.541 10.471 -21.098 113 HE21 GLN 14 HE21 GLN 14 -2.232 8.371 -21.232 114 HE22 GLN 14 HE22 GLN 14 -0.712 7.577 -21.443 115 H GLU 15 H GLU 15 -3.125 12.538 -20.211 116 HA GLU 15 HA GLU 15 -5.712 11.657 -20.689 117 HB2 GLU 15 HB2 GLU 15 -4.283 12.818 -18.360 118 HB3 GLU 15 HB3 GLU 15 -6.040 12.806 -18.286 119 HG2 GLU 15 HG2 GLU 15 -4.721 10.288 -19.094 120 HG3 GLU 15 HG3 GLU 15 -4.535 10.791 -17.415 121 H TYR 16 H TYR 16 -4.527 14.950 -20.155 122 HA TYR 16 HA TYR 16 -7.112 16.152 -20.262 123 HB2 TYR 16 HB2 TYR 16 -5.174 17.194 -19.120 124 HB3 TYR 16 HB3 TYR 16 -4.404 17.432 -20.684 125 HD1 TYR 16 HD1 TYR 16 -7.924 17.983 -19.566 126 HD2 TYR 16 HD2 TYR 16 -4.348 19.710 -21.096 127 HE1 TYR 16 HE1 TYR 16 -9.074 20.145 -19.799 128 HE2 TYR 16 HE2 TYR 16 -5.490 21.876 -21.331 129 HH TYR 16 HH TYR 16 -8.928 22.239 -20.528 130 H LYS 17 H LYS 17 -4.477 15.737 -22.590 131 HA LYS 17 HA LYS 17 -5.453 17.236 -24.699 132 HB2 LYS 17 HB2 LYS 17 -3.910 14.638 -24.740 133 HB3 LYS 17 HB3 LYS 17 -4.192 15.630 -26.165 134 HG2 LYS 17 HG2 LYS 17 -3.098 17.200 -24.007 135 HG3 LYS 17 HG3 LYS 17 -2.070 15.815 -24.384 136 HD2 LYS 17 HD2 LYS 17 -3.148 17.569 -26.563 137 HD3 LYS 17 HD3 LYS 17 -1.700 18.030 -25.664 138 HE2 LYS 17 HE2 LYS 17 -1.503 15.285 -26.447 139 HE3 LYS 17 HE3 LYS 17 -1.906 16.265 -27.856 140 HZ1 LYS 17 HZ1 LYS 17 0.572 15.911 -27.017 141 HZ2 LYS 17 HZ2 LYS 17 0.189 17.286 -26.108 142 HZ3 LYS 17 HZ3 LYS 17 0.071 17.328 -27.795 143 H GLU 18 H GLU 18 -6.153 13.847 -23.894 144 HA GLU 18 HA GLU 18 -7.952 13.500 -26.093 145 HB2 GLU 18 HB2 GLU 18 -8.399 11.330 -25.174 146 HB3 GLU 18 HB3 GLU 18 -6.675 11.641 -25.019 147 HG2 GLU 18 HG2 GLU 18 -6.920 12.142 -22.684 148 HG3 GLU 18 HG3 GLU 18 -8.674 12.018 -22.803 149 H ALA 19 H ALA 19 -8.243 14.452 -22.744 150 HA ALA 19 HA ALA 19 -11.007 14.087 -22.413 151 HB1 ALA 19 HB1 ALA 19 -9.286 16.195 -21.117 152 HB2 ALA 19 HB2 ALA 19 -10.827 15.573 -20.525 153 HB3 ALA 19 HB3 ALA 19 -9.411 14.523 -20.573 154 H PHE 20 H PHE 20 -9.178 16.997 -23.354 155 HA PHE 20 HA PHE 20 -11.544 18.523 -23.861 156 HB2 PHE 20 HB2 PHE 20 -10.142 20.297 -24.182 157 HB3 PHE 20 HB3 PHE 20 -9.021 19.241 -23.330 158 HD1 PHE 20 HD1 PHE 20 -9.955 20.639 -26.584 159 HD2 PHE 20 HD2 PHE 20 -7.169 18.218 -24.464 160 HE1 PHE 20 HE1 PHE 20 -8.411 20.744 -28.498 161 HE2 PHE 20 HE2 PHE 20 -5.622 18.319 -26.374 162 HZ PHE 20 HZ PHE 20 -6.241 19.583 -28.394 163 H GLN 21 H GLN 21 -9.376 16.556 -25.778 164 HA GLN 21 HA GLN 21 -10.238 17.431 -28.327 165 HB2 GLN 21 HB2 GLN 21 -8.161 16.272 -28.186 166 HB3 GLN 21 HB3 GLN 21 -8.906 14.895 -27.386 167 HG2 GLN 21 HG2 GLN 21 -10.144 14.387 -29.440 168 HG3 GLN 21 HG3 GLN 21 -9.352 15.745 -30.238 169 HE21 GLN 21 HE21 GLN 21 -8.818 13.855 -31.686 170 HE22 GLN 21 HE22 GLN 21 -7.342 13.021 -31.360 171 H LEU 22 H LEU 22 -11.212 14.702 -26.277 172 HA LEU 22 HA LEU 22 -13.103 13.638 -28.089 173 HB2 LEU 22 HB2 LEU 22 -12.307 12.213 -26.389 174 HB3 LEU 22 HB3 LEU 22 -12.712 13.371 -25.124 175 HG LEU 22 HG LEU 22 -15.092 12.594 -26.527 176 HD11 LEU 22 HD11 LEU 22 -14.234 10.527 -27.127 177 HD12 LEU 22 HD12 LEU 22 -14.999 10.198 -25.573 178 HD13 LEU 22 HD13 LEU 22 -13.250 10.398 -25.671 179 HD21 LEU 22 HD21 LEU 22 -15.931 12.314 -24.383 180 HD22 LEU 22 HD22 LEU 22 -14.659 13.512 -24.150 181 HD23 LEU 22 HD23 LEU 22 -14.369 11.825 -23.726 182 H PHE 23 H PHE 23 -13.265 16.126 -25.636 183 HA PHE 23 HA PHE 23 -16.159 16.357 -25.924 184 HB2 PHE 23 HB2 PHE 23 -14.149 17.260 -23.965 185 HB3 PHE 23 HB3 PHE 23 -15.447 18.408 -24.277 186 HD1 PHE 23 HD1 PHE 23 -17.852 17.118 -24.435 187 HD2 PHE 23 HD2 PHE 23 -14.470 15.915 -22.149 188 HE1 PHE 23 HE1 PHE 23 -19.328 15.863 -22.919 189 HE2 PHE 23 HE2 PHE 23 -15.940 14.657 -20.630 190 HZ PHE 23 HZ PHE 23 -18.372 14.629 -21.014 191 H ASP 24 H ASP 24 -13.996 17.112 -27.972 192 HA ASP 24 HA ASP 24 -15.116 19.763 -28.575 193 HB2 ASP 24 HB2 ASP 24 -12.815 20.019 -27.693 194 HB3 ASP 24 HB3 ASP 24 -12.225 18.966 -28.976 195 H LYS 25 H LYS 25 -16.466 17.988 -29.743 196 HA LYS 25 HA LYS 25 -15.365 16.772 -32.064 197 HB2 LYS 25 HB2 LYS 25 -18.054 17.092 -30.872 198 HB3 LYS 25 HB3 LYS 25 -18.013 16.843 -32.611 199 HG2 LYS 25 HG2 LYS 25 -18.228 14.703 -31.719 200 HG3 LYS 25 HG3 LYS 25 -16.514 14.839 -32.116 201 HD2 LYS 25 HD2 LYS 25 -16.579 13.869 -29.972 202 HD3 LYS 25 HD3 LYS 25 -16.173 15.565 -29.701 203 HE2 LYS 25 HE2 LYS 25 -18.181 16.030 -28.729 204 HE3 LYS 25 HE3 LYS 25 -19.045 14.828 -29.685 205 HZ1 LYS 25 HZ1 LYS 25 -19.034 13.963 -27.544 206 HZ2 LYS 25 HZ2 LYS 25 -17.434 14.423 -27.246 207 HZ3 LYS 25 HZ3 LYS 25 -17.762 13.139 -28.297 208 H ASP 26 H ASP 26 -16.662 19.905 -31.375 209 HA ASP 26 HA ASP 26 -17.254 20.634 -34.074 210 HB2 ASP 26 HB2 ASP 26 -17.245 22.986 -33.096 211 HB3 ASP 26 HB3 ASP 26 -18.400 21.853 -32.397 212 H ASN 27 H ASN 27 -14.377 20.246 -32.354 213 HA ASN 27 HA ASN 27 -12.196 20.649 -32.853 214 HB2 ASN 27 HB2 ASN 27 -13.259 20.035 -35.217 215 HB3 ASN 27 HB3 ASN 27 -12.852 21.714 -35.560 216 HD21 ASN 27 HD21 ASN 27 -11.613 18.558 -34.799 217 HD22 ASN 27 HD22 ASN 27 -9.969 18.882 -35.219 218 H ASP 28 H ASP 28 -13.256 22.567 -31.366 219 HA ASP 28 HA ASP 28 -12.576 25.133 -32.621 220 HB2 ASP 28 HB2 ASP 28 -14.106 24.478 -30.097 221 HB3 ASP 28 HB3 ASP 28 -13.671 26.116 -30.577 222 H ASN 29 H ASN 29 -11.257 22.773 -30.650 223 HA ASN 29 HA ASN 29 -9.335 22.646 -29.440 224 HB2 ASN 29 HB2 ASN 29 -8.713 24.353 -31.419 225 HB3 ASN 29 HB3 ASN 29 -8.513 25.436 -30.044 226 HD21 ASN 29 HD21 ASN 29 -6.553 24.294 -31.913 227 HD22 ASN 29 HD22 ASN 29 -5.385 23.490 -30.926 228 H LYS 30 H LYS 30 -11.877 24.173 -28.538 229 HA LYS 30 HA LYS 30 -10.782 24.922 -25.948 230 HB2 LYS 30 HB2 LYS 30 -12.462 26.815 -27.604 231 HB3 LYS 30 HB3 LYS 30 -12.039 27.058 -25.914 232 HG2 LYS 30 HG2 LYS 30 -9.687 27.185 -26.496 233 HG3 LYS 30 HG3 LYS 30 -10.075 26.871 -28.190 234 HD2 LYS 30 HD2 LYS 30 -9.834 29.189 -28.101 235 HD3 LYS 30 HD3 LYS 30 -11.581 28.951 -28.012 236 HE2 LYS 30 HE2 LYS 30 -11.193 28.971 -25.446 237 HE3 LYS 30 HE3 LYS 30 -9.662 29.744 -25.855 238 HZ1 LYS 30 HZ1 LYS 30 -12.315 30.738 -26.740 239 HZ2 LYS 30 HZ2 LYS 30 -10.823 31.514 -26.927 240 HZ3 LYS 30 HZ3 LYS 30 -11.488 31.321 -25.385 241 H LEU 31 H LEU 31 -12.560 25.348 -24.350 242 HA LEU 31 HA LEU 31 -15.026 23.903 -25.044 243 HB2 LEU 31 HB2 LEU 31 -13.189 23.460 -22.719 244 HB3 LEU 31 HB3 LEU 31 -14.901 23.058 -22.606 245 HG LEU 31 HG LEU 31 -13.687 21.063 -23.112 246 HD11 LEU 31 HD11 LEU 31 -15.265 20.385 -24.516 247 HD12 LEU 31 HD12 LEU 31 -14.600 21.358 -25.827 248 HD13 LEU 31 HD13 LEU 31 -15.748 22.072 -24.696 249 HD21 LEU 31 HD21 LEU 31 -12.676 22.070 -25.711 250 HD22 LEU 31 HD22 LEU 31 -12.005 20.852 -24.627 251 HD23 LEU 31 HD23 LEU 31 -11.816 22.564 -24.252 252 H THR 32 H THR 32 -16.871 24.808 -24.328 253 HA THR 32 HA THR 32 -16.768 27.435 -23.200 254 HB THR 32 HB THR 32 -19.104 27.539 -23.498 255 HG1 THR 32 HG1 THR 32 -19.069 24.687 -23.580 256 HG21 THR 32 HG21 THR 32 -17.568 27.057 -25.579 257 HG22 THR 32 HG22 THR 32 -19.321 27.130 -25.753 258 HG23 THR 32 HG23 THR 32 -18.508 25.568 -25.657 259 H ALA 33 H ALA 33 -18.433 27.925 -21.370 260 HA ALA 33 HA ALA 33 -17.454 27.022 -18.971 261 HB1 ALA 33 HB1 ALA 33 -19.365 28.831 -19.736 262 HB2 ALA 33 HB2 ALA 33 -20.303 27.639 -18.833 263 HB3 ALA 33 HB3 ALA 33 -18.929 28.441 -18.070 264 H GLU 34 H GLU 34 -20.418 25.876 -20.591 265 HA GLU 34 HA GLU 34 -21.141 23.932 -18.745 266 HB2 GLU 34 HB2 GLU 34 -22.055 24.778 -21.232 267 HB3 GLU 34 HB3 GLU 34 -21.643 23.087 -21.482 268 HG2 GLU 34 HG2 GLU 34 -23.110 22.406 -19.711 269 HG3 GLU 34 HG3 GLU 34 -23.429 24.085 -19.277 270 H GLU 35 H GLU 35 -19.090 23.602 -21.631 271 HA GLU 35 HA GLU 35 -18.562 20.866 -21.378 272 HB2 GLU 35 HB2 GLU 35 -16.896 23.072 -22.594 273 HB3 GLU 35 HB3 GLU 35 -16.530 21.360 -22.761 274 HG2 GLU 35 HG2 GLU 35 -19.266 21.966 -23.491 275 HG3 GLU 35 HG3 GLU 35 -18.100 22.884 -24.442 276 H LEU 36 H LEU 36 -16.743 23.673 -20.179 277 HA LEU 36 HA LEU 36 -14.610 22.297 -19.028 278 HB2 LEU 36 HB2 LEU 36 -14.435 24.636 -19.256 279 HB3 LEU 36 HB3 LEU 36 -15.927 24.911 -18.358 280 HG LEU 36 HG LEU 36 -14.709 24.022 -16.323 281 HD11 LEU 36 HD11 LEU 36 -12.097 24.677 -16.966 282 HD12 LEU 36 HD12 LEU 36 -12.646 23.700 -18.327 283 HD13 LEU 36 HD13 LEU 36 -12.740 23.059 -16.687 284 HD21 LEU 36 HD21 LEU 36 -13.870 26.567 -17.690 285 HD22 LEU 36 HD22 LEU 36 -13.423 26.172 -16.031 286 HD23 LEU 36 HD23 LEU 36 -15.123 26.349 -16.468 287 H GLY 37 H GLY 37 -17.799 23.083 -17.725 288 HA2 GLY 37 HA2 GLY 37 -17.368 22.306 -15.069 289 HA3 GLY 37 HA3 GLY 37 -18.924 22.297 -15.885 290 H THR 38 H THR 38 -18.045 20.392 -17.925 291 HA THR 38 HA THR 38 -18.710 17.996 -16.538 292 HB THR 38 HB THR 38 -17.742 18.390 -19.376 293 HG1 THR 38 HG1 THR 38 -19.994 18.168 -19.830 294 HG21 THR 38 HG21 THR 38 -17.444 16.157 -19.287 295 HG22 THR 38 HG22 THR 38 -19.203 16.098 -19.387 296 HG23 THR 38 HG23 THR 38 -18.405 15.984 -17.819 297 H VAL 39 H VAL 39 -15.740 19.174 -18.092 298 HA VAL 39 HA VAL 39 -14.207 16.863 -17.417 299 HB VAL 39 HB VAL 39 -13.565 18.247 -19.311 300 HG11 VAL 39 HG11 VAL 39 -12.613 20.480 -18.990 301 HG12 VAL 39 HG12 VAL 39 -14.294 20.412 -18.459 302 HG13 VAL 39 HG13 VAL 39 -12.991 20.393 -17.270 303 HG21 VAL 39 HG21 VAL 39 -11.159 18.527 -18.778 304 HG22 VAL 39 HG22 VAL 39 -11.538 18.245 -17.078 305 HG23 VAL 39 HG23 VAL 39 -11.808 16.969 -18.265 306 H MET 40 H MET 40 -14.791 19.980 -15.911 307 HA MET 40 HA MET 40 -12.731 19.763 -13.958 308 HB2 MET 40 HB2 MET 40 -14.062 21.856 -14.779 309 HB3 MET 40 HB3 MET 40 -15.214 21.388 -13.536 310 HG2 MET 40 HG2 MET 40 -13.872 22.037 -11.857 311 HG3 MET 40 HG3 MET 40 -12.408 21.499 -12.675 312 HE1 MET 40 HE1 MET 40 -10.816 22.714 -13.339 313 HE2 MET 40 HE2 MET 40 -11.249 23.473 -14.871 314 HE3 MET 40 HE3 MET 40 -10.708 24.466 -13.518 315 H ARG 41 H ARG 41 -16.091 18.781 -14.118 316 HA ARG 41 HA ARG 41 -16.444 18.229 -11.366 317 HB2 ARG 41 HB2 ARG 41 -17.861 17.478 -13.884 318 HB3 ARG 41 HB3 ARG 41 -18.234 16.585 -12.416 319 HG2 ARG 41 HG2 ARG 41 -19.138 18.435 -11.363 320 HG3 ARG 41 HG3 ARG 41 -18.286 19.571 -12.410 321 HD2 ARG 41 HD2 ARG 41 -20.478 19.679 -13.178 322 HD3 ARG 41 HD3 ARG 41 -19.708 18.560 -14.303 323 HE ARG 41 HE ARG 41 -21.122 16.931 -13.564 324 HH11 ARG 41 HH11 ARG 41 -21.010 19.470 -11.185 325 HH12 ARG 41 HH12 ARG 41 -22.250 18.775 -10.195 326 HH21 ARG 41 HH21 ARG 41 -22.756 16.006 -12.269 327 HH22 ARG 41 HH22 ARG 41 -23.242 16.804 -10.811 328 H ALA 42 H ALA 42 -15.131 16.384 -14.038 329 HA ALA 42 HA ALA 42 -15.166 13.827 -12.914 330 HB1 ALA 42 HB1 ALA 42 -13.757 13.184 -14.625 331 HB2 ALA 42 HB2 ALA 42 -14.510 14.631 -15.298 332 HB3 ALA 42 HB3 ALA 42 -12.883 14.717 -14.623 333 H LEU 43 H LEU 43 -13.264 16.583 -12.134 334 HA LEU 43 HA LEU 43 -11.441 14.928 -10.522 335 HB2 LEU 43 HB2 LEU 43 -10.991 17.138 -12.234 336 HB3 LEU 43 HB3 LEU 43 -10.648 17.667 -10.588 337 HG LEU 43 HG LEU 43 -9.117 15.666 -10.395 338 HD11 LEU 43 HD11 LEU 43 -8.797 14.243 -12.083 339 HD12 LEU 43 HD12 LEU 43 -8.737 15.536 -13.281 340 HD13 LEU 43 HD13 LEU 43 -10.293 14.898 -12.751 341 HD21 LEU 43 HD21 LEU 43 -8.516 18.116 -10.971 342 HD22 LEU 43 HD22 LEU 43 -8.215 17.488 -12.591 343 HD23 LEU 43 HD23 LEU 43 -7.307 16.856 -11.217 344 H GLY 44 H GLY 44 -13.901 17.359 -10.419 345 HA2 GLY 44 HA2 GLY 44 -13.613 17.452 -7.479 346 HA3 GLY 44 HA3 GLY 44 -14.019 18.883 -8.416 347 H ALA 45 H ALA 45 -16.081 18.998 -9.440 348 HA ALA 45 HA ALA 45 -18.341 18.746 -9.545 349 HB1 ALA 45 HB1 ALA 45 -18.538 16.703 -10.433 350 HB2 ALA 45 HB2 ALA 45 -17.320 16.014 -9.360 351 HB3 ALA 45 HB3 ALA 45 -18.983 16.196 -8.803 352 H ASN 46 H ASN 46 -16.777 19.177 -6.917 353 HA ASN 46 HA ASN 46 -18.422 18.160 -4.835 354 HB2 ASN 46 HB2 ASN 46 -16.026 19.714 -5.053 355 HB3 ASN 46 HB3 ASN 46 -17.136 20.532 -3.957 356 HD21 ASN 46 HD21 ASN 46 -14.579 18.976 -3.605 357 HD22 ASN 46 HD22 ASN 46 -14.945 17.836 -2.359 358 HA PRO 47 HA PRO 47 -20.327 22.593 -4.715 359 HB2 PRO 47 HB2 PRO 47 -19.687 24.289 -6.735 360 HB3 PRO 47 HB3 PRO 47 -18.744 24.171 -5.244 361 HG2 PRO 47 HG2 PRO 47 -18.218 22.937 -7.920 362 HG3 PRO 47 HG3 PRO 47 -17.083 23.727 -6.809 363 HD2 PRO 47 HD2 PRO 47 -17.301 21.034 -6.997 364 HD3 PRO 47 HD3 PRO 47 -16.886 21.854 -5.479 365 H THR 48 H THR 48 -21.721 24.027 -6.433 366 HA THR 48 HA THR 48 -23.207 22.021 -7.963 367 HB THR 48 HB THR 48 -24.342 24.728 -7.781 368 HG1 THR 48 HG1 THR 48 -24.978 24.109 -5.492 369 HG21 THR 48 HG21 THR 48 -25.268 21.900 -7.408 370 HG22 THR 48 HG22 THR 48 -25.793 23.093 -8.595 371 HG23 THR 48 HG23 THR 48 -26.280 23.255 -6.908 372 H LYS 49 H LYS 49 -24.185 22.734 -10.040 373 HA LYS 49 HA LYS 49 -22.203 23.559 -11.853 374 HB2 LYS 49 HB2 LYS 49 -24.727 22.413 -12.026 375 HB3 LYS 49 HB3 LYS 49 -24.920 23.969 -12.824 376 HG2 LYS 49 HG2 LYS 49 -23.401 23.454 -14.488 377 HG3 LYS 49 HG3 LYS 49 -22.615 22.202 -13.523 378 HD2 LYS 49 HD2 LYS 49 -24.175 20.625 -14.049 379 HD3 LYS 49 HD3 LYS 49 -25.477 21.808 -14.200 380 HE2 LYS 49 HE2 LYS 49 -23.339 22.063 -16.195 381 HE3 LYS 49 HE3 LYS 49 -24.257 20.562 -16.287 382 HZ1 LYS 49 HZ1 LYS 49 -26.128 21.637 -16.911 383 HZ2 LYS 49 HZ2 LYS 49 -25.023 22.782 -17.489 384 HZ3 LYS 49 HZ3 LYS 49 -25.790 23.023 -16.001 385 H GLN 50 H GLN 50 -24.835 25.307 -10.291 386 HA GLN 50 HA GLN 50 -24.556 27.697 -11.794 387 HB2 GLN 50 HB2 GLN 50 -26.277 26.726 -9.793 388 HB3 GLN 50 HB3 GLN 50 -25.548 28.182 -9.131 389 HG2 GLN 50 HG2 GLN 50 -26.378 28.585 -11.862 390 HG3 GLN 50 HG3 GLN 50 -27.715 28.019 -10.861 391 HE21 GLN 50 HE21 GLN 50 -28.831 29.915 -10.805 392 HE22 GLN 50 HE22 GLN 50 -28.256 31.342 -10.020 393 H LYS 51 H LYS 51 -23.052 26.471 -8.877 394 HA LYS 51 HA LYS 51 -21.832 28.939 -8.119 395 HB2 LYS 51 HB2 LYS 51 -20.876 26.187 -7.345 396 HB3 LYS 51 HB3 LYS 51 -20.693 27.691 -6.449 397 HG2 LYS 51 HG2 LYS 51 -23.168 27.739 -6.163 398 HG3 LYS 51 HG3 LYS 51 -23.228 26.133 -6.895 399 HD2 LYS 51 HD2 LYS 51 -23.198 25.674 -4.615 400 HD3 LYS 51 HD3 LYS 51 -21.506 25.491 -5.082 401 HE2 LYS 51 HE2 LYS 51 -21.038 27.752 -4.288 402 HE3 LYS 51 HE3 LYS 51 -22.734 27.957 -3.848 403 HZ1 LYS 51 HZ1 LYS 51 -20.678 26.278 -2.573 404 HZ2 LYS 51 HZ2 LYS 51 -22.311 25.861 -2.427 405 HZ3 LYS 51 HZ3 LYS 51 -21.769 27.359 -1.863 406 H ILE 52 H ILE 52 -20.663 26.016 -9.768 407 HA ILE 52 HA ILE 52 -18.020 26.960 -10.153 408 HB ILE 52 HB ILE 52 -18.578 24.576 -10.274 409 HG12 ILE 52 HG12 ILE 52 -17.508 25.597 -12.912 410 HG13 ILE 52 HG13 ILE 52 -16.565 25.489 -11.430 411 HG21 ILE 52 HG21 ILE 52 -19.909 25.204 -12.904 412 HG22 ILE 52 HG22 ILE 52 -19.769 23.627 -12.129 413 HG23 ILE 52 HG23 ILE 52 -20.772 24.881 -11.401 414 HD11 ILE 52 HD11 ILE 52 -15.948 23.541 -12.399 415 HD12 ILE 52 HD12 ILE 52 -17.382 22.973 -11.545 416 HD13 ILE 52 HD13 ILE 52 -17.472 23.355 -13.265 417 H SER 53 H SER 53 -20.976 27.221 -12.027 418 HA SER 53 HA SER 53 -19.780 28.170 -14.418 419 HB2 SER 53 HB2 SER 53 -22.080 28.907 -15.003 420 HB3 SER 53 HB3 SER 53 -22.028 27.237 -14.439 421 HG SER 53 HG SER 53 -23.731 28.558 -13.512 422 H GLU 54 H GLU 54 -20.818 29.702 -11.457 423 HA GLU 54 HA GLU 54 -20.756 32.376 -12.458 424 HB2 GLU 54 HB2 GLU 54 -21.946 31.427 -10.348 425 HB3 GLU 54 HB3 GLU 54 -20.393 31.674 -9.563 426 HG2 GLU 54 HG2 GLU 54 -21.123 34.025 -11.021 427 HG3 GLU 54 HG3 GLU 54 -22.443 33.541 -9.959 428 H ILE 55 H ILE 55 -18.446 30.253 -10.873 429 HA ILE 55 HA ILE 55 -16.469 32.281 -10.467 430 HB ILE 55 HB ILE 55 -16.171 29.275 -10.480 431 HG12 ILE 55 HG12 ILE 55 -17.744 30.132 -8.772 432 HG13 ILE 55 HG13 ILE 55 -16.293 29.443 -8.052 433 HG21 ILE 55 HG21 ILE 55 -14.038 30.336 -10.851 434 HG22 ILE 55 HG22 ILE 55 -14.315 31.439 -9.505 435 HG23 ILE 55 HG23 ILE 55 -14.101 29.716 -9.201 436 HD11 ILE 55 HD11 ILE 55 -15.393 31.680 -7.718 437 HD12 ILE 55 HD12 ILE 55 -16.839 32.375 -8.451 438 HD13 ILE 55 HD13 ILE 55 -16.959 31.490 -6.930 439 H VAL 56 H VAL 56 -17.150 29.903 -12.966 440 HA VAL 56 HA VAL 56 -14.707 30.271 -14.392 441 HB VAL 56 HB VAL 56 -17.352 29.154 -15.335 442 HG11 VAL 56 HG11 VAL 56 -16.015 29.897 -17.217 443 HG12 VAL 56 HG12 VAL 56 -14.614 29.020 -16.597 444 HG13 VAL 56 HG13 VAL 56 -16.037 28.135 -17.148 445 HG21 VAL 56 HG21 VAL 56 -14.979 27.453 -14.806 446 HG22 VAL 56 HG22 VAL 56 -15.860 28.084 -13.414 447 HG23 VAL 56 HG23 VAL 56 -16.695 27.096 -14.613 448 H LYS 57 H LYS 57 -17.984 31.574 -14.726 449 HA LYS 57 HA LYS 57 -17.386 33.103 -17.063 450 HB2 LYS 57 HB2 LYS 57 -19.582 33.978 -16.871 451 HB3 LYS 57 HB3 LYS 57 -19.679 32.303 -16.346 452 HG2 LYS 57 HG2 LYS 57 -20.766 33.098 -14.575 453 HG3 LYS 57 HG3 LYS 57 -19.183 33.629 -14.001 454 HD2 LYS 57 HD2 LYS 57 -19.778 35.700 -15.585 455 HD3 LYS 57 HD3 LYS 57 -21.415 35.196 -15.158 456 HE2 LYS 57 HE2 LYS 57 -20.587 35.198 -12.739 457 HE3 LYS 57 HE3 LYS 57 -19.194 36.093 -13.345 458 HZ1 LYS 57 HZ1 LYS 57 -20.446 37.892 -13.044 459 HZ2 LYS 57 HZ2 LYS 57 -21.869 36.995 -12.862 460 HZ3 LYS 57 HZ3 LYS 57 -21.322 37.409 -14.409 461 H ASP 58 H ASP 58 -17.011 33.592 -13.669 462 HA ASP 58 HA ASP 58 -16.712 36.475 -13.931 463 HB2 ASP 58 HB2 ASP 58 -17.819 35.422 -11.937 464 HB3 ASP 58 HB3 ASP 58 -16.252 34.756 -11.487 465 H TYR 59 H TYR 59 -14.760 33.615 -13.769 466 HA TYR 59 HA TYR 59 -12.318 35.079 -13.217 467 HB2 TYR 59 HB2 TYR 59 -12.751 32.762 -12.340 468 HB3 TYR 59 HB3 TYR 59 -12.619 32.173 -13.993 469 HD1 TYR 59 HD1 TYR 59 -10.710 34.135 -11.456 470 HD2 TYR 59 HD2 TYR 59 -10.548 31.495 -14.790 471 HE1 TYR 59 HE1 TYR 59 -8.271 33.956 -11.189 472 HE2 TYR 59 HE2 TYR 59 -8.110 31.308 -14.530 473 HH TYR 59 HH TYR 59 -6.363 31.748 -13.174 474 H ASP 60 H ASP 60 -14.031 33.752 -15.943 475 HA ASP 60 HA ASP 60 -11.785 34.406 -17.718 476 HB2 ASP 60 HB2 ASP 60 -14.251 32.715 -18.156 477 HB3 ASP 60 HB3 ASP 60 -13.106 33.121 -19.432 478 H LYS 61 H LYS 61 -12.569 36.699 -17.070 479 HA LYS 61 HA LYS 61 -14.683 37.562 -18.931 480 HB2 LYS 61 HB2 LYS 61 -15.075 39.450 -17.519 481 HB3 LYS 61 HB3 LYS 61 -15.036 38.025 -16.488 482 HG2 LYS 61 HG2 LYS 61 -12.577 38.617 -16.088 483 HG3 LYS 61 HG3 LYS 61 -12.989 40.192 -16.770 484 HD2 LYS 61 HD2 LYS 61 -14.232 40.793 -14.969 485 HD3 LYS 61 HD3 LYS 61 -14.793 39.146 -14.671 486 HE2 LYS 61 HE2 LYS 61 -12.652 38.563 -13.698 487 HE3 LYS 61 HE3 LYS 61 -12.016 40.164 -14.076 488 HZ1 LYS 61 HZ1 LYS 61 -14.332 40.575 -12.627 489 HZ2 LYS 61 HZ2 LYS 61 -12.741 40.813 -12.103 490 HZ3 LYS 61 HZ3 LYS 61 -13.512 39.333 -11.824 491 H ASP 62 H ASP 62 -11.346 37.760 -18.173 492 HA ASP 62 HA ASP 62 -10.908 40.165 -19.746 493 HB2 ASP 62 HB2 ASP 62 -8.708 40.143 -18.959 494 HB3 ASP 62 HB3 ASP 62 -9.619 39.474 -17.608 495 H ASN 63 H ASN 63 -11.702 37.225 -20.637 496 HA ASN 63 HA ASN 63 -10.067 37.337 -23.065 497 HB2 ASN 63 HB2 ASN 63 -10.065 35.201 -21.064 498 HB3 ASN 63 HB3 ASN 63 -10.400 34.622 -22.693 499 HD21 ASN 63 HD21 ASN 63 -8.419 33.524 -22.710 500 HD22 ASN 63 HD22 ASN 63 -6.926 34.361 -22.944 501 H SER 64 H SER 64 -12.474 35.042 -21.805 502 HA SER 64 HA SER 64 -14.663 35.992 -23.271 503 HB2 SER 64 HB2 SER 64 -12.900 34.991 -25.038 504 HB3 SER 64 HB3 SER 64 -13.756 33.507 -24.622 505 HG SER 64 HG SER 64 -14.550 35.525 -26.201 506 H GLY 65 H GLY 65 -16.076 33.731 -23.846 507 HA2 GLY 65 HA2 GLY 65 -16.396 32.580 -21.169 508 HA3 GLY 65 HA3 GLY 65 -17.598 32.564 -22.451 509 H LYS 66 H LYS 66 -14.361 31.721 -23.277 510 HA LYS 66 HA LYS 66 -15.128 28.876 -23.332 511 HB2 LYS 66 HB2 LYS 66 -13.850 30.609 -25.386 512 HB3 LYS 66 HB3 LYS 66 -13.305 28.941 -25.279 513 HG2 LYS 66 HG2 LYS 66 -14.971 28.698 -26.802 514 HG3 LYS 66 HG3 LYS 66 -15.900 28.460 -25.320 515 HD2 LYS 66 HD2 LYS 66 -16.463 30.891 -25.369 516 HD3 LYS 66 HD3 LYS 66 -15.674 30.991 -26.945 517 HE2 LYS 66 HE2 LYS 66 -18.105 29.372 -26.205 518 HE3 LYS 66 HE3 LYS 66 -18.027 30.748 -27.303 519 HZ1 LYS 66 HZ1 LYS 66 -18.021 28.980 -28.745 520 HZ2 LYS 66 HZ2 LYS 66 -17.111 27.986 -27.722 521 HZ3 LYS 66 HZ3 LYS 66 -16.360 29.244 -28.567 522 H PHE 67 H PHE 67 -13.205 27.389 -23.411 523 HA PHE 67 HA PHE 67 -11.034 28.446 -21.720 524 HB2 PHE 67 HB2 PHE 67 -12.836 26.237 -21.276 525 HB3 PHE 67 HB3 PHE 67 -11.172 25.661 -21.336 526 HD1 PHE 67 HD1 PHE 67 -13.032 28.556 -19.880 527 HD2 PHE 67 HD2 PHE 67 -10.105 25.516 -19.321 528 HE1 PHE 67 HE1 PHE 67 -12.692 29.314 -17.563 529 HE2 PHE 67 HE2 PHE 67 -9.762 26.268 -17.004 530 HZ PHE 67 HZ PHE 67 -11.057 28.168 -16.121 531 H ASP 68 H ASP 68 -8.976 28.019 -22.308 532 HA ASP 68 HA ASP 68 -8.597 26.426 -24.756 533 HB2 ASP 68 HB2 ASP 68 -8.002 28.694 -25.194 534 HB3 ASP 68 HB3 ASP 68 -7.088 28.814 -23.693 535 H GLN 69 H GLN 69 -7.139 24.793 -24.785 536 HA GLN 69 HA GLN 69 -6.421 23.447 -22.505 537 HB2 GLN 69 HB2 GLN 69 -5.332 23.453 -25.291 538 HB3 GLN 69 HB3 GLN 69 -4.504 22.523 -24.049 539 HG2 GLN 69 HG2 GLN 69 -6.254 21.343 -25.496 540 HG3 GLN 69 HG3 GLN 69 -6.290 21.080 -23.753 541 HE21 GLN 69 HE21 GLN 69 -7.688 23.105 -26.292 542 HE22 GLN 69 HE22 GLN 69 -9.244 23.259 -25.557 543 H GLU 70 H GLU 70 -4.563 25.896 -24.252 544 HA GLU 70 HA GLU 70 -2.147 25.698 -22.902 545 HB2 GLU 70 HB2 GLU 70 -3.048 27.278 -24.876 546 HB3 GLU 70 HB3 GLU 70 -3.119 28.428 -23.549 547 HG2 GLU 70 HG2 GLU 70 -0.796 28.236 -23.139 548 HG3 GLU 70 HG3 GLU 70 -0.656 26.842 -24.207 549 H THR 71 H THR 71 -5.114 27.357 -21.981 550 HA THR 71 HA THR 71 -4.091 28.765 -19.767 551 HB THR 71 HB THR 71 -6.900 27.753 -20.246 552 HG1 THR 71 HG1 THR 71 -5.755 30.327 -20.687 553 HG21 THR 71 HG21 THR 71 -6.838 28.255 -17.961 554 HG22 THR 71 HG22 THR 71 -7.426 29.743 -18.700 555 HG23 THR 71 HG23 THR 71 -5.742 29.616 -18.195 556 H PHE 72 H PHE 72 -5.632 25.577 -20.018 557 HA PHE 72 HA PHE 72 -5.571 25.007 -17.249 558 HB2 PHE 72 HB2 PHE 72 -6.691 23.814 -19.444 559 HB3 PHE 72 HB3 PHE 72 -5.390 22.693 -19.056 560 HD1 PHE 72 HD1 PHE 72 -5.229 21.988 -16.547 561 HD2 PHE 72 HD2 PHE 72 -8.718 23.598 -18.377 562 HE1 PHE 72 HE1 PHE 72 -6.615 20.991 -14.774 563 HE2 PHE 72 HE2 PHE 72 -10.109 22.606 -16.608 564 HZ PHE 72 HZ PHE 72 -9.057 21.301 -14.802 565 H LEU 73 H LEU 73 -3.345 24.287 -19.900 566 HA LEU 73 HA LEU 73 -1.567 22.677 -18.412 567 HB2 LEU 73 HB2 LEU 73 -1.704 23.831 -21.049 568 HB3 LEU 73 HB3 LEU 73 -0.074 23.972 -20.392 569 HG LEU 73 HG LEU 73 -1.251 21.307 -20.085 570 HD11 LEU 73 HD11 LEU 73 -0.393 21.905 -22.859 571 HD12 LEU 73 HD12 LEU 73 -2.027 22.368 -22.389 572 HD13 LEU 73 HD13 LEU 73 -1.515 20.686 -22.254 573 HD21 LEU 73 HD21 LEU 73 1.021 20.833 -21.254 574 HD22 LEU 73 HD22 LEU 73 1.003 21.430 -19.595 575 HD23 LEU 73 HD23 LEU 73 1.342 22.537 -20.926 576 H THR 74 H THR 74 -1.799 26.143 -18.922 577 HA THR 74 HA THR 74 0.727 26.792 -17.782 578 HB THR 74 HB THR 74 -1.728 28.531 -18.103 579 HG1 THR 74 HG1 THR 74 -1.114 28.706 -20.119 580 HG21 THR 74 HG21 THR 74 0.545 30.112 -18.237 581 HG22 THR 74 HG22 THR 74 0.875 29.007 -16.904 582 HG23 THR 74 HG23 THR 74 -0.576 30.009 -16.881 583 H ILE 75 H ILE 75 -2.564 26.582 -16.516 584 HA ILE 75 HA ILE 75 -1.996 27.636 -13.953 585 HB ILE 75 HB ILE 75 -4.193 25.745 -14.797 586 HG12 ILE 75 HG12 ILE 75 -4.611 28.646 -14.239 587 HG13 ILE 75 HG13 ILE 75 -3.874 28.195 -15.772 588 HG21 ILE 75 HG21 ILE 75 -4.484 25.522 -12.585 589 HG22 ILE 75 HG22 ILE 75 -3.471 26.916 -12.213 590 HG23 ILE 75 HG23 ILE 75 -5.158 27.150 -12.674 591 HD11 ILE 75 HD11 ILE 75 -6.268 28.467 -16.004 592 HD12 ILE 75 HD12 ILE 75 -5.804 26.787 -16.279 593 HD13 ILE 75 HD13 ILE 75 -6.543 27.259 -14.748 594 H MET 76 H MET 76 -2.261 24.291 -15.139 595 HA MET 76 HA MET 76 -1.628 23.084 -12.655 596 HB2 MET 76 HB2 MET 76 -1.240 21.038 -14.015 597 HB3 MET 76 HB3 MET 76 -2.784 21.813 -14.345 598 HG2 MET 76 HG2 MET 76 -2.171 21.493 -16.479 599 HG3 MET 76 HG3 MET 76 -1.285 22.993 -16.223 600 HE1 MET 76 HE1 MET 76 -1.468 19.984 -17.616 601 HE2 MET 76 HE2 MET 76 0.119 19.952 -18.387 602 HE3 MET 76 HE3 MET 76 -0.223 18.878 -17.029 603 H LEU 77 H LEU 77 0.290 24.436 -15.205 604 HA LEU 77 HA LEU 77 2.734 23.124 -14.470 605 HB2 LEU 77 HB2 LEU 77 1.929 25.261 -16.369 606 HB3 LEU 77 HB3 LEU 77 3.623 25.182 -15.890 607 HG LEU 77 HG LEU 77 2.064 22.960 -17.208 608 HD11 LEU 77 HD11 LEU 77 4.376 24.221 -18.530 609 HD12 LEU 77 HD12 LEU 77 2.911 25.197 -18.432 610 HD13 LEU 77 HD13 LEU 77 2.866 23.615 -19.209 611 HD21 LEU 77 HD21 LEU 77 4.346 22.819 -15.612 612 HD22 LEU 77 HD22 LEU 77 4.937 22.745 -17.271 613 HD23 LEU 77 HD23 LEU 77 3.735 21.583 -16.712 614 H GLU 78 H GLU 78 1.248 26.264 -13.831 615 HA GLU 78 HA GLU 78 3.500 27.314 -12.421 616 HB2 GLU 78 HB2 GLU 78 1.824 28.760 -13.508 617 HB3 GLU 78 HB3 GLU 78 0.608 28.196 -12.371 618 HG2 GLU 78 HG2 GLU 78 1.164 29.853 -11.025 619 HG3 GLU 78 HG3 GLU 78 2.747 29.106 -10.812 620 H TYR 79 H TYR 79 0.726 25.401 -11.570 621 HA TYR 79 HA TYR 79 1.042 25.827 -8.726 622 HB2 TYR 79 HB2 TYR 79 -1.014 24.862 -10.420 623 HB3 TYR 79 HB3 TYR 79 -0.600 23.553 -9.319 624 HD1 TYR 79 HD1 TYR 79 -0.701 23.973 -6.840 625 HD2 TYR 79 HD2 TYR 79 -2.259 26.730 -9.681 626 HE1 TYR 79 HE1 TYR 79 -2.039 25.032 -5.070 627 HE2 TYR 79 HE2 TYR 79 -3.601 27.798 -7.918 628 HH TYR 79 HH TYR 79 -3.101 27.219 -4.625 629 H GLY 80 H GLY 80 1.957 23.458 -11.131 630 HA2 GLY 80 HA2 GLY 80 2.599 21.305 -9.459 631 HA3 GLY 80 HA3 GLY 80 3.329 21.622 -11.025 632 H GLN 81 H GLN 81 4.302 24.278 -10.074 633 HA GLN 81 HA GLN 81 6.185 25.178 -9.170 634 HB2 GLN 81 HB2 GLN 81 6.119 22.915 -7.176 635 HB3 GLN 81 HB3 GLN 81 6.860 24.497 -6.978 636 HG2 GLN 81 HG2 GLN 81 4.186 25.024 -7.540 637 HG3 GLN 81 HG3 GLN 81 4.163 23.650 -6.437 638 HE21 GLN 81 HE21 GLN 81 5.884 23.953 -4.610 639 HE22 GLN 81 HE22 GLN 81 5.810 25.480 -3.806 640 H GLU 82 H GLU 82 6.268 22.964 -11.176 641 HA GLU 82 HA GLU 82 9.105 22.282 -10.812 642 HB2 GLU 82 HB2 GLU 82 6.887 20.448 -11.718 643 HB3 GLU 82 HB3 GLU 82 8.589 20.096 -11.986 644 HG2 GLU 82 HG2 GLU 82 8.919 20.268 -9.509 645 HG3 GLU 82 HG3 GLU 82 7.166 20.361 -9.352 646 H VAL 83 H VAL 83 10.343 22.167 -12.700 647 HA VAL 83 HA VAL 83 9.095 22.702 -15.263 648 HB VAL 83 HB VAL 83 10.649 24.661 -15.673 649 HG11 VAL 83 HG11 VAL 83 8.187 24.818 -15.261 650 HG12 VAL 83 HG12 VAL 83 8.552 25.139 -13.564 651 HG13 VAL 83 HG13 VAL 83 9.099 26.259 -14.813 652 HG21 VAL 83 HG21 VAL 83 11.488 25.888 -13.779 653 HG22 VAL 83 HG22 VAL 83 10.759 24.734 -12.661 654 HG23 VAL 83 HG23 VAL 83 12.094 24.233 -13.700 655 H ASP 84 H ASP 84 10.321 22.038 -16.978 656 HA ASP 84 HA ASP 84 12.886 20.765 -16.302 657 HB2 ASP 84 HB2 ASP 84 10.641 20.023 -18.064 658 HB3 ASP 84 HB3 ASP 84 12.241 19.752 -18.749 659 H SER 85 H SER 85 11.310 23.025 -18.447 660 HA SER 85 HA SER 85 13.679 24.395 -19.069 661 HB2 SER 85 HB2 SER 85 13.766 23.829 -21.534 662 HB3 SER 85 HB3 SER 85 14.315 22.548 -20.453 663 HG SER 85 HG SER 85 12.612 22.208 -22.288 Start of MODEL 9 1 H1 MET 1 H1 MET 1 4.697 15.201 -2.768 2 HA MET 1 HA MET 1 7.228 15.020 -3.248 3 HB2 MET 1 HB2 MET 1 6.965 17.502 -1.552 4 HB3 MET 1 HB3 MET 1 8.472 16.608 -1.706 5 HG2 MET 1 HG2 MET 1 6.991 17.654 -4.093 6 HG3 MET 1 HG3 MET 1 8.150 18.636 -3.199 7 HE1 MET 1 HE1 MET 1 10.940 18.111 -3.308 8 HE2 MET 1 HE2 MET 1 11.209 18.021 -5.048 9 HE3 MET 1 HE3 MET 1 10.002 19.131 -4.399 10 H SER 2 H SER 2 7.056 13.061 -2.284 11 HA SER 2 HA SER 2 7.590 12.883 0.513 12 HB2 SER 2 HB2 SER 2 5.381 11.253 0.551 13 HB3 SER 2 HB3 SER 2 5.440 12.887 1.208 14 HG SER 2 HG SER 2 3.725 12.281 -0.418 15 H GLU 3 H GLU 3 6.145 10.978 -2.135 16 HA GLU 3 HA GLU 3 8.412 9.168 -2.077 17 HB2 GLU 3 HB2 GLU 3 5.701 8.440 -1.102 18 HB3 GLU 3 HB3 GLU 3 6.537 7.258 -2.098 19 HG2 GLU 3 HG2 GLU 3 8.474 8.006 -0.314 20 HG3 GLU 3 HG3 GLU 3 7.009 8.054 0.663 21 H GLN 4 H GLN 4 5.199 9.843 -3.418 22 HA GLN 4 HA GLN 4 6.285 9.453 -6.098 23 HB2 GLN 4 HB2 GLN 4 3.765 8.076 -5.153 24 HB3 GLN 4 HB3 GLN 4 4.412 8.041 -6.788 25 HG2 GLN 4 HG2 GLN 4 6.511 7.027 -5.707 26 HG3 GLN 4 HG3 GLN 4 5.468 6.725 -4.320 27 HE21 GLN 4 HE21 GLN 4 6.713 5.350 -6.984 28 HE22 GLN 4 HE22 GLN 4 5.506 4.158 -7.308 29 H LYS 5 H LYS 5 5.331 10.709 -7.656 30 HA LYS 5 HA LYS 5 3.285 12.597 -6.692 31 HB2 LYS 5 HB2 LYS 5 5.581 13.475 -7.361 32 HB3 LYS 5 HB3 LYS 5 5.160 13.042 -9.013 33 HG2 LYS 5 HG2 LYS 5 3.534 14.675 -9.169 34 HG3 LYS 5 HG3 LYS 5 3.341 14.793 -7.418 35 HD2 LYS 5 HD2 LYS 5 5.931 15.548 -8.720 36 HD3 LYS 5 HD3 LYS 5 4.582 16.684 -8.682 37 HE2 LYS 5 HE2 LYS 5 5.671 15.323 -6.227 38 HE3 LYS 5 HE3 LYS 5 6.246 16.888 -6.797 39 HZ1 LYS 5 HZ1 LYS 5 4.520 17.874 -5.853 40 HZ2 LYS 5 HZ2 LYS 5 4.064 16.394 -5.174 41 HZ3 LYS 5 HZ3 LYS 5 3.422 16.874 -6.662 42 H LYS 6 H LYS 6 1.335 12.017 -7.391 43 HA LYS 6 HA LYS 6 1.050 10.756 -10.015 44 HB2 LYS 6 HB2 LYS 6 -1.102 11.179 -7.943 45 HB3 LYS 6 HB3 LYS 6 -1.133 10.074 -9.311 46 HG2 LYS 6 HG2 LYS 6 0.631 9.864 -6.879 47 HG3 LYS 6 HG3 LYS 6 -0.765 8.855 -7.263 48 HD2 LYS 6 HD2 LYS 6 1.746 9.054 -8.925 49 HD3 LYS 6 HD3 LYS 6 1.380 7.753 -7.789 50 HE2 LYS 6 HE2 LYS 6 -0.846 8.082 -9.530 51 HE3 LYS 6 HE3 LYS 6 0.616 7.996 -10.511 52 HZ1 LYS 6 HZ1 LYS 6 -0.720 5.867 -9.546 53 HZ2 LYS 6 HZ2 LYS 6 0.505 6.046 -8.393 54 HZ3 LYS 6 HZ3 LYS 6 0.903 5.849 -10.025 55 H VAL 7 H VAL 7 1.671 13.579 -9.793 56 HA VAL 7 HA VAL 7 -0.546 14.597 -11.387 57 HB VAL 7 HB VAL 7 -0.474 16.790 -10.146 58 HG11 VAL 7 HG11 VAL 7 -2.121 14.744 -9.847 59 HG12 VAL 7 HG12 VAL 7 -1.425 14.730 -8.225 60 HG13 VAL 7 HG13 VAL 7 -2.235 16.177 -8.826 61 HG21 VAL 7 HG21 VAL 7 1.029 15.101 -8.152 62 HG22 VAL 7 HG22 VAL 7 1.582 16.576 -8.946 63 HG23 VAL 7 HG23 VAL 7 0.275 16.648 -7.763 64 H LEU 8 H LEU 8 0.015 16.589 -12.544 65 HA LEU 8 HA LEU 8 1.377 17.749 -13.947 66 HB2 LEU 8 HB2 LEU 8 2.125 18.628 -11.728 67 HB3 LEU 8 HB3 LEU 8 3.434 17.448 -11.767 68 HG LEU 8 HG LEU 8 3.846 18.711 -14.121 69 HD11 LEU 8 HD11 LEU 8 2.945 20.734 -14.256 70 HD12 LEU 8 HD12 LEU 8 3.507 21.153 -12.638 71 HD13 LEU 8 HD13 LEU 8 1.960 20.333 -12.849 72 HD21 LEU 8 HD21 LEU 8 5.239 18.320 -11.876 73 HD22 LEU 8 HD22 LEU 8 4.977 20.059 -11.740 74 HD23 LEU 8 HD23 LEU 8 5.783 19.398 -13.163 75 H THR 9 H THR 9 1.244 15.072 -14.515 76 HA THR 9 HA THR 9 3.987 14.489 -15.425 77 HB THR 9 HB THR 9 3.045 12.026 -15.449 78 HG1 THR 9 HG1 THR 9 1.691 11.814 -13.490 79 HG21 THR 9 HG21 THR 9 3.656 12.168 -12.783 80 HG22 THR 9 HG22 THR 9 4.409 13.632 -13.414 81 HG23 THR 9 HG23 THR 9 4.835 12.061 -14.090 82 H ALA 10 H ALA 10 3.974 12.936 -17.336 83 HA ALA 10 HA ALA 10 2.740 14.098 -19.521 84 HB1 ALA 10 HB1 ALA 10 3.445 11.183 -19.484 85 HB2 ALA 10 HB2 ALA 10 3.581 12.341 -20.807 86 HB3 ALA 10 HB3 ALA 10 4.688 12.434 -19.438 87 H GLU 11 H GLU 11 1.662 11.357 -17.559 88 HA GLU 11 HA GLU 11 -0.498 10.526 -19.102 89 HB2 GLU 11 HB2 GLU 11 -0.013 10.470 -16.130 90 HB3 GLU 11 HB3 GLU 11 -1.468 9.791 -16.844 91 HG2 GLU 11 HG2 GLU 11 -0.209 8.192 -18.080 92 HG3 GLU 11 HG3 GLU 11 1.311 8.965 -17.635 93 H GLU 12 H GLU 12 -0.254 13.144 -16.757 94 HA GLU 12 HA GLU 12 -3.013 13.758 -16.645 95 HB2 GLU 12 HB2 GLU 12 -1.601 14.573 -14.903 96 HB3 GLU 12 HB3 GLU 12 -0.545 15.387 -16.050 97 HG2 GLU 12 HG2 GLU 12 -1.879 17.187 -16.211 98 HG3 GLU 12 HG3 GLU 12 -3.358 16.236 -16.104 99 H GLN 13 H GLN 13 -0.355 15.018 -18.620 100 HA GLN 13 HA GLN 13 -1.794 17.034 -19.933 101 HB2 GLN 13 HB2 GLN 13 0.781 16.388 -19.906 102 HB3 GLN 13 HB3 GLN 13 0.345 15.562 -21.396 103 HG2 GLN 13 HG2 GLN 13 -0.028 17.493 -22.527 104 HG3 GLN 13 HG3 GLN 13 -0.544 18.368 -21.087 105 HE21 GLN 13 HE21 GLN 13 1.820 18.137 -23.338 106 HE22 GLN 13 HE22 GLN 13 3.132 18.845 -22.463 107 H GLN 14 H GLN 14 -1.061 13.711 -20.989 108 HA GLN 14 HA GLN 14 -2.506 13.813 -23.388 109 HB2 GLN 14 HB2 GLN 14 -2.452 11.347 -23.304 110 HB3 GLN 14 HB3 GLN 14 -0.883 12.060 -22.956 111 HG2 GLN 14 HG2 GLN 14 -1.323 11.746 -20.543 112 HG3 GLN 14 HG3 GLN 14 -2.826 10.923 -20.961 113 HE21 GLN 14 HE21 GLN 14 -2.387 8.910 -20.277 114 HE22 GLN 14 HE22 GLN 14 -1.096 7.929 -20.875 115 H GLU 15 H GLU 15 -3.475 12.863 -20.123 116 HA GLU 15 HA GLU 15 -6.030 11.896 -20.733 117 HB2 GLU 15 HB2 GLU 15 -4.717 12.978 -18.283 118 HB3 GLU 15 HB3 GLU 15 -6.465 12.795 -18.274 119 HG2 GLU 15 HG2 GLU 15 -4.517 10.589 -18.902 120 HG3 GLU 15 HG3 GLU 15 -5.262 10.860 -17.327 121 H TYR 16 H TYR 16 -4.939 15.163 -19.894 122 HA TYR 16 HA TYR 16 -7.548 16.312 -20.005 123 HB2 TYR 16 HB2 TYR 16 -5.438 17.196 -18.796 124 HB3 TYR 16 HB3 TYR 16 -4.999 17.868 -20.362 125 HD1 TYR 16 HD1 TYR 16 -7.595 17.923 -17.719 126 HD2 TYR 16 HD2 TYR 16 -5.990 19.863 -21.149 127 HE1 TYR 16 HE1 TYR 16 -9.012 19.882 -17.266 128 HE2 TYR 16 HE2 TYR 16 -7.402 21.828 -20.705 129 HH TYR 16 HH TYR 16 -9.298 22.104 -17.773 130 H LYS 17 H LYS 17 -4.841 16.074 -22.264 131 HA LYS 17 HA LYS 17 -5.796 17.747 -24.277 132 HB2 LYS 17 HB2 LYS 17 -4.070 15.277 -24.395 133 HB3 LYS 17 HB3 LYS 17 -4.411 16.264 -25.810 134 HG2 LYS 17 HG2 LYS 17 -3.490 17.872 -23.592 135 HG3 LYS 17 HG3 LYS 17 -2.338 16.599 -24.005 136 HD2 LYS 17 HD2 LYS 17 -2.980 17.492 -26.471 137 HD3 LYS 17 HD3 LYS 17 -3.172 18.977 -25.537 138 HE2 LYS 17 HE2 LYS 17 -0.791 17.781 -24.643 139 HE3 LYS 17 HE3 LYS 17 -0.769 17.667 -26.402 140 HZ1 LYS 17 HZ1 LYS 17 -1.251 20.167 -24.874 141 HZ2 LYS 17 HZ2 LYS 17 -1.120 20.028 -26.555 142 HZ3 LYS 17 HZ3 LYS 17 0.226 19.732 -25.574 143 H GLU 18 H GLU 18 -6.382 14.295 -23.721 144 HA GLU 18 HA GLU 18 -8.027 13.994 -26.045 145 HB2 GLU 18 HB2 GLU 18 -8.463 11.766 -25.239 146 HB3 GLU 18 HB3 GLU 18 -6.757 12.124 -25.013 147 HG2 GLU 18 HG2 GLU 18 -7.079 12.493 -22.670 148 HG3 GLU 18 HG3 GLU 18 -8.828 12.355 -22.845 149 H ALA 19 H ALA 19 -8.562 14.769 -22.681 150 HA ALA 19 HA ALA 19 -11.321 14.278 -22.532 151 HB1 ALA 19 HB1 ALA 19 -11.314 15.745 -20.597 152 HB2 ALA 19 HB2 ALA 19 -9.907 14.683 -20.569 153 HB3 ALA 19 HB3 ALA 19 -9.730 16.370 -21.054 154 H PHE 20 H PHE 20 -9.577 17.304 -23.241 155 HA PHE 20 HA PHE 20 -11.979 18.740 -23.837 156 HB2 PHE 20 HB2 PHE 20 -10.649 20.592 -24.001 157 HB3 PHE 20 HB3 PHE 20 -9.545 19.558 -23.100 158 HD1 PHE 20 HD1 PHE 20 -10.293 21.042 -26.362 159 HD2 PHE 20 HD2 PHE 20 -7.568 18.655 -24.127 160 HE1 PHE 20 HE1 PHE 20 -8.616 21.289 -28.147 161 HE2 PHE 20 HE2 PHE 20 -5.888 18.900 -25.907 162 HZ PHE 20 HZ PHE 20 -6.411 20.218 -27.920 163 H GLN 21 H GLN 21 -9.600 16.960 -25.682 164 HA GLN 21 HA GLN 21 -10.333 17.910 -28.245 165 HB2 GLN 21 HB2 GLN 21 -8.217 16.847 -28.024 166 HB3 GLN 21 HB3 GLN 21 -8.936 15.405 -27.318 167 HG2 GLN 21 HG2 GLN 21 -10.018 14.908 -29.459 168 HG3 GLN 21 HG3 GLN 21 -9.259 16.337 -30.161 169 HE21 GLN 21 HE21 GLN 21 -8.304 14.913 -31.702 170 HE22 GLN 21 HE22 GLN 21 -6.893 14.003 -31.294 171 H LEU 22 H LEU 22 -11.317 15.068 -26.367 172 HA LEU 22 HA LEU 22 -13.028 13.994 -28.352 173 HB2 LEU 22 HB2 LEU 22 -12.105 12.708 -26.457 174 HB3 LEU 22 HB3 LEU 22 -13.139 13.624 -25.362 175 HG LEU 22 HG LEU 22 -14.507 12.199 -27.559 176 HD11 LEU 22 HD11 LEU 22 -14.400 10.186 -25.785 177 HD12 LEU 22 HD12 LEU 22 -12.774 10.841 -25.598 178 HD13 LEU 22 HD13 LEU 22 -13.334 10.310 -27.184 179 HD21 LEU 22 HD21 LEU 22 -16.246 12.527 -26.215 180 HD22 LEU 22 HD22 LEU 22 -15.180 13.446 -25.152 181 HD23 LEU 22 HD23 LEU 22 -15.429 11.723 -24.874 182 H PHE 23 H PHE 23 -13.468 16.356 -25.811 183 HA PHE 23 HA PHE 23 -16.342 16.424 -26.124 184 HB2 PHE 23 HB2 PHE 23 -14.719 17.032 -24.038 185 HB3 PHE 23 HB3 PHE 23 -14.998 18.639 -24.701 186 HD1 PHE 23 HD1 PHE 23 -17.466 19.284 -25.144 187 HD2 PHE 23 HD2 PHE 23 -16.254 16.105 -22.585 188 HE1 PHE 23 HE1 PHE 23 -19.643 19.378 -24.003 189 HE2 PHE 23 HE2 PHE 23 -18.431 16.194 -21.440 190 HZ PHE 23 HZ PHE 23 -20.127 17.832 -22.148 191 H ASP 24 H ASP 24 -13.654 17.834 -27.635 192 HA ASP 24 HA ASP 24 -15.401 19.554 -29.205 193 HB2 ASP 24 HB2 ASP 24 -14.456 20.911 -27.275 194 HB3 ASP 24 HB3 ASP 24 -12.872 20.686 -28.011 195 H LYS 25 H LYS 25 -14.663 17.475 -30.412 196 HA LYS 25 HA LYS 25 -12.010 17.693 -31.576 197 HB2 LYS 25 HB2 LYS 25 -13.496 15.536 -30.954 198 HB3 LYS 25 HB3 LYS 25 -13.961 15.728 -32.639 199 HG2 LYS 25 HG2 LYS 25 -11.100 15.944 -32.305 200 HG3 LYS 25 HG3 LYS 25 -11.720 14.421 -31.664 201 HD2 LYS 25 HD2 LYS 25 -12.349 15.489 -34.414 202 HD3 LYS 25 HD3 LYS 25 -11.067 14.326 -34.069 203 HE2 LYS 25 HE2 LYS 25 -14.022 13.949 -33.596 204 HE3 LYS 25 HE3 LYS 25 -13.047 13.168 -34.840 205 HZ1 LYS 25 HZ1 LYS 25 -13.125 11.564 -33.222 206 HZ2 LYS 25 HZ2 LYS 25 -13.105 12.672 -31.944 207 HZ3 LYS 25 HZ3 LYS 25 -11.687 12.350 -32.806 208 H ASP 26 H ASP 26 -15.132 18.821 -32.222 209 HA ASP 26 HA ASP 26 -15.407 18.746 -34.956 210 HB2 ASP 26 HB2 ASP 26 -16.107 20.964 -33.026 211 HB3 ASP 26 HB3 ASP 26 -16.621 20.942 -34.710 212 H ASN 27 H ASN 27 -14.392 21.795 -33.466 213 HA ASN 27 HA ASN 27 -11.885 22.043 -34.642 214 HB2 ASN 27 HB2 ASN 27 -13.834 22.135 -36.607 215 HB3 ASN 27 HB3 ASN 27 -13.501 23.835 -36.289 216 HD21 ASN 27 HD21 ASN 27 -12.010 20.760 -37.118 217 HD22 ASN 27 HD22 ASN 27 -10.654 21.433 -37.951 218 H ASP 28 H ASP 28 -13.312 22.750 -32.259 219 HA ASP 28 HA ASP 28 -13.256 25.686 -32.320 220 HB2 ASP 28 HB2 ASP 28 -14.948 23.793 -31.022 221 HB3 ASP 28 HB3 ASP 28 -14.090 24.698 -29.778 222 H ASN 29 H ASN 29 -11.742 22.878 -30.897 223 HA ASN 29 HA ASN 29 -9.897 22.608 -29.593 224 HB2 ASN 29 HB2 ASN 29 -9.272 24.524 -31.531 225 HB3 ASN 29 HB3 ASN 29 -8.668 25.201 -30.020 226 HD21 ASN 29 HD21 ASN 29 -8.865 21.918 -31.356 227 HD22 ASN 29 HD22 ASN 29 -7.191 21.550 -31.142 228 H LYS 30 H LYS 30 -12.298 24.073 -28.544 229 HA LYS 30 HA LYS 30 -11.057 24.955 -26.064 230 HB2 LYS 30 HB2 LYS 30 -11.932 26.827 -27.965 231 HB3 LYS 30 HB3 LYS 30 -13.184 26.793 -26.731 232 HG2 LYS 30 HG2 LYS 30 -11.751 27.529 -25.070 233 HG3 LYS 30 HG3 LYS 30 -10.307 27.028 -25.954 234 HD2 LYS 30 HD2 LYS 30 -12.072 29.127 -27.130 235 HD3 LYS 30 HD3 LYS 30 -10.986 29.562 -25.808 236 HE2 LYS 30 HE2 LYS 30 -9.214 28.298 -27.274 237 HE3 LYS 30 HE3 LYS 30 -10.350 28.647 -28.576 238 HZ1 LYS 30 HZ1 LYS 30 -8.435 30.319 -27.837 239 HZ2 LYS 30 HZ2 LYS 30 -9.676 30.870 -26.829 240 HZ3 LYS 30 HZ3 LYS 30 -9.900 30.839 -28.506 241 H LEU 31 H LEU 31 -12.755 25.364 -24.359 242 HA LEU 31 HA LEU 31 -15.191 23.793 -24.825 243 HB2 LEU 31 HB2 LEU 31 -13.022 23.278 -22.894 244 HB3 LEU 31 HB3 LEU 31 -14.663 23.140 -22.266 245 HG LEU 31 HG LEU 31 -15.085 21.544 -24.220 246 HD11 LEU 31 HD11 LEU 31 -12.160 21.996 -24.439 247 HD12 LEU 31 HD12 LEU 31 -13.358 21.689 -25.696 248 HD13 LEU 31 HD13 LEU 31 -12.769 20.361 -24.699 249 HD21 LEU 31 HD21 LEU 31 -14.251 21.154 -21.632 250 HD22 LEU 31 HD22 LEU 31 -13.118 20.174 -22.564 251 HD23 LEU 31 HD23 LEU 31 -14.854 19.904 -22.722 252 H THR 32 H THR 32 -16.957 24.833 -24.190 253 HA THR 32 HA THR 32 -16.779 27.358 -22.859 254 HB THR 32 HB THR 32 -19.116 27.565 -23.176 255 HG1 THR 32 HG1 THR 32 -20.443 25.778 -23.598 256 HG21 THR 32 HG21 THR 32 -19.060 27.635 -25.417 257 HG22 THR 32 HG22 THR 32 -18.811 25.896 -25.552 258 HG23 THR 32 HG23 THR 32 -17.436 26.964 -25.271 259 H ALA 33 H ALA 33 -18.458 27.784 -21.033 260 HA ALA 33 HA ALA 33 -17.582 26.635 -18.694 261 HB1 ALA 33 HB1 ALA 33 -19.347 27.731 -17.592 262 HB2 ALA 33 HB2 ALA 33 -18.991 28.727 -19.003 263 HB3 ALA 33 HB3 ALA 33 -20.390 27.655 -19.012 264 H GLU 34 H GLU 34 -20.123 25.537 -20.847 265 HA GLU 34 HA GLU 34 -21.239 23.610 -19.082 266 HB2 GLU 34 HB2 GLU 34 -21.683 24.521 -21.769 267 HB3 GLU 34 HB3 GLU 34 -21.649 22.764 -21.746 268 HG2 GLU 34 HG2 GLU 34 -23.270 22.996 -19.747 269 HG3 GLU 34 HG3 GLU 34 -23.517 24.633 -20.354 270 H GLU 35 H GLU 35 -18.926 23.367 -21.772 271 HA GLU 35 HA GLU 35 -18.503 20.585 -21.529 272 HB2 GLU 35 HB2 GLU 35 -16.552 22.607 -22.630 273 HB3 GLU 35 HB3 GLU 35 -16.636 20.894 -23.012 274 HG2 GLU 35 HG2 GLU 35 -18.792 21.227 -24.091 275 HG3 GLU 35 HG3 GLU 35 -18.736 22.942 -23.688 276 H LEU 36 H LEU 36 -16.855 23.389 -20.154 277 HA LEU 36 HA LEU 36 -14.717 21.964 -18.971 278 HB2 LEU 36 HB2 LEU 36 -14.480 24.302 -19.285 279 HB3 LEU 36 HB3 LEU 36 -15.960 24.639 -18.387 280 HG LEU 36 HG LEU 36 -14.725 23.694 -16.354 281 HD11 LEU 36 HD11 LEU 36 -12.774 22.724 -16.869 282 HD12 LEU 36 HD12 LEU 36 -12.148 24.372 -16.899 283 HD13 LEU 36 HD13 LEU 36 -12.635 23.586 -18.401 284 HD21 LEU 36 HD21 LEU 36 -15.231 26.046 -16.591 285 HD22 LEU 36 HD22 LEU 36 -13.833 26.270 -17.643 286 HD23 LEU 36 HD23 LEU 36 -13.601 25.851 -15.946 287 H GLY 37 H GLY 37 -17.938 22.854 -17.842 288 HA2 GLY 37 HA2 GLY 37 -17.627 22.168 -15.137 289 HA3 GLY 37 HA3 GLY 37 -19.150 22.183 -16.013 290 H THR 38 H THR 38 -18.290 20.188 -17.956 291 HA THR 38 HA THR 38 -19.064 17.859 -16.510 292 HB THR 38 HB THR 38 -18.016 18.122 -19.335 293 HG1 THR 38 HG1 THR 38 -20.392 17.752 -19.687 294 HG21 THR 38 HG21 THR 38 -19.721 15.880 -19.001 295 HG22 THR 38 HG22 THR 38 -18.487 15.804 -17.744 296 HG23 THR 38 HG23 THR 38 -18.013 15.898 -19.440 297 H VAL 39 H VAL 39 -16.022 18.906 -18.017 298 HA VAL 39 HA VAL 39 -14.578 16.566 -17.253 299 HB VAL 39 HB VAL 39 -13.851 17.896 -19.160 300 HG11 VAL 39 HG11 VAL 39 -14.525 20.098 -18.331 301 HG12 VAL 39 HG12 VAL 39 -13.216 20.053 -17.149 302 HG13 VAL 39 HG13 VAL 39 -12.848 20.098 -18.873 303 HG21 VAL 39 HG21 VAL 39 -12.194 16.984 -17.047 304 HG22 VAL 39 HG22 VAL 39 -11.821 17.089 -18.768 305 HG23 VAL 39 HG23 VAL 39 -11.473 18.453 -17.705 306 H MET 40 H MET 40 -15.087 19.740 -15.839 307 HA MET 40 HA MET 40 -13.082 19.556 -13.846 308 HB2 MET 40 HB2 MET 40 -14.343 21.640 -14.661 309 HB3 MET 40 HB3 MET 40 -15.629 21.139 -13.570 310 HG2 MET 40 HG2 MET 40 -14.576 21.999 -11.827 311 HG3 MET 40 HG3 MET 40 -13.101 21.116 -12.210 312 HE1 MET 40 HE1 MET 40 -11.507 22.465 -11.509 313 HE2 MET 40 HE2 MET 40 -10.770 22.682 -13.098 314 HE3 MET 40 HE3 MET 40 -11.053 24.079 -12.059 315 H ARG 41 H ARG 41 -16.417 18.497 -14.026 316 HA ARG 41 HA ARG 41 -16.969 18.041 -11.347 317 HB2 ARG 41 HB2 ARG 41 -17.880 16.739 -13.887 318 HB3 ARG 41 HB3 ARG 41 -18.370 16.062 -12.340 319 HG2 ARG 41 HG2 ARG 41 -19.715 17.831 -11.830 320 HG3 ARG 41 HG3 ARG 41 -18.758 18.972 -12.776 321 HD2 ARG 41 HD2 ARG 41 -20.254 18.788 -14.408 322 HD3 ARG 41 HD3 ARG 41 -19.758 17.108 -14.611 323 HE ARG 41 HE ARG 41 -22.168 18.071 -13.362 324 HH11 ARG 41 HH11 ARG 41 -19.929 15.420 -13.643 325 HH12 ARG 41 HH12 ARG 41 -21.079 14.225 -13.140 326 HH21 ARG 41 HH21 ARG 41 -23.691 16.507 -12.700 327 HH22 ARG 41 HH22 ARG 41 -23.218 14.844 -12.605 328 H ALA 42 H ALA 42 -15.062 16.151 -13.602 329 HA ALA 42 HA ALA 42 -14.862 13.755 -12.197 330 HB1 ALA 42 HB1 ALA 42 -12.845 15.115 -13.977 331 HB2 ALA 42 HB2 ALA 42 -12.711 13.451 -13.407 332 HB3 ALA 42 HB3 ALA 42 -14.053 13.921 -14.450 333 H LEU 43 H LEU 43 -13.462 16.846 -11.544 334 HA LEU 43 HA LEU 43 -11.724 15.667 -9.485 335 HB2 LEU 43 HB2 LEU 43 -11.646 18.463 -10.606 336 HB3 LEU 43 HB3 LEU 43 -10.473 17.727 -9.516 337 HG LEU 43 HG LEU 43 -10.961 16.958 -12.393 338 HD11 LEU 43 HD11 LEU 43 -8.362 17.700 -12.191 339 HD12 LEU 43 HD12 LEU 43 -9.124 18.811 -11.052 340 HD13 LEU 43 HD13 LEU 43 -9.667 18.759 -12.729 341 HD21 LEU 43 HD21 LEU 43 -10.346 15.055 -10.917 342 HD22 LEU 43 HD22 LEU 43 -8.874 15.923 -10.479 343 HD23 LEU 43 HD23 LEU 43 -9.136 15.418 -12.149 344 H GLY 44 H GLY 44 -14.439 17.753 -10.046 345 HA2 GLY 44 HA2 GLY 44 -14.425 18.862 -7.371 346 HA3 GLY 44 HA3 GLY 44 -15.653 19.115 -8.603 347 H ALA 45 H ALA 45 -17.307 17.545 -8.870 348 HA ALA 45 HA ALA 45 -18.875 16.060 -8.149 349 HB1 ALA 45 HB1 ALA 45 -16.842 14.760 -6.377 350 HB2 ALA 45 HB2 ALA 45 -18.174 14.028 -7.273 351 HB3 ALA 45 HB3 ALA 45 -16.744 14.602 -8.131 352 H ASN 46 H ASN 46 -19.616 18.100 -7.028 353 HA ASN 46 HA ASN 46 -20.578 17.508 -4.479 354 HB2 ASN 46 HB2 ASN 46 -17.908 18.560 -4.462 355 HB3 ASN 46 HB3 ASN 46 -18.996 19.738 -3.734 356 HD21 ASN 46 HD21 ASN 46 -20.801 18.315 -2.420 357 HD22 ASN 46 HD22 ASN 46 -20.067 17.322 -1.210 358 HA PRO 47 HA PRO 47 -21.515 22.145 -5.429 359 HB2 PRO 47 HB2 PRO 47 -20.202 23.292 -7.511 360 HB3 PRO 47 HB3 PRO 47 -19.573 23.294 -5.859 361 HG2 PRO 47 HG2 PRO 47 -18.866 21.504 -8.152 362 HG3 PRO 47 HG3 PRO 47 -17.799 22.279 -6.968 363 HD2 PRO 47 HD2 PRO 47 -18.535 19.679 -6.786 364 HD3 PRO 47 HD3 PRO 47 -18.224 20.686 -5.357 365 H THR 48 H THR 48 -22.750 23.297 -7.158 366 HA THR 48 HA THR 48 -23.966 21.331 -8.944 367 HB THR 48 HB THR 48 -25.232 23.917 -9.057 368 HG1 THR 48 HG1 THR 48 -25.025 22.788 -6.449 369 HG21 THR 48 HG21 THR 48 -26.660 22.209 -9.563 370 HG22 THR 48 HG22 THR 48 -27.031 22.372 -7.847 371 HG23 THR 48 HG23 THR 48 -25.930 21.108 -8.396 372 H LYS 49 H LYS 49 -24.600 22.021 -11.136 373 HA LYS 49 HA LYS 49 -22.389 22.916 -12.619 374 HB2 LYS 49 HB2 LYS 49 -25.218 22.241 -13.204 375 HB3 LYS 49 HB3 LYS 49 -24.388 23.238 -14.391 376 HG2 LYS 49 HG2 LYS 49 -23.057 20.763 -13.410 377 HG3 LYS 49 HG3 LYS 49 -24.377 20.628 -14.575 378 HD2 LYS 49 HD2 LYS 49 -22.701 22.691 -15.502 379 HD3 LYS 49 HD3 LYS 49 -21.639 21.369 -15.011 380 HE2 LYS 49 HE2 LYS 49 -22.874 19.824 -16.416 381 HE3 LYS 49 HE3 LYS 49 -24.012 21.097 -16.853 382 HZ1 LYS 49 HZ1 LYS 49 -21.121 21.006 -17.522 383 HZ2 LYS 49 HZ2 LYS 49 -22.141 22.314 -17.855 384 HZ3 LYS 49 HZ3 LYS 49 -22.412 20.819 -18.598 385 H GLN 50 H GLN 50 -25.225 24.585 -11.393 386 HA GLN 50 HA GLN 50 -24.837 26.987 -12.861 387 HB2 GLN 50 HB2 GLN 50 -26.993 26.292 -11.804 388 HB3 GLN 50 HB3 GLN 50 -26.283 26.630 -10.231 389 HG2 GLN 50 HG2 GLN 50 -26.727 28.792 -10.409 390 HG3 GLN 50 HG3 GLN 50 -25.977 28.881 -12.001 391 HE21 GLN 50 HE21 GLN 50 -27.299 29.642 -13.473 392 HE22 GLN 50 HE22 GLN 50 -29.002 29.364 -13.564 393 H LYS 51 H LYS 51 -23.675 25.787 -9.781 394 HA LYS 51 HA LYS 51 -22.637 28.280 -8.860 395 HB2 LYS 51 HB2 LYS 51 -21.681 25.553 -8.007 396 HB3 LYS 51 HB3 LYS 51 -21.663 27.047 -7.079 397 HG2 LYS 51 HG2 LYS 51 -24.109 25.490 -7.893 398 HG3 LYS 51 HG3 LYS 51 -23.395 25.551 -6.280 399 HD2 LYS 51 HD2 LYS 51 -23.719 28.139 -6.583 400 HD3 LYS 51 HD3 LYS 51 -24.929 27.636 -7.765 401 HE2 LYS 51 HE2 LYS 51 -26.365 27.323 -6.101 402 HE3 LYS 51 HE3 LYS 51 -25.328 26.038 -5.486 403 HZ1 LYS 51 HZ1 LYS 51 -25.552 27.512 -3.716 404 HZ2 LYS 51 HZ2 LYS 51 -25.392 28.883 -4.694 405 HZ3 LYS 51 HZ3 LYS 51 -24.045 27.914 -4.371 406 H ILE 52 H ILE 52 -21.220 25.459 -10.475 407 HA ILE 52 HA ILE 52 -18.569 26.496 -10.507 408 HB ILE 52 HB ILE 52 -18.996 24.096 -10.701 409 HG12 ILE 52 HG12 ILE 52 -17.735 25.100 -13.257 410 HG13 ILE 52 HG13 ILE 52 -16.939 25.189 -11.689 411 HG21 ILE 52 HG21 ILE 52 -20.079 24.682 -13.451 412 HG22 ILE 52 HG22 ILE 52 -19.948 23.107 -12.669 413 HG23 ILE 52 HG23 ILE 52 -21.076 24.310 -12.045 414 HD11 ILE 52 HD11 ILE 52 -16.651 22.910 -11.559 415 HD12 ILE 52 HD12 ILE 52 -17.963 22.573 -12.689 416 HD13 ILE 52 HD13 ILE 52 -16.431 23.217 -13.282 417 H SER 53 H SER 53 -21.295 26.641 -12.717 418 HA SER 53 HA SER 53 -19.892 27.644 -14.958 419 HB2 SER 53 HB2 SER 53 -22.145 28.361 -15.752 420 HB3 SER 53 HB3 SER 53 -22.102 26.678 -15.224 421 HG SER 53 HG SER 53 -23.508 28.795 -14.213 422 H GLU 54 H GLU 54 -21.347 29.170 -12.154 423 HA GLU 54 HA GLU 54 -21.145 31.840 -13.149 424 HB2 GLU 54 HB2 GLU 54 -22.372 30.613 -10.978 425 HB3 GLU 54 HB3 GLU 54 -21.120 31.607 -10.248 426 HG2 GLU 54 HG2 GLU 54 -22.069 33.568 -10.947 427 HG3 GLU 54 HG3 GLU 54 -22.871 32.815 -12.325 428 H ILE 55 H ILE 55 -19.072 29.715 -11.287 429 HA ILE 55 HA ILE 55 -17.201 31.746 -10.538 430 HB ILE 55 HB ILE 55 -16.866 28.746 -10.597 431 HG12 ILE 55 HG12 ILE 55 -17.307 30.441 -8.154 432 HG13 ILE 55 HG13 ILE 55 -18.672 29.856 -9.099 433 HG21 ILE 55 HG21 ILE 55 -15.084 30.965 -9.800 434 HG22 ILE 55 HG22 ILE 55 -15.136 29.565 -8.730 435 HG23 ILE 55 HG23 ILE 55 -14.694 29.363 -10.426 436 HD11 ILE 55 HD11 ILE 55 -18.350 28.337 -7.321 437 HD12 ILE 55 HD12 ILE 55 -17.764 27.540 -8.779 438 HD13 ILE 55 HD13 ILE 55 -16.618 28.232 -7.630 439 H VAL 56 H VAL 56 -17.495 29.461 -13.188 440 HA VAL 56 HA VAL 56 -14.874 29.879 -14.233 441 HB VAL 56 HB VAL 56 -17.349 28.799 -15.589 442 HG11 VAL 56 HG11 VAL 56 -15.746 29.616 -17.222 443 HG12 VAL 56 HG12 VAL 56 -14.458 28.693 -16.444 444 HG13 VAL 56 HG13 VAL 56 -15.792 27.854 -17.235 445 HG21 VAL 56 HG21 VAL 56 -16.787 26.712 -14.861 446 HG22 VAL 56 HG22 VAL 56 -15.066 27.086 -14.773 447 HG23 VAL 56 HG23 VAL 56 -16.158 27.655 -13.511 448 H LYS 57 H LYS 57 -18.078 31.186 -15.000 449 HA LYS 57 HA LYS 57 -17.150 32.807 -17.162 450 HB2 LYS 57 HB2 LYS 57 -19.358 33.665 -17.270 451 HB3 LYS 57 HB3 LYS 57 -19.517 31.971 -16.830 452 HG2 LYS 57 HG2 LYS 57 -20.881 32.714 -15.231 453 HG3 LYS 57 HG3 LYS 57 -19.402 33.176 -14.386 454 HD2 LYS 57 HD2 LYS 57 -19.630 35.368 -15.788 455 HD3 LYS 57 HD3 LYS 57 -21.317 34.871 -15.933 456 HE2 LYS 57 HE2 LYS 57 -20.168 34.752 -13.221 457 HE3 LYS 57 HE3 LYS 57 -20.348 36.368 -13.905 458 HZ1 LYS 57 HZ1 LYS 57 -22.563 36.271 -13.745 459 HZ2 LYS 57 HZ2 LYS 57 -22.294 35.021 -12.637 460 HZ3 LYS 57 HZ3 LYS 57 -22.649 34.659 -14.250 461 H ASP 58 H ASP 58 -17.333 33.178 -13.730 462 HA ASP 58 HA ASP 58 -17.099 36.057 -13.784 463 HB2 ASP 58 HB2 ASP 58 -18.293 34.892 -11.953 464 HB3 ASP 58 HB3 ASP 58 -16.778 34.137 -11.468 465 H TYR 59 H TYR 59 -14.989 33.290 -13.518 466 HA TYR 59 HA TYR 59 -12.692 34.899 -12.782 467 HB2 TYR 59 HB2 TYR 59 -13.196 31.979 -13.200 468 HB3 TYR 59 HB3 TYR 59 -11.543 32.578 -13.251 469 HD1 TYR 59 HD1 TYR 59 -14.493 33.360 -11.087 470 HD2 TYR 59 HD2 TYR 59 -10.443 32.071 -11.289 471 HE1 TYR 59 HE1 TYR 59 -14.399 33.289 -8.630 472 HE2 TYR 59 HE2 TYR 59 -10.338 31.996 -8.834 473 HH TYR 59 HH TYR 59 -11.910 33.407 -6.881 474 H ASP 60 H ASP 60 -14.134 33.551 -15.639 475 HA ASP 60 HA ASP 60 -11.775 34.249 -17.237 476 HB2 ASP 60 HB2 ASP 60 -14.263 32.743 -18.071 477 HB3 ASP 60 HB3 ASP 60 -12.802 32.958 -19.030 478 H LYS 61 H LYS 61 -12.526 36.542 -16.606 479 HA LYS 61 HA LYS 61 -14.533 37.499 -18.535 480 HB2 LYS 61 HB2 LYS 61 -14.898 39.389 -17.118 481 HB3 LYS 61 HB3 LYS 61 -14.944 37.955 -16.099 482 HG2 LYS 61 HG2 LYS 61 -12.352 38.582 -15.857 483 HG3 LYS 61 HG3 LYS 61 -13.020 40.190 -16.147 484 HD2 LYS 61 HD2 LYS 61 -14.172 40.215 -14.182 485 HD3 LYS 61 HD3 LYS 61 -14.426 38.468 -14.184 486 HE2 LYS 61 HE2 LYS 61 -11.820 39.864 -13.583 487 HE3 LYS 61 HE3 LYS 61 -12.917 39.185 -12.382 488 HZ1 LYS 61 HZ1 LYS 61 -10.934 37.878 -13.944 489 HZ2 LYS 61 HZ2 LYS 61 -12.447 37.153 -14.172 490 HZ3 LYS 61 HZ3 LYS 61 -11.805 37.297 -12.614 491 H ASP 62 H ASP 62 -11.219 37.485 -17.767 492 HA ASP 62 HA ASP 62 -10.619 39.931 -19.218 493 HB2 ASP 62 HB2 ASP 62 -8.424 39.717 -18.445 494 HB3 ASP 62 HB3 ASP 62 -9.376 39.042 -17.126 495 H ASN 63 H ASN 63 -11.614 37.099 -20.251 496 HA ASN 63 HA ASN 63 -10.073 37.274 -22.722 497 HB2 ASN 63 HB2 ASN 63 -8.900 35.565 -21.430 498 HB3 ASN 63 HB3 ASN 63 -10.412 34.705 -21.159 499 HD21 ASN 63 HD21 ASN 63 -10.270 32.881 -22.257 500 HD22 ASN 63 HD22 ASN 63 -9.813 32.734 -23.916 501 H SER 64 H SER 64 -12.370 34.910 -21.379 502 HA SER 64 HA SER 64 -14.655 35.845 -22.688 503 HB2 SER 64 HB2 SER 64 -12.883 34.771 -24.526 504 HB3 SER 64 HB3 SER 64 -13.994 33.438 -24.208 505 HG SER 64 HG SER 64 -14.665 36.064 -25.051 506 H GLY 65 H GLY 65 -16.052 33.575 -23.261 507 HA2 GLY 65 HA2 GLY 65 -16.149 32.293 -20.622 508 HA3 GLY 65 HA3 GLY 65 -17.461 32.343 -21.792 509 H LYS 66 H LYS 66 -14.210 31.521 -22.738 510 HA LYS 66 HA LYS 66 -15.061 28.717 -23.061 511 HB2 LYS 66 HB2 LYS 66 -13.763 30.602 -24.942 512 HB3 LYS 66 HB3 LYS 66 -13.144 28.955 -24.946 513 HG2 LYS 66 HG2 LYS 66 -14.798 28.427 -26.318 514 HG3 LYS 66 HG3 LYS 66 -15.915 28.680 -24.975 515 HD2 LYS 66 HD2 LYS 66 -16.846 30.251 -26.270 516 HD3 LYS 66 HD3 LYS 66 -15.443 31.237 -25.854 517 HE2 LYS 66 HE2 LYS 66 -14.302 30.566 -27.849 518 HE3 LYS 66 HE3 LYS 66 -15.544 29.371 -28.218 519 HZ1 LYS 66 HZ1 LYS 66 -16.407 30.977 -29.482 520 HZ2 LYS 66 HZ2 LYS 66 -15.512 32.202 -28.731 521 HZ3 LYS 66 HZ3 LYS 66 -16.956 31.664 -28.037 522 H PHE 67 H PHE 67 -13.181 27.183 -23.237 523 HA PHE 67 HA PHE 67 -10.922 28.048 -21.561 524 HB2 PHE 67 HB2 PHE 67 -12.940 26.280 -20.762 525 HB3 PHE 67 HB3 PHE 67 -11.570 25.252 -21.168 526 HD1 PHE 67 HD1 PHE 67 -11.896 28.595 -19.541 527 HD2 PHE 67 HD2 PHE 67 -10.445 24.602 -19.282 528 HE1 PHE 67 HE1 PHE 67 -10.869 29.113 -17.366 529 HE2 PHE 67 HE2 PHE 67 -9.417 25.112 -17.107 530 HZ PHE 67 HZ PHE 67 -9.628 27.370 -16.145 531 H ASP 68 H ASP 68 -8.974 27.526 -22.331 532 HA ASP 68 HA ASP 68 -8.853 25.642 -24.592 533 HB2 ASP 68 HB2 ASP 68 -6.776 26.884 -25.245 534 HB3 ASP 68 HB3 ASP 68 -8.245 27.853 -25.313 535 H GLN 69 H GLN 69 -7.434 23.973 -24.549 536 HA GLN 69 HA GLN 69 -6.572 22.873 -22.187 537 HB2 GLN 69 HB2 GLN 69 -5.070 21.461 -23.541 538 HB3 GLN 69 HB3 GLN 69 -6.675 21.594 -24.250 539 HG2 GLN 69 HG2 GLN 69 -5.376 21.865 -26.102 540 HG3 GLN 69 HG3 GLN 69 -5.580 23.544 -25.606 541 HE21 GLN 69 HE21 GLN 69 -3.613 23.667 -27.013 542 HE22 GLN 69 HE22 GLN 69 -2.079 23.470 -26.242 543 H GLU 70 H GLU 70 -4.904 25.176 -24.250 544 HA GLU 70 HA GLU 70 -2.347 25.021 -23.146 545 HB2 GLU 70 HB2 GLU 70 -3.302 26.391 -25.179 546 HB3 GLU 70 HB3 GLU 70 -3.471 27.664 -23.979 547 HG2 GLU 70 HG2 GLU 70 -0.969 27.055 -23.458 548 HG3 GLU 70 HG3 GLU 70 -1.015 26.428 -25.105 549 H THR 71 H THR 71 -5.205 26.778 -22.080 550 HA THR 71 HA THR 71 -3.964 28.346 -20.092 551 HB THR 71 HB THR 71 -6.814 27.354 -20.271 552 HG1 THR 71 HG1 THR 71 -5.479 29.717 -21.108 553 HG21 THR 71 HG21 THR 71 -6.483 27.941 -18.002 554 HG22 THR 71 HG22 THR 71 -7.246 29.344 -18.751 555 HG23 THR 71 HG23 THR 71 -5.511 29.348 -18.429 556 H PHE 72 H PHE 72 -5.578 25.185 -19.933 557 HA PHE 72 HA PHE 72 -5.250 24.830 -17.150 558 HB2 PHE 72 HB2 PHE 72 -6.896 23.517 -18.301 559 HB3 PHE 72 HB3 PHE 72 -5.683 22.851 -19.389 560 HD1 PHE 72 HD1 PHE 72 -6.971 22.809 -15.944 561 HD2 PHE 72 HD2 PHE 72 -4.339 20.997 -18.756 562 HE1 PHE 72 HE1 PHE 72 -6.659 20.905 -14.418 563 HE2 PHE 72 HE2 PHE 72 -4.022 19.090 -17.233 564 HZ PHE 72 HZ PHE 72 -5.181 19.042 -15.061 565 H LEU 73 H LEU 73 -3.271 23.954 -19.931 566 HA LEU 73 HA LEU 73 -1.379 22.417 -18.462 567 HB2 LEU 73 HB2 LEU 73 -1.825 23.190 -21.180 568 HB3 LEU 73 HB3 LEU 73 -0.141 23.492 -20.759 569 HG LEU 73 HG LEU 73 -0.702 20.921 -19.800 570 HD11 LEU 73 HD11 LEU 73 -2.199 21.551 -22.270 571 HD12 LEU 73 HD12 LEU 73 -2.520 20.350 -21.020 572 HD13 LEU 73 HD13 LEU 73 -1.295 20.037 -22.250 573 HD21 LEU 73 HD21 LEU 73 1.394 21.023 -20.598 574 HD22 LEU 73 HD22 LEU 73 0.977 22.222 -21.823 575 HD23 LEU 73 HD23 LEU 73 0.658 20.513 -22.119 576 H THR 74 H THR 74 -1.731 25.806 -19.200 577 HA THR 74 HA THR 74 0.945 26.530 -18.462 578 HB THR 74 HB THR 74 -1.522 28.250 -18.791 579 HG1 THR 74 HG1 THR 74 -0.977 28.323 -20.850 580 HG21 THR 74 HG21 THR 74 1.210 28.851 -17.909 581 HG22 THR 74 HG22 THR 74 -0.273 29.784 -17.718 582 HG23 THR 74 HG23 THR 74 0.632 29.868 -19.229 583 H ILE 75 H ILE 75 -2.230 26.657 -16.893 584 HA ILE 75 HA ILE 75 -1.278 27.886 -14.505 585 HB ILE 75 HB ILE 75 -3.447 27.330 -13.546 586 HG12 ILE 75 HG12 ILE 75 -3.834 25.713 -16.073 587 HG13 ILE 75 HG13 ILE 75 -3.735 25.085 -14.430 588 HG21 ILE 75 HG21 ILE 75 -2.982 28.959 -15.740 589 HG22 ILE 75 HG22 ILE 75 -4.456 28.083 -16.152 590 HG23 ILE 75 HG23 ILE 75 -4.376 29.020 -14.661 591 HD11 ILE 75 HD11 ILE 75 -5.809 26.236 -13.866 592 HD12 ILE 75 HD12 ILE 75 -5.908 26.863 -15.512 593 HD13 ILE 75 HD13 ILE 75 -6.027 25.127 -15.221 594 H MET 76 H MET 76 -1.754 24.564 -15.551 595 HA MET 76 HA MET 76 -1.273 23.424 -12.968 596 HB2 MET 76 HB2 MET 76 -1.446 21.318 -14.023 597 HB3 MET 76 HB3 MET 76 -2.585 22.357 -14.868 598 HG2 MET 76 HG2 MET 76 -1.625 21.462 -16.686 599 HG3 MET 76 HG3 MET 76 -0.424 22.719 -16.408 600 HE1 MET 76 HE1 MET 76 -1.228 19.356 -17.068 601 HE2 MET 76 HE2 MET 76 0.248 19.603 -18.001 602 HE3 MET 76 HE3 MET 76 0.201 18.374 -16.737 603 H LEU 77 H LEU 77 0.677 24.325 -15.711 604 HA LEU 77 HA LEU 77 3.005 22.872 -14.848 605 HB2 LEU 77 HB2 LEU 77 2.617 23.326 -17.209 606 HB3 LEU 77 HB3 LEU 77 2.683 25.060 -16.897 607 HG LEU 77 HG LEU 77 5.097 24.502 -16.037 608 HD11 LEU 77 HD11 LEU 77 4.817 22.066 -16.234 609 HD12 LEU 77 HD12 LEU 77 6.142 22.673 -17.224 610 HD13 LEU 77 HD13 LEU 77 4.606 22.246 -17.975 611 HD21 LEU 77 HD21 LEU 77 4.154 24.769 -18.871 612 HD22 LEU 77 HD22 LEU 77 5.871 24.693 -18.476 613 HD23 LEU 77 HD23 LEU 77 4.873 25.989 -17.819 614 H GLU 78 H GLU 78 1.841 26.196 -14.662 615 HA GLU 78 HA GLU 78 4.243 27.221 -13.490 616 HB2 GLU 78 HB2 GLU 78 3.057 29.280 -13.239 617 HB3 GLU 78 HB3 GLU 78 2.586 28.589 -14.786 618 HG2 GLU 78 HG2 GLU 78 0.543 27.687 -13.667 619 HG3 GLU 78 HG3 GLU 78 0.996 28.608 -12.235 620 H TYR 79 H TYR 79 1.311 25.779 -12.297 621 HA TYR 79 HA TYR 79 1.739 26.619 -9.569 622 HB2 TYR 79 HB2 TYR 79 -0.528 26.165 -10.653 623 HB3 TYR 79 HB3 TYR 79 -0.143 24.454 -10.502 624 HD1 TYR 79 HD1 TYR 79 0.585 23.702 -8.075 625 HD2 TYR 79 HD2 TYR 79 -1.689 27.191 -8.939 626 HE1 TYR 79 HE1 TYR 79 -0.266 23.709 -5.768 627 HE2 TYR 79 HE2 TYR 79 -2.547 27.210 -6.634 628 HH TYR 79 HH TYR 79 -1.342 24.967 -4.208 629 H GLY 80 H GLY 80 2.360 23.784 -11.538 630 HA2 GLY 80 HA2 GLY 80 4.253 22.386 -10.967 631 HA3 GLY 80 HA3 GLY 80 3.866 22.644 -9.272 632 H GLN 81 H GLN 81 0.930 22.279 -10.101 633 HA GLN 81 HA GLN 81 0.542 19.685 -11.059 634 HB2 GLN 81 HB2 GLN 81 -0.077 18.619 -8.817 635 HB3 GLN 81 HB3 GLN 81 1.634 18.754 -9.200 636 HG2 GLN 81 HG2 GLN 81 2.012 20.346 -7.605 637 HG3 GLN 81 HG3 GLN 81 0.351 20.935 -7.643 638 HE21 GLN 81 HE21 GLN 81 -1.263 19.124 -6.980 639 HE22 GLN 81 HE22 GLN 81 -0.857 18.293 -5.521 640 H GLU 82 H GLU 82 -0.529 22.226 -8.887 641 HA GLU 82 HA GLU 82 -2.557 23.207 -8.566 642 HB2 GLU 82 HB2 GLU 82 -2.508 22.441 -11.285 643 HB3 GLU 82 HB3 GLU 82 -4.102 22.018 -10.676 644 HG2 GLU 82 HG2 GLU 82 -3.590 24.569 -9.674 645 HG3 GLU 82 HG3 GLU 82 -3.017 24.596 -11.341 646 H VAL 83 H VAL 83 -4.980 22.670 -8.288 647 HA VAL 83 HA VAL 83 -5.217 20.584 -6.434 648 HB VAL 83 HB VAL 83 -7.465 21.913 -7.952 649 HG11 VAL 83 HG11 VAL 83 -7.345 19.989 -5.745 650 HG12 VAL 83 HG12 VAL 83 -8.386 21.383 -5.447 651 HG13 VAL 83 HG13 VAL 83 -8.661 20.360 -6.859 652 HG21 VAL 83 HG21 VAL 83 -7.563 23.371 -5.887 653 HG22 VAL 83 HG22 VAL 83 -5.967 22.743 -5.479 654 HG23 VAL 83 HG23 VAL 83 -6.200 23.656 -6.969 655 H ASP 84 H ASP 84 -5.683 20.663 -9.881 656 HA ASP 84 HA ASP 84 -7.292 18.427 -10.262 657 HB2 ASP 84 HB2 ASP 84 -6.293 18.291 -12.507 658 HB3 ASP 84 HB3 ASP 84 -6.695 19.951 -12.080 659 H SER 85 H SER 85 -6.721 16.264 -10.953 660 HA SER 85 HA SER 85 -4.223 15.311 -9.710 661 HB2 SER 85 HB2 SER 85 -6.821 14.653 -8.979 662 HB3 SER 85 HB3 SER 85 -6.309 13.287 -9.970 663 HG SER 85 HG SER 85 -5.316 12.663 -8.231 Start of MODEL 10 1 H1 MET 1 H1 MET 1 3.692 -2.005 -14.635 2 HA MET 1 HA MET 1 2.832 -3.162 -12.602 3 HB2 MET 1 HB2 MET 1 5.082 -3.999 -11.785 4 HB3 MET 1 HB3 MET 1 4.769 -4.183 -13.506 5 HG2 MET 1 HG2 MET 1 6.032 -1.662 -13.016 6 HG3 MET 1 HG3 MET 1 6.964 -2.959 -12.272 7 HE1 MET 1 HE1 MET 1 7.352 -1.640 -16.424 8 HE2 MET 1 HE2 MET 1 5.787 -1.329 -15.674 9 HE3 MET 1 HE3 MET 1 7.268 -0.815 -14.867 10 H SER 2 H SER 2 3.090 -3.376 -10.280 11 HA SER 2 HA SER 2 2.902 -2.496 -8.186 12 HB2 SER 2 HB2 SER 2 5.309 -0.871 -9.044 13 HB3 SER 2 HB3 SER 2 4.816 -1.215 -7.386 14 HG SER 2 HG SER 2 5.178 -3.436 -7.832 15 H GLU 3 H GLU 3 0.902 -1.466 -9.143 16 HA GLU 3 HA GLU 3 -0.542 0.288 -9.240 17 HB2 GLU 3 HB2 GLU 3 1.273 0.862 -7.123 18 HB3 GLU 3 HB3 GLU 3 0.938 2.366 -7.968 19 HG2 GLU 3 HG2 GLU 3 -1.453 2.017 -7.666 20 HG3 GLU 3 HG3 GLU 3 -1.131 0.493 -6.840 21 H GLN 4 H GLN 4 -0.576 2.805 -9.777 22 HA GLN 4 HA GLN 4 1.499 3.537 -11.677 23 HB2 GLN 4 HB2 GLN 4 -1.392 3.307 -12.527 24 HB3 GLN 4 HB3 GLN 4 -0.063 3.893 -13.518 25 HG2 GLN 4 HG2 GLN 4 0.990 1.598 -13.148 26 HG3 GLN 4 HG3 GLN 4 -0.601 1.103 -12.572 27 HE21 GLN 4 HE21 GLN 4 1.124 2.464 -15.320 28 HE22 GLN 4 HE22 GLN 4 0.028 1.892 -16.526 29 H LYS 5 H LYS 5 1.675 5.725 -12.006 30 HA LYS 5 HA LYS 5 -0.072 7.394 -10.330 31 HB2 LYS 5 HB2 LYS 5 2.414 7.335 -9.867 32 HB3 LYS 5 HB3 LYS 5 2.647 8.124 -11.422 33 HG2 LYS 5 HG2 LYS 5 2.045 10.126 -10.631 34 HG3 LYS 5 HG3 LYS 5 0.711 9.462 -9.685 35 HD2 LYS 5 HD2 LYS 5 3.531 8.990 -8.813 36 HD3 LYS 5 HD3 LYS 5 2.760 10.543 -8.481 37 HE2 LYS 5 HE2 LYS 5 1.169 8.150 -7.822 38 HE3 LYS 5 HE3 LYS 5 2.615 8.398 -6.845 39 HZ1 LYS 5 HZ1 LYS 5 0.499 9.452 -6.010 40 HZ2 LYS 5 HZ2 LYS 5 0.627 10.544 -7.296 41 HZ3 LYS 5 HZ3 LYS 5 1.841 10.475 -6.121 42 H LYS 6 H LYS 6 -1.645 8.312 -11.472 43 HA LYS 6 HA LYS 6 -1.042 9.276 -14.187 44 HB2 LYS 6 HB2 LYS 6 -3.584 9.321 -14.402 45 HB3 LYS 6 HB3 LYS 6 -2.820 7.738 -14.335 46 HG2 LYS 6 HG2 LYS 6 -3.546 8.709 -11.703 47 HG3 LYS 6 HG3 LYS 6 -4.933 8.614 -12.791 48 HD2 LYS 6 HD2 LYS 6 -3.086 6.308 -12.823 49 HD3 LYS 6 HD3 LYS 6 -4.026 6.531 -11.346 50 HE2 LYS 6 HE2 LYS 6 -6.076 6.386 -12.519 51 HE3 LYS 6 HE3 LYS 6 -5.277 6.546 -14.082 52 HZ1 LYS 6 HZ1 LYS 6 -5.838 4.201 -12.622 53 HZ2 LYS 6 HZ2 LYS 6 -4.163 4.336 -12.824 54 HZ3 LYS 6 HZ3 LYS 6 -5.181 4.350 -14.174 55 H VAL 7 H VAL 7 -0.463 10.650 -11.625 56 HA VAL 7 HA VAL 7 -2.002 13.106 -12.155 57 HB VAL 7 HB VAL 7 -1.986 13.666 -9.798 58 HG11 VAL 7 HG11 VAL 7 -3.854 12.501 -9.406 59 HG12 VAL 7 HG12 VAL 7 -3.552 11.737 -10.967 60 HG13 VAL 7 HG13 VAL 7 -3.011 10.954 -9.483 61 HG21 VAL 7 HG21 VAL 7 -0.219 12.826 -8.676 62 HG22 VAL 7 HG22 VAL 7 -1.325 11.494 -8.335 63 HG23 VAL 7 HG23 VAL 7 -0.160 11.359 -9.653 64 H LEU 8 H LEU 8 -0.865 14.997 -12.193 65 HA LEU 8 HA LEU 8 0.929 16.365 -12.478 66 HB2 LEU 8 HB2 LEU 8 2.134 14.664 -10.300 67 HB3 LEU 8 HB3 LEU 8 2.669 16.271 -10.786 68 HG LEU 8 HG LEU 8 -0.132 16.205 -9.987 69 HD11 LEU 8 HD11 LEU 8 1.839 15.759 -7.777 70 HD12 LEU 8 HD12 LEU 8 0.995 14.411 -8.538 71 HD13 LEU 8 HD13 LEU 8 0.077 15.682 -7.730 72 HD21 LEU 8 HD21 LEU 8 2.296 17.785 -9.152 73 HD22 LEU 8 HD22 LEU 8 0.655 18.100 -8.585 74 HD23 LEU 8 HD23 LEU 8 1.045 18.273 -10.296 75 H THR 9 H THR 9 0.782 13.777 -13.952 76 HA THR 9 HA THR 9 3.624 13.624 -14.716 77 HB THR 9 HB THR 9 2.554 11.198 -15.513 78 HG1 THR 9 HG1 THR 9 1.828 11.476 -12.798 79 HG21 THR 9 HG21 THR 9 4.792 11.618 -14.565 80 HG22 THR 9 HG22 THR 9 3.998 10.240 -13.805 81 HG23 THR 9 HG23 THR 9 4.068 11.790 -12.967 82 H ALA 10 H ALA 10 3.848 12.612 -16.971 83 HA ALA 10 HA ALA 10 2.734 14.267 -18.873 84 HB1 ALA 10 HB1 ALA 10 3.331 12.289 -20.469 85 HB2 ALA 10 HB2 ALA 10 4.607 13.157 -19.616 86 HB3 ALA 10 HB3 ALA 10 4.051 11.594 -19.016 87 H GLU 11 H GLU 11 1.585 11.125 -17.740 88 HA GLU 11 HA GLU 11 -0.391 10.622 -19.614 89 HB2 GLU 11 HB2 GLU 11 -0.421 10.029 -16.649 90 HB3 GLU 11 HB3 GLU 11 -1.517 9.317 -17.827 91 HG2 GLU 11 HG2 GLU 11 0.695 8.585 -19.005 92 HG3 GLU 11 HG3 GLU 11 1.388 8.828 -17.403 93 H GLU 12 H GLU 12 -0.491 12.687 -16.755 94 HA GLU 12 HA GLU 12 -3.257 13.258 -16.845 95 HB2 GLU 12 HB2 GLU 12 -2.159 13.731 -14.813 96 HB3 GLU 12 HB3 GLU 12 -0.897 14.657 -15.613 97 HG2 GLU 12 HG2 GLU 12 -2.131 16.545 -15.690 98 HG3 GLU 12 HG3 GLU 12 -3.649 15.675 -15.903 99 H GLN 13 H GLN 13 -0.432 14.914 -18.200 100 HA GLN 13 HA GLN 13 -1.759 17.159 -19.219 101 HB2 GLN 13 HB2 GLN 13 0.852 16.175 -19.229 102 HB3 GLN 13 HB3 GLN 13 0.416 16.284 -20.929 103 HG2 GLN 13 HG2 GLN 13 0.250 18.554 -20.891 104 HG3 GLN 13 HG3 GLN 13 -0.194 18.603 -19.185 105 HE21 GLN 13 HE21 GLN 13 1.752 17.383 -17.895 106 HE22 GLN 13 HE22 GLN 13 3.280 18.144 -18.164 107 H GLN 14 H GLN 14 -0.872 14.124 -20.865 108 HA GLN 14 HA GLN 14 -2.107 14.747 -23.313 109 HB2 GLN 14 HB2 GLN 14 -1.985 12.306 -23.752 110 HB3 GLN 14 HB3 GLN 14 -0.465 12.984 -23.185 111 HG2 GLN 14 HG2 GLN 14 -1.094 12.188 -20.885 112 HG3 GLN 14 HG3 GLN 14 -2.426 11.315 -21.641 113 HE21 GLN 14 HE21 GLN 14 0.977 11.829 -22.504 114 HE22 GLN 14 HE22 GLN 14 1.366 10.154 -22.672 115 H GLU 15 H GLU 15 -3.311 13.206 -20.387 116 HA GLU 15 HA GLU 15 -5.784 12.339 -21.459 117 HB2 GLU 15 HB2 GLU 15 -4.663 12.714 -18.724 118 HB3 GLU 15 HB3 GLU 15 -6.406 12.554 -18.885 119 HG2 GLU 15 HG2 GLU 15 -4.623 10.569 -20.209 120 HG3 GLU 15 HG3 GLU 15 -4.917 10.459 -18.475 121 H TYR 16 H TYR 16 -4.684 15.357 -20.071 122 HA TYR 16 HA TYR 16 -7.285 16.503 -19.772 123 HB2 TYR 16 HB2 TYR 16 -4.554 17.268 -19.226 124 HB3 TYR 16 HB3 TYR 16 -5.416 18.588 -20.007 125 HD1 TYR 16 HD1 TYR 16 -7.440 19.544 -18.943 126 HD2 TYR 16 HD2 TYR 16 -5.055 16.614 -16.984 127 HE1 TYR 16 HE1 TYR 16 -8.492 20.130 -16.799 128 HE2 TYR 16 HE2 TYR 16 -6.103 17.191 -14.834 129 HH TYR 16 HH TYR 16 -7.391 18.715 -13.765 130 H LYS 17 H LYS 17 -4.639 17.068 -22.094 131 HA LYS 17 HA LYS 17 -6.005 18.852 -23.752 132 HB2 LYS 17 HB2 LYS 17 -4.341 18.244 -25.471 133 HB3 LYS 17 HB3 LYS 17 -3.601 18.551 -23.905 134 HG2 LYS 17 HG2 LYS 17 -3.510 16.111 -23.517 135 HG3 LYS 17 HG3 LYS 17 -4.140 15.861 -25.146 136 HD2 LYS 17 HD2 LYS 17 -1.997 17.615 -25.465 137 HD3 LYS 17 HD3 LYS 17 -1.442 16.433 -24.278 138 HE2 LYS 17 HE2 LYS 17 -2.650 14.826 -26.105 139 HE3 LYS 17 HE3 LYS 17 -2.036 16.115 -27.139 140 HZ1 LYS 17 HZ1 LYS 17 -0.183 14.866 -27.082 141 HZ2 LYS 17 HZ2 LYS 17 -0.590 14.101 -25.630 142 HZ3 LYS 17 HZ3 LYS 17 0.089 15.651 -25.608 143 H GLU 18 H GLU 18 -5.829 15.320 -23.828 144 HA GLU 18 HA GLU 18 -7.321 15.041 -26.238 145 HB2 GLU 18 HB2 GLU 18 -5.876 13.247 -25.597 146 HB3 GLU 18 HB3 GLU 18 -6.645 13.108 -24.022 147 HG2 GLU 18 HG2 GLU 18 -8.619 12.200 -24.968 148 HG3 GLU 18 HG3 GLU 18 -8.086 12.582 -26.605 149 H ALA 19 H ALA 19 -8.140 15.240 -22.845 150 HA ALA 19 HA ALA 19 -10.768 14.264 -22.960 151 HB1 ALA 19 HB1 ALA 19 -9.707 14.531 -20.839 152 HB2 ALA 19 HB2 ALA 19 -9.492 16.262 -21.103 153 HB3 ALA 19 HB3 ALA 19 -11.110 15.599 -20.875 154 H PHE 20 H PHE 20 -9.514 17.575 -23.266 155 HA PHE 20 HA PHE 20 -12.084 18.734 -23.704 156 HB2 PHE 20 HB2 PHE 20 -9.264 19.730 -24.038 157 HB3 PHE 20 HB3 PHE 20 -10.644 20.704 -24.533 158 HD1 PHE 20 HD1 PHE 20 -9.670 18.647 -21.570 159 HD2 PHE 20 HD2 PHE 20 -11.294 22.299 -23.033 160 HE1 PHE 20 HE1 PHE 20 -9.921 19.457 -19.261 161 HE2 PHE 20 HE2 PHE 20 -11.547 23.115 -20.726 162 HZ PHE 20 HZ PHE 20 -10.860 21.693 -18.836 163 H GLN 21 H GLN 21 -9.549 17.471 -25.766 164 HA GLN 21 HA GLN 21 -10.547 18.516 -28.209 165 HB2 GLN 21 HB2 GLN 21 -8.271 17.832 -28.164 166 HB3 GLN 21 HB3 GLN 21 -8.689 16.233 -27.562 167 HG2 GLN 21 HG2 GLN 21 -9.775 15.723 -29.698 168 HG3 GLN 21 HG3 GLN 21 -9.314 17.314 -30.299 169 HE21 GLN 21 HE21 GLN 21 -8.610 14.746 -31.380 170 HE22 GLN 21 HE22 GLN 21 -6.887 14.639 -31.339 171 H LEU 22 H LEU 22 -10.998 15.444 -26.512 172 HA LEU 22 HA LEU 22 -12.529 14.193 -28.537 173 HB2 LEU 22 HB2 LEU 22 -11.435 12.929 -26.776 174 HB3 LEU 22 HB3 LEU 22 -12.447 13.708 -25.562 175 HG LEU 22 HG LEU 22 -14.108 12.421 -27.513 176 HD11 LEU 22 HD11 LEU 22 -13.451 10.087 -27.006 177 HD12 LEU 22 HD12 LEU 22 -11.974 10.699 -26.261 178 HD13 LEU 22 HD13 LEU 22 -12.264 10.952 -27.982 179 HD21 LEU 22 HD21 LEU 22 -14.809 12.993 -25.265 180 HD22 LEU 22 HD22 LEU 22 -13.587 11.918 -24.584 181 HD23 LEU 22 HD23 LEU 22 -14.933 11.251 -25.508 182 H PHE 23 H PHE 23 -13.330 16.353 -25.906 183 HA PHE 23 HA PHE 23 -16.179 15.961 -26.208 184 HB2 PHE 23 HB2 PHE 23 -14.856 16.592 -24.047 185 HB3 PHE 23 HB3 PHE 23 -14.955 18.233 -24.678 186 HD1 PHE 23 HD1 PHE 23 -16.972 15.329 -23.600 187 HD2 PHE 23 HD2 PHE 23 -16.926 19.492 -24.484 188 HE1 PHE 23 HE1 PHE 23 -19.231 15.551 -22.652 189 HE2 PHE 23 HE2 PHE 23 -19.186 19.722 -23.537 190 HZ PHE 23 HZ PHE 23 -20.341 17.749 -22.620 191 H ASP 24 H ASP 24 -13.774 17.837 -27.685 192 HA ASP 24 HA ASP 24 -15.789 19.711 -28.738 193 HB2 ASP 24 HB2 ASP 24 -13.678 20.539 -27.428 194 HB3 ASP 24 HB3 ASP 24 -12.841 20.216 -28.944 195 H LYS 25 H LYS 25 -16.292 17.816 -30.166 196 HA LYS 25 HA LYS 25 -14.579 16.747 -32.055 197 HB2 LYS 25 HB2 LYS 25 -17.518 17.166 -31.896 198 HB3 LYS 25 HB3 LYS 25 -16.850 16.761 -33.472 199 HG2 LYS 25 HG2 LYS 25 -17.360 14.686 -32.643 200 HG3 LYS 25 HG3 LYS 25 -15.667 14.840 -32.169 201 HD2 LYS 25 HD2 LYS 25 -16.877 13.997 -30.289 202 HD3 LYS 25 HD3 LYS 25 -16.453 15.676 -29.945 203 HE2 LYS 25 HE2 LYS 25 -18.659 16.416 -30.392 204 HE3 LYS 25 HE3 LYS 25 -19.110 14.866 -31.101 205 HZ1 LYS 25 HZ1 LYS 25 -19.849 14.295 -29.106 206 HZ2 LYS 25 HZ2 LYS 25 -19.208 15.688 -28.387 207 HZ3 LYS 25 HZ3 LYS 25 -18.254 14.300 -28.544 208 H ASP 26 H ASP 26 -16.084 19.882 -31.961 209 HA ASP 26 HA ASP 26 -15.841 20.606 -34.660 210 HB2 ASP 26 HB2 ASP 26 -16.668 21.846 -32.278 211 HB3 ASP 26 HB3 ASP 26 -15.373 22.858 -32.914 212 H ASN 27 H ASN 27 -14.350 22.878 -34.831 213 HA ASN 27 HA ASN 27 -11.611 21.841 -34.549 214 HB2 ASN 27 HB2 ASN 27 -13.014 22.998 -36.762 215 HB3 ASN 27 HB3 ASN 27 -11.665 24.046 -36.336 216 HD21 ASN 27 HD21 ASN 27 -12.618 20.927 -37.501 217 HD22 ASN 27 HD22 ASN 27 -11.053 20.416 -38.024 218 H ASP 28 H ASP 28 -13.325 23.455 -32.631 219 HA ASP 28 HA ASP 28 -11.951 25.997 -32.474 220 HB2 ASP 28 HB2 ASP 28 -13.686 24.918 -30.282 221 HB3 ASP 28 HB3 ASP 28 -13.481 26.582 -30.824 222 H ASN 29 H ASN 29 -11.773 22.844 -30.997 223 HA ASN 29 HA ASN 29 -10.303 21.903 -29.539 224 HB2 ASN 29 HB2 ASN 29 -8.787 23.379 -31.252 225 HB3 ASN 29 HB3 ASN 29 -8.317 24.081 -29.706 226 HD21 ASN 29 HD21 ASN 29 -6.351 23.268 -29.386 227 HD22 ASN 29 HD22 ASN 29 -5.967 21.584 -29.341 228 H LYS 30 H LYS 30 -12.291 23.648 -28.487 229 HA LYS 30 HA LYS 30 -11.020 24.287 -25.940 230 HB2 LYS 30 HB2 LYS 30 -12.731 26.257 -27.469 231 HB3 LYS 30 HB3 LYS 30 -12.171 26.472 -25.816 232 HG2 LYS 30 HG2 LYS 30 -9.809 26.146 -26.882 233 HG3 LYS 30 HG3 LYS 30 -10.641 26.608 -28.368 234 HD2 LYS 30 HD2 LYS 30 -11.039 28.266 -25.923 235 HD3 LYS 30 HD3 LYS 30 -9.524 28.417 -26.815 236 HE2 LYS 30 HE2 LYS 30 -11.145 28.607 -28.879 237 HE3 LYS 30 HE3 LYS 30 -12.303 29.104 -27.647 238 HZ1 LYS 30 HZ1 LYS 30 -11.373 31.094 -28.257 239 HZ2 LYS 30 HZ2 LYS 30 -9.834 30.440 -28.517 240 HZ3 LYS 30 HZ3 LYS 30 -10.392 30.685 -26.940 241 H LEU 31 H LEU 31 -12.771 24.914 -24.291 242 HA LEU 31 HA LEU 31 -15.276 23.476 -24.827 243 HB2 LEU 31 HB2 LEU 31 -13.208 22.849 -22.858 244 HB3 LEU 31 HB3 LEU 31 -14.826 22.978 -22.171 245 HG LEU 31 HG LEU 31 -15.534 21.320 -23.987 246 HD11 LEU 31 HD11 LEU 31 -13.536 19.796 -24.563 247 HD12 LEU 31 HD12 LEU 31 -12.551 21.219 -24.226 248 HD13 LEU 31 HD13 LEU 31 -13.773 21.272 -25.497 249 HD21 LEU 31 HD21 LEU 31 -15.084 19.495 -22.581 250 HD22 LEU 31 HD22 LEU 31 -15.150 20.891 -21.506 251 HD23 LEU 31 HD23 LEU 31 -13.590 20.216 -21.979 252 H THR 32 H THR 32 -17.059 24.502 -24.152 253 HA THR 32 HA THR 32 -16.839 27.141 -23.073 254 HB THR 32 HB THR 32 -19.187 27.321 -23.330 255 HG1 THR 32 HG1 THR 32 -20.425 25.684 -22.845 256 HG21 THR 32 HG21 THR 32 -17.696 26.882 -25.424 257 HG22 THR 32 HG22 THR 32 -19.451 26.901 -25.593 258 HG23 THR 32 HG23 THR 32 -18.589 25.364 -25.513 259 H ALA 33 H ALA 33 -18.470 27.736 -21.243 260 HA ALA 33 HA ALA 33 -17.514 26.831 -18.833 261 HB1 ALA 33 HB1 ALA 33 -20.231 27.981 -19.452 262 HB2 ALA 33 HB2 ALA 33 -19.572 27.791 -17.827 263 HB3 ALA 33 HB3 ALA 33 -18.781 28.866 -18.979 264 H GLU 34 H GLU 34 -20.446 25.730 -20.519 265 HA GLU 34 HA GLU 34 -21.276 23.869 -18.597 266 HB2 GLU 34 HB2 GLU 34 -21.683 23.729 -21.589 267 HB3 GLU 34 HB3 GLU 34 -22.627 22.881 -20.371 268 HG2 GLU 34 HG2 GLU 34 -22.474 25.867 -20.707 269 HG3 GLU 34 HG3 GLU 34 -23.800 24.834 -21.238 270 H GLU 35 H GLU 35 -19.281 23.425 -21.506 271 HA GLU 35 HA GLU 35 -18.870 20.669 -21.237 272 HB2 GLU 35 HB2 GLU 35 -16.855 22.597 -22.385 273 HB3 GLU 35 HB3 GLU 35 -17.097 20.909 -22.813 274 HG2 GLU 35 HG2 GLU 35 -19.524 21.850 -23.412 275 HG3 GLU 35 HG3 GLU 35 -18.576 23.315 -23.665 276 H LEU 36 H LEU 36 -17.001 23.414 -20.000 277 HA LEU 36 HA LEU 36 -14.886 21.948 -18.886 278 HB2 LEU 36 HB2 LEU 36 -14.692 24.312 -19.175 279 HB3 LEU 36 HB3 LEU 36 -16.081 24.606 -18.131 280 HG LEU 36 HG LEU 36 -14.503 23.396 -16.359 281 HD11 LEU 36 HD11 LEU 36 -12.198 24.618 -16.934 282 HD12 LEU 36 HD12 LEU 36 -12.729 24.228 -18.570 283 HD13 LEU 36 HD13 LEU 36 -12.536 22.945 -17.376 284 HD21 LEU 36 HD21 LEU 36 -13.621 25.761 -15.851 285 HD22 LEU 36 HD22 LEU 36 -15.364 25.491 -15.831 286 HD23 LEU 36 HD23 LEU 36 -14.607 26.262 -17.224 287 H GLY 37 H GLY 37 -18.082 22.743 -17.659 288 HA2 GLY 37 HA2 GLY 37 -17.677 22.049 -14.964 289 HA3 GLY 37 HA3 GLY 37 -19.224 22.037 -15.799 290 H THR 38 H THR 38 -18.427 20.083 -17.780 291 HA THR 38 HA THR 38 -19.084 17.723 -16.338 292 HB THR 38 HB THR 38 -18.139 18.044 -19.193 293 HG1 THR 38 HG1 THR 38 -20.092 18.962 -19.166 294 HG21 THR 38 HG21 THR 38 -18.509 15.693 -17.611 295 HG22 THR 38 HG22 THR 38 -18.062 15.821 -19.312 296 HG23 THR 38 HG23 THR 38 -19.762 15.753 -18.850 297 H VAL 39 H VAL 39 -16.114 18.860 -17.919 298 HA VAL 39 HA VAL 39 -14.595 16.542 -17.236 299 HB VAL 39 HB VAL 39 -13.956 17.914 -19.143 300 HG11 VAL 39 HG11 VAL 39 -14.660 20.086 -18.239 301 HG12 VAL 39 HG12 VAL 39 -13.288 20.059 -17.130 302 HG13 VAL 39 HG13 VAL 39 -13.015 20.135 -18.870 303 HG21 VAL 39 HG21 VAL 39 -11.543 18.509 -17.790 304 HG22 VAL 39 HG22 VAL 39 -12.210 17.043 -17.070 305 HG23 VAL 39 HG23 VAL 39 -11.910 17.116 -18.806 306 H MET 40 H MET 40 -15.090 19.707 -15.780 307 HA MET 40 HA MET 40 -13.048 19.438 -13.811 308 HB2 MET 40 HB2 MET 40 -14.234 21.580 -14.671 309 HB3 MET 40 HB3 MET 40 -15.468 21.185 -13.482 310 HG2 MET 40 HG2 MET 40 -14.260 22.294 -11.999 311 HG3 MET 40 HG3 MET 40 -13.081 20.987 -12.088 312 HE1 MET 40 HE1 MET 40 -13.905 24.378 -12.259 313 HE2 MET 40 HE2 MET 40 -12.493 25.231 -12.883 314 HE3 MET 40 HE3 MET 40 -13.768 24.710 -13.986 315 H ARG 41 H ARG 41 -16.461 18.636 -13.957 316 HA ARG 41 HA ARG 41 -17.006 18.230 -11.267 317 HB2 ARG 41 HB2 ARG 41 -18.141 17.331 -13.822 318 HB3 ARG 41 HB3 ARG 41 -18.441 16.233 -12.481 319 HG2 ARG 41 HG2 ARG 41 -19.111 18.510 -11.283 320 HG3 ARG 41 HG3 ARG 41 -19.444 18.975 -12.952 321 HD2 ARG 41 HD2 ARG 41 -20.490 16.428 -11.744 322 HD3 ARG 41 HD3 ARG 41 -21.365 17.955 -11.634 323 HE ARG 41 HE ARG 41 -21.208 16.244 -13.896 324 HH11 ARG 41 HH11 ARG 41 -21.383 19.592 -12.958 325 HH12 ARG 41 HH12 ARG 41 -22.135 20.101 -14.433 326 HH21 ARG 41 HH21 ARG 41 -22.198 16.902 -15.843 327 HH22 ARG 41 HH22 ARG 41 -22.599 18.570 -16.073 328 H ALA 42 H ALA 42 -15.331 16.170 -13.564 329 HA ALA 42 HA ALA 42 -15.300 13.794 -12.076 330 HB1 ALA 42 HB1 ALA 42 -13.179 14.776 -13.980 331 HB2 ALA 42 HB2 ALA 42 -13.471 13.107 -13.492 332 HB3 ALA 42 HB3 ALA 42 -14.671 13.965 -14.459 333 H LEU 43 H LEU 43 -13.702 16.764 -11.556 334 HA LEU 43 HA LEU 43 -11.799 15.497 -9.702 335 HB2 LEU 43 HB2 LEU 43 -11.716 18.305 -10.787 336 HB3 LEU 43 HB3 LEU 43 -10.464 17.485 -9.856 337 HG LEU 43 HG LEU 43 -11.300 16.898 -12.692 338 HD11 LEU 43 HD11 LEU 43 -9.798 18.484 -13.124 339 HD12 LEU 43 HD12 LEU 43 -8.582 17.326 -12.585 340 HD13 LEU 43 HD13 LEU 43 -9.228 18.517 -11.455 341 HD21 LEU 43 HD21 LEU 43 -9.192 15.361 -12.446 342 HD22 LEU 43 HD22 LEU 43 -10.787 14.780 -11.969 343 HD23 LEU 43 HD23 LEU 43 -9.655 15.354 -10.743 344 H GLY 44 H GLY 44 -14.458 17.716 -9.982 345 HA2 GLY 44 HA2 GLY 44 -14.370 18.092 -7.053 346 HA3 GLY 44 HA3 GLY 44 -14.802 19.403 -8.140 347 H ALA 45 H ALA 45 -16.829 19.430 -9.111 348 HA ALA 45 HA ALA 45 -19.065 19.043 -9.305 349 HB1 ALA 45 HB1 ALA 45 -19.858 16.794 -9.389 350 HB2 ALA 45 HB2 ALA 45 -18.251 16.823 -10.115 351 HB3 ALA 45 HB3 ALA 45 -18.467 16.210 -8.475 352 H ASN 46 H ASN 46 -17.600 19.478 -6.604 353 HA ASN 46 HA ASN 46 -19.293 18.350 -4.616 354 HB2 ASN 46 HB2 ASN 46 -16.974 20.088 -4.707 355 HB3 ASN 46 HB3 ASN 46 -18.150 20.659 -3.526 356 HD21 ASN 46 HD21 ASN 46 -18.505 19.501 -1.689 357 HD22 ASN 46 HD22 ASN 46 -17.571 18.120 -1.236 358 HA PRO 47 HA PRO 47 -21.321 22.726 -4.441 359 HB2 PRO 47 HB2 PRO 47 -20.643 24.503 -6.377 360 HB3 PRO 47 HB3 PRO 47 -19.760 24.361 -4.853 361 HG2 PRO 47 HG2 PRO 47 -19.090 23.227 -7.541 362 HG3 PRO 47 HG3 PRO 47 -18.024 24.010 -6.359 363 HD2 PRO 47 HD2 PRO 47 -18.162 21.320 -6.642 364 HD3 PRO 47 HD3 PRO 47 -17.832 22.101 -5.082 365 H THR 48 H THR 48 -22.672 24.184 -6.179 366 HA THR 48 HA THR 48 -24.089 22.192 -7.779 367 HB THR 48 HB THR 48 -25.058 25.006 -7.506 368 HG1 THR 48 HG1 THR 48 -25.491 23.054 -5.485 369 HG21 THR 48 HG21 THR 48 -26.515 23.746 -8.793 370 HG22 THR 48 HG22 THR 48 -27.223 23.587 -7.186 371 HG23 THR 48 HG23 THR 48 -26.243 22.280 -7.852 372 H LYS 49 H LYS 49 -24.754 22.640 -9.951 373 HA LYS 49 HA LYS 49 -22.735 23.476 -11.652 374 HB2 LYS 49 HB2 LYS 49 -25.498 22.643 -11.900 375 HB3 LYS 49 HB3 LYS 49 -25.114 23.904 -13.065 376 HG2 LYS 49 HG2 LYS 49 -23.824 22.549 -14.292 377 HG3 LYS 49 HG3 LYS 49 -23.097 21.792 -12.873 378 HD2 LYS 49 HD2 LYS 49 -24.283 19.997 -13.555 379 HD3 LYS 49 HD3 LYS 49 -25.604 20.809 -12.709 380 HE2 LYS 49 HE2 LYS 49 -26.740 20.971 -14.610 381 HE3 LYS 49 HE3 LYS 49 -25.419 21.880 -15.341 382 HZ1 LYS 49 HZ1 LYS 49 -25.636 18.919 -15.262 383 HZ2 LYS 49 HZ2 LYS 49 -24.379 19.798 -15.976 384 HZ3 LYS 49 HZ3 LYS 49 -25.944 19.892 -16.611 385 H GLN 50 H GLN 50 -25.455 25.300 -10.341 386 HA GLN 50 HA GLN 50 -25.063 27.632 -11.892 387 HB2 GLN 50 HB2 GLN 50 -26.536 26.994 -9.370 388 HB3 GLN 50 HB3 GLN 50 -26.311 28.678 -9.824 389 HG2 GLN 50 HG2 GLN 50 -28.394 28.100 -10.693 390 HG3 GLN 50 HG3 GLN 50 -27.303 28.035 -12.076 391 HE21 GLN 50 HE21 GLN 50 -27.130 26.194 -13.195 392 HE22 GLN 50 HE22 GLN 50 -27.895 24.703 -12.771 393 H LYS 51 H LYS 51 -23.771 26.546 -8.808 394 HA LYS 51 HA LYS 51 -22.540 29.013 -8.107 395 HB2 LYS 51 HB2 LYS 51 -21.649 26.284 -7.187 396 HB3 LYS 51 HB3 LYS 51 -21.493 27.817 -6.340 397 HG2 LYS 51 HG2 LYS 51 -24.232 27.489 -6.783 398 HG3 LYS 51 HG3 LYS 51 -23.635 25.906 -6.281 399 HD2 LYS 51 HD2 LYS 51 -23.087 26.624 -4.197 400 HD3 LYS 51 HD3 LYS 51 -22.665 28.246 -4.750 401 HE2 LYS 51 HE2 LYS 51 -24.835 28.995 -4.636 402 HE3 LYS 51 HE3 LYS 51 -25.515 27.383 -4.855 403 HZ1 LYS 51 HZ1 LYS 51 -25.762 27.274 -2.671 404 HZ2 LYS 51 HZ2 LYS 51 -24.994 28.767 -2.455 405 HZ3 LYS 51 HZ3 LYS 51 -24.082 27.342 -2.478 406 H ILE 52 H ILE 52 -21.267 25.997 -9.506 407 HA ILE 52 HA ILE 52 -18.619 26.906 -9.816 408 HB ILE 52 HB ILE 52 -19.208 24.527 -9.900 409 HG12 ILE 52 HG12 ILE 52 -17.951 25.514 -12.471 410 HG13 ILE 52 HG13 ILE 52 -17.112 25.316 -10.936 411 HG21 ILE 52 HG21 ILE 52 -20.290 23.549 -11.823 412 HG22 ILE 52 HG22 ILE 52 -21.328 24.798 -11.137 413 HG23 ILE 52 HG23 ILE 52 -20.404 25.127 -12.602 414 HD11 ILE 52 HD11 ILE 52 -17.511 23.418 -12.987 415 HD12 ILE 52 HD12 ILE 52 -16.672 23.217 -11.449 416 HD13 ILE 52 HD13 ILE 52 -18.397 22.868 -11.566 417 H SER 53 H SER 53 -21.464 27.156 -11.855 418 HA SER 53 HA SER 53 -20.150 27.995 -14.214 419 HB2 SER 53 HB2 SER 53 -22.330 28.629 -15.012 420 HB3 SER 53 HB3 SER 53 -22.514 27.146 -14.077 421 HG SER 53 HG SER 53 -22.887 28.863 -12.288 422 H GLU 54 H GLU 54 -21.281 29.688 -11.365 423 HA GLU 54 HA GLU 54 -21.008 32.312 -12.459 424 HB2 GLU 54 HB2 GLU 54 -21.897 31.136 -9.994 425 HB3 GLU 54 HB3 GLU 54 -20.766 32.436 -9.646 426 HG2 GLU 54 HG2 GLU 54 -22.100 33.988 -10.934 427 HG3 GLU 54 HG3 GLU 54 -23.207 32.692 -11.387 428 H ILE 55 H ILE 55 -18.901 30.093 -10.774 429 HA ILE 55 HA ILE 55 -16.863 32.021 -10.199 430 HB ILE 55 HB ILE 55 -16.710 29.004 -10.269 431 HG12 ILE 55 HG12 ILE 55 -18.312 29.918 -8.615 432 HG13 ILE 55 HG13 ILE 55 -16.938 29.130 -7.848 433 HG21 ILE 55 HG21 ILE 55 -14.499 29.469 -10.304 434 HG22 ILE 55 HG22 ILE 55 -14.722 31.108 -9.694 435 HG23 ILE 55 HG23 ILE 55 -14.759 29.739 -8.581 436 HD11 ILE 55 HD11 ILE 55 -16.364 31.904 -8.209 437 HD12 ILE 55 HD12 ILE 55 -17.920 31.717 -7.402 438 HD13 ILE 55 HD13 ILE 55 -16.476 30.970 -6.718 439 H VAL 56 H VAL 56 -17.365 29.571 -12.706 440 HA VAL 56 HA VAL 56 -14.873 30.011 -14.010 441 HB VAL 56 HB VAL 56 -16.085 27.915 -14.305 442 HG11 VAL 56 HG11 VAL 56 -18.120 29.499 -15.868 443 HG12 VAL 56 HG12 VAL 56 -18.137 27.764 -15.546 444 HG13 VAL 56 HG13 VAL 56 -18.362 28.909 -14.224 445 HG21 VAL 56 HG21 VAL 56 -15.958 27.772 -16.786 446 HG22 VAL 56 HG22 VAL 56 -15.752 29.523 -16.834 447 HG23 VAL 56 HG23 VAL 56 -14.539 28.515 -16.045 448 H LYS 57 H LYS 57 -18.137 31.275 -14.446 449 HA LYS 57 HA LYS 57 -17.526 32.718 -16.838 450 HB2 LYS 57 HB2 LYS 57 -19.725 33.558 -16.722 451 HB3 LYS 57 HB3 LYS 57 -19.825 31.929 -16.067 452 HG2 LYS 57 HG2 LYS 57 -20.928 32.865 -14.375 453 HG3 LYS 57 HG3 LYS 57 -19.346 33.429 -13.829 454 HD2 LYS 57 HD2 LYS 57 -19.661 35.528 -15.013 455 HD3 LYS 57 HD3 LYS 57 -21.209 34.962 -15.644 456 HE2 LYS 57 HE2 LYS 57 -20.951 34.812 -12.727 457 HE3 LYS 57 HE3 LYS 57 -20.888 36.447 -13.381 458 HZ1 LYS 57 HZ1 LYS 57 -23.063 34.459 -13.677 459 HZ2 LYS 57 HZ2 LYS 57 -22.968 35.856 -14.628 460 HZ3 LYS 57 HZ3 LYS 57 -23.140 35.984 -12.951 461 H ASP 58 H ASP 58 -17.130 33.307 -13.472 462 HA ASP 58 HA ASP 58 -16.811 36.184 -13.854 463 HB2 ASP 58 HB2 ASP 58 -18.028 35.259 -11.860 464 HB3 ASP 58 HB3 ASP 58 -16.497 34.587 -11.307 465 H TYR 59 H TYR 59 -14.936 33.298 -13.485 466 HA TYR 59 HA TYR 59 -12.489 34.696 -12.837 467 HB2 TYR 59 HB2 TYR 59 -13.050 32.364 -12.035 468 HB3 TYR 59 HB3 TYR 59 -12.792 31.813 -13.687 469 HD1 TYR 59 HD1 TYR 59 -11.064 33.710 -10.974 470 HD2 TYR 59 HD2 TYR 59 -10.678 31.104 -14.316 471 HE1 TYR 59 HE1 TYR 59 -8.657 33.489 -10.517 472 HE2 TYR 59 HE2 TYR 59 -8.270 30.875 -13.866 473 HH TYR 59 HH TYR 59 -6.842 31.504 -11.128 474 H ASP 60 H ASP 60 -14.117 33.497 -15.664 475 HA ASP 60 HA ASP 60 -11.769 34.143 -17.315 476 HB2 ASP 60 HB2 ASP 60 -14.220 32.547 -18.086 477 HB3 ASP 60 HB3 ASP 60 -12.768 32.772 -19.057 478 H LYS 61 H LYS 61 -12.561 36.426 -16.745 479 HA LYS 61 HA LYS 61 -14.632 37.273 -18.661 480 HB2 LYS 61 HB2 LYS 61 -14.981 39.227 -17.281 481 HB3 LYS 61 HB3 LYS 61 -15.103 37.785 -16.282 482 HG2 LYS 61 HG2 LYS 61 -12.713 38.176 -15.610 483 HG3 LYS 61 HG3 LYS 61 -12.822 39.738 -16.424 484 HD2 LYS 61 HD2 LYS 61 -14.258 40.605 -14.861 485 HD3 LYS 61 HD3 LYS 61 -14.924 39.026 -14.439 486 HE2 LYS 61 HE2 LYS 61 -12.643 38.513 -13.433 487 HE3 LYS 61 HE3 LYS 61 -12.304 40.236 -13.595 488 HZ1 LYS 61 HZ1 LYS 61 -13.571 40.711 -11.841 489 HZ2 LYS 61 HZ2 LYS 61 -13.514 39.060 -11.474 490 HZ3 LYS 61 HZ3 LYS 61 -14.826 39.691 -12.336 491 H ASP 62 H ASP 62 -11.323 37.272 -18.062 492 HA ASP 62 HA ASP 62 -10.779 39.769 -19.447 493 HB2 ASP 62 HB2 ASP 62 -8.547 39.509 -18.804 494 HB3 ASP 62 HB3 ASP 62 -9.431 38.786 -17.462 495 H ASN 63 H ASN 63 -11.865 36.994 -20.534 496 HA ASN 63 HA ASN 63 -10.551 37.290 -23.106 497 HB2 ASN 63 HB2 ASN 63 -9.079 35.666 -22.177 498 HB3 ASN 63 HB3 ASN 63 -10.413 34.754 -21.475 499 HD21 ASN 63 HD21 ASN 63 -9.906 36.085 -24.719 500 HD22 ASN 63 HD22 ASN 63 -10.071 34.579 -25.549 501 H SER 64 H SER 64 -12.535 34.763 -21.564 502 HA SER 64 HA SER 64 -14.990 35.533 -22.656 503 HB2 SER 64 HB2 SER 64 -13.347 34.592 -24.660 504 HB3 SER 64 HB3 SER 64 -14.278 33.160 -24.222 505 HG SER 64 HG SER 64 -16.130 34.787 -24.346 506 H GLY 65 H GLY 65 -16.284 33.175 -23.086 507 HA2 GLY 65 HA2 GLY 65 -16.018 31.893 -20.454 508 HA3 GLY 65 HA3 GLY 65 -17.462 31.886 -21.456 509 H LYS 66 H LYS 66 -14.234 31.187 -22.643 510 HA LYS 66 HA LYS 66 -15.052 28.380 -23.020 511 HB2 LYS 66 HB2 LYS 66 -13.959 30.357 -24.905 512 HB3 LYS 66 HB3 LYS 66 -13.162 28.791 -24.954 513 HG2 LYS 66 HG2 LYS 66 -14.784 28.175 -26.342 514 HG3 LYS 66 HG3 LYS 66 -15.831 28.127 -24.922 515 HD2 LYS 66 HD2 LYS 66 -15.422 30.507 -26.732 516 HD3 LYS 66 HD3 LYS 66 -16.827 29.439 -26.736 517 HE2 LYS 66 HE2 LYS 66 -17.086 30.064 -24.274 518 HE3 LYS 66 HE3 LYS 66 -15.938 31.360 -24.604 519 HZ1 LYS 66 HZ1 LYS 66 -17.670 31.717 -26.588 520 HZ2 LYS 66 HZ2 LYS 66 -17.806 32.486 -25.087 521 HZ3 LYS 66 HZ3 LYS 66 -18.712 31.095 -25.410 522 H PHE 67 H PHE 67 -13.157 26.886 -23.318 523 HA PHE 67 HA PHE 67 -10.889 27.723 -21.635 524 HB2 PHE 67 HB2 PHE 67 -12.760 25.525 -21.268 525 HB3 PHE 67 HB3 PHE 67 -11.093 24.966 -21.321 526 HD1 PHE 67 HD1 PHE 67 -13.336 27.399 -19.646 527 HD2 PHE 67 HD2 PHE 67 -9.713 25.173 -19.457 528 HE1 PHE 67 HE1 PHE 67 -13.037 28.092 -17.305 529 HE2 PHE 67 HE2 PHE 67 -9.408 25.861 -17.115 530 HZ PHE 67 HZ PHE 67 -11.071 27.322 -16.035 531 H ASP 68 H ASP 68 -8.913 27.341 -22.433 532 HA ASP 68 HA ASP 68 -8.725 25.730 -24.894 533 HB2 ASP 68 HB2 ASP 68 -8.228 28.071 -25.309 534 HB3 ASP 68 HB3 ASP 68 -7.054 28.086 -23.997 535 H GLN 69 H GLN 69 -7.219 24.141 -25.045 536 HA GLN 69 HA GLN 69 -6.316 22.799 -22.833 537 HB2 GLN 69 HB2 GLN 69 -5.253 22.890 -25.647 538 HB3 GLN 69 HB3 GLN 69 -4.543 21.840 -24.428 539 HG2 GLN 69 HG2 GLN 69 -6.069 20.519 -25.634 540 HG3 GLN 69 HG3 GLN 69 -6.834 20.868 -24.084 541 HE21 GLN 69 HE21 GLN 69 -8.631 22.182 -24.012 542 HE22 GLN 69 HE22 GLN 69 -9.512 22.640 -25.426 543 H GLU 70 H GLU 70 -4.548 25.219 -24.733 544 HA GLU 70 HA GLU 70 -2.095 25.095 -23.455 545 HB2 GLU 70 HB2 GLU 70 -3.045 26.584 -25.459 546 HB3 GLU 70 HB3 GLU 70 -3.135 27.786 -24.179 547 HG2 GLU 70 HG2 GLU 70 -0.943 28.126 -24.207 548 HG3 GLU 70 HG3 GLU 70 -0.594 26.397 -24.186 549 H THR 71 H THR 71 -5.042 26.761 -22.487 550 HA THR 71 HA THR 71 -4.021 28.315 -20.405 551 HB THR 71 HB THR 71 -6.746 27.007 -20.515 552 HG1 THR 71 HG1 THR 71 -7.285 29.157 -21.401 553 HG21 THR 71 HG21 THR 71 -6.697 29.610 -19.327 554 HG22 THR 71 HG22 THR 71 -5.519 28.579 -18.516 555 HG23 THR 71 HG23 THR 71 -7.206 28.078 -18.617 556 H PHE 72 H PHE 72 -5.277 24.994 -20.360 557 HA PHE 72 HA PHE 72 -4.997 24.581 -17.588 558 HB2 PHE 72 HB2 PHE 72 -6.314 22.940 -18.479 559 HB3 PHE 72 HB3 PHE 72 -5.388 22.859 -19.974 560 HD1 PHE 72 HD1 PHE 72 -5.417 21.831 -16.425 561 HD2 PHE 72 HD2 PHE 72 -3.706 21.246 -20.279 562 HE1 PHE 72 HE1 PHE 72 -4.299 19.795 -15.616 563 HE2 PHE 72 HE2 PHE 72 -2.586 19.208 -19.475 564 HZ PHE 72 HZ PHE 72 -2.881 18.481 -17.141 565 H LEU 73 H LEU 73 -2.855 23.735 -20.300 566 HA LEU 73 HA LEU 73 -0.831 22.514 -18.826 567 HB2 LEU 73 HB2 LEU 73 -0.929 23.929 -21.451 568 HB3 LEU 73 HB3 LEU 73 0.631 23.454 -20.783 569 HG LEU 73 HG LEU 73 -1.105 21.200 -20.682 570 HD11 LEU 73 HD11 LEU 73 -2.488 22.000 -22.384 571 HD12 LEU 73 HD12 LEU 73 -1.323 20.977 -23.222 572 HD13 LEU 73 HD13 LEU 73 -1.144 22.731 -23.261 573 HD21 LEU 73 HD21 LEU 73 1.334 21.882 -22.318 574 HD22 LEU 73 HD22 LEU 73 0.617 20.274 -22.221 575 HD23 LEU 73 HD23 LEU 73 1.285 21.030 -20.774 576 H THR 74 H THR 74 -1.449 25.910 -19.488 577 HA THR 74 HA THR 74 1.027 26.875 -18.465 578 HB THR 74 HB THR 74 -1.602 28.338 -18.777 579 HG1 THR 74 HG1 THR 74 -0.813 28.914 -20.782 580 HG21 THR 74 HG21 THR 74 0.875 29.128 -17.594 581 HG22 THR 74 HG22 THR 74 -0.592 30.079 -17.822 582 HG23 THR 74 HG23 THR 74 0.639 30.038 -19.085 583 H ILE 75 H ILE 75 -2.172 26.343 -17.076 584 HA ILE 75 HA ILE 75 -1.655 27.599 -14.589 585 HB ILE 75 HB ILE 75 -3.657 25.449 -15.285 586 HG12 ILE 75 HG12 ILE 75 -4.367 28.305 -14.793 587 HG13 ILE 75 HG13 ILE 75 -3.636 27.887 -16.338 588 HG21 ILE 75 HG21 ILE 75 -4.694 26.816 -13.167 589 HG22 ILE 75 HG22 ILE 75 -3.863 25.265 -13.061 590 HG23 ILE 75 HG23 ILE 75 -2.980 26.762 -12.759 591 HD11 ILE 75 HD11 ILE 75 -5.415 26.392 -16.853 592 HD12 ILE 75 HD12 ILE 75 -6.087 26.546 -15.231 593 HD13 ILE 75 HD13 ILE 75 -6.122 27.922 -16.334 594 H MET 76 H MET 76 -1.584 24.188 -15.603 595 HA MET 76 HA MET 76 -0.746 23.190 -13.087 596 HB2 MET 76 HB2 MET 76 -0.183 21.126 -14.359 597 HB3 MET 76 HB3 MET 76 -1.813 21.712 -14.662 598 HG2 MET 76 HG2 MET 76 -1.255 21.360 -16.803 599 HG3 MET 76 HG3 MET 76 -0.504 22.948 -16.653 600 HE1 MET 76 HE1 MET 76 0.357 19.441 -15.310 601 HE2 MET 76 HE2 MET 76 0.211 19.027 -17.019 602 HE3 MET 76 HE3 MET 76 1.788 18.974 -16.229 603 H LEU 77 H LEU 77 0.926 24.624 -15.755 604 HA LEU 77 HA LEU 77 3.522 23.616 -15.045 605 HB2 LEU 77 HB2 LEU 77 2.437 25.537 -17.036 606 HB3 LEU 77 HB3 LEU 77 4.147 25.647 -16.623 607 HG LEU 77 HG LEU 77 2.760 23.213 -17.745 608 HD11 LEU 77 HD11 LEU 77 4.825 24.913 -19.106 609 HD12 LEU 77 HD12 LEU 77 3.098 25.238 -19.258 610 HD13 LEU 77 HD13 LEU 77 3.757 23.697 -19.807 611 HD21 LEU 77 HD21 LEU 77 4.526 22.049 -17.081 612 HD22 LEU 77 HD22 LEU 77 5.196 23.486 -16.309 613 HD23 LEU 77 HD23 LEU 77 5.583 23.130 -17.992 614 H GLU 78 H GLU 78 1.729 26.621 -14.562 615 HA GLU 78 HA GLU 78 3.894 27.985 -13.289 616 HB2 GLU 78 HB2 GLU 78 2.060 29.180 -14.428 617 HB3 GLU 78 HB3 GLU 78 0.930 28.582 -13.222 618 HG2 GLU 78 HG2 GLU 78 1.400 30.744 -12.527 619 HG3 GLU 78 HG3 GLU 78 2.433 29.742 -11.508 620 H TYR 79 H TYR 79 1.339 25.874 -12.240 621 HA TYR 79 HA TYR 79 1.777 26.498 -9.431 622 HB2 TYR 79 HB2 TYR 79 -0.288 25.121 -10.998 623 HB3 TYR 79 HB3 TYR 79 0.089 24.335 -9.469 624 HD1 TYR 79 HD1 TYR 79 0.095 25.865 -7.365 625 HD2 TYR 79 HD2 TYR 79 -1.788 26.895 -11.039 626 HE1 TYR 79 HE1 TYR 79 -1.323 27.486 -6.177 627 HE2 TYR 79 HE2 TYR 79 -3.211 28.519 -9.861 628 HH TYR 79 HH TYR 79 -4.070 28.772 -7.404 629 H GLY 80 H GLY 80 2.467 23.971 -11.764 630 HA2 GLY 80 HA2 GLY 80 3.733 22.058 -11.627 631 HA3 GLY 80 HA3 GLY 80 4.705 22.976 -10.486 632 H GLN 81 H GLN 81 1.358 22.280 -9.831 633 HA GLN 81 HA GLN 81 1.935 19.935 -8.253 634 HB2 GLN 81 HB2 GLN 81 1.380 22.603 -6.995 635 HB3 GLN 81 HB3 GLN 81 0.880 21.120 -6.193 636 HG2 GLN 81 HG2 GLN 81 3.431 20.499 -6.736 637 HG3 GLN 81 HG3 GLN 81 3.571 22.250 -6.591 638 HE21 GLN 81 HE21 GLN 81 4.588 20.093 -4.878 639 HE22 GLN 81 HE22 GLN 81 3.964 20.415 -3.299 640 H GLU 82 H GLU 82 0.147 20.957 -10.452 641 HA GLU 82 HA GLU 82 -2.484 21.252 -9.684 642 HB2 GLU 82 HB2 GLU 82 -1.183 20.997 -12.074 643 HB3 GLU 82 HB3 GLU 82 -2.108 19.503 -12.018 644 HG2 GLU 82 HG2 GLU 82 -3.712 21.785 -11.255 645 HG3 GLU 82 HG3 GLU 82 -3.002 21.983 -12.856 646 H VAL 83 H VAL 83 -4.256 19.582 -10.053 647 HA VAL 83 HA VAL 83 -3.486 16.898 -9.179 648 HB VAL 83 HB VAL 83 -5.343 16.890 -7.507 649 HG11 VAL 83 HG11 VAL 83 -3.052 17.110 -6.769 650 HG12 VAL 83 HG12 VAL 83 -3.099 18.853 -7.048 651 HG13 VAL 83 HG13 VAL 83 -4.092 18.134 -5.779 652 HG21 VAL 83 HG21 VAL 83 -5.365 19.764 -7.123 653 HG22 VAL 83 HG22 VAL 83 -6.024 19.298 -8.691 654 HG23 VAL 83 HG23 VAL 83 -6.710 18.627 -7.212 655 H ASP 84 H ASP 84 -5.203 15.311 -9.440 656 HA ASP 84 HA ASP 84 -7.579 16.013 -10.889 657 HB2 ASP 84 HB2 ASP 84 -7.081 14.824 -12.942 658 HB3 ASP 84 HB3 ASP 84 -5.866 16.074 -12.686 659 H SER 85 H SER 85 -8.280 13.625 -11.976 660 HA SER 85 HA SER 85 -9.155 11.585 -11.477 661 HB2 SER 85 HB2 SER 85 -7.060 11.174 -9.366 662 HB3 SER 85 HB3 SER 85 -7.770 9.998 -10.470 663 HG SER 85 HG SER 85 -5.850 10.384 -11.373 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.153 -4.495 -14.658 2 HA MET 1 HA MET 1 -0.328 -6.170 -13.025 3 HB2 MET 1 HB2 MET 1 2.488 -6.993 -13.694 4 HB3 MET 1 HB3 MET 1 1.683 -7.566 -12.241 5 HG2 MET 1 HG2 MET 1 0.214 -8.875 -13.399 6 HG3 MET 1 HG3 MET 1 0.286 -7.869 -14.844 7 HE1 MET 1 HE1 MET 1 2.521 -7.684 -16.306 8 HE2 MET 1 HE2 MET 1 3.060 -9.242 -16.933 9 HE3 MET 1 HE3 MET 1 1.348 -8.825 -16.963 10 H SER 2 H SER 2 -0.001 -3.551 -12.636 11 HA SER 2 HA SER 2 0.841 -3.350 -9.969 12 HB2 SER 2 HB2 SER 2 2.953 -2.505 -10.015 13 HB3 SER 2 HB3 SER 2 3.041 -3.364 -11.554 14 HG SER 2 HG SER 2 3.712 -1.193 -11.762 15 H GLU 3 H GLU 3 0.550 -1.213 -9.087 16 HA GLU 3 HA GLU 3 -1.647 0.148 -10.139 17 HB2 GLU 3 HB2 GLU 3 -1.228 1.836 -8.442 18 HB3 GLU 3 HB3 GLU 3 -0.984 0.231 -7.768 19 HG2 GLU 3 HG2 GLU 3 1.402 0.477 -7.909 20 HG3 GLU 3 HG3 GLU 3 1.228 2.023 -8.738 21 H GLN 4 H GLN 4 -1.498 2.677 -10.424 22 HA GLN 4 HA GLN 4 0.808 3.486 -11.998 23 HB2 GLN 4 HB2 GLN 4 -1.980 3.422 -13.164 24 HB3 GLN 4 HB3 GLN 4 -0.576 4.158 -13.927 25 HG2 GLN 4 HG2 GLN 4 0.513 1.952 -13.991 26 HG3 GLN 4 HG3 GLN 4 -0.941 1.238 -13.296 27 HE21 GLN 4 HE21 GLN 4 -1.644 0.001 -14.928 28 HE22 GLN 4 HE22 GLN 4 -2.060 0.585 -16.500 29 H LYS 5 H LYS 5 1.058 5.707 -12.163 30 HA LYS 5 HA LYS 5 -0.771 7.280 -10.477 31 HB2 LYS 5 HB2 LYS 5 1.685 7.037 -9.825 32 HB3 LYS 5 HB3 LYS 5 2.049 8.042 -11.222 33 HG2 LYS 5 HG2 LYS 5 1.103 9.922 -10.286 34 HG3 LYS 5 HG3 LYS 5 0.078 8.990 -9.192 35 HD2 LYS 5 HD2 LYS 5 3.052 8.860 -8.914 36 HD3 LYS 5 HD3 LYS 5 2.171 10.248 -8.270 37 HE2 LYS 5 HE2 LYS 5 1.174 7.522 -7.624 38 HE3 LYS 5 HE3 LYS 5 2.633 8.087 -6.813 39 HZ1 LYS 5 HZ1 LYS 5 0.738 8.639 -5.488 40 HZ2 LYS 5 HZ2 LYS 5 -0.030 9.399 -6.790 41 HZ3 LYS 5 HZ3 LYS 5 1.370 10.074 -6.122 42 H LYS 6 H LYS 6 -2.169 8.420 -11.639 43 HA LYS 6 HA LYS 6 -1.277 9.569 -14.198 44 HB2 LYS 6 HB2 LYS 6 -3.778 9.813 -14.614 45 HB3 LYS 6 HB3 LYS 6 -3.139 8.176 -14.609 46 HG2 LYS 6 HG2 LYS 6 -4.115 9.153 -12.014 47 HG3 LYS 6 HG3 LYS 6 -5.343 8.950 -13.266 48 HD2 LYS 6 HD2 LYS 6 -3.909 6.655 -13.543 49 HD3 LYS 6 HD3 LYS 6 -3.776 6.938 -11.806 50 HE2 LYS 6 HE2 LYS 6 -5.747 5.848 -11.740 51 HE3 LYS 6 HE3 LYS 6 -6.404 7.424 -12.175 52 HZ1 LYS 6 HZ1 LYS 6 -5.553 5.626 -14.327 53 HZ2 LYS 6 HZ2 LYS 6 -6.792 6.779 -14.312 54 HZ3 LYS 6 HZ3 LYS 6 -7.010 5.292 -13.534 55 H VAL 7 H VAL 7 -0.372 10.960 -12.103 56 HA VAL 7 HA VAL 7 -1.913 13.429 -12.283 57 HB VAL 7 HB VAL 7 -1.555 13.822 -9.801 58 HG11 VAL 7 HG11 VAL 7 -3.639 12.916 -9.243 59 HG12 VAL 7 HG12 VAL 7 -3.719 13.145 -10.990 60 HG13 VAL 7 HG13 VAL 7 -3.432 11.539 -10.323 61 HG21 VAL 7 HG21 VAL 7 -1.181 10.827 -9.807 62 HG22 VAL 7 HG22 VAL 7 0.060 12.020 -9.430 63 HG23 VAL 7 HG23 VAL 7 -1.346 11.848 -8.379 64 H LEU 8 H LEU 8 -0.669 15.245 -12.280 65 HA LEU 8 HA LEU 8 1.208 16.498 -12.586 66 HB2 LEU 8 HB2 LEU 8 1.265 15.412 -10.031 67 HB3 LEU 8 HB3 LEU 8 2.887 15.134 -10.659 68 HG LEU 8 HG LEU 8 2.799 17.198 -9.387 69 HD11 LEU 8 HD11 LEU 8 4.326 17.087 -11.274 70 HD12 LEU 8 HD12 LEU 8 3.698 18.722 -11.075 71 HD13 LEU 8 HD13 LEU 8 3.063 17.682 -12.351 72 HD21 LEU 8 HD21 LEU 8 1.152 18.699 -9.517 73 HD22 LEU 8 HD22 LEU 8 0.265 17.472 -10.423 74 HD23 LEU 8 HD23 LEU 8 1.185 18.710 -11.281 75 H THR 9 H THR 9 0.966 14.009 -14.113 76 HA THR 9 HA THR 9 3.801 13.717 -14.824 77 HB THR 9 HB THR 9 2.699 11.244 -15.449 78 HG1 THR 9 HG1 THR 9 0.978 11.364 -14.101 79 HG21 THR 9 HG21 THR 9 4.879 11.192 -14.731 80 HG22 THR 9 HG22 THR 9 4.065 10.606 -13.282 81 HG23 THR 9 HG23 THR 9 4.578 12.290 -13.386 82 H ALA 10 H ALA 10 3.995 12.571 -17.017 83 HA ALA 10 HA ALA 10 2.844 14.102 -18.999 84 HB1 ALA 10 HB1 ALA 10 4.839 12.708 -19.314 85 HB2 ALA 10 HB2 ALA 10 3.825 11.265 -19.282 86 HB3 ALA 10 HB3 ALA 10 3.641 12.444 -20.581 87 H GLU 11 H GLU 11 1.744 11.004 -17.692 88 HA GLU 11 HA GLU 11 -0.283 10.435 -19.503 89 HB2 GLU 11 HB2 GLU 11 0.530 9.522 -16.907 90 HB3 GLU 11 HB3 GLU 11 -1.221 9.686 -16.940 91 HG2 GLU 11 HG2 GLU 11 -0.596 8.435 -19.336 92 HG3 GLU 11 HG3 GLU 11 0.471 7.686 -18.149 93 H GLU 12 H GLU 12 -0.305 12.550 -16.681 94 HA GLU 12 HA GLU 12 -3.077 13.086 -16.674 95 HB2 GLU 12 HB2 GLU 12 -1.831 13.594 -14.707 96 HB3 GLU 12 HB3 GLU 12 -0.710 14.612 -15.599 97 HG2 GLU 12 HG2 GLU 12 -2.080 16.398 -15.555 98 HG3 GLU 12 HG3 GLU 12 -3.538 15.420 -15.707 99 H GLN 13 H GLN 13 -0.332 14.826 -18.105 100 HA GLN 13 HA GLN 13 -1.747 16.994 -19.144 101 HB2 GLN 13 HB2 GLN 13 0.873 16.221 -19.123 102 HB3 GLN 13 HB3 GLN 13 0.463 16.020 -20.822 103 HG2 GLN 13 HG2 GLN 13 0.129 18.254 -21.153 104 HG3 GLN 13 HG3 GLN 13 -0.313 18.549 -19.472 105 HE21 GLN 13 HE21 GLN 13 1.581 18.005 -17.922 106 HE22 GLN 13 HE22 GLN 13 3.107 18.682 -18.370 107 H GLN 14 H GLN 14 -0.816 13.961 -20.766 108 HA GLN 14 HA GLN 14 -2.113 14.498 -23.195 109 HB2 GLN 14 HB2 GLN 14 -1.919 12.094 -23.627 110 HB3 GLN 14 HB3 GLN 14 -0.425 12.746 -22.967 111 HG2 GLN 14 HG2 GLN 14 -1.026 11.874 -20.760 112 HG3 GLN 14 HG3 GLN 14 -2.508 11.201 -21.439 113 HE21 GLN 14 HE21 GLN 14 -2.433 9.175 -22.090 114 HE22 GLN 14 HE22 GLN 14 -1.004 8.278 -22.461 115 H GLU 15 H GLU 15 -3.244 12.988 -20.219 116 HA GLU 15 HA GLU 15 -5.710 12.040 -21.194 117 HB2 GLU 15 HB2 GLU 15 -4.534 12.577 -18.524 118 HB3 GLU 15 HB3 GLU 15 -6.288 12.490 -18.608 119 HG2 GLU 15 HG2 GLU 15 -4.665 10.335 -19.867 120 HG3 GLU 15 HG3 GLU 15 -4.866 10.360 -18.116 121 H TYR 16 H TYR 16 -4.730 15.147 -19.851 122 HA TYR 16 HA TYR 16 -7.389 16.218 -19.801 123 HB2 TYR 16 HB2 TYR 16 -4.668 17.181 -19.172 124 HB3 TYR 16 HB3 TYR 16 -5.799 18.417 -19.714 125 HD1 TYR 16 HD1 TYR 16 -7.916 18.783 -18.437 126 HD2 TYR 16 HD2 TYR 16 -4.826 16.235 -17.001 127 HE1 TYR 16 HE1 TYR 16 -8.882 18.895 -16.178 128 HE2 TYR 16 HE2 TYR 16 -5.783 16.339 -14.738 129 HH TYR 16 HH TYR 16 -7.227 17.820 -13.416 130 H LYS 17 H LYS 17 -4.569 16.583 -21.921 131 HA LYS 17 HA LYS 17 -5.598 18.493 -23.666 132 HB2 LYS 17 HB2 LYS 17 -3.684 16.219 -24.217 133 HB3 LYS 17 HB3 LYS 17 -3.987 17.550 -25.327 134 HG2 LYS 17 HG2 LYS 17 -3.363 18.742 -22.875 135 HG3 LYS 17 HG3 LYS 17 -2.213 17.418 -23.076 136 HD2 LYS 17 HD2 LYS 17 -2.732 19.159 -25.423 137 HD3 LYS 17 HD3 LYS 17 -1.787 19.838 -24.095 138 HE2 LYS 17 HE2 LYS 17 -0.456 17.606 -24.266 139 HE3 LYS 17 HE3 LYS 17 -1.166 17.518 -25.878 140 HZ1 LYS 17 HZ1 LYS 17 0.025 19.298 -26.603 141 HZ2 LYS 17 HZ2 LYS 17 1.117 18.707 -25.454 142 HZ3 LYS 17 HZ3 LYS 17 0.122 20.022 -25.076 143 H GLU 18 H GLU 18 -5.794 14.950 -23.841 144 HA GLU 18 HA GLU 18 -7.354 14.961 -26.237 145 HB2 GLU 18 HB2 GLU 18 -7.474 12.600 -25.994 146 HB3 GLU 18 HB3 GLU 18 -5.869 13.074 -25.459 147 HG2 GLU 18 HG2 GLU 18 -6.788 13.045 -23.104 148 HG3 GLU 18 HG3 GLU 18 -8.214 12.255 -23.776 149 H ALA 19 H ALA 19 -8.044 14.925 -22.808 150 HA ALA 19 HA ALA 19 -10.694 14.090 -22.814 151 HB1 ALA 19 HB1 ALA 19 -10.897 15.547 -20.746 152 HB2 ALA 19 HB2 ALA 19 -9.631 14.319 -20.727 153 HB3 ALA 19 HB3 ALA 19 -9.217 16.006 -21.032 154 H PHE 20 H PHE 20 -9.411 17.397 -23.121 155 HA PHE 20 HA PHE 20 -11.989 18.560 -23.522 156 HB2 PHE 20 HB2 PHE 20 -9.167 19.559 -23.778 157 HB3 PHE 20 HB3 PHE 20 -10.518 20.541 -24.334 158 HD1 PHE 20 HD1 PHE 20 -9.752 18.456 -21.330 159 HD2 PHE 20 HD2 PHE 20 -11.158 22.169 -22.865 160 HE1 PHE 20 HE1 PHE 20 -10.096 19.271 -19.034 161 HE2 PHE 20 HE2 PHE 20 -11.504 22.990 -20.571 162 HZ PHE 20 HZ PHE 20 -10.973 21.541 -18.652 163 H GLN 21 H GLN 21 -9.282 17.732 -25.663 164 HA GLN 21 HA GLN 21 -10.292 18.721 -28.050 165 HB2 GLN 21 HB2 GLN 21 -8.038 17.951 -27.982 166 HB3 GLN 21 HB3 GLN 21 -8.533 16.339 -27.482 167 HG2 GLN 21 HG2 GLN 21 -9.593 16.002 -29.668 168 HG3 GLN 21 HG3 GLN 21 -9.045 17.602 -30.165 169 HE21 GLN 21 HE21 GLN 21 -6.857 17.947 -30.560 170 HE22 GLN 21 HE22 GLN 21 -5.752 16.643 -30.804 171 H LEU 22 H LEU 22 -10.791 15.535 -26.568 172 HA LEU 22 HA LEU 22 -12.397 14.498 -28.654 173 HB2 LEU 22 HB2 LEU 22 -11.372 12.966 -27.171 174 HB3 LEU 22 HB3 LEU 22 -12.067 13.759 -25.759 175 HG LEU 22 HG LEU 22 -14.201 12.851 -27.408 176 HD11 LEU 22 HD11 LEU 22 -12.534 11.301 -28.361 177 HD12 LEU 22 HD12 LEU 22 -13.802 10.473 -27.458 178 HD13 LEU 22 HD13 LEU 22 -12.207 10.692 -26.738 179 HD21 LEU 22 HD21 LEU 22 -13.202 11.778 -24.775 180 HD22 LEU 22 HD22 LEU 22 -14.838 11.662 -25.424 181 HD23 LEU 22 HD23 LEU 22 -14.185 13.231 -24.953 182 H PHE 23 H PHE 23 -13.089 16.421 -25.816 183 HA PHE 23 HA PHE 23 -15.951 16.104 -26.071 184 HB2 PHE 23 HB2 PHE 23 -14.142 17.050 -24.064 185 HB3 PHE 23 HB3 PHE 23 -15.333 18.303 -24.390 186 HD1 PHE 23 HD1 PHE 23 -17.824 17.396 -24.550 187 HD2 PHE 23 HD2 PHE 23 -14.641 15.481 -22.472 188 HE1 PHE 23 HE1 PHE 23 -19.458 16.206 -23.148 189 HE2 PHE 23 HE2 PHE 23 -16.271 14.288 -21.067 190 HZ PHE 23 HZ PHE 23 -18.683 14.651 -21.404 191 H ASP 24 H ASP 24 -13.794 17.696 -27.877 192 HA ASP 24 HA ASP 24 -15.613 19.958 -28.392 193 HB2 ASP 24 HB2 ASP 24 -13.173 20.375 -27.561 194 HB3 ASP 24 HB3 ASP 24 -12.729 19.977 -29.218 195 H LYS 25 H LYS 25 -16.769 18.354 -29.736 196 HA LYS 25 HA LYS 25 -15.752 17.044 -31.940 197 HB2 LYS 25 HB2 LYS 25 -18.455 18.380 -31.691 198 HB3 LYS 25 HB3 LYS 25 -18.032 17.149 -32.875 199 HG2 LYS 25 HG2 LYS 25 -18.227 15.469 -31.395 200 HG3 LYS 25 HG3 LYS 25 -17.544 16.414 -30.070 201 HD2 LYS 25 HD2 LYS 25 -20.264 17.070 -31.128 202 HD3 LYS 25 HD3 LYS 25 -20.055 15.720 -30.010 203 HE2 LYS 25 HE2 LYS 25 -18.601 17.875 -28.939 204 HE3 LYS 25 HE3 LYS 25 -20.149 18.534 -29.464 205 HZ1 LYS 25 HZ1 LYS 25 -21.014 16.381 -28.246 206 HZ2 LYS 25 HZ2 LYS 25 -20.720 17.819 -27.405 207 HZ3 LYS 25 HZ3 LYS 25 -19.576 16.574 -27.376 208 H ASP 26 H ASP 26 -16.462 20.433 -31.531 209 HA ASP 26 HA ASP 26 -16.408 21.142 -34.282 210 HB2 ASP 26 HB2 ASP 26 -15.714 22.971 -31.985 211 HB3 ASP 26 HB3 ASP 26 -16.405 23.404 -33.546 212 H ASN 27 H ASN 27 -14.648 23.187 -34.563 213 HA ASN 27 HA ASN 27 -12.021 21.888 -34.250 214 HB2 ASN 27 HB2 ASN 27 -13.168 22.156 -36.626 215 HB3 ASN 27 HB3 ASN 27 -12.521 23.789 -36.499 216 HD21 ASN 27 HD21 ASN 27 -10.324 24.115 -36.577 217 HD22 ASN 27 HD22 ASN 27 -9.210 22.878 -37.040 218 H ASP 28 H ASP 28 -13.270 23.774 -32.444 219 HA ASP 28 HA ASP 28 -11.766 26.243 -32.870 220 HB2 ASP 28 HB2 ASP 28 -13.527 25.735 -30.495 221 HB3 ASP 28 HB3 ASP 28 -13.158 27.259 -31.299 222 H ASN 29 H ASN 29 -11.615 23.312 -31.105 223 HA ASN 29 HA ASN 29 -10.103 22.470 -29.630 224 HB2 ASN 29 HB2 ASN 29 -8.601 23.899 -31.324 225 HB3 ASN 29 HB3 ASN 29 -8.294 24.822 -29.855 226 HD21 ASN 29 HD21 ASN 29 -6.273 24.258 -29.362 227 HD22 ASN 29 HD22 ASN 29 -5.735 22.640 -29.086 228 H LYS 30 H LYS 30 -12.226 24.104 -28.667 229 HA LYS 30 HA LYS 30 -11.050 24.916 -26.114 230 HB2 LYS 30 HB2 LYS 30 -11.840 26.792 -27.982 231 HB3 LYS 30 HB3 LYS 30 -13.245 26.662 -26.933 232 HG2 LYS 30 HG2 LYS 30 -12.078 27.400 -25.066 233 HG3 LYS 30 HG3 LYS 30 -10.508 27.031 -25.783 234 HD2 LYS 30 HD2 LYS 30 -12.309 29.094 -27.001 235 HD3 LYS 30 HD3 LYS 30 -11.263 29.498 -25.639 236 HE2 LYS 30 HE2 LYS 30 -9.554 28.173 -27.314 237 HE3 LYS 30 HE3 LYS 30 -10.602 29.023 -28.449 238 HZ1 LYS 30 HZ1 LYS 30 -8.919 30.533 -28.015 239 HZ2 LYS 30 HZ2 LYS 30 -8.839 30.148 -26.368 240 HZ3 LYS 30 HZ3 LYS 30 -10.146 31.042 -26.966 241 H LEU 31 H LEU 31 -12.864 25.358 -24.477 242 HA LEU 31 HA LEU 31 -15.207 23.668 -24.974 243 HB2 LEU 31 HB2 LEU 31 -13.064 23.233 -22.995 244 HB3 LEU 31 HB3 LEU 31 -14.711 23.053 -22.395 245 HG LEU 31 HG LEU 31 -15.083 21.405 -24.276 246 HD11 LEU 31 HD11 LEU 31 -12.530 20.455 -24.689 247 HD12 LEU 31 HD12 LEU 31 -12.347 22.204 -24.834 248 HD13 LEU 31 HD13 LEU 31 -13.510 21.351 -25.850 249 HD21 LEU 31 HD21 LEU 31 -14.714 19.822 -22.753 250 HD22 LEU 31 HD22 LEU 31 -14.035 21.090 -21.734 251 HD23 LEU 31 HD23 LEU 31 -12.975 20.119 -22.756 252 H THR 32 H THR 32 -17.024 24.643 -24.376 253 HA THR 32 HA THR 32 -16.963 27.185 -23.066 254 HB THR 32 HB THR 32 -19.308 27.293 -23.418 255 HG1 THR 32 HG1 THR 32 -20.529 25.573 -23.263 256 HG21 THR 32 HG21 THR 32 -19.460 27.048 -25.727 257 HG22 THR 32 HG22 THR 32 -18.475 25.586 -25.736 258 HG23 THR 32 HG23 THR 32 -17.720 27.157 -25.463 259 H ALA 33 H ALA 33 -18.686 27.565 -21.273 260 HA ALA 33 HA ALA 33 -17.811 26.459 -18.910 261 HB1 ALA 33 HB1 ALA 33 -20.367 27.819 -19.667 262 HB2 ALA 33 HB2 ALA 33 -20.128 27.198 -18.033 263 HB3 ALA 33 HB3 ALA 33 -19.032 28.418 -18.682 264 H GLU 34 H GLU 34 -20.271 25.271 -21.105 265 HA GLU 34 HA GLU 34 -21.414 23.355 -19.362 266 HB2 GLU 34 HB2 GLU 34 -21.324 23.529 -22.375 267 HB3 GLU 34 HB3 GLU 34 -22.231 22.301 -21.504 268 HG2 GLU 34 HG2 GLU 34 -23.712 23.880 -20.600 269 HG3 GLU 34 HG3 GLU 34 -22.664 25.230 -21.032 270 H GLU 35 H GLU 35 -18.878 23.137 -21.837 271 HA GLU 35 HA GLU 35 -18.405 20.352 -21.403 272 HB2 GLU 35 HB2 GLU 35 -16.553 22.354 -22.700 273 HB3 GLU 35 HB3 GLU 35 -16.538 20.609 -22.904 274 HG2 GLU 35 HG2 GLU 35 -18.557 20.640 -24.131 275 HG3 GLU 35 HG3 GLU 35 -18.871 22.321 -23.702 276 H LEU 36 H LEU 36 -17.072 23.332 -20.137 277 HA LEU 36 HA LEU 36 -14.814 22.120 -18.872 278 HB2 LEU 36 HB2 LEU 36 -14.666 24.426 -19.411 279 HB3 LEU 36 HB3 LEU 36 -16.167 24.788 -18.561 280 HG LEU 36 HG LEU 36 -14.815 23.970 -16.465 281 HD11 LEU 36 HD11 LEU 36 -12.765 23.285 -17.127 282 HD12 LEU 36 HD12 LEU 36 -12.403 25.004 -16.973 283 HD13 LEU 36 HD13 LEU 36 -12.757 24.316 -18.558 284 HD21 LEU 36 HD21 LEU 36 -14.474 26.639 -17.823 285 HD22 LEU 36 HD22 LEU 36 -14.016 26.311 -16.152 286 HD23 LEU 36 HD23 LEU 36 -15.705 26.184 -16.643 287 H GLY 37 H GLY 37 -18.124 22.784 -17.960 288 HA2 GLY 37 HA2 GLY 37 -17.782 22.399 -15.158 289 HA3 GLY 37 HA3 GLY 37 -19.306 22.359 -16.032 290 H THR 38 H THR 38 -18.572 20.246 -17.832 291 HA THR 38 HA THR 38 -19.206 18.016 -16.150 292 HB THR 38 HB THR 38 -20.184 18.104 -18.356 293 HG1 THR 38 HG1 THR 38 -19.650 16.015 -17.519 294 HG21 THR 38 HG21 THR 38 -17.360 17.951 -19.416 295 HG22 THR 38 HG22 THR 38 -18.413 19.363 -19.492 296 HG23 THR 38 HG23 THR 38 -18.832 17.901 -20.386 297 H VAL 39 H VAL 39 -16.357 19.092 -17.936 298 HA VAL 39 HA VAL 39 -14.818 16.747 -17.374 299 HB VAL 39 HB VAL 39 -14.371 18.227 -19.320 300 HG11 VAL 39 HG11 VAL 39 -14.726 20.351 -18.005 301 HG12 VAL 39 HG12 VAL 39 -13.105 20.115 -17.348 302 HG13 VAL 39 HG13 VAL 39 -13.330 20.341 -19.083 303 HG21 VAL 39 HG21 VAL 39 -11.767 18.471 -18.255 304 HG22 VAL 39 HG22 VAL 39 -12.492 17.034 -17.535 305 HG23 VAL 39 HG23 VAL 39 -12.405 17.194 -19.290 306 H MET 40 H MET 40 -15.234 19.891 -15.867 307 HA MET 40 HA MET 40 -13.043 19.648 -14.061 308 HB2 MET 40 HB2 MET 40 -14.091 21.814 -14.717 309 HB3 MET 40 HB3 MET 40 -15.515 21.366 -13.789 310 HG2 MET 40 HG2 MET 40 -14.591 22.298 -12.015 311 HG3 MET 40 HG3 MET 40 -13.348 21.050 -12.052 312 HE1 MET 40 HE1 MET 40 -11.232 21.388 -12.012 313 HE2 MET 40 HE2 MET 40 -10.254 22.744 -12.572 314 HE3 MET 40 HE3 MET 40 -11.173 22.880 -11.073 315 H ARG 41 H ARG 41 -16.434 18.761 -13.963 316 HA ARG 41 HA ARG 41 -16.786 18.330 -11.248 317 HB2 ARG 41 HB2 ARG 41 -18.007 17.236 -13.724 318 HB3 ARG 41 HB3 ARG 41 -18.293 16.343 -12.236 319 HG2 ARG 41 HG2 ARG 41 -19.480 18.072 -11.268 320 HG3 ARG 41 HG3 ARG 41 -18.760 19.290 -12.323 321 HD2 ARG 41 HD2 ARG 41 -20.545 19.139 -13.635 322 HD3 ARG 41 HD3 ARG 41 -20.081 17.480 -14.012 323 HE ARG 41 HE ARG 41 -21.551 17.733 -11.556 324 HH11 ARG 41 HH11 ARG 41 -21.796 17.398 -15.012 325 HH12 ARG 41 HH12 ARG 41 -23.378 16.696 -14.963 326 HH21 ARG 41 HH21 ARG 41 -23.634 16.810 -11.478 327 HH22 ARG 41 HH22 ARG 41 -24.423 16.362 -12.951 328 H ALA 42 H ALA 42 -15.193 16.328 -13.651 329 HA ALA 42 HA ALA 42 -14.987 13.948 -12.196 330 HB1 ALA 42 HB1 ALA 42 -12.629 14.399 -13.782 331 HB2 ALA 42 HB2 ALA 42 -13.953 13.261 -14.038 332 HB3 ALA 42 HB3 ALA 42 -14.074 14.907 -14.658 333 H LEU 43 H LEU 43 -13.419 16.970 -11.767 334 HA LEU 43 HA LEU 43 -11.287 15.803 -10.143 335 HB2 LEU 43 HB2 LEU 43 -11.561 18.153 -11.732 336 HB3 LEU 43 HB3 LEU 43 -11.220 18.634 -10.071 337 HG LEU 43 HG LEU 43 -9.170 17.348 -10.081 338 HD11 LEU 43 HD11 LEU 43 -9.807 15.493 -11.469 339 HD12 LEU 43 HD12 LEU 43 -8.393 16.275 -12.173 340 HD13 LEU 43 HD13 LEU 43 -9.990 16.550 -12.869 341 HD21 LEU 43 HD21 LEU 43 -9.267 19.686 -11.030 342 HD22 LEU 43 HD22 LEU 43 -9.267 18.944 -12.631 343 HD23 LEU 43 HD23 LEU 43 -7.896 18.703 -11.547 344 H GLY 44 H GLY 44 -14.171 17.795 -9.876 345 HA2 GLY 44 HA2 GLY 44 -13.979 17.519 -6.944 346 HA3 GLY 44 HA3 GLY 44 -14.432 19.050 -7.679 347 H ALA 45 H ALA 45 -16.381 18.970 -9.121 348 HA ALA 45 HA ALA 45 -18.601 18.570 -9.424 349 HB1 ALA 45 HB1 ALA 45 -17.447 15.912 -8.970 350 HB2 ALA 45 HB2 ALA 45 -19.178 16.028 -8.655 351 HB3 ALA 45 HB3 ALA 45 -18.538 16.478 -10.235 352 H ASN 46 H ASN 46 -17.331 19.204 -6.677 353 HA ASN 46 HA ASN 46 -19.114 18.170 -4.721 354 HB2 ASN 46 HB2 ASN 46 -16.850 19.987 -4.800 355 HB3 ASN 46 HB3 ASN 46 -18.112 20.578 -3.724 356 HD21 ASN 46 HD21 ASN 46 -18.268 19.729 -1.758 357 HD22 ASN 46 HD22 ASN 46 -17.411 18.336 -1.202 358 HA PRO 47 HA PRO 47 -21.274 22.478 -4.987 359 HB2 PRO 47 HB2 PRO 47 -20.533 24.131 -7.010 360 HB3 PRO 47 HB3 PRO 47 -19.739 24.130 -5.431 361 HG2 PRO 47 HG2 PRO 47 -18.878 22.826 -7.984 362 HG3 PRO 47 HG3 PRO 47 -17.907 23.727 -6.805 363 HD2 PRO 47 HD2 PRO 47 -17.950 21.021 -6.893 364 HD3 PRO 47 HD3 PRO 47 -17.737 21.925 -5.380 365 H THR 48 H THR 48 -22.569 23.756 -6.896 366 HA THR 48 HA THR 48 -23.797 21.604 -8.452 367 HB THR 48 HB THR 48 -25.126 24.173 -8.674 368 HG1 THR 48 HG1 THR 48 -24.622 23.134 -6.068 369 HG21 THR 48 HG21 THR 48 -25.855 21.592 -8.838 370 HG22 THR 48 HG22 THR 48 -26.993 22.893 -8.488 371 HG23 THR 48 HG23 THR 48 -26.329 21.925 -7.173 372 H LYS 49 H LYS 49 -24.479 22.028 -10.668 373 HA LYS 49 HA LYS 49 -22.370 22.939 -12.285 374 HB2 LYS 49 HB2 LYS 49 -24.899 21.659 -12.652 375 HB3 LYS 49 HB3 LYS 49 -24.780 22.994 -13.792 376 HG2 LYS 49 HG2 LYS 49 -22.611 20.941 -13.474 377 HG3 LYS 49 HG3 LYS 49 -23.962 20.744 -14.593 378 HD2 LYS 49 HD2 LYS 49 -23.232 23.151 -15.374 379 HD3 LYS 49 HD3 LYS 49 -21.685 22.666 -14.674 380 HE2 LYS 49 HE2 LYS 49 -21.224 21.386 -16.432 381 HE3 LYS 49 HE3 LYS 49 -22.767 20.546 -16.289 382 HZ1 LYS 49 HZ1 LYS 49 -22.467 23.191 -17.596 383 HZ2 LYS 49 HZ2 LYS 49 -23.820 22.176 -17.625 384 HZ3 LYS 49 HZ3 LYS 49 -22.408 21.725 -18.437 385 H GLN 50 H GLN 50 -25.345 24.486 -11.209 386 HA GLN 50 HA GLN 50 -25.118 26.773 -12.881 387 HB2 GLN 50 HB2 GLN 50 -27.123 25.793 -11.412 388 HB3 GLN 50 HB3 GLN 50 -26.516 26.978 -10.265 389 HG2 GLN 50 HG2 GLN 50 -27.933 28.349 -11.326 390 HG3 GLN 50 HG3 GLN 50 -26.617 28.484 -12.491 391 HE21 GLN 50 HE21 GLN 50 -29.396 26.404 -11.762 392 HE22 GLN 50 HE22 GLN 50 -29.878 26.180 -13.406 393 H LYS 51 H LYS 51 -23.909 25.940 -9.702 394 HA LYS 51 HA LYS 51 -23.085 28.581 -8.997 395 HB2 LYS 51 HB2 LYS 51 -21.955 26.013 -7.892 396 HB3 LYS 51 HB3 LYS 51 -22.035 27.584 -7.106 397 HG2 LYS 51 HG2 LYS 51 -24.418 25.886 -7.821 398 HG3 LYS 51 HG3 LYS 51 -23.677 25.983 -6.222 399 HD2 LYS 51 HD2 LYS 51 -24.141 28.422 -6.213 400 HD3 LYS 51 HD3 LYS 51 -24.989 28.230 -7.748 401 HE2 LYS 51 HE2 LYS 51 -26.826 27.843 -6.551 402 HE3 LYS 51 HE3 LYS 51 -26.108 26.294 -6.116 403 HZ1 LYS 51 HZ1 LYS 51 -26.732 28.421 -4.431 404 HZ2 LYS 51 HZ2 LYS 51 -25.045 28.297 -4.457 405 HZ3 LYS 51 HZ3 LYS 51 -25.984 26.959 -4.023 406 H ILE 52 H ILE 52 -21.434 25.748 -10.343 407 HA ILE 52 HA ILE 52 -18.868 26.974 -10.436 408 HB ILE 52 HB ILE 52 -19.110 24.542 -10.426 409 HG12 ILE 52 HG12 ILE 52 -17.853 25.573 -12.979 410 HG13 ILE 52 HG13 ILE 52 -17.083 25.552 -11.397 411 HG21 ILE 52 HG21 ILE 52 -19.947 23.320 -12.322 412 HG22 ILE 52 HG22 ILE 52 -21.176 24.466 -11.791 413 HG23 ILE 52 HG23 ILE 52 -20.205 24.816 -13.220 414 HD11 ILE 52 HD11 ILE 52 -17.990 22.929 -11.958 415 HD12 ILE 52 HD12 ILE 52 -17.125 23.529 -13.372 416 HD13 ILE 52 HD13 ILE 52 -16.334 23.515 -11.794 417 H SER 53 H SER 53 -21.556 26.722 -12.681 418 HA SER 53 HA SER 53 -20.191 27.638 -14.982 419 HB2 SER 53 HB2 SER 53 -22.439 28.041 -15.906 420 HB3 SER 53 HB3 SER 53 -22.344 26.465 -15.119 421 HG SER 53 HG SER 53 -24.229 27.889 -14.637 422 H GLU 54 H GLU 54 -21.826 29.275 -12.344 423 HA GLU 54 HA GLU 54 -21.808 31.857 -13.562 424 HB2 GLU 54 HB2 GLU 54 -22.602 30.699 -10.989 425 HB3 GLU 54 HB3 GLU 54 -21.954 32.328 -10.857 426 HG2 GLU 54 HG2 GLU 54 -23.601 33.186 -12.349 427 HG3 GLU 54 HG3 GLU 54 -24.160 31.562 -12.749 428 H ILE 55 H ILE 55 -19.621 30.067 -11.494 429 HA ILE 55 HA ILE 55 -17.937 32.288 -10.862 430 HB ILE 55 HB ILE 55 -17.355 29.327 -10.727 431 HG12 ILE 55 HG12 ILE 55 -17.925 31.098 -8.376 432 HG13 ILE 55 HG13 ILE 55 -19.259 30.440 -9.315 433 HG21 ILE 55 HG21 ILE 55 -15.241 30.067 -10.521 434 HG22 ILE 55 HG22 ILE 55 -15.744 31.713 -10.139 435 HG23 ILE 55 HG23 ILE 55 -15.746 30.477 -8.882 436 HD11 ILE 55 HD11 ILE 55 -17.796 28.211 -8.896 437 HD12 ILE 55 HD12 ILE 55 -17.443 29.123 -7.429 438 HD13 ILE 55 HD13 ILE 55 -19.113 28.750 -7.855 439 H VAL 56 H VAL 56 -17.998 29.842 -13.379 440 HA VAL 56 HA VAL 56 -15.399 30.390 -14.407 441 HB VAL 56 HB VAL 56 -17.771 29.096 -15.762 442 HG11 VAL 56 HG11 VAL 56 -14.852 29.105 -16.525 443 HG12 VAL 56 HG12 VAL 56 -16.119 28.165 -17.317 444 HG13 VAL 56 HG13 VAL 56 -16.155 29.928 -17.382 445 HG21 VAL 56 HG21 VAL 56 -16.395 28.168 -13.597 446 HG22 VAL 56 HG22 VAL 56 -17.229 27.155 -14.774 447 HG23 VAL 56 HG23 VAL 56 -15.497 27.444 -14.931 448 H LYS 57 H LYS 57 -18.625 31.615 -15.074 449 HA LYS 57 HA LYS 57 -17.887 33.073 -17.417 450 HB2 LYS 57 HB2 LYS 57 -20.291 32.607 -15.857 451 HB3 LYS 57 HB3 LYS 57 -20.162 34.289 -16.353 452 HG2 LYS 57 HG2 LYS 57 -21.363 33.269 -18.066 453 HG3 LYS 57 HG3 LYS 57 -19.718 33.381 -18.698 454 HD2 LYS 57 HD2 LYS 57 -19.997 30.926 -17.267 455 HD3 LYS 57 HD3 LYS 57 -21.334 31.076 -18.409 456 HE2 LYS 57 HE2 LYS 57 -19.702 30.055 -19.691 457 HE3 LYS 57 HE3 LYS 57 -19.486 31.757 -20.095 458 HZ1 LYS 57 HZ1 LYS 57 -17.484 31.823 -19.109 459 HZ2 LYS 57 HZ2 LYS 57 -17.504 30.147 -19.330 460 HZ3 LYS 57 HZ3 LYS 57 -17.938 30.807 -17.835 461 H ASP 58 H ASP 58 -17.884 33.722 -13.996 462 HA ASP 58 HA ASP 58 -17.427 36.567 -14.387 463 HB2 ASP 58 HB2 ASP 58 -18.722 35.286 -12.425 464 HB3 ASP 58 HB3 ASP 58 -17.116 35.319 -11.707 465 H TYR 59 H TYR 59 -15.640 33.660 -13.816 466 HA TYR 59 HA TYR 59 -13.244 35.027 -12.952 467 HB2 TYR 59 HB2 TYR 59 -13.879 32.732 -12.158 468 HB3 TYR 59 HB3 TYR 59 -13.558 32.137 -13.783 469 HD1 TYR 59 HD1 TYR 59 -11.751 34.441 -11.451 470 HD2 TYR 59 HD2 TYR 59 -11.595 30.937 -13.860 471 HE1 TYR 59 HE1 TYR 59 -9.378 34.154 -10.871 472 HE2 TYR 59 HE2 TYR 59 -9.222 30.639 -13.285 473 HH TYR 59 HH TYR 59 -7.282 32.580 -12.417 474 H ASP 60 H ASP 60 -14.640 33.895 -15.911 475 HA ASP 60 HA ASP 60 -12.142 34.530 -17.338 476 HB2 ASP 60 HB2 ASP 60 -14.430 32.834 -18.352 477 HB3 ASP 60 HB3 ASP 60 -12.853 33.053 -19.107 478 H LYS 61 H LYS 61 -12.949 36.796 -17.023 479 HA LYS 61 HA LYS 61 -14.957 37.502 -19.058 480 HB2 LYS 61 HB2 LYS 61 -15.327 39.564 -17.821 481 HB3 LYS 61 HB3 LYS 61 -15.544 38.176 -16.762 482 HG2 LYS 61 HG2 LYS 61 -13.070 38.590 -16.121 483 HG3 LYS 61 HG3 LYS 61 -13.343 40.195 -16.803 484 HD2 LYS 61 HD2 LYS 61 -14.871 40.773 -15.178 485 HD3 LYS 61 HD3 LYS 61 -15.299 39.095 -14.834 486 HE2 LYS 61 HE2 LYS 61 -12.949 38.840 -13.912 487 HE3 LYS 61 HE3 LYS 61 -12.826 40.596 -14.002 488 HZ1 LYS 61 HZ1 LYS 61 -13.654 40.483 -11.935 489 HZ2 LYS 61 HZ2 LYS 61 -14.310 38.939 -12.148 490 HZ3 LYS 61 HZ3 LYS 61 -15.145 40.299 -12.711 491 H ASP 62 H ASP 62 -11.680 37.498 -18.421 492 HA ASP 62 HA ASP 62 -11.075 39.937 -19.884 493 HB2 ASP 62 HB2 ASP 62 -8.855 39.658 -19.210 494 HB3 ASP 62 HB3 ASP 62 -9.766 39.000 -17.853 495 H ASN 63 H ASN 63 -12.205 37.150 -20.888 496 HA ASN 63 HA ASN 63 -10.940 37.358 -23.475 497 HB2 ASN 63 HB2 ASN 63 -10.140 35.313 -21.583 498 HB3 ASN 63 HB3 ASN 63 -10.824 34.596 -23.039 499 HD21 ASN 63 HD21 ASN 63 -9.735 34.744 -24.950 500 HD22 ASN 63 HD22 ASN 63 -8.132 35.374 -25.084 501 H SER 64 H SER 64 -12.697 34.737 -21.827 502 HA SER 64 HA SER 64 -15.231 35.346 -22.881 503 HB2 SER 64 HB2 SER 64 -13.581 34.379 -24.859 504 HB3 SER 64 HB3 SER 64 -14.408 32.922 -24.313 505 HG SER 64 HG SER 64 -15.780 35.316 -24.944 506 H GLY 65 H GLY 65 -16.403 32.899 -23.142 507 HA2 GLY 65 HA2 GLY 65 -16.002 31.782 -20.450 508 HA3 GLY 65 HA3 GLY 65 -17.483 31.674 -21.390 509 H LYS 66 H LYS 66 -14.263 31.018 -22.638 510 HA LYS 66 HA LYS 66 -15.010 28.175 -22.871 511 HB2 LYS 66 HB2 LYS 66 -13.202 29.632 -24.793 512 HB3 LYS 66 HB3 LYS 66 -13.961 28.058 -24.998 513 HG2 LYS 66 HG2 LYS 66 -16.090 29.789 -24.631 514 HG3 LYS 66 HG3 LYS 66 -14.960 30.693 -25.641 515 HD2 LYS 66 HD2 LYS 66 -15.427 27.862 -26.368 516 HD3 LYS 66 HD3 LYS 66 -16.766 28.980 -26.634 517 HE2 LYS 66 HE2 LYS 66 -14.147 29.960 -27.529 518 HE3 LYS 66 HE3 LYS 66 -14.734 28.537 -28.389 519 HZ1 LYS 66 HZ1 LYS 66 -16.650 30.691 -27.987 520 HZ2 LYS 66 HZ2 LYS 66 -16.415 29.685 -29.327 521 HZ3 LYS 66 HZ3 LYS 66 -15.389 31.006 -29.072 522 H PHE 67 H PHE 67 -13.081 26.719 -23.143 523 HA PHE 67 HA PHE 67 -10.801 27.693 -21.553 524 HB2 PHE 67 HB2 PHE 67 -12.601 25.460 -21.047 525 HB3 PHE 67 HB3 PHE 67 -10.916 24.954 -21.098 526 HD1 PHE 67 HD1 PHE 67 -13.050 27.631 -19.616 527 HD2 PHE 67 HD2 PHE 67 -9.688 25.060 -19.162 528 HE1 PHE 67 HE1 PHE 67 -12.741 28.447 -17.317 529 HE2 PHE 67 HE2 PHE 67 -9.375 25.871 -16.860 530 HZ PHE 67 HZ PHE 67 -10.900 27.568 -15.936 531 H ASP 68 H ASP 68 -8.826 27.301 -22.357 532 HA ASP 68 HA ASP 68 -8.657 25.617 -24.769 533 HB2 ASP 68 HB2 ASP 68 -6.650 27.001 -25.342 534 HB3 ASP 68 HB3 ASP 68 -8.161 27.906 -25.307 535 H GLN 69 H GLN 69 -7.129 24.039 -24.904 536 HA GLN 69 HA GLN 69 -6.208 22.745 -22.676 537 HB2 GLN 69 HB2 GLN 69 -5.270 22.783 -25.519 538 HB3 GLN 69 HB3 GLN 69 -4.363 21.871 -24.320 539 HG2 GLN 69 HG2 GLN 69 -6.118 20.622 -25.667 540 HG3 GLN 69 HG3 GLN 69 -6.131 20.407 -23.917 541 HE21 GLN 69 HE21 GLN 69 -7.927 21.242 -26.637 542 HE22 GLN 69 HE22 GLN 69 -9.348 21.812 -25.837 543 H GLU 70 H GLU 70 -4.560 25.256 -24.539 544 HA GLU 70 HA GLU 70 -2.056 25.166 -23.363 545 HB2 GLU 70 HB2 GLU 70 -3.651 27.196 -24.781 546 HB3 GLU 70 HB3 GLU 70 -2.394 27.845 -23.738 547 HG2 GLU 70 HG2 GLU 70 -1.645 25.632 -25.554 548 HG3 GLU 70 HG3 GLU 70 -1.962 27.209 -26.275 549 H THR 71 H THR 71 -5.017 26.686 -22.207 550 HA THR 71 HA THR 71 -3.917 28.125 -20.061 551 HB THR 71 HB THR 71 -6.682 26.943 -20.374 552 HG1 THR 71 HG1 THR 71 -7.187 28.887 -21.237 553 HG21 THR 71 HG21 THR 71 -6.819 27.376 -18.159 554 HG22 THR 71 HG22 THR 71 -7.004 29.043 -18.702 555 HG23 THR 71 HG23 THR 71 -5.426 28.457 -18.177 556 H PHE 72 H PHE 72 -5.273 24.845 -20.212 557 HA PHE 72 HA PHE 72 -5.026 24.231 -17.488 558 HB2 PHE 72 HB2 PHE 72 -6.336 22.686 -18.577 559 HB3 PHE 72 HB3 PHE 72 -5.297 22.648 -19.998 560 HD1 PHE 72 HD1 PHE 72 -5.584 21.505 -16.492 561 HD2 PHE 72 HD2 PHE 72 -3.654 20.997 -20.251 562 HE1 PHE 72 HE1 PHE 72 -4.563 19.419 -15.681 563 HE2 PHE 72 HE2 PHE 72 -2.629 18.909 -19.447 564 HZ PHE 72 HZ PHE 72 -3.083 18.118 -17.158 565 H LEU 73 H LEU 73 -2.792 23.706 -20.192 566 HA LEU 73 HA LEU 73 -0.797 22.387 -18.690 567 HB2 LEU 73 HB2 LEU 73 -0.763 23.879 -21.295 568 HB3 LEU 73 HB3 LEU 73 0.698 23.170 -20.610 569 HG LEU 73 HG LEU 73 -1.353 21.182 -20.680 570 HD11 LEU 73 HD11 LEU 73 -2.238 21.241 -22.745 571 HD12 LEU 73 HD12 LEU 73 -0.777 21.911 -23.469 572 HD13 LEU 73 HD13 LEU 73 -1.910 22.970 -22.629 573 HD21 LEU 73 HD21 LEU 73 1.039 20.743 -20.643 574 HD22 LEU 73 HD22 LEU 73 1.221 21.515 -22.218 575 HD23 LEU 73 HD23 LEU 73 0.298 20.019 -22.072 576 H THR 74 H THR 74 -1.475 25.768 -19.319 577 HA THR 74 HA THR 74 0.999 26.766 -18.315 578 HB THR 74 HB THR 74 -1.658 28.170 -18.655 579 HG1 THR 74 HG1 THR 74 -0.446 27.274 -20.556 580 HG21 THR 74 HG21 THR 74 -0.714 29.843 -17.513 581 HG22 THR 74 HG22 THR 74 0.405 30.021 -18.864 582 HG23 THR 74 HG23 THR 74 0.848 29.027 -17.476 583 H ILE 75 H ILE 75 -2.204 26.234 -16.924 584 HA ILE 75 HA ILE 75 -1.678 27.468 -14.430 585 HB ILE 75 HB ILE 75 -3.680 25.316 -15.124 586 HG12 ILE 75 HG12 ILE 75 -4.384 28.178 -14.644 587 HG13 ILE 75 HG13 ILE 75 -3.670 27.741 -16.193 588 HG21 ILE 75 HG21 ILE 75 -3.570 25.180 -12.823 589 HG22 ILE 75 HG22 ILE 75 -3.195 26.893 -12.636 590 HG23 ILE 75 HG23 ILE 75 -4.833 26.389 -13.054 591 HD11 ILE 75 HD11 ILE 75 -6.171 27.791 -16.121 592 HD12 ILE 75 HD12 ILE 75 -5.463 26.284 -16.703 593 HD13 ILE 75 HD13 ILE 75 -6.097 26.384 -15.060 594 H MET 76 H MET 76 -1.580 24.071 -15.476 595 HA MET 76 HA MET 76 -0.751 23.050 -12.964 596 HB2 MET 76 HB2 MET 76 -0.185 21.001 -14.238 597 HB3 MET 76 HB3 MET 76 -1.803 21.595 -14.585 598 HG2 MET 76 HG2 MET 76 -1.135 21.182 -16.700 599 HG3 MET 76 HG3 MET 76 -0.514 22.824 -16.548 600 HE1 MET 76 HE1 MET 76 1.042 19.544 -14.854 601 HE2 MET 76 HE2 MET 76 0.264 19.050 -16.358 602 HE3 MET 76 HE3 MET 76 2.021 18.990 -16.214 603 H LEU 77 H LEU 77 0.940 24.427 -15.676 604 HA LEU 77 HA LEU 77 3.533 23.472 -14.899 605 HB2 LEU 77 HB2 LEU 77 3.024 23.991 -17.223 606 HB3 LEU 77 HB3 LEU 77 2.719 25.673 -16.792 607 HG LEU 77 HG LEU 77 5.310 25.199 -15.912 608 HD11 LEU 77 HD11 LEU 77 4.928 23.981 -18.641 609 HD12 LEU 77 HD12 LEU 77 5.331 23.095 -17.171 610 HD13 LEU 77 HD13 LEU 77 6.468 24.272 -17.831 611 HD21 LEU 77 HD21 LEU 77 4.915 27.270 -16.812 612 HD22 LEU 77 HD22 LEU 77 4.032 26.622 -18.196 613 HD23 LEU 77 HD23 LEU 77 5.792 26.506 -18.140 614 H GLU 78 H GLU 78 1.664 26.418 -14.431 615 HA GLU 78 HA GLU 78 3.803 27.893 -13.242 616 HB2 GLU 78 HB2 GLU 78 1.968 29.071 -14.297 617 HB3 GLU 78 HB3 GLU 78 0.812 28.324 -13.202 618 HG2 GLU 78 HG2 GLU 78 1.518 29.598 -11.389 619 HG3 GLU 78 HG3 GLU 78 3.042 30.026 -12.163 620 H TYR 79 H TYR 79 1.358 25.702 -12.083 621 HA TYR 79 HA TYR 79 1.880 26.368 -9.298 622 HB2 TYR 79 HB2 TYR 79 -0.264 25.117 -10.755 623 HB3 TYR 79 HB3 TYR 79 0.268 24.057 -9.455 624 HD1 TYR 79 HD1 TYR 79 0.182 24.849 -7.103 625 HD2 TYR 79 HD2 TYR 79 -1.448 27.137 -10.298 626 HE1 TYR 79 HE1 TYR 79 -1.106 26.180 -5.485 627 HE2 TYR 79 HE2 TYR 79 -2.740 28.475 -8.689 628 HH TYR 79 HH TYR 79 -2.119 28.609 -5.494 629 H GLY 80 H GLY 80 2.682 23.932 -11.661 630 HA2 GLY 80 HA2 GLY 80 3.494 21.828 -10.040 631 HA3 GLY 80 HA3 GLY 80 4.195 22.207 -11.606 632 H GLN 81 H GLN 81 5.028 24.898 -10.578 633 HA GLN 81 HA GLN 81 7.399 23.968 -9.102 634 HB2 GLN 81 HB2 GLN 81 7.168 26.492 -10.740 635 HB3 GLN 81 HB3 GLN 81 8.634 25.765 -10.095 636 HG2 GLN 81 HG2 GLN 81 7.887 23.731 -11.580 637 HG3 GLN 81 HG3 GLN 81 7.006 24.984 -12.453 638 HE21 GLN 81 HE21 GLN 81 8.060 25.966 -14.018 639 HE22 GLN 81 HE22 GLN 81 9.777 26.054 -14.190 640 H GLU 82 H GLU 82 4.746 24.825 -8.024 641 HA GLU 82 HA GLU 82 4.772 27.361 -6.920 642 HB2 GLU 82 HB2 GLU 82 2.861 25.793 -6.805 643 HB3 GLU 82 HB3 GLU 82 3.737 24.836 -5.618 644 HG2 GLU 82 HG2 GLU 82 3.723 27.483 -4.667 645 HG3 GLU 82 HG3 GLU 82 2.089 27.131 -5.226 646 H VAL 83 H VAL 83 6.510 24.489 -5.940 647 HA VAL 83 HA VAL 83 7.277 25.234 -3.361 648 HB VAL 83 HB VAL 83 9.196 23.710 -3.653 649 HG11 VAL 83 HG11 VAL 83 7.474 22.405 -2.999 650 HG12 VAL 83 HG12 VAL 83 6.407 22.982 -4.280 651 HG13 VAL 83 HG13 VAL 83 7.627 21.758 -4.631 652 HG21 VAL 83 HG21 VAL 83 8.808 24.338 -6.403 653 HG22 VAL 83 HG22 VAL 83 10.093 23.387 -5.658 654 HG23 VAL 83 HG23 VAL 83 8.609 22.599 -6.192 655 H ASP 84 H ASP 84 9.566 25.773 -2.712 656 HA ASP 84 HA ASP 84 11.269 27.278 -2.620 657 HB2 ASP 84 HB2 ASP 84 11.521 26.029 -5.041 658 HB3 ASP 84 HB3 ASP 84 11.460 27.723 -5.521 659 H SER 85 H SER 85 11.987 29.512 -3.850 660 HA SER 85 HA SER 85 9.902 31.171 -4.786 661 HB2 SER 85 HB2 SER 85 9.323 30.809 -2.289 662 HB3 SER 85 HB3 SER 85 10.696 31.868 -1.967 663 HG SER 85 HG SER 85 9.055 33.259 -2.136 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -1.751 -3.110 -7.510 2 HA MET 1 HA MET 1 0.542 -3.022 -6.698 3 HB2 MET 1 HB2 MET 1 0.131 -4.777 -9.116 4 HB3 MET 1 HB3 MET 1 1.564 -4.871 -8.101 5 HG2 MET 1 HG2 MET 1 -0.285 -5.100 -6.204 6 HG3 MET 1 HG3 MET 1 -1.211 -5.737 -7.561 7 HE1 MET 1 HE1 MET 1 1.338 -8.098 -9.060 8 HE2 MET 1 HE2 MET 1 -0.229 -8.737 -8.559 9 HE3 MET 1 HE3 MET 1 -0.118 -7.123 -9.261 10 H SER 2 H SER 2 -0.031 -1.889 -9.920 11 HA SER 2 HA SER 2 2.783 -1.203 -10.308 12 HB2 SER 2 HB2 SER 2 1.007 -0.252 -12.390 13 HB3 SER 2 HB3 SER 2 2.347 -1.392 -12.501 14 HG SER 2 HG SER 2 0.521 -2.507 -13.046 15 H GLU 3 H GLU 3 3.579 0.798 -10.088 16 HA GLU 3 HA GLU 3 1.753 2.891 -9.181 17 HB2 GLU 3 HB2 GLU 3 4.729 2.503 -9.011 18 HB3 GLU 3 HB3 GLU 3 4.005 4.077 -8.712 19 HG2 GLU 3 HG2 GLU 3 2.536 2.227 -7.193 20 HG3 GLU 3 HG3 GLU 3 4.238 1.831 -6.963 21 H GLN 4 H GLN 4 1.434 4.793 -10.231 22 HA GLN 4 HA GLN 4 3.051 5.468 -12.552 23 HB2 GLN 4 HB2 GLN 4 0.054 5.171 -12.797 24 HB3 GLN 4 HB3 GLN 4 1.176 5.632 -14.070 25 HG2 GLN 4 HG2 GLN 4 2.256 3.374 -13.770 26 HG3 GLN 4 HG3 GLN 4 0.884 2.953 -12.747 27 HE21 GLN 4 HE21 GLN 4 2.037 2.468 -15.676 28 HE22 GLN 4 HE22 GLN 4 0.583 2.375 -16.602 29 H LYS 5 H LYS 5 2.920 7.643 -13.158 30 HA LYS 5 HA LYS 5 1.525 9.361 -11.213 31 HB2 LYS 5 HB2 LYS 5 4.081 9.371 -11.286 32 HB3 LYS 5 HB3 LYS 5 3.927 10.165 -12.847 33 HG2 LYS 5 HG2 LYS 5 3.057 12.100 -11.926 34 HG3 LYS 5 HG3 LYS 5 2.540 11.283 -10.449 35 HD2 LYS 5 HD2 LYS 5 5.448 11.408 -11.112 36 HD3 LYS 5 HD3 LYS 5 4.652 12.833 -10.443 37 HE2 LYS 5 HE2 LYS 5 4.342 10.153 -9.143 38 HE3 LYS 5 HE3 LYS 5 5.769 11.140 -8.836 39 HZ1 LYS 5 HZ1 LYS 5 4.610 12.558 -7.574 40 HZ2 LYS 5 HZ2 LYS 5 3.468 11.314 -7.463 41 HZ3 LYS 5 HZ3 LYS 5 3.262 12.552 -8.597 42 H LYS 6 H LYS 6 -0.221 10.283 -12.046 43 HA LYS 6 HA LYS 6 -0.219 10.998 -14.902 44 HB2 LYS 6 HB2 LYS 6 -2.751 11.077 -14.562 45 HB3 LYS 6 HB3 LYS 6 -1.991 9.491 -14.545 46 HG2 LYS 6 HG2 LYS 6 -2.238 10.800 -11.923 47 HG3 LYS 6 HG3 LYS 6 -3.757 10.346 -12.700 48 HD2 LYS 6 HD2 LYS 6 -1.587 8.329 -12.708 49 HD3 LYS 6 HD3 LYS 6 -2.360 8.668 -11.158 50 HE2 LYS 6 HE2 LYS 6 -4.551 8.219 -12.171 51 HE3 LYS 6 HE3 LYS 6 -3.760 7.852 -13.703 52 HZ1 LYS 6 HZ1 LYS 6 -3.122 5.840 -12.985 53 HZ2 LYS 6 HZ2 LYS 6 -4.369 6.021 -11.856 54 HZ3 LYS 6 HZ3 LYS 6 -2.773 6.372 -11.418 55 H VAL 7 H VAL 7 0.884 12.561 -12.624 56 HA VAL 7 HA VAL 7 -0.646 15.021 -13.117 57 HB VAL 7 HB VAL 7 -0.325 15.753 -10.814 58 HG11 VAL 7 HG11 VAL 7 -1.536 13.090 -10.385 59 HG12 VAL 7 HG12 VAL 7 -2.170 14.698 -10.029 60 HG13 VAL 7 HG13 VAL 7 -2.222 14.072 -11.677 61 HG21 VAL 7 HG21 VAL 7 1.316 13.315 -10.689 62 HG22 VAL 7 HG22 VAL 7 1.459 14.829 -9.796 63 HG23 VAL 7 HG23 VAL 7 0.294 13.608 -9.283 64 H LEU 8 H LEU 8 0.561 16.786 -13.557 65 HA LEU 8 HA LEU 8 2.376 18.021 -14.150 66 HB2 LEU 8 HB2 LEU 8 2.740 17.171 -11.493 67 HB3 LEU 8 HB3 LEU 8 4.305 17.001 -12.287 68 HG LEU 8 HG LEU 8 4.253 19.139 -11.250 69 HD11 LEU 8 HD11 LEU 8 4.856 20.486 -13.029 70 HD12 LEU 8 HD12 LEU 8 3.608 19.827 -14.087 71 HD13 LEU 8 HD13 LEU 8 5.037 18.866 -13.704 72 HD21 LEU 8 HD21 LEU 8 2.528 20.749 -11.517 73 HD22 LEU 8 HD22 LEU 8 1.746 19.225 -11.095 74 HD23 LEU 8 HD23 LEU 8 1.734 19.788 -12.766 75 H THR 9 H THR 9 2.049 15.258 -15.217 76 HA THR 9 HA THR 9 4.782 14.968 -16.251 77 HB THR 9 HB THR 9 4.016 12.389 -16.330 78 HG1 THR 9 HG1 THR 9 2.158 12.506 -15.160 79 HG21 THR 9 HG21 THR 9 5.119 12.757 -13.739 80 HG22 THR 9 HG22 THR 9 5.815 13.979 -14.802 81 HG23 THR 9 HG23 THR 9 5.943 12.271 -15.220 82 H ALA 10 H ALA 10 4.769 13.455 -18.220 83 HA ALA 10 HA ALA 10 3.281 14.557 -20.259 84 HB1 ALA 10 HB1 ALA 10 4.308 13.071 -21.634 85 HB2 ALA 10 HB2 ALA 10 5.317 12.839 -20.204 86 HB3 ALA 10 HB3 ALA 10 4.015 11.704 -20.559 87 H GLU 11 H GLU 11 2.521 11.753 -18.252 88 HA GLU 11 HA GLU 11 0.326 10.770 -19.649 89 HB2 GLU 11 HB2 GLU 11 1.430 10.503 -16.968 90 HB3 GLU 11 HB3 GLU 11 -0.326 10.407 -16.971 91 HG2 GLU 11 HG2 GLU 11 -0.151 8.666 -18.749 92 HG3 GLU 11 HG3 GLU 11 1.596 8.685 -18.513 93 H GLU 12 H GLU 12 0.548 13.416 -17.333 94 HA GLU 12 HA GLU 12 -2.231 13.849 -17.042 95 HB2 GLU 12 HB2 GLU 12 -0.782 14.781 -15.400 96 HB3 GLU 12 HB3 GLU 12 0.165 15.627 -16.615 97 HG2 GLU 12 HG2 GLU 12 -1.262 17.356 -16.722 98 HG3 GLU 12 HG3 GLU 12 -2.685 16.332 -16.531 99 H GLN 13 H GLN 13 0.203 15.314 -19.168 100 HA GLN 13 HA GLN 13 -1.455 17.197 -20.401 101 HB2 GLN 13 HB2 GLN 13 1.172 16.627 -20.560 102 HB3 GLN 13 HB3 GLN 13 0.627 15.912 -22.071 103 HG2 GLN 13 HG2 GLN 13 0.070 17.921 -22.989 104 HG3 GLN 13 HG3 GLN 13 -0.269 18.665 -21.427 105 HE21 GLN 13 HE21 GLN 13 1.382 19.567 -23.694 106 HE22 GLN 13 HE22 GLN 13 2.950 19.867 -23.035 107 H GLN 14 H GLN 14 -0.571 13.924 -21.495 108 HA GLN 14 HA GLN 14 -2.182 13.912 -23.790 109 HB2 GLN 14 HB2 GLN 14 -1.937 11.465 -23.726 110 HB3 GLN 14 HB3 GLN 14 -0.404 12.285 -23.457 111 HG2 GLN 14 HG2 GLN 14 -0.668 11.921 -21.035 112 HG3 GLN 14 HG3 GLN 14 -2.153 11.026 -21.356 113 HE21 GLN 14 HE21 GLN 14 -2.044 8.961 -22.121 114 HE22 GLN 14 HE22 GLN 14 -0.568 8.075 -22.265 115 H GLU 15 H GLU 15 -2.853 12.954 -20.458 116 HA GLU 15 HA GLU 15 -5.353 11.770 -20.864 117 HB2 GLU 15 HB2 GLU 15 -3.969 13.030 -18.546 118 HB3 GLU 15 HB3 GLU 15 -5.697 12.738 -18.410 119 HG2 GLU 15 HG2 GLU 15 -3.987 10.509 -19.358 120 HG3 GLU 15 HG3 GLU 15 -3.903 10.954 -17.655 121 H TYR 16 H TYR 16 -4.509 15.141 -20.139 122 HA TYR 16 HA TYR 16 -7.204 16.061 -20.142 123 HB2 TYR 16 HB2 TYR 16 -5.115 17.155 -19.078 124 HB3 TYR 16 HB3 TYR 16 -4.822 17.817 -20.683 125 HD1 TYR 16 HD1 TYR 16 -7.446 17.616 -18.043 126 HD2 TYR 16 HD2 TYR 16 -5.837 19.814 -21.312 127 HE1 TYR 16 HE1 TYR 16 -8.999 19.460 -17.559 128 HE2 TYR 16 HE2 TYR 16 -7.385 21.666 -20.836 129 HH TYR 16 HH TYR 16 -9.770 21.439 -18.216 130 H LYS 17 H LYS 17 -4.567 16.222 -22.519 131 HA LYS 17 HA LYS 17 -5.823 17.669 -24.509 132 HB2 LYS 17 HB2 LYS 17 -3.855 15.389 -24.733 133 HB3 LYS 17 HB3 LYS 17 -4.338 16.391 -26.096 134 HG2 LYS 17 HG2 LYS 17 -3.487 18.000 -23.852 135 HG3 LYS 17 HG3 LYS 17 -2.240 16.851 -24.344 136 HD2 LYS 17 HD2 LYS 17 -3.038 17.759 -26.756 137 HD3 LYS 17 HD3 LYS 17 -3.338 19.190 -25.767 138 HE2 LYS 17 HE2 LYS 17 -0.780 17.952 -25.173 139 HE3 LYS 17 HE3 LYS 17 -0.916 18.420 -26.868 140 HZ1 LYS 17 HZ1 LYS 17 -0.009 20.171 -25.377 141 HZ2 LYS 17 HZ2 LYS 17 -1.515 20.249 -24.612 142 HZ3 LYS 17 HZ3 LYS 17 -1.377 20.651 -26.249 143 H GLU 18 H GLU 18 -6.012 14.197 -23.843 144 HA GLU 18 HA GLU 18 -7.691 13.645 -26.097 145 HB2 GLU 18 HB2 GLU 18 -6.347 11.850 -25.309 146 HB3 GLU 18 HB3 GLU 18 -6.916 12.054 -23.659 147 HG2 GLU 18 HG2 GLU 18 -8.664 10.726 -23.990 148 HG3 GLU 18 HG3 GLU 18 -9.085 11.523 -25.504 149 H ALA 19 H ALA 19 -8.190 14.456 -22.732 150 HA ALA 19 HA ALA 19 -10.875 13.687 -22.470 151 HB1 ALA 19 HB1 ALA 19 -9.327 15.885 -21.108 152 HB2 ALA 19 HB2 ALA 19 -10.946 15.369 -20.632 153 HB3 ALA 19 HB3 ALA 19 -9.594 14.242 -20.525 154 H PHE 20 H PHE 20 -9.491 16.862 -23.317 155 HA PHE 20 HA PHE 20 -12.053 18.012 -23.870 156 HB2 PHE 20 HB2 PHE 20 -10.936 19.990 -24.129 157 HB3 PHE 20 HB3 PHE 20 -9.698 19.107 -23.241 158 HD1 PHE 20 HD1 PHE 20 -10.704 20.422 -26.504 159 HD2 PHE 20 HD2 PHE 20 -7.676 18.376 -24.322 160 HE1 PHE 20 HE1 PHE 20 -9.124 20.796 -28.354 161 HE2 PHE 20 HE2 PHE 20 -6.090 18.747 -26.168 162 HZ PHE 20 HZ PHE 20 -6.814 19.959 -28.186 163 H GLN 21 H GLN 21 -9.554 16.443 -25.749 164 HA GLN 21 HA GLN 21 -10.296 17.234 -28.316 165 HB2 GLN 21 HB2 GLN 21 -8.245 16.076 -28.069 166 HB3 GLN 21 HB3 GLN 21 -9.020 14.714 -27.273 167 HG2 GLN 21 HG2 GLN 21 -10.132 14.123 -29.367 168 HG3 GLN 21 HG3 GLN 21 -9.349 15.487 -30.164 169 HE21 GLN 21 HE21 GLN 21 -7.976 14.584 -31.546 170 HE22 GLN 21 HE22 GLN 21 -6.770 13.416 -31.141 171 H LEU 22 H LEU 22 -11.433 14.494 -26.369 172 HA LEU 22 HA LEU 22 -13.242 13.553 -28.370 173 HB2 LEU 22 HB2 LEU 22 -12.370 12.013 -26.752 174 HB3 LEU 22 HB3 LEU 22 -13.004 12.979 -25.423 175 HG LEU 22 HG LEU 22 -15.079 12.078 -27.260 176 HD11 LEU 22 HD11 LEU 22 -13.260 10.082 -25.960 177 HD12 LEU 22 HD12 LEU 22 -13.883 10.107 -27.609 178 HD13 LEU 22 HD13 LEU 22 -14.959 9.720 -26.266 179 HD21 LEU 22 HD21 LEU 22 -16.109 11.381 -25.129 180 HD22 LEU 22 HD22 LEU 22 -15.570 13.059 -25.108 181 HD23 LEU 22 HD23 LEU 22 -14.620 11.818 -24.291 182 H PHE 23 H PHE 23 -13.455 15.750 -25.656 183 HA PHE 23 HA PHE 23 -16.338 15.939 -25.809 184 HB2 PHE 23 HB2 PHE 23 -14.228 17.265 -24.128 185 HB3 PHE 23 HB3 PHE 23 -15.882 17.867 -24.138 186 HD1 PHE 23 HD1 PHE 23 -17.498 15.484 -24.198 187 HD2 PHE 23 HD2 PHE 23 -13.864 16.227 -22.110 188 HE1 PHE 23 HE1 PHE 23 -18.122 13.797 -22.518 189 HE2 PHE 23 HE2 PHE 23 -14.481 14.541 -20.428 190 HZ PHE 23 HZ PHE 23 -16.613 13.325 -20.629 191 H ASP 24 H ASP 24 -13.999 17.010 -27.764 192 HA ASP 24 HA ASP 24 -15.495 19.449 -28.462 193 HB2 ASP 24 HB2 ASP 24 -13.182 19.826 -27.432 194 HB3 ASP 24 HB3 ASP 24 -12.532 19.136 -28.916 195 H LYS 25 H LYS 25 -16.556 17.576 -29.723 196 HA LYS 25 HA LYS 25 -15.270 16.378 -31.907 197 HB2 LYS 25 HB2 LYS 25 -17.445 15.789 -32.692 198 HB3 LYS 25 HB3 LYS 25 -17.497 15.726 -30.934 199 HG2 LYS 25 HG2 LYS 25 -18.338 18.215 -31.234 200 HG3 LYS 25 HG3 LYS 25 -18.829 17.596 -32.812 201 HD2 LYS 25 HD2 LYS 25 -20.419 16.232 -31.932 202 HD3 LYS 25 HD3 LYS 25 -19.496 15.929 -30.458 203 HE2 LYS 25 HE2 LYS 25 -20.065 18.589 -30.232 204 HE3 LYS 25 HE3 LYS 25 -21.508 17.979 -31.042 205 HZ1 LYS 25 HZ1 LYS 25 -22.207 17.253 -29.086 206 HZ2 LYS 25 HZ2 LYS 25 -20.770 17.732 -28.334 207 HZ3 LYS 25 HZ3 LYS 25 -20.896 16.187 -29.010 208 H ASP 26 H ASP 26 -16.703 19.534 -31.504 209 HA ASP 26 HA ASP 26 -17.012 20.271 -34.185 210 HB2 ASP 26 HB2 ASP 26 -16.799 21.677 -31.598 211 HB3 ASP 26 HB3 ASP 26 -16.352 22.634 -33.007 212 H ASN 27 H ASN 27 -14.178 19.818 -32.299 213 HA ASN 27 HA ASN 27 -11.960 19.972 -32.781 214 HB2 ASN 27 HB2 ASN 27 -13.006 19.042 -35.041 215 HB3 ASN 27 HB3 ASN 27 -12.484 20.611 -35.648 216 HD21 ASN 27 HD21 ASN 27 -11.197 18.068 -33.527 217 HD22 ASN 27 HD22 ASN 27 -9.633 18.017 -34.260 218 H ASP 28 H ASP 28 -13.171 22.253 -31.806 219 HA ASP 28 HA ASP 28 -12.159 24.484 -33.397 220 HB2 ASP 28 HB2 ASP 28 -14.138 24.164 -31.227 221 HB3 ASP 28 HB3 ASP 28 -13.189 25.646 -31.169 222 H ASN 29 H ASN 29 -11.038 22.415 -31.050 223 HA ASN 29 HA ASN 29 -9.184 22.388 -29.733 224 HB2 ASN 29 HB2 ASN 29 -8.357 23.663 -31.914 225 HB3 ASN 29 HB3 ASN 29 -8.222 25.008 -30.786 226 HD21 ASN 29 HD21 ASN 29 -7.493 21.531 -30.803 227 HD22 ASN 29 HD22 ASN 29 -5.906 21.691 -30.141 228 H LYS 30 H LYS 30 -11.668 24.036 -29.103 229 HA LYS 30 HA LYS 30 -10.583 25.242 -26.687 230 HB2 LYS 30 HB2 LYS 30 -10.586 27.149 -28.135 231 HB3 LYS 30 HB3 LYS 30 -12.195 26.766 -28.733 232 HG2 LYS 30 HG2 LYS 30 -13.234 27.632 -26.909 233 HG3 LYS 30 HG3 LYS 30 -11.898 27.242 -25.824 234 HD2 LYS 30 HD2 LYS 30 -11.396 29.266 -27.933 235 HD3 LYS 30 HD3 LYS 30 -12.440 29.737 -26.590 236 HE2 LYS 30 HE2 LYS 30 -10.122 28.343 -25.617 237 HE3 LYS 30 HE3 LYS 30 -9.637 29.687 -26.649 238 HZ1 LYS 30 HZ1 LYS 30 -11.222 31.070 -25.284 239 HZ2 LYS 30 HZ2 LYS 30 -9.814 30.561 -24.496 240 HZ3 LYS 30 HZ3 LYS 30 -11.283 29.780 -24.192 241 H LEU 31 H LEU 31 -12.106 25.462 -25.006 242 HA LEU 31 HA LEU 31 -14.596 23.955 -25.456 243 HB2 LEU 31 HB2 LEU 31 -12.904 24.254 -22.983 244 HB3 LEU 31 HB3 LEU 31 -14.499 23.504 -22.996 245 HG LEU 31 HG LEU 31 -12.959 21.729 -23.007 246 HD11 LEU 31 HD11 LEU 31 -13.772 22.182 -25.874 247 HD12 LEU 31 HD12 LEU 31 -14.789 21.479 -24.617 248 HD13 LEU 31 HD13 LEU 31 -13.332 20.638 -25.143 249 HD21 LEU 31 HD21 LEU 31 -11.257 23.569 -24.276 250 HD22 LEU 31 HD22 LEU 31 -11.431 22.205 -25.382 251 HD23 LEU 31 HD23 LEU 31 -10.872 21.935 -23.731 252 H THR 32 H THR 32 -16.436 24.573 -24.083 253 HA THR 32 HA THR 32 -16.490 27.487 -23.659 254 HB THR 32 HB THR 32 -18.796 27.516 -24.190 255 HG1 THR 32 HG1 THR 32 -19.769 25.319 -24.718 256 HG21 THR 32 HG21 THR 32 -17.002 26.920 -26.054 257 HG22 THR 32 HG22 THR 32 -18.721 27.034 -26.426 258 HG23 THR 32 HG23 THR 32 -17.977 25.456 -26.173 259 H ALA 33 H ALA 33 -18.348 28.090 -22.063 260 HA ALA 33 HA ALA 33 -17.626 27.384 -19.508 261 HB1 ALA 33 HB1 ALA 33 -19.571 29.024 -20.679 262 HB2 ALA 33 HB2 ALA 33 -20.436 27.974 -19.556 263 HB3 ALA 33 HB3 ALA 33 -19.094 28.963 -18.981 264 H GLU 34 H GLU 34 -20.267 26.009 -21.452 265 HA GLU 34 HA GLU 34 -21.203 24.214 -19.499 266 HB2 GLU 34 HB2 GLU 34 -21.530 24.555 -22.421 267 HB3 GLU 34 HB3 GLU 34 -21.859 22.946 -21.794 268 HG2 GLU 34 HG2 GLU 34 -23.213 24.507 -20.025 269 HG3 GLU 34 HG3 GLU 34 -23.386 25.423 -21.520 270 H GLU 35 H GLU 35 -18.898 23.770 -22.166 271 HA GLU 35 HA GLU 35 -18.393 21.048 -21.770 272 HB2 GLU 35 HB2 GLU 35 -16.447 23.129 -22.779 273 HB3 GLU 35 HB3 GLU 35 -16.358 21.396 -23.055 274 HG2 GLU 35 HG2 GLU 35 -18.636 21.642 -24.186 275 HG3 GLU 35 HG3 GLU 35 -18.299 23.372 -24.191 276 H LEU 36 H LEU 36 -16.724 23.899 -20.463 277 HA LEU 36 HA LEU 36 -14.730 22.546 -19.043 278 HB2 LEU 36 HB2 LEU 36 -14.531 24.887 -19.382 279 HB3 LEU 36 HB3 LEU 36 -16.071 25.199 -18.584 280 HG LEU 36 HG LEU 36 -14.947 24.311 -16.464 281 HD11 LEU 36 HD11 LEU 36 -12.351 25.053 -16.882 282 HD12 LEU 36 HD12 LEU 36 -12.740 24.195 -18.372 283 HD13 LEU 36 HD13 LEU 36 -12.941 23.392 -16.816 284 HD21 LEU 36 HD21 LEU 36 -15.413 26.578 -16.461 285 HD22 LEU 36 HD22 LEU 36 -14.342 26.905 -17.824 286 HD23 LEU 36 HD23 LEU 36 -13.663 26.552 -16.234 287 H GLY 37 H GLY 37 -18.042 23.378 -18.161 288 HA2 GLY 37 HA2 GLY 37 -17.913 22.743 -15.430 289 HA3 GLY 37 HA3 GLY 37 -19.368 22.702 -16.415 290 H THR 38 H THR 38 -18.270 20.698 -18.250 291 HA THR 38 HA THR 38 -19.106 18.372 -16.827 292 HB THR 38 HB THR 38 -17.852 18.627 -19.566 293 HG1 THR 38 HG1 THR 38 -20.567 18.073 -19.007 294 HG21 THR 38 HG21 THR 38 -18.377 16.314 -17.972 295 HG22 THR 38 HG22 THR 38 -17.738 16.403 -19.613 296 HG23 THR 38 HG23 THR 38 -19.480 16.326 -19.348 297 H VAL 39 H VAL 39 -15.985 19.474 -18.116 298 HA VAL 39 HA VAL 39 -14.544 17.193 -17.188 299 HB VAL 39 HB VAL 39 -13.710 18.505 -19.067 300 HG11 VAL 39 HG11 VAL 39 -13.278 20.711 -17.055 301 HG12 VAL 39 HG12 VAL 39 -12.778 20.736 -18.747 302 HG13 VAL 39 HG13 VAL 39 -14.492 20.704 -18.334 303 HG21 VAL 39 HG21 VAL 39 -11.534 18.129 -18.577 304 HG22 VAL 39 HG22 VAL 39 -11.604 19.045 -17.072 305 HG23 VAL 39 HG23 VAL 39 -12.216 17.392 -17.126 306 H MET 40 H MET 40 -15.256 20.375 -15.889 307 HA MET 40 HA MET 40 -13.404 20.283 -13.743 308 HB2 MET 40 HB2 MET 40 -14.682 22.308 -14.733 309 HB3 MET 40 HB3 MET 40 -15.983 21.822 -13.653 310 HG2 MET 40 HG2 MET 40 -15.011 23.045 -12.088 311 HG3 MET 40 HG3 MET 40 -13.729 21.838 -12.043 312 HE1 MET 40 HE1 MET 40 -11.210 22.423 -13.845 313 HE2 MET 40 HE2 MET 40 -10.763 23.656 -12.666 314 HE3 MET 40 HE3 MET 40 -11.649 22.222 -12.147 315 H ARG 41 H ARG 41 -16.693 19.155 -14.164 316 HA ARG 41 HA ARG 41 -17.460 18.756 -11.532 317 HB2 ARG 41 HB2 ARG 41 -18.132 17.403 -14.112 318 HB3 ARG 41 HB3 ARG 41 -18.703 16.694 -12.608 319 HG2 ARG 41 HG2 ARG 41 -20.130 18.431 -12.166 320 HG3 ARG 41 HG3 ARG 41 -19.181 19.590 -13.101 321 HD2 ARG 41 HD2 ARG 41 -20.648 19.311 -14.750 322 HD3 ARG 41 HD3 ARG 41 -19.988 17.689 -14.958 323 HE ARG 41 HE ARG 41 -21.839 17.429 -12.967 324 HH11 ARG 41 HH11 ARG 41 -21.884 18.613 -16.241 325 HH12 ARG 41 HH12 ARG 41 -23.535 18.165 -16.518 326 HH21 ARG 41 HH21 ARG 41 -24.013 16.834 -13.321 327 HH22 ARG 41 HH22 ARG 41 -24.745 17.153 -14.856 328 H ALA 42 H ALA 42 -15.389 16.791 -13.588 329 HA ALA 42 HA ALA 42 -15.233 14.555 -11.846 330 HB1 ALA 42 HB1 ALA 42 -12.883 14.566 -13.316 331 HB2 ALA 42 HB2 ALA 42 -14.392 13.762 -13.749 332 HB3 ALA 42 HB3 ALA 42 -14.051 15.382 -14.356 333 H LEU 43 H LEU 43 -13.633 17.628 -11.950 334 HA LEU 43 HA LEU 43 -11.513 16.789 -10.150 335 HB2 LEU 43 HB2 LEU 43 -11.424 18.551 -12.087 336 HB3 LEU 43 HB3 LEU 43 -12.053 19.639 -10.851 337 HG LEU 43 HG LEU 43 -9.621 19.811 -11.085 338 HD11 LEU 43 HD11 LEU 43 -10.094 18.496 -8.446 339 HD12 LEU 43 HD12 LEU 43 -10.939 19.988 -8.851 340 HD13 LEU 43 HD13 LEU 43 -9.176 19.954 -8.827 341 HD21 LEU 43 HD21 LEU 43 -9.686 17.084 -11.418 342 HD22 LEU 43 HD22 LEU 43 -9.017 17.270 -9.796 343 HD23 LEU 43 HD23 LEU 43 -8.238 18.060 -11.167 344 H GLY 44 H GLY 44 -14.486 18.676 -10.081 345 HA2 GLY 44 HA2 GLY 44 -14.727 18.308 -7.246 346 HA3 GLY 44 HA3 GLY 44 -14.331 19.967 -7.671 347 H ALA 45 H ALA 45 -16.713 17.406 -8.037 348 HA ALA 45 HA ALA 45 -18.656 19.312 -9.108 349 HB1 ALA 45 HB1 ALA 45 -18.792 17.367 -10.347 350 HB2 ALA 45 HB2 ALA 45 -18.538 16.330 -8.943 351 HB3 ALA 45 HB3 ALA 45 -20.087 17.143 -9.171 352 H ASN 46 H ASN 46 -17.758 19.554 -6.369 353 HA ASN 46 HA ASN 46 -19.689 18.468 -4.591 354 HB2 ASN 46 HB2 ASN 46 -17.355 20.159 -4.417 355 HB3 ASN 46 HB3 ASN 46 -18.659 20.813 -3.430 356 HD21 ASN 46 HD21 ASN 46 -17.695 20.340 -1.494 357 HD22 ASN 46 HD22 ASN 46 -17.495 18.727 -0.910 358 HA PRO 47 HA PRO 47 -21.707 22.851 -4.719 359 HB2 PRO 47 HB2 PRO 47 -20.801 24.594 -6.594 360 HB3 PRO 47 HB3 PRO 47 -20.103 24.476 -4.975 361 HG2 PRO 47 HG2 PRO 47 -19.130 23.296 -7.548 362 HG3 PRO 47 HG3 PRO 47 -18.205 24.096 -6.264 363 HD2 PRO 47 HD2 PRO 47 -18.319 21.403 -6.514 364 HD3 PRO 47 HD3 PRO 47 -18.170 22.209 -4.940 365 H THR 48 H THR 48 -22.848 24.278 -6.621 366 HA THR 48 HA THR 48 -24.053 22.261 -8.361 367 HB THR 48 HB THR 48 -25.207 24.959 -8.430 368 HG1 THR 48 HG1 THR 48 -25.949 24.933 -6.321 369 HG21 THR 48 HG21 THR 48 -26.010 22.294 -8.830 370 HG22 THR 48 HG22 THR 48 -26.997 23.748 -8.976 371 HG23 THR 48 HG23 THR 48 -26.926 22.880 -7.442 372 H LYS 49 H LYS 49 -24.822 23.149 -10.548 373 HA LYS 49 HA LYS 49 -22.568 23.773 -12.105 374 HB2 LYS 49 HB2 LYS 49 -25.522 23.871 -12.708 375 HB3 LYS 49 HB3 LYS 49 -24.294 24.207 -13.921 376 HG2 LYS 49 HG2 LYS 49 -23.456 21.818 -12.880 377 HG3 LYS 49 HG3 LYS 49 -25.214 21.665 -12.837 378 HD2 LYS 49 HD2 LYS 49 -24.426 20.831 -14.946 379 HD3 LYS 49 HD3 LYS 49 -25.270 22.355 -15.229 380 HE2 LYS 49 HE2 LYS 49 -23.334 23.488 -15.732 381 HE3 LYS 49 HE3 LYS 49 -22.324 22.401 -14.781 382 HZ1 LYS 49 HZ1 LYS 49 -21.831 21.905 -16.992 383 HZ2 LYS 49 HZ2 LYS 49 -23.450 21.966 -17.480 384 HZ3 LYS 49 HZ3 LYS 49 -22.899 20.677 -16.534 385 H GLN 50 H GLN 50 -25.084 25.780 -10.703 386 HA GLN 50 HA GLN 50 -24.512 28.147 -12.131 387 HB2 GLN 50 HB2 GLN 50 -26.390 27.360 -10.256 388 HB3 GLN 50 HB3 GLN 50 -25.452 28.577 -9.401 389 HG2 GLN 50 HG2 GLN 50 -26.217 30.264 -10.676 390 HG3 GLN 50 HG3 GLN 50 -26.257 29.283 -12.141 391 HE21 GLN 50 HE21 GLN 50 -28.185 31.080 -10.475 392 HE22 GLN 50 HE22 GLN 50 -29.657 30.178 -10.509 393 H LYS 51 H LYS 51 -23.007 26.614 -9.412 394 HA LYS 51 HA LYS 51 -21.590 28.932 -8.496 395 HB2 LYS 51 HB2 LYS 51 -20.877 26.049 -7.959 396 HB3 LYS 51 HB3 LYS 51 -20.473 27.457 -6.984 397 HG2 LYS 51 HG2 LYS 51 -23.274 26.449 -7.437 398 HG3 LYS 51 HG3 LYS 51 -22.280 26.056 -6.032 399 HD2 LYS 51 HD2 LYS 51 -22.314 28.259 -5.247 400 HD3 LYS 51 HD3 LYS 51 -22.818 28.904 -6.810 401 HE2 LYS 51 HE2 LYS 51 -24.841 27.144 -6.142 402 HE3 LYS 51 HE3 LYS 51 -24.417 27.892 -4.603 403 HZ1 LYS 51 HZ1 LYS 51 -24.785 30.050 -5.540 404 HZ2 LYS 51 HZ2 LYS 51 -26.155 29.101 -5.833 405 HZ3 LYS 51 HZ3 LYS 51 -25.051 29.401 -7.079 406 H ILE 52 H ILE 52 -20.664 26.015 -10.316 407 HA ILE 52 HA ILE 52 -17.987 26.783 -10.756 408 HB ILE 52 HB ILE 52 -18.671 24.475 -11.032 409 HG12 ILE 52 HG12 ILE 52 -17.593 23.997 -13.200 410 HG13 ILE 52 HG13 ILE 52 -17.759 25.690 -13.650 411 HG21 ILE 52 HG21 ILE 52 -20.065 23.742 -12.881 412 HG22 ILE 52 HG22 ILE 52 -20.935 24.903 -11.879 413 HG23 ILE 52 HG23 ILE 52 -20.252 25.409 -13.424 414 HD11 ILE 52 HD11 ILE 52 -16.273 26.336 -11.852 415 HD12 ILE 52 HD12 ILE 52 -16.144 24.656 -11.332 416 HD13 ILE 52 HD13 ILE 52 -15.500 25.146 -12.899 417 H SER 53 H SER 53 -20.956 27.364 -12.556 418 HA SER 53 HA SER 53 -19.714 28.436 -14.873 419 HB2 SER 53 HB2 SER 53 -21.939 29.200 -15.490 420 HB3 SER 53 HB3 SER 53 -22.045 27.570 -14.826 421 HG SER 53 HG SER 53 -23.602 29.233 -14.049 422 H GLU 54 H GLU 54 -20.733 29.786 -11.812 423 HA GLU 54 HA GLU 54 -20.507 32.522 -12.619 424 HB2 GLU 54 HB2 GLU 54 -21.918 31.711 -10.713 425 HB3 GLU 54 HB3 GLU 54 -20.438 31.395 -9.817 426 HG2 GLU 54 HG2 GLU 54 -19.860 33.753 -9.905 427 HG3 GLU 54 HG3 GLU 54 -21.314 34.085 -10.843 428 H ILE 55 H ILE 55 -18.355 30.137 -11.242 429 HA ILE 55 HA ILE 55 -16.305 31.995 -10.509 430 HB ILE 55 HB ILE 55 -16.147 29.008 -10.928 431 HG12 ILE 55 HG12 ILE 55 -16.131 30.373 -8.263 432 HG13 ILE 55 HG13 ILE 55 -17.665 30.108 -9.083 433 HG21 ILE 55 HG21 ILE 55 -13.947 29.834 -11.103 434 HG22 ILE 55 HG22 ILE 55 -14.193 30.987 -9.792 435 HG23 ILE 55 HG23 ILE 55 -14.109 29.261 -9.443 436 HD11 ILE 55 HD11 ILE 55 -15.843 28.187 -7.795 437 HD12 ILE 55 HD12 ILE 55 -17.602 28.188 -7.914 438 HD13 ILE 55 HD13 ILE 55 -16.625 27.651 -9.281 439 H VAL 56 H VAL 56 -16.723 29.700 -13.195 440 HA VAL 56 HA VAL 56 -14.337 30.183 -14.532 441 HB VAL 56 HB VAL 56 -15.748 28.355 -15.206 442 HG11 VAL 56 HG11 VAL 56 -17.894 28.614 -16.229 443 HG12 VAL 56 HG12 VAL 56 -17.902 29.524 -14.716 444 HG13 VAL 56 HG13 VAL 56 -17.728 30.370 -16.254 445 HG21 VAL 56 HG21 VAL 56 -15.733 28.645 -17.632 446 HG22 VAL 56 HG22 VAL 56 -15.550 30.388 -17.427 447 HG23 VAL 56 HG23 VAL 56 -14.264 29.299 -16.907 448 H LYS 57 H LYS 57 -17.437 31.878 -14.771 449 HA LYS 57 HA LYS 57 -16.554 33.666 -16.821 450 HB2 LYS 57 HB2 LYS 57 -18.922 33.793 -14.947 451 HB3 LYS 57 HB3 LYS 57 -18.655 34.904 -16.284 452 HG2 LYS 57 HG2 LYS 57 -19.109 31.934 -16.478 453 HG3 LYS 57 HG3 LYS 57 -20.239 33.213 -16.931 454 HD2 LYS 57 HD2 LYS 57 -17.556 32.679 -18.206 455 HD3 LYS 57 HD3 LYS 57 -19.131 32.284 -18.898 456 HE2 LYS 57 HE2 LYS 57 -18.125 35.051 -18.241 457 HE3 LYS 57 HE3 LYS 57 -18.227 34.344 -19.852 458 HZ1 LYS 57 HZ1 LYS 57 -20.199 35.398 -19.855 459 HZ2 LYS 57 HZ2 LYS 57 -20.327 35.434 -18.169 460 HZ3 LYS 57 HZ3 LYS 57 -20.730 34.027 -19.018 461 H ASP 58 H ASP 58 -16.256 33.563 -13.403 462 HA ASP 58 HA ASP 58 -15.812 36.402 -13.088 463 HB2 ASP 58 HB2 ASP 58 -16.830 35.108 -11.267 464 HB3 ASP 58 HB3 ASP 58 -15.380 34.117 -11.152 465 H TYR 59 H TYR 59 -13.894 33.477 -13.388 466 HA TYR 59 HA TYR 59 -11.412 34.907 -12.909 467 HB2 TYR 59 HB2 TYR 59 -12.251 32.204 -12.722 468 HB3 TYR 59 HB3 TYR 59 -10.979 32.269 -13.936 469 HD1 TYR 59 HD1 TYR 59 -11.712 33.538 -10.498 470 HD2 TYR 59 HD2 TYR 59 -8.786 32.103 -13.233 471 HE1 TYR 59 HE1 TYR 59 -10.020 33.605 -8.713 472 HE2 TYR 59 HE2 TYR 59 -7.086 32.165 -11.456 473 HH TYR 59 HH TYR 59 -6.706 33.346 -9.313 474 H ASP 60 H ASP 60 -13.251 33.583 -15.578 475 HA ASP 60 HA ASP 60 -11.134 34.323 -17.464 476 HB2 ASP 60 HB2 ASP 60 -13.722 32.862 -18.023 477 HB3 ASP 60 HB3 ASP 60 -12.350 33.035 -19.113 478 H LYS 61 H LYS 61 -12.718 36.322 -16.064 479 HA LYS 61 HA LYS 61 -14.629 37.381 -17.930 480 HB2 LYS 61 HB2 LYS 61 -14.943 39.149 -16.377 481 HB3 LYS 61 HB3 LYS 61 -14.706 37.692 -15.420 482 HG2 LYS 61 HG2 LYS 61 -12.280 38.374 -15.220 483 HG3 LYS 61 HG3 LYS 61 -12.762 39.931 -15.899 484 HD2 LYS 61 HD2 LYS 61 -14.027 40.495 -14.047 485 HD3 LYS 61 HD3 LYS 61 -14.240 38.813 -13.554 486 HE2 LYS 61 HE2 LYS 61 -11.880 38.707 -12.916 487 HE3 LYS 61 HE3 LYS 61 -11.669 40.386 -13.410 488 HZ1 LYS 61 HZ1 LYS 61 -12.071 39.870 -10.945 489 HZ2 LYS 61 HZ2 LYS 61 -13.691 39.661 -11.389 490 HZ3 LYS 61 HZ3 LYS 61 -12.928 41.150 -11.645 491 H ASP 62 H ASP 62 -11.245 37.529 -17.570 492 HA ASP 62 HA ASP 62 -10.962 40.063 -18.965 493 HB2 ASP 62 HB2 ASP 62 -8.681 39.950 -18.472 494 HB3 ASP 62 HB3 ASP 62 -9.426 39.166 -17.082 495 H ASN 63 H ASN 63 -11.921 37.221 -20.004 496 HA ASN 63 HA ASN 63 -10.718 37.592 -22.635 497 HB2 ASN 63 HB2 ASN 63 -10.267 35.258 -20.875 498 HB3 ASN 63 HB3 ASN 63 -10.679 34.882 -22.546 499 HD21 ASN 63 HD21 ASN 63 -8.188 34.451 -21.134 500 HD22 ASN 63 HD22 ASN 63 -6.973 35.313 -22.011 501 H SER 64 H SER 64 -12.632 34.973 -21.179 502 HA SER 64 HA SER 64 -15.142 35.793 -22.092 503 HB2 SER 64 HB2 SER 64 -13.607 35.090 -24.248 504 HB3 SER 64 HB3 SER 64 -14.423 33.571 -23.883 505 HG SER 64 HG SER 64 -15.837 36.009 -24.057 506 H GLY 65 H GLY 65 -16.422 33.454 -22.663 507 HA2 GLY 65 HA2 GLY 65 -16.067 31.991 -20.145 508 HA3 GLY 65 HA3 GLY 65 -17.513 31.990 -21.144 509 H LYS 66 H LYS 66 -14.225 31.474 -22.294 510 HA LYS 66 HA LYS 66 -14.965 28.690 -22.926 511 HB2 LYS 66 HB2 LYS 66 -13.241 30.588 -24.530 512 HB3 LYS 66 HB3 LYS 66 -13.490 28.889 -24.913 513 HG2 LYS 66 HG2 LYS 66 -16.033 30.130 -24.610 514 HG3 LYS 66 HG3 LYS 66 -15.045 31.113 -25.692 515 HD2 LYS 66 HD2 LYS 66 -14.987 28.185 -26.124 516 HD3 LYS 66 HD3 LYS 66 -16.490 29.017 -26.528 517 HE2 LYS 66 HE2 LYS 66 -14.102 30.397 -27.485 518 HE3 LYS 66 HE3 LYS 66 -14.292 28.779 -28.159 519 HZ1 LYS 66 HZ1 LYS 66 -15.380 30.541 -29.479 520 HZ2 LYS 66 HZ2 LYS 66 -16.417 30.852 -28.178 521 HZ3 LYS 66 HZ3 LYS 66 -16.459 29.349 -28.952 522 H PHE 67 H PHE 67 -13.355 27.107 -22.760 523 HA PHE 67 HA PHE 67 -11.020 27.922 -21.160 524 HB2 PHE 67 HB2 PHE 67 -13.008 26.028 -20.595 525 HB3 PHE 67 HB3 PHE 67 -11.589 25.087 -21.046 526 HD1 PHE 67 HD1 PHE 67 -12.583 27.950 -18.879 527 HD2 PHE 67 HD2 PHE 67 -10.009 24.606 -19.442 528 HE1 PHE 67 HE1 PHE 67 -11.647 28.296 -16.630 529 HE2 PHE 67 HE2 PHE 67 -9.070 24.947 -17.194 530 HZ PHE 67 HZ PHE 67 -9.888 26.793 -15.784 531 H ASP 68 H ASP 68 -9.035 27.495 -21.904 532 HA ASP 68 HA ASP 68 -8.817 25.865 -24.348 533 HB2 ASP 68 HB2 ASP 68 -6.684 27.201 -24.721 534 HB3 ASP 68 HB3 ASP 68 -8.196 28.090 -24.888 535 H GLN 69 H GLN 69 -7.369 24.221 -24.439 536 HA GLN 69 HA GLN 69 -6.560 22.889 -22.178 537 HB2 GLN 69 HB2 GLN 69 -5.149 21.547 -23.584 538 HB3 GLN 69 HB3 GLN 69 -6.597 21.959 -24.494 539 HG2 GLN 69 HG2 GLN 69 -4.968 22.306 -26.060 540 HG3 GLN 69 HG3 GLN 69 -5.144 23.925 -25.385 541 HE21 GLN 69 HE21 GLN 69 -3.147 24.720 -25.660 542 HE22 GLN 69 HE22 GLN 69 -1.714 24.038 -24.979 543 H GLU 70 H GLU 70 -4.898 25.444 -23.909 544 HA GLU 70 HA GLU 70 -2.363 25.194 -22.749 545 HB2 GLU 70 HB2 GLU 70 -3.599 26.938 -24.535 546 HB3 GLU 70 HB3 GLU 70 -3.132 27.963 -23.185 547 HG2 GLU 70 HG2 GLU 70 -0.836 27.239 -23.383 548 HG3 GLU 70 HG3 GLU 70 -1.276 26.115 -24.667 549 H THR 71 H THR 71 -5.282 26.808 -21.627 550 HA THR 71 HA THR 71 -4.151 28.206 -19.464 551 HB THR 71 HB THR 71 -6.962 27.151 -19.823 552 HG1 THR 71 HG1 THR 71 -5.662 29.603 -20.410 553 HG21 THR 71 HG21 THR 71 -5.701 28.794 -17.673 554 HG22 THR 71 HG22 THR 71 -6.935 27.540 -17.552 555 HG23 THR 71 HG23 THR 71 -7.361 29.142 -18.152 556 H PHE 72 H PHE 72 -5.678 25.002 -19.634 557 HA PHE 72 HA PHE 72 -5.438 24.391 -16.896 558 HB2 PHE 72 HB2 PHE 72 -6.933 23.158 -18.399 559 HB3 PHE 72 HB3 PHE 72 -5.543 22.518 -19.270 560 HD1 PHE 72 HD1 PHE 72 -7.462 22.382 -16.149 561 HD2 PHE 72 HD2 PHE 72 -4.230 20.728 -18.368 562 HE1 PHE 72 HE1 PHE 72 -7.381 20.472 -14.601 563 HE2 PHE 72 HE2 PHE 72 -4.144 18.814 -16.824 564 HZ PHE 72 HZ PHE 72 -5.721 18.684 -14.937 565 H LEU 73 H LEU 73 -3.292 23.833 -19.644 566 HA LEU 73 HA LEU 73 -1.391 22.272 -18.232 567 HB2 LEU 73 HB2 LEU 73 -1.708 23.377 -20.873 568 HB3 LEU 73 HB3 LEU 73 -0.054 23.598 -20.304 569 HG LEU 73 HG LEU 73 -0.931 20.903 -19.802 570 HD11 LEU 73 HD11 LEU 73 -0.759 21.350 -22.718 571 HD12 LEU 73 HD12 LEU 73 -2.279 21.779 -21.935 572 HD13 LEU 73 HD13 LEU 73 -1.652 20.135 -21.803 573 HD21 LEU 73 HD21 LEU 73 1.095 21.399 -21.857 574 HD22 LEU 73 HD22 LEU 73 1.196 20.471 -20.361 575 HD23 LEU 73 HD23 LEU 73 1.396 22.223 -20.327 576 H THR 74 H THR 74 -1.831 25.712 -18.709 577 HA THR 74 HA THR 74 0.741 26.468 -17.710 578 HB THR 74 HB THR 74 -1.783 28.107 -18.014 579 HG1 THR 74 HG1 THR 74 -0.607 28.868 -19.899 580 HG21 THR 74 HG21 THR 74 -0.197 30.040 -17.960 581 HG22 THR 74 HG22 THR 74 1.066 28.924 -17.447 582 HG23 THR 74 HG23 THR 74 -0.345 29.188 -16.424 583 H ILE 75 H ILE 75 -2.480 26.110 -16.325 584 HA ILE 75 HA ILE 75 -1.843 27.249 -13.798 585 HB ILE 75 HB ILE 75 -4.055 25.331 -14.540 586 HG12 ILE 75 HG12 ILE 75 -4.457 28.245 -14.021 587 HG13 ILE 75 HG13 ILE 75 -3.799 27.753 -15.578 588 HG21 ILE 75 HG21 ILE 75 -3.864 25.178 -12.215 589 HG22 ILE 75 HG22 ILE 75 -3.489 26.892 -12.043 590 HG23 ILE 75 HG23 ILE 75 -5.124 26.385 -12.467 591 HD11 ILE 75 HD11 ILE 75 -6.250 28.056 -15.572 592 HD12 ILE 75 HD12 ILE 75 -5.741 26.434 -16.042 593 HD13 ILE 75 HD13 ILE 75 -6.377 26.725 -14.423 594 H MET 76 H MET 76 -2.052 23.904 -14.978 595 HA MET 76 HA MET 76 -1.358 22.714 -12.497 596 HB2 MET 76 HB2 MET 76 -1.063 20.658 -13.785 597 HB3 MET 76 HB3 MET 76 -2.546 21.481 -14.250 598 HG2 MET 76 HG2 MET 76 -1.898 21.403 -16.356 599 HG3 MET 76 HG3 MET 76 -0.534 22.443 -15.956 600 HE1 MET 76 HE1 MET 76 1.802 20.525 -17.721 601 HE2 MET 76 HE2 MET 76 0.277 20.039 -18.461 602 HE3 MET 76 HE3 MET 76 0.485 21.688 -17.870 603 H LEU 77 H LEU 77 0.479 24.008 -15.156 604 HA LEU 77 HA LEU 77 2.960 22.780 -14.385 605 HB2 LEU 77 HB2 LEU 77 2.543 23.368 -16.702 606 HB3 LEU 77 HB3 LEU 77 2.362 25.064 -16.259 607 HG LEU 77 HG LEU 77 4.822 24.807 -15.413 608 HD11 LEU 77 HD11 LEU 77 4.348 22.247 -16.554 609 HD12 LEU 77 HD12 LEU 77 5.823 22.873 -15.817 610 HD13 LEU 77 HD13 LEU 77 5.542 23.088 -17.544 611 HD21 LEU 77 HD21 LEU 77 4.409 24.815 -18.386 612 HD22 LEU 77 HD22 LEU 77 5.576 25.727 -17.428 613 HD23 LEU 77 HD23 LEU 77 3.864 26.150 -17.368 614 H GLU 78 H GLU 78 1.392 25.896 -13.899 615 HA GLU 78 HA GLU 78 3.655 27.128 -12.664 616 HB2 GLU 78 HB2 GLU 78 0.799 27.832 -13.098 617 HB3 GLU 78 HB3 GLU 78 1.642 28.661 -11.797 618 HG2 GLU 78 HG2 GLU 78 2.568 28.563 -14.659 619 HG3 GLU 78 HG3 GLU 78 1.674 29.895 -13.929 620 H TYR 79 H TYR 79 1.044 25.123 -11.579 621 HA TYR 79 HA TYR 79 1.297 25.788 -8.799 622 HB2 TYR 79 HB2 TYR 79 -0.514 24.306 -10.412 623 HB3 TYR 79 HB3 TYR 79 0.085 23.224 -9.159 624 HD1 TYR 79 HD1 TYR 79 -0.901 26.835 -9.287 625 HD2 TYR 79 HD2 TYR 79 -1.355 23.061 -7.374 626 HE1 TYR 79 HE1 TYR 79 -2.461 27.845 -7.677 627 HE2 TYR 79 HE2 TYR 79 -2.917 24.062 -5.759 628 HH TYR 79 HH TYR 79 -3.163 27.058 -5.052 629 H GLY 80 H GLY 80 2.552 23.297 -10.943 630 HA2 GLY 80 HA2 GLY 80 4.119 21.647 -10.623 631 HA3 GLY 80 HA3 GLY 80 4.856 22.784 -9.505 632 H GLN 81 H GLN 81 1.646 21.536 -8.971 633 HA GLN 81 HA GLN 81 2.662 20.115 -6.610 634 HB2 GLN 81 HB2 GLN 81 1.054 21.815 -6.056 635 HB3 GLN 81 HB3 GLN 81 -0.074 21.210 -7.262 636 HG2 GLN 81 HG2 GLN 81 -0.540 19.275 -5.998 637 HG3 GLN 81 HG3 GLN 81 0.820 19.567 -4.916 638 HE21 GLN 81 HE21 GLN 81 0.696 21.426 -3.507 639 HE22 GLN 81 HE22 GLN 81 -0.847 21.970 -2.952 640 H GLU 82 H GLU 82 -0.285 19.695 -8.553 641 HA GLU 82 HA GLU 82 0.492 17.131 -9.543 642 HB2 GLU 82 HB2 GLU 82 -1.068 17.320 -7.036 643 HB3 GLU 82 HB3 GLU 82 -1.670 16.179 -8.230 644 HG2 GLU 82 HG2 GLU 82 -0.169 14.702 -7.573 645 HG3 GLU 82 HG3 GLU 82 1.123 15.805 -8.042 646 H VAL 83 H VAL 83 -2.676 18.331 -8.464 647 HA VAL 83 HA VAL 83 -4.561 18.910 -9.603 648 HB VAL 83 HB VAL 83 -2.817 19.288 -12.035 649 HG11 VAL 83 HG11 VAL 83 -4.877 19.632 -12.887 650 HG12 VAL 83 HG12 VAL 83 -5.596 19.946 -11.306 651 HG13 VAL 83 HG13 VAL 83 -4.695 21.217 -12.134 652 HG21 VAL 83 HG21 VAL 83 -1.697 20.747 -10.725 653 HG22 VAL 83 HG22 VAL 83 -3.093 21.778 -11.035 654 HG23 VAL 83 HG23 VAL 83 -2.999 20.847 -9.540 655 H ASP 84 H ASP 84 -6.124 18.032 -11.028 656 HA ASP 84 HA ASP 84 -5.333 15.637 -12.520 657 HB2 ASP 84 HB2 ASP 84 -7.812 15.556 -10.832 658 HB3 ASP 84 HB3 ASP 84 -6.863 14.220 -11.479 659 H SER 85 H SER 85 -7.750 14.763 -13.373 660 HA SER 85 HA SER 85 -9.285 15.098 -15.019 661 HB2 SER 85 HB2 SER 85 -9.574 17.660 -13.451 662 HB3 SER 85 HB3 SER 85 -10.605 17.278 -14.831 663 HG SER 85 HG SER 85 -11.698 16.467 -13.145 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.869 -1.292 -9.170 2 HA MET 1 HA MET 1 1.557 -1.854 -6.986 3 HB2 MET 1 HB2 MET 1 2.752 -3.992 -8.228 4 HB3 MET 1 HB3 MET 1 3.802 -3.738 -6.840 5 HG2 MET 1 HG2 MET 1 1.623 -3.697 -5.473 6 HG3 MET 1 HG3 MET 1 0.896 -4.436 -6.897 7 HE1 MET 1 HE1 MET 1 2.597 -5.449 -3.487 8 HE2 MET 1 HE2 MET 1 4.061 -6.203 -4.120 9 HE3 MET 1 HE3 MET 1 3.739 -4.497 -4.436 10 H SER 2 H SER 2 3.274 0.362 -7.474 11 HA SER 2 HA SER 2 4.607 0.471 -4.911 12 HB2 SER 2 HB2 SER 2 6.729 1.384 -6.073 13 HB3 SER 2 HB3 SER 2 6.486 -0.363 -6.052 14 HG SER 2 HG SER 2 7.041 0.824 -8.138 15 H GLU 3 H GLU 3 5.757 2.740 -4.755 16 HA GLU 3 HA GLU 3 3.794 4.693 -4.883 17 HB2 GLU 3 HB2 GLU 3 6.798 5.023 -4.830 18 HB3 GLU 3 HB3 GLU 3 5.649 6.323 -4.538 19 HG2 GLU 3 HG2 GLU 3 5.650 3.813 -2.900 20 HG3 GLU 3 HG3 GLU 3 6.686 5.187 -2.514 21 H GLN 4 H GLN 4 3.049 6.021 -6.417 22 HA GLN 4 HA GLN 4 4.651 6.555 -8.793 23 HB2 GLN 4 HB2 GLN 4 1.897 5.315 -8.880 24 HB3 GLN 4 HB3 GLN 4 2.703 6.024 -10.273 25 HG2 GLN 4 HG2 GLN 4 4.613 4.325 -9.493 26 HG3 GLN 4 HG3 GLN 4 3.197 3.464 -8.891 27 HE21 GLN 4 HE21 GLN 4 2.136 2.217 -10.265 28 HE22 GLN 4 HE22 GLN 4 2.292 2.247 -11.985 29 H LYS 5 H LYS 5 4.052 8.433 -9.912 30 HA LYS 5 HA LYS 5 2.220 10.185 -8.414 31 HB2 LYS 5 HB2 LYS 5 4.721 10.762 -8.642 32 HB3 LYS 5 HB3 LYS 5 4.347 11.135 -10.320 33 HG2 LYS 5 HG2 LYS 5 3.659 13.150 -9.733 34 HG3 LYS 5 HG3 LYS 5 2.436 12.443 -8.675 35 HD2 LYS 5 HD2 LYS 5 5.308 12.774 -7.839 36 HD3 LYS 5 HD3 LYS 5 4.097 14.035 -7.595 37 HE2 LYS 5 HE2 LYS 5 2.941 11.659 -6.655 38 HE3 LYS 5 HE3 LYS 5 4.599 11.658 -6.056 39 HZ1 LYS 5 HZ1 LYS 5 2.495 12.994 -4.953 40 HZ2 LYS 5 HZ2 LYS 5 3.338 14.209 -5.774 41 HZ3 LYS 5 HZ3 LYS 5 4.129 13.267 -4.614 42 H LYS 6 H LYS 6 0.308 10.370 -9.366 43 HA LYS 6 HA LYS 6 0.163 10.291 -12.302 44 HB2 LYS 6 HB2 LYS 6 -2.309 9.922 -11.876 45 HB3 LYS 6 HB3 LYS 6 -1.238 8.620 -11.374 46 HG2 LYS 6 HG2 LYS 6 -1.845 10.641 -9.320 47 HG3 LYS 6 HG3 LYS 6 -3.196 9.630 -9.838 48 HD2 LYS 6 HD2 LYS 6 -0.928 7.956 -9.489 49 HD3 LYS 6 HD3 LYS 6 -1.073 8.984 -8.061 50 HE2 LYS 6 HE2 LYS 6 -3.491 7.618 -9.164 51 HE3 LYS 6 HE3 LYS 6 -2.347 6.709 -8.176 52 HZ1 LYS 6 HZ1 LYS 6 -3.382 9.291 -7.214 53 HZ2 LYS 6 HZ2 LYS 6 -2.806 7.971 -6.326 54 HZ3 LYS 6 HZ3 LYS 6 -4.329 7.898 -7.057 55 H VAL 7 H VAL 7 0.925 12.628 -10.632 56 HA VAL 7 HA VAL 7 -1.118 14.481 -11.658 57 HB VAL 7 HB VAL 7 0.307 14.859 -9.024 58 HG11 VAL 7 HG11 VAL 7 -1.426 16.516 -10.699 59 HG12 VAL 7 HG12 VAL 7 -1.936 16.420 -9.013 60 HG13 VAL 7 HG13 VAL 7 -0.311 16.977 -9.414 61 HG21 VAL 7 HG21 VAL 7 -1.118 13.095 -8.540 62 HG22 VAL 7 HG22 VAL 7 -2.107 14.503 -8.151 63 HG23 VAL 7 HG23 VAL 7 -2.352 13.647 -9.673 64 H LEU 8 H LEU 8 -0.359 16.313 -12.611 65 HA LEU 8 HA LEU 8 1.100 17.695 -13.674 66 HB2 LEU 8 HB2 LEU 8 1.965 17.474 -10.977 67 HB3 LEU 8 HB3 LEU 8 3.395 17.526 -12.007 68 HG LEU 8 HG LEU 8 2.901 19.749 -11.286 69 HD11 LEU 8 HD11 LEU 8 3.634 19.430 -13.627 70 HD12 LEU 8 HD12 LEU 8 2.665 20.884 -13.394 71 HD13 LEU 8 HD13 LEU 8 1.944 19.452 -14.128 72 HD21 LEU 8 HD21 LEU 8 0.851 20.605 -11.026 73 HD22 LEU 8 HD22 LEU 8 0.286 18.944 -11.211 74 HD23 LEU 8 HD23 LEU 8 0.308 20.029 -12.602 75 H THR 9 H THR 9 1.239 14.711 -14.036 76 HA THR 9 HA THR 9 3.994 14.513 -15.058 77 HB THR 9 HB THR 9 2.845 11.972 -15.226 78 HG1 THR 9 HG1 THR 9 2.320 11.865 -12.810 79 HG21 THR 9 HG21 THR 9 5.101 12.131 -14.666 80 HG22 THR 9 HG22 THR 9 4.359 11.592 -13.160 81 HG23 THR 9 HG23 THR 9 4.800 13.287 -13.370 82 H ALA 10 H ALA 10 4.138 13.008 -17.029 83 HA ALA 10 HA ALA 10 2.952 14.187 -19.216 84 HB1 ALA 10 HB1 ALA 10 3.539 12.029 -20.420 85 HB2 ALA 10 HB2 ALA 10 4.857 12.857 -19.591 86 HB3 ALA 10 HB3 ALA 10 4.109 11.438 -18.860 87 H GLU 11 H GLU 11 1.827 11.418 -17.337 88 HA GLU 11 HA GLU 11 -0.239 10.551 -18.984 89 HB2 GLU 11 HB2 GLU 11 0.191 10.471 -16.016 90 HB3 GLU 11 HB3 GLU 11 -1.318 9.890 -16.705 91 HG2 GLU 11 HG2 GLU 11 1.346 8.893 -17.652 92 HG3 GLU 11 HG3 GLU 11 0.513 8.183 -16.269 93 H GLU 12 H GLU 12 -0.148 13.188 -16.653 94 HA GLU 12 HA GLU 12 -2.922 13.758 -16.687 95 HB2 GLU 12 HB2 GLU 12 -1.641 14.601 -14.867 96 HB3 GLU 12 HB3 GLU 12 -0.508 15.403 -15.946 97 HG2 GLU 12 HG2 GLU 12 -1.828 17.203 -16.218 98 HG3 GLU 12 HG3 GLU 12 -3.312 16.253 -16.190 99 H GLN 13 H GLN 13 -0.173 15.071 -18.501 100 HA GLN 13 HA GLN 13 -1.559 17.064 -19.895 101 HB2 GLN 13 HB2 GLN 13 1.022 16.388 -19.742 102 HB3 GLN 13 HB3 GLN 13 0.645 15.629 -21.282 103 HG2 GLN 13 HG2 GLN 13 0.677 17.572 -22.342 104 HG3 GLN 13 HG3 GLN 13 -0.407 18.309 -21.163 105 HE21 GLN 13 HE21 GLN 13 0.961 18.355 -18.893 106 HE22 GLN 13 HE22 GLN 13 2.416 19.274 -19.047 107 H GLN 14 H GLN 14 -0.780 13.732 -20.882 108 HA GLN 14 HA GLN 14 -2.097 13.831 -23.362 109 HB2 GLN 14 HB2 GLN 14 -2.026 11.364 -23.274 110 HB3 GLN 14 HB3 GLN 14 -0.480 12.094 -22.862 111 HG2 GLN 14 HG2 GLN 14 -1.020 11.777 -20.468 112 HG3 GLN 14 HG3 GLN 14 -2.493 10.936 -20.949 113 HE21 GLN 14 HE21 GLN 14 -2.328 8.919 -21.976 114 HE22 GLN 14 HE22 GLN 14 -0.899 7.957 -21.848 115 H GLU 15 H GLU 15 -3.207 12.858 -20.147 116 HA GLU 15 HA GLU 15 -5.720 11.869 -20.875 117 HB2 GLU 15 HB2 GLU 15 -4.452 12.843 -18.390 118 HB3 GLU 15 HB3 GLU 15 -6.209 12.893 -18.414 119 HG2 GLU 15 HG2 GLU 15 -5.084 10.380 -19.386 120 HG3 GLU 15 HG3 GLU 15 -4.698 10.742 -17.705 121 H TYR 16 H TYR 16 -4.672 15.150 -20.069 122 HA TYR 16 HA TYR 16 -7.302 16.267 -20.292 123 HB2 TYR 16 HB2 TYR 16 -5.205 17.152 -18.991 124 HB3 TYR 16 HB3 TYR 16 -4.806 17.911 -20.528 125 HD1 TYR 16 HD1 TYR 16 -7.601 17.609 -18.075 126 HD2 TYR 16 HD2 TYR 16 -5.690 19.998 -21.033 127 HE1 TYR 16 HE1 TYR 16 -9.115 19.472 -17.541 128 HE2 TYR 16 HE2 TYR 16 -7.199 21.868 -20.506 129 HH TYR 16 HH TYR 16 -9.949 21.672 -19.102 130 H LYS 17 H LYS 17 -4.477 16.023 -22.391 131 HA LYS 17 HA LYS 17 -5.280 17.711 -24.450 132 HB2 LYS 17 HB2 LYS 17 -3.581 15.228 -24.412 133 HB3 LYS 17 HB3 LYS 17 -3.885 16.106 -25.906 134 HG2 LYS 17 HG2 LYS 17 -3.071 17.970 -23.919 135 HG3 LYS 17 HG3 LYS 17 -1.934 16.619 -23.928 136 HD2 LYS 17 HD2 LYS 17 -2.807 17.934 -26.480 137 HD3 LYS 17 HD3 LYS 17 -1.491 18.601 -25.510 138 HE2 LYS 17 HE2 LYS 17 -0.967 15.860 -25.709 139 HE3 LYS 17 HE3 LYS 17 -1.486 16.358 -27.319 140 HZ1 LYS 17 HZ1 LYS 17 0.440 17.377 -27.650 141 HZ2 LYS 17 HZ2 LYS 17 1.008 16.698 -26.208 142 HZ3 LYS 17 HZ3 LYS 17 0.321 18.243 -26.202 143 H GLU 18 H GLU 18 -5.886 14.229 -24.050 144 HA GLU 18 HA GLU 18 -7.495 14.056 -26.410 145 HB2 GLU 18 HB2 GLU 18 -7.828 11.784 -25.845 146 HB3 GLU 18 HB3 GLU 18 -6.186 12.162 -25.344 147 HG2 GLU 18 HG2 GLU 18 -6.923 11.006 -23.524 148 HG3 GLU 18 HG3 GLU 18 -7.325 12.653 -23.040 149 H ALA 19 H ALA 19 -8.088 14.613 -23.011 150 HA ALA 19 HA ALA 19 -10.850 14.103 -22.953 151 HB1 ALA 19 HB1 ALA 19 -9.541 14.330 -20.922 152 HB2 ALA 19 HB2 ALA 19 -9.234 16.028 -21.286 153 HB3 ALA 19 HB3 ALA 19 -10.873 15.486 -20.925 154 H PHE 20 H PHE 20 -9.089 17.166 -23.411 155 HA PHE 20 HA PHE 20 -11.475 18.657 -23.925 156 HB2 PHE 20 HB2 PHE 20 -10.135 20.486 -23.862 157 HB3 PHE 20 HB3 PHE 20 -8.972 19.360 -23.170 158 HD1 PHE 20 HD1 PHE 20 -9.920 21.257 -26.151 159 HD2 PHE 20 HD2 PHE 20 -7.076 18.591 -24.440 160 HE1 PHE 20 HE1 PHE 20 -8.363 21.742 -27.993 161 HE2 PHE 20 HE2 PHE 20 -5.514 19.073 -26.280 162 HZ PHE 20 HZ PHE 20 -6.157 20.649 -28.059 163 H GLN 21 H GLN 21 -9.095 16.996 -25.877 164 HA GLN 21 HA GLN 21 -9.825 18.125 -28.371 165 HB2 GLN 21 HB2 GLN 21 -7.699 17.064 -28.210 166 HB3 GLN 21 HB3 GLN 21 -8.414 15.568 -27.625 167 HG2 GLN 21 HG2 GLN 21 -9.482 15.240 -29.809 168 HG3 GLN 21 HG3 GLN 21 -8.716 16.718 -30.389 169 HE21 GLN 21 HE21 GLN 21 -7.866 13.661 -28.804 170 HE22 GLN 21 HE22 GLN 21 -6.413 13.401 -29.702 171 H LEU 22 H LEU 22 -10.783 15.145 -26.705 172 HA LEU 22 HA LEU 22 -12.474 14.185 -28.756 173 HB2 LEU 22 HB2 LEU 22 -11.715 12.647 -27.128 174 HB3 LEU 22 HB3 LEU 22 -12.322 13.640 -25.805 175 HG LEU 22 HG LEU 22 -14.522 12.908 -27.458 176 HD11 LEU 22 HD11 LEU 22 -12.677 11.038 -27.905 177 HD12 LEU 22 HD12 LEU 22 -14.397 10.669 -27.773 178 HD13 LEU 22 HD13 LEU 22 -13.334 10.418 -26.389 179 HD21 LEU 22 HD21 LEU 22 -13.678 12.103 -24.677 180 HD22 LEU 22 HD22 LEU 22 -15.278 11.830 -25.370 181 HD23 LEU 22 HD23 LEU 22 -14.694 13.476 -25.117 182 H PHE 23 H PHE 23 -12.959 16.403 -26.096 183 HA PHE 23 HA PHE 23 -15.830 16.469 -26.435 184 HB2 PHE 23 HB2 PHE 23 -13.958 17.304 -24.433 185 HB3 PHE 23 HB3 PHE 23 -14.955 18.681 -24.892 186 HD1 PHE 23 HD1 PHE 23 -17.541 18.123 -25.072 187 HD2 PHE 23 HD2 PHE 23 -14.715 15.936 -22.760 188 HE1 PHE 23 HE1 PHE 23 -19.363 17.277 -23.651 189 HE2 PHE 23 HE2 PHE 23 -16.533 15.087 -21.335 190 HZ PHE 23 HZ PHE 23 -18.861 15.759 -21.780 191 H ASP 24 H ASP 24 -13.416 17.605 -28.263 192 HA ASP 24 HA ASP 24 -14.743 20.151 -28.897 193 HB2 ASP 24 HB2 ASP 24 -11.941 19.147 -29.272 194 HB3 ASP 24 HB3 ASP 24 -12.555 20.440 -30.297 195 H LYS 25 H LYS 25 -16.400 18.636 -29.895 196 HA LYS 25 HA LYS 25 -15.672 17.383 -32.385 197 HB2 LYS 25 HB2 LYS 25 -17.697 16.989 -30.593 198 HB3 LYS 25 HB3 LYS 25 -18.527 17.871 -31.868 199 HG2 LYS 25 HG2 LYS 25 -17.246 16.087 -33.375 200 HG3 LYS 25 HG3 LYS 25 -17.364 15.153 -31.882 201 HD2 LYS 25 HD2 LYS 25 -19.289 14.655 -33.208 202 HD3 LYS 25 HD3 LYS 25 -19.815 15.660 -31.857 203 HE2 LYS 25 HE2 LYS 25 -19.187 17.505 -33.799 204 HE3 LYS 25 HE3 LYS 25 -19.891 16.180 -34.726 205 HZ1 LYS 25 HZ1 LYS 25 -21.314 18.097 -33.512 206 HZ2 LYS 25 HZ2 LYS 25 -21.341 16.891 -32.326 207 HZ3 LYS 25 HZ3 LYS 25 -21.916 16.560 -33.881 208 H ASP 26 H ASP 26 -16.628 20.501 -31.381 209 HA ASP 26 HA ASP 26 -17.614 21.263 -34.017 210 HB2 ASP 26 HB2 ASP 26 -17.224 23.133 -31.691 211 HB3 ASP 26 HB3 ASP 26 -18.350 23.275 -33.038 212 H ASN 27 H ASN 27 -14.713 20.592 -33.145 213 HA ASN 27 HA ASN 27 -12.597 21.305 -33.598 214 HB2 ASN 27 HB2 ASN 27 -13.909 21.346 -35.893 215 HB3 ASN 27 HB3 ASN 27 -13.645 23.082 -35.762 216 HD21 ASN 27 HD21 ASN 27 -11.703 20.200 -35.036 217 HD22 ASN 27 HD22 ASN 27 -10.323 20.694 -35.952 218 H ASP 28 H ASP 28 -14.163 22.884 -31.703 219 HA ASP 28 HA ASP 28 -13.471 25.645 -32.131 220 HB2 ASP 28 HB2 ASP 28 -14.964 24.089 -30.121 221 HB3 ASP 28 HB3 ASP 28 -14.117 25.497 -29.486 222 H ASN 29 H ASN 29 -11.986 22.884 -30.704 223 HA ASN 29 HA ASN 29 -9.945 22.556 -29.754 224 HB2 ASN 29 HB2 ASN 29 -9.526 24.535 -31.601 225 HB3 ASN 29 HB3 ASN 29 -8.938 25.293 -30.124 226 HD21 ASN 29 HD21 ASN 29 -7.952 23.655 -32.706 227 HD22 ASN 29 HD22 ASN 29 -6.585 22.821 -32.056 228 H LYS 30 H LYS 30 -12.272 24.105 -28.415 229 HA LYS 30 HA LYS 30 -10.832 24.568 -25.928 230 HB2 LYS 30 HB2 LYS 30 -12.489 26.669 -27.320 231 HB3 LYS 30 HB3 LYS 30 -12.141 26.726 -25.596 232 HG2 LYS 30 HG2 LYS 30 -10.366 27.934 -26.206 233 HG3 LYS 30 HG3 LYS 30 -9.653 26.378 -26.639 234 HD2 LYS 30 HD2 LYS 30 -9.711 26.846 -28.828 235 HD3 LYS 30 HD3 LYS 30 -11.355 27.481 -28.735 236 HE2 LYS 30 HE2 LYS 30 -10.423 29.583 -27.789 237 HE3 LYS 30 HE3 LYS 30 -8.804 28.940 -28.056 238 HZ1 LYS 30 HZ1 LYS 30 -9.056 30.066 -29.984 239 HZ2 LYS 30 HZ2 LYS 30 -10.745 29.947 -29.984 240 HZ3 LYS 30 HZ3 LYS 30 -9.803 28.629 -30.474 241 H LEU 31 H LEU 31 -12.354 24.868 -24.080 242 HA LEU 31 HA LEU 31 -14.878 23.427 -24.570 243 HB2 LEU 31 HB2 LEU 31 -12.814 23.141 -22.446 244 HB3 LEU 31 HB3 LEU 31 -14.499 22.848 -22.022 245 HG LEU 31 HG LEU 31 -14.594 21.117 -23.797 246 HD11 LEU 31 HD11 LEU 31 -12.894 21.838 -25.296 247 HD12 LEU 31 HD12 LEU 31 -12.393 20.279 -24.646 248 HD13 LEU 31 HD13 LEU 31 -11.663 21.763 -24.034 249 HD21 LEU 31 HD21 LEU 31 -14.234 19.838 -22.015 250 HD22 LEU 31 HD22 LEU 31 -13.132 21.019 -21.308 251 HD23 LEU 31 HD23 LEU 31 -12.526 19.826 -22.457 252 H THR 32 H THR 32 -16.670 24.489 -24.057 253 HA THR 32 HA THR 32 -16.553 27.091 -22.873 254 HB THR 32 HB THR 32 -18.884 27.256 -23.276 255 HG1 THR 32 HG1 THR 32 -20.137 25.588 -22.968 256 HG21 THR 32 HG21 THR 32 -18.814 27.153 -25.528 257 HG22 THR 32 HG22 THR 32 -18.396 25.440 -25.537 258 HG23 THR 32 HG23 THR 32 -17.141 26.652 -25.276 259 H ALA 33 H ALA 33 -18.305 27.605 -21.136 260 HA ALA 33 HA ALA 33 -17.501 26.611 -18.703 261 HB1 ALA 33 HB1 ALA 33 -18.941 28.655 -19.211 262 HB2 ALA 33 HB2 ALA 33 -20.316 27.551 -19.159 263 HB3 ALA 33 HB3 ALA 33 -19.298 27.761 -17.734 264 H GLU 34 H GLU 34 -19.884 25.308 -20.905 265 HA GLU 34 HA GLU 34 -21.064 23.486 -19.060 266 HB2 GLU 34 HB2 GLU 34 -21.091 23.777 -22.045 267 HB3 GLU 34 HB3 GLU 34 -21.768 22.339 -21.293 268 HG2 GLU 34 HG2 GLU 34 -23.391 23.610 -20.122 269 HG3 GLU 34 HG3 GLU 34 -22.610 25.128 -20.562 270 H GLU 35 H GLU 35 -18.523 23.209 -21.514 271 HA GLU 35 HA GLU 35 -18.090 20.420 -21.072 272 HB2 GLU 35 HB2 GLU 35 -16.418 22.523 -22.453 273 HB3 GLU 35 HB3 GLU 35 -16.006 20.814 -22.416 274 HG2 GLU 35 HG2 GLU 35 -17.808 20.223 -23.763 275 HG3 GLU 35 HG3 GLU 35 -18.655 21.736 -23.454 276 H LEU 36 H LEU 36 -16.742 23.385 -19.787 277 HA LEU 36 HA LEU 36 -14.508 22.168 -18.497 278 HB2 LEU 36 HB2 LEU 36 -14.367 24.481 -18.995 279 HB3 LEU 36 HB3 LEU 36 -15.885 24.820 -18.167 280 HG LEU 36 HG LEU 36 -14.582 23.998 -16.054 281 HD11 LEU 36 HD11 LEU 36 -12.376 23.736 -16.184 282 HD12 LEU 36 HD12 LEU 36 -12.177 25.200 -17.147 283 HD13 LEU 36 HD13 LEU 36 -12.588 23.676 -17.935 284 HD21 LEU 36 HD21 LEU 36 -14.013 26.672 -17.331 285 HD22 LEU 36 HD22 LEU 36 -13.895 26.286 -15.615 286 HD23 LEU 36 HD23 LEU 36 -15.465 26.260 -16.417 287 H GLY 37 H GLY 37 -17.832 22.810 -17.610 288 HA2 GLY 37 HA2 GLY 37 -17.517 22.367 -14.813 289 HA3 GLY 37 HA3 GLY 37 -19.032 22.349 -15.701 290 H THR 38 H THR 38 -18.272 20.271 -17.539 291 HA THR 38 HA THR 38 -18.906 18.006 -15.892 292 HB THR 38 HB THR 38 -19.923 18.157 -18.082 293 HG1 THR 38 HG1 THR 38 -18.905 16.059 -18.942 294 HG21 THR 38 HG21 THR 38 -17.118 17.972 -19.190 295 HG22 THR 38 HG22 THR 38 -18.143 19.406 -19.220 296 HG23 THR 38 HG23 THR 38 -18.607 17.972 -20.135 297 H VAL 39 H VAL 39 -16.088 19.131 -17.693 298 HA VAL 39 HA VAL 39 -14.540 16.769 -17.226 299 HB VAL 39 HB VAL 39 -14.159 18.371 -19.125 300 HG11 VAL 39 HG11 VAL 39 -14.343 20.406 -17.629 301 HG12 VAL 39 HG12 VAL 39 -12.697 20.049 -17.102 302 HG13 VAL 39 HG13 VAL 39 -13.023 20.414 -18.797 303 HG21 VAL 39 HG21 VAL 39 -12.316 17.116 -19.184 304 HG22 VAL 39 HG22 VAL 39 -11.508 18.428 -18.325 305 HG23 VAL 39 HG23 VAL 39 -12.198 17.076 -17.426 306 H MET 40 H MET 40 -14.992 19.827 -15.583 307 HA MET 40 HA MET 40 -12.747 19.591 -13.846 308 HB2 MET 40 HB2 MET 40 -13.846 21.746 -14.337 309 HB3 MET 40 HB3 MET 40 -15.285 21.196 -13.491 310 HG2 MET 40 HG2 MET 40 -14.461 21.976 -11.601 311 HG3 MET 40 HG3 MET 40 -13.110 20.854 -11.733 312 HE1 MET 40 HE1 MET 40 -12.557 23.586 -10.152 313 HE2 MET 40 HE2 MET 40 -11.490 22.221 -10.483 314 HE3 MET 40 HE3 MET 40 -10.965 23.861 -10.863 315 H ARG 41 H ARG 41 -16.204 18.867 -13.496 316 HA ARG 41 HA ARG 41 -16.108 18.051 -10.807 317 HB2 ARG 41 HB2 ARG 41 -18.265 16.986 -11.235 318 HB3 ARG 41 HB3 ARG 41 -18.203 18.584 -11.968 319 HG2 ARG 41 HG2 ARG 41 -17.888 17.648 -14.144 320 HG3 ARG 41 HG3 ARG 41 -17.707 16.027 -13.470 321 HD2 ARG 41 HD2 ARG 41 -19.937 16.396 -14.442 322 HD3 ARG 41 HD3 ARG 41 -20.005 16.049 -12.715 323 HE ARG 41 HE ARG 41 -19.942 18.853 -13.276 324 HH11 ARG 41 HH11 ARG 41 -22.002 16.054 -13.075 325 HH12 ARG 41 HH12 ARG 41 -23.435 16.971 -12.747 326 HH21 ARG 41 HH21 ARG 41 -21.821 20.072 -12.845 327 HH22 ARG 41 HH22 ARG 41 -23.331 19.256 -12.618 328 H ALA 42 H ALA 42 -15.407 16.379 -13.797 329 HA ALA 42 HA ALA 42 -15.456 13.736 -12.825 330 HB1 ALA 42 HB1 ALA 42 -15.278 14.683 -15.261 331 HB2 ALA 42 HB2 ALA 42 -13.544 14.537 -14.969 332 HB3 ALA 42 HB3 ALA 42 -14.581 13.114 -14.855 333 H LEU 43 H LEU 43 -13.328 16.296 -12.185 334 HA LEU 43 HA LEU 43 -11.228 14.443 -11.280 335 HB2 LEU 43 HB2 LEU 43 -11.163 17.326 -12.109 336 HB3 LEU 43 HB3 LEU 43 -9.868 16.618 -11.146 337 HG LEU 43 HG LEU 43 -10.706 15.613 -13.863 338 HD11 LEU 43 HD11 LEU 43 -8.841 17.754 -13.030 339 HD12 LEU 43 HD12 LEU 43 -9.775 17.573 -14.514 340 HD13 LEU 43 HD13 LEU 43 -8.288 16.650 -14.291 341 HD21 LEU 43 HD21 LEU 43 -8.873 14.677 -11.798 342 HD22 LEU 43 HD22 LEU 43 -8.110 14.866 -13.377 343 HD23 LEU 43 HD23 LEU 43 -9.528 13.833 -13.202 344 H GLY 44 H GLY 44 -12.132 17.742 -10.294 345 HA2 GLY 44 HA2 GLY 44 -12.453 16.725 -7.540 346 HA3 GLY 44 HA3 GLY 44 -11.522 18.176 -7.878 347 H ALA 45 H ALA 45 -12.637 20.045 -8.688 348 HA ALA 45 HA ALA 45 -14.326 21.572 -8.703 349 HB1 ALA 45 HB1 ALA 45 -15.347 19.841 -10.220 350 HB2 ALA 45 HB2 ALA 45 -16.239 19.252 -8.816 351 HB3 ALA 45 HB3 ALA 45 -16.492 20.899 -9.394 352 H ASN 46 H ASN 46 -13.706 22.055 -6.497 353 HA ASN 46 HA ASN 46 -14.997 20.846 -4.275 354 HB2 ASN 46 HB2 ASN 46 -13.012 22.877 -4.717 355 HB3 ASN 46 HB3 ASN 46 -14.203 23.464 -3.560 356 HD21 ASN 46 HD21 ASN 46 -13.083 23.336 -1.711 357 HD22 ASN 46 HD22 ASN 46 -12.423 21.878 -1.061 358 HA PRO 47 HA PRO 47 -17.786 24.786 -4.242 359 HB2 PRO 47 HB2 PRO 47 -17.627 26.452 -6.379 360 HB3 PRO 47 HB3 PRO 47 -16.602 26.624 -4.949 361 HG2 PRO 47 HG2 PRO 47 -15.971 25.365 -7.591 362 HG3 PRO 47 HG3 PRO 47 -14.971 26.440 -6.596 363 HD2 PRO 47 HD2 PRO 47 -14.625 23.755 -6.639 364 HD3 PRO 47 HD3 PRO 47 -14.312 24.735 -5.192 365 H THR 48 H THR 48 -19.524 25.805 -5.960 366 HA THR 48 HA THR 48 -20.690 23.439 -7.215 367 HB THR 48 HB THR 48 -22.065 24.807 -5.650 368 HG1 THR 48 HG1 THR 48 -23.890 24.749 -7.002 369 HG21 THR 48 HG21 THR 48 -22.438 27.010 -5.914 370 HG22 THR 48 HG22 THR 48 -22.610 26.870 -7.663 371 HG23 THR 48 HG23 THR 48 -21.005 26.967 -6.940 372 H LYS 49 H LYS 49 -21.988 23.899 -9.270 373 HA LYS 49 HA LYS 49 -20.213 24.644 -11.317 374 HB2 LYS 49 HB2 LYS 49 -22.260 23.100 -11.436 375 HB3 LYS 49 HB3 LYS 49 -23.208 24.569 -11.628 376 HG2 LYS 49 HG2 LYS 49 -22.131 25.101 -13.673 377 HG3 LYS 49 HG3 LYS 49 -20.913 23.847 -13.431 378 HD2 LYS 49 HD2 LYS 49 -22.645 22.129 -13.614 379 HD3 LYS 49 HD3 LYS 49 -23.867 23.382 -13.847 380 HE2 LYS 49 HE2 LYS 49 -23.452 23.373 -16.027 381 HE3 LYS 49 HE3 LYS 49 -21.784 23.851 -15.710 382 HZ1 LYS 49 HZ1 LYS 49 -22.602 21.026 -15.491 383 HZ2 LYS 49 HZ2 LYS 49 -21.061 21.669 -15.770 384 HZ3 LYS 49 HZ3 LYS 49 -22.223 21.694 -16.998 385 H GLN 50 H GLN 50 -22.729 26.415 -9.629 386 HA GLN 50 HA GLN 50 -22.848 28.630 -11.382 387 HB2 GLN 50 HB2 GLN 50 -24.331 27.844 -9.279 388 HB3 GLN 50 HB3 GLN 50 -23.350 29.074 -8.494 389 HG2 GLN 50 HG2 GLN 50 -25.130 30.327 -9.165 390 HG3 GLN 50 HG3 GLN 50 -24.062 30.521 -10.553 391 HE21 GLN 50 HE21 GLN 50 -26.554 28.286 -9.372 392 HE22 GLN 50 HE22 GLN 50 -27.346 28.094 -10.894 393 H LYS 51 H LYS 51 -20.777 27.817 -8.676 394 HA LYS 51 HA LYS 51 -19.610 30.402 -8.391 395 HB2 LYS 51 HB2 LYS 51 -18.781 27.652 -7.475 396 HB3 LYS 51 HB3 LYS 51 -17.810 29.082 -7.150 397 HG2 LYS 51 HG2 LYS 51 -20.686 29.113 -6.395 398 HG3 LYS 51 HG3 LYS 51 -19.552 28.191 -5.405 399 HD2 LYS 51 HD2 LYS 51 -18.254 30.596 -5.813 400 HD3 LYS 51 HD3 LYS 51 -19.943 31.067 -5.608 401 HE2 LYS 51 HE2 LYS 51 -18.719 29.108 -3.717 402 HE3 LYS 51 HE3 LYS 51 -18.366 30.824 -3.532 403 HZ1 LYS 51 HZ1 LYS 51 -20.521 31.304 -2.989 404 HZ2 LYS 51 HZ2 LYS 51 -20.390 29.753 -2.324 405 HZ3 LYS 51 HZ3 LYS 51 -21.161 29.973 -3.813 406 H ILE 52 H ILE 52 -18.474 27.386 -9.905 407 HA ILE 52 HA ILE 52 -16.052 28.418 -10.885 408 HB ILE 52 HB ILE 52 -16.427 26.025 -10.765 409 HG12 ILE 52 HG12 ILE 52 -16.094 26.931 -13.634 410 HG13 ILE 52 HG13 ILE 52 -14.814 26.888 -12.426 411 HG21 ILE 52 HG21 ILE 52 -17.960 24.862 -12.217 412 HG22 ILE 52 HG22 ILE 52 -18.840 26.088 -11.305 413 HG23 ILE 52 HG23 ILE 52 -18.426 26.375 -12.995 414 HD11 ILE 52 HD11 ILE 52 -16.219 24.608 -13.758 415 HD12 ILE 52 HD12 ILE 52 -14.493 24.958 -13.675 416 HD13 ILE 52 HD13 ILE 52 -15.346 24.393 -12.239 417 H SER 53 H SER 53 -19.292 28.310 -12.271 418 HA SER 53 HA SER 53 -18.626 29.142 -14.871 419 HB2 SER 53 HB2 SER 53 -20.970 29.616 -15.158 420 HB3 SER 53 HB3 SER 53 -20.831 28.171 -14.158 421 HG SER 53 HG SER 53 -22.355 29.788 -13.395 422 H GLU 54 H GLU 54 -19.402 30.954 -11.943 423 HA GLU 54 HA GLU 54 -19.396 33.507 -13.226 424 HB2 GLU 54 HB2 GLU 54 -19.718 32.470 -10.500 425 HB3 GLU 54 HB3 GLU 54 -18.913 34.031 -10.574 426 HG2 GLU 54 HG2 GLU 54 -20.858 34.735 -12.092 427 HG3 GLU 54 HG3 GLU 54 -21.669 33.297 -11.474 428 H ILE 55 H ILE 55 -17.001 31.520 -11.624 429 HA ILE 55 HA ILE 55 -15.011 33.556 -11.419 430 HB ILE 55 HB ILE 55 -14.715 30.551 -11.362 431 HG12 ILE 55 HG12 ILE 55 -14.476 32.286 -8.948 432 HG13 ILE 55 HG13 ILE 55 -16.090 31.965 -9.574 433 HG21 ILE 55 HG21 ILE 55 -12.524 30.895 -11.436 434 HG22 ILE 55 HG22 ILE 55 -12.756 32.643 -11.458 435 HG23 ILE 55 HG23 ILE 55 -12.654 31.787 -9.920 436 HD11 ILE 55 HD11 ILE 55 -14.984 29.472 -9.536 437 HD12 ILE 55 HD12 ILE 55 -14.258 30.228 -8.117 438 HD13 ILE 55 HD13 ILE 55 -16.014 30.156 -8.279 439 H VAL 56 H VAL 56 -15.841 31.124 -13.815 440 HA VAL 56 HA VAL 56 -13.492 31.452 -15.398 441 HB VAL 56 HB VAL 56 -16.194 30.311 -16.122 442 HG11 VAL 56 HG11 VAL 56 -15.491 30.398 -18.234 443 HG12 VAL 56 HG12 VAL 56 -13.877 30.922 -17.749 444 HG13 VAL 56 HG13 VAL 56 -14.274 29.202 -17.789 445 HG21 VAL 56 HG21 VAL 56 -13.859 28.551 -15.879 446 HG22 VAL 56 HG22 VAL 56 -14.374 29.305 -14.371 447 HG23 VAL 56 HG23 VAL 56 -15.511 28.331 -15.303 448 H LYS 57 H LYS 57 -16.758 32.801 -15.507 449 HA LYS 57 HA LYS 57 -16.338 34.251 -17.932 450 HB2 LYS 57 HB2 LYS 57 -18.492 35.171 -17.583 451 HB3 LYS 57 HB3 LYS 57 -18.574 33.520 -16.982 452 HG2 LYS 57 HG2 LYS 57 -18.332 34.326 -14.697 453 HG3 LYS 57 HG3 LYS 57 -18.216 35.985 -15.288 454 HD2 LYS 57 HD2 LYS 57 -20.455 35.673 -14.566 455 HD3 LYS 57 HD3 LYS 57 -20.487 35.650 -16.331 456 HE2 LYS 57 HE2 LYS 57 -20.141 33.030 -15.841 457 HE3 LYS 57 HE3 LYS 57 -21.025 33.491 -14.387 458 HZ1 LYS 57 HZ1 LYS 57 -21.897 33.668 -17.202 459 HZ2 LYS 57 HZ2 LYS 57 -22.634 34.604 -16.002 460 HZ3 LYS 57 HZ3 LYS 57 -22.671 32.917 -15.900 461 H ASP 58 H ASP 58 -15.624 34.813 -14.611 462 HA ASP 58 HA ASP 58 -15.278 37.682 -14.999 463 HB2 ASP 58 HB2 ASP 58 -15.257 35.853 -12.630 464 HB3 ASP 58 HB3 ASP 58 -14.454 37.416 -12.514 465 H TYR 59 H TYR 59 -13.417 34.757 -14.799 466 HA TYR 59 HA TYR 59 -10.899 36.182 -14.525 467 HB2 TYR 59 HB2 TYR 59 -11.231 34.028 -13.365 468 HB3 TYR 59 HB3 TYR 59 -11.431 33.230 -14.920 469 HD1 TYR 59 HD1 TYR 59 -8.956 35.639 -13.472 470 HD2 TYR 59 HD2 TYR 59 -9.607 31.960 -15.511 471 HE1 TYR 59 HE1 TYR 59 -6.526 35.283 -13.594 472 HE2 TYR 59 HE2 TYR 59 -7.178 31.595 -15.638 473 HH TYR 59 HH TYR 59 -4.959 33.335 -13.824 474 H ASP 60 H ASP 60 -12.770 34.519 -16.978 475 HA ASP 60 HA ASP 60 -10.650 34.939 -18.953 476 HB2 ASP 60 HB2 ASP 60 -13.279 33.465 -19.222 477 HB3 ASP 60 HB3 ASP 60 -11.996 33.517 -20.427 478 H LYS 61 H LYS 61 -12.340 37.094 -17.774 479 HA LYS 61 HA LYS 61 -14.200 37.972 -19.730 480 HB2 LYS 61 HB2 LYS 61 -14.279 40.032 -18.496 481 HB3 LYS 61 HB3 LYS 61 -14.186 38.708 -17.344 482 HG2 LYS 61 HG2 LYS 61 -11.678 39.145 -17.292 483 HG3 LYS 61 HG3 LYS 61 -12.046 40.659 -18.120 484 HD2 LYS 61 HD2 LYS 61 -13.357 41.437 -16.307 485 HD3 LYS 61 HD3 LYS 61 -13.382 39.843 -15.549 486 HE2 LYS 61 HE2 LYS 61 -11.023 39.990 -15.066 487 HE3 LYS 61 HE3 LYS 61 -10.902 41.512 -15.949 488 HZ1 LYS 61 HZ1 LYS 61 -12.883 41.897 -14.079 489 HZ2 LYS 61 HZ2 LYS 61 -11.311 42.520 -14.034 490 HZ3 LYS 61 HZ3 LYS 61 -11.665 41.063 -13.252 491 H ASP 62 H ASP 62 -10.778 38.103 -19.508 492 HA ASP 62 HA ASP 62 -10.485 40.335 -21.327 493 HB2 ASP 62 HB2 ASP 62 -8.138 40.070 -21.045 494 HB3 ASP 62 HB3 ASP 62 -8.856 39.775 -19.464 495 H ASN 63 H ASN 63 -11.503 37.299 -21.782 496 HA ASN 63 HA ASN 63 -10.497 37.246 -24.532 497 HB2 ASN 63 HB2 ASN 63 -10.029 35.218 -22.448 498 HB3 ASN 63 HB3 ASN 63 -10.627 34.575 -23.974 499 HD21 ASN 63 HD21 ASN 63 -9.455 35.285 -25.932 500 HD22 ASN 63 HD22 ASN 63 -7.740 35.473 -25.822 501 H SER 64 H SER 64 -12.464 35.004 -22.597 502 HA SER 64 HA SER 64 -14.974 35.829 -23.504 503 HB2 SER 64 HB2 SER 64 -13.561 34.637 -25.570 504 HB3 SER 64 HB3 SER 64 -14.568 33.326 -24.956 505 HG SER 64 HG SER 64 -16.292 35.074 -25.058 506 H GLY 65 H GLY 65 -16.405 33.511 -23.646 507 HA2 GLY 65 HA2 GLY 65 -16.025 32.458 -20.941 508 HA3 GLY 65 HA3 GLY 65 -17.490 32.334 -21.904 509 H LYS 66 H LYS 66 -14.222 31.517 -22.950 510 HA LYS 66 HA LYS 66 -15.070 28.699 -23.125 511 HB2 LYS 66 HB2 LYS 66 -13.789 30.486 -25.102 512 HB3 LYS 66 HB3 LYS 66 -13.126 28.860 -25.006 513 HG2 LYS 66 HG2 LYS 66 -14.726 28.423 -26.522 514 HG3 LYS 66 HG3 LYS 66 -15.743 28.274 -25.087 515 HD2 LYS 66 HD2 LYS 66 -17.049 29.787 -26.110 516 HD3 LYS 66 HD3 LYS 66 -15.847 30.957 -25.564 517 HE2 LYS 66 HE2 LYS 66 -14.628 30.417 -27.760 518 HE3 LYS 66 HE3 LYS 66 -16.151 29.689 -28.267 519 HZ1 LYS 66 HZ1 LYS 66 -16.205 32.407 -27.173 520 HZ2 LYS 66 HZ2 LYS 66 -17.193 31.698 -28.349 521 HZ3 LYS 66 HZ3 LYS 66 -15.626 32.191 -28.748 522 H PHE 67 H PHE 67 -13.191 27.158 -23.203 523 HA PHE 67 HA PHE 67 -11.004 28.100 -21.469 524 HB2 PHE 67 HB2 PHE 67 -12.933 26.337 -20.688 525 HB3 PHE 67 HB3 PHE 67 -11.696 25.242 -21.295 526 HD1 PHE 67 HD1 PHE 67 -12.290 28.020 -18.919 527 HD2 PHE 67 HD2 PHE 67 -9.797 24.751 -20.023 528 HE1 PHE 67 HE1 PHE 67 -11.057 28.249 -16.803 529 HE2 PHE 67 HE2 PHE 67 -8.561 24.975 -17.908 530 HZ PHE 67 HZ PHE 67 -9.191 26.725 -16.294 531 H ASP 68 H ASP 68 -8.968 27.559 -22.042 532 HA ASP 68 HA ASP 68 -8.661 25.901 -24.457 533 HB2 ASP 68 HB2 ASP 68 -7.962 28.125 -24.953 534 HB3 ASP 68 HB3 ASP 68 -7.054 28.248 -23.449 535 H GLN 69 H GLN 69 -7.289 24.199 -24.439 536 HA GLN 69 HA GLN 69 -6.620 22.902 -22.106 537 HB2 GLN 69 HB2 GLN 69 -5.048 21.561 -23.476 538 HB3 GLN 69 HB3 GLN 69 -6.626 21.749 -24.230 539 HG2 GLN 69 HG2 GLN 69 -5.369 22.201 -26.039 540 HG3 GLN 69 HG3 GLN 69 -5.376 23.823 -25.349 541 HE21 GLN 69 HE21 GLN 69 -3.424 24.331 -26.345 542 HE22 GLN 69 HE22 GLN 69 -1.917 23.696 -25.786 543 H GLU 70 H GLU 70 -4.708 25.219 -23.951 544 HA GLU 70 HA GLU 70 -2.270 24.913 -22.615 545 HB2 GLU 70 HB2 GLU 70 -3.114 26.430 -24.691 546 HB3 GLU 70 HB3 GLU 70 -3.010 27.657 -23.435 547 HG2 GLU 70 HG2 GLU 70 -0.718 27.350 -23.155 548 HG3 GLU 70 HG3 GLU 70 -0.735 25.785 -23.965 549 H THR 71 H THR 71 -5.147 26.746 -21.791 550 HA THR 71 HA THR 71 -4.063 28.316 -19.727 551 HB THR 71 HB THR 71 -6.889 27.284 -20.042 552 HG1 THR 71 HG1 THR 71 -7.166 29.481 -20.863 553 HG21 THR 71 HG21 THR 71 -7.328 29.442 -18.669 554 HG22 THR 71 HG22 THR 71 -5.649 29.264 -18.164 555 HG23 THR 71 HG23 THR 71 -6.813 27.983 -17.824 556 H PHE 72 H PHE 72 -5.732 25.175 -19.614 557 HA PHE 72 HA PHE 72 -5.519 24.843 -16.818 558 HB2 PHE 72 HB2 PHE 72 -7.051 23.593 -18.441 559 HB3 PHE 72 HB3 PHE 72 -5.656 22.586 -18.812 560 HD1 PHE 72 HD1 PHE 72 -7.725 23.770 -15.959 561 HD2 PHE 72 HD2 PHE 72 -5.208 20.716 -17.526 562 HE1 PHE 72 HE1 PHE 72 -8.240 22.352 -14.014 563 HE2 PHE 72 HE2 PHE 72 -5.721 19.293 -15.586 564 HZ PHE 72 HZ PHE 72 -7.239 20.110 -13.826 565 H LEU 73 H LEU 73 -3.476 23.806 -19.510 566 HA LEU 73 HA LEU 73 -1.680 22.251 -17.988 567 HB2 LEU 73 HB2 LEU 73 -2.058 22.667 -20.625 568 HB3 LEU 73 HB3 LEU 73 -0.627 23.660 -20.357 569 HG LEU 73 HG LEU 73 -0.577 20.869 -19.340 570 HD11 LEU 73 HD11 LEU 73 -1.270 20.110 -21.349 571 HD12 LEU 73 HD12 LEU 73 0.397 20.459 -21.802 572 HD13 LEU 73 HD13 LEU 73 -0.879 21.615 -22.180 573 HD21 LEU 73 HD21 LEU 73 1.768 21.273 -20.530 574 HD22 LEU 73 HD22 LEU 73 1.424 21.850 -18.899 575 HD23 LEU 73 HD23 LEU 73 1.313 22.957 -20.268 576 H THR 74 H THR 74 -1.836 25.672 -18.732 577 HA THR 74 HA THR 74 0.781 26.304 -17.789 578 HB THR 74 HB THR 74 -1.627 28.097 -18.166 579 HG1 THR 74 HG1 THR 74 -0.838 28.426 -20.177 580 HG21 THR 74 HG21 THR 74 -0.399 29.594 -17.032 581 HG22 THR 74 HG22 THR 74 0.632 29.638 -18.461 582 HG23 THR 74 HG23 THR 74 1.049 28.591 -17.105 583 H ILE 75 H ILE 75 -2.447 26.338 -16.355 584 HA ILE 75 HA ILE 75 -1.702 27.567 -13.917 585 HB ILE 75 HB ILE 75 -4.024 25.721 -14.492 586 HG12 ILE 75 HG12 ILE 75 -4.252 28.686 -14.190 587 HG13 ILE 75 HG13 ILE 75 -3.665 28.036 -15.716 588 HG21 ILE 75 HG21 ILE 75 -4.075 25.696 -12.225 589 HG22 ILE 75 HG22 ILE 75 -3.176 27.205 -12.078 590 HG23 ILE 75 HG23 ILE 75 -4.893 27.237 -12.474 591 HD11 ILE 75 HD11 ILE 75 -6.332 27.616 -14.416 592 HD12 ILE 75 HD12 ILE 75 -5.973 28.326 -15.988 593 HD13 ILE 75 HD13 ILE 75 -5.749 26.596 -15.730 594 H MET 76 H MET 76 -2.134 24.160 -14.839 595 HA MET 76 HA MET 76 -1.451 23.117 -12.291 596 HB2 MET 76 HB2 MET 76 -1.223 20.958 -13.490 597 HB3 MET 76 HB3 MET 76 -2.735 21.783 -13.845 598 HG2 MET 76 HG2 MET 76 -2.185 21.223 -15.954 599 HG3 MET 76 HG3 MET 76 -1.271 22.727 -15.859 600 HE1 MET 76 HE1 MET 76 -1.551 19.507 -16.824 601 HE2 MET 76 HE2 MET 76 -0.108 19.595 -17.836 602 HE3 MET 76 HE3 MET 76 -0.132 18.540 -16.422 603 H LEU 77 H LEU 77 0.401 24.103 -15.071 604 HA LEU 77 HA LEU 77 2.823 22.790 -14.262 605 HB2 LEU 77 HB2 LEU 77 2.400 23.255 -16.603 606 HB3 LEU 77 HB3 LEU 77 2.312 24.983 -16.268 607 HG LEU 77 HG LEU 77 4.695 24.986 -15.689 608 HD11 LEU 77 HD11 LEU 77 4.308 22.092 -15.854 609 HD12 LEU 77 HD12 LEU 77 5.517 23.032 -14.977 610 HD13 LEU 77 HD13 LEU 77 5.746 22.679 -16.690 611 HD21 LEU 77 HD21 LEU 77 5.384 25.156 -17.847 612 HD22 LEU 77 HD22 LEU 77 3.645 25.064 -18.132 613 HD23 LEU 77 HD23 LEU 77 4.646 23.625 -18.322 614 H GLU 78 H GLU 78 1.437 26.007 -13.927 615 HA GLU 78 HA GLU 78 3.793 27.190 -12.824 616 HB2 GLU 78 HB2 GLU 78 0.990 28.014 -13.294 617 HB3 GLU 78 HB3 GLU 78 1.824 28.837 -11.984 618 HG2 GLU 78 HG2 GLU 78 2.978 28.613 -14.745 619 HG3 GLU 78 HG3 GLU 78 1.917 29.932 -14.255 620 H TYR 79 H TYR 79 1.070 25.444 -11.548 621 HA TYR 79 HA TYR 79 1.455 26.235 -8.824 622 HB2 TYR 79 HB2 TYR 79 -0.247 24.246 -10.255 623 HB3 TYR 79 HB3 TYR 79 0.003 24.032 -8.525 624 HD1 TYR 79 HD1 TYR 79 -0.350 27.197 -10.452 625 HD2 TYR 79 HD2 TYR 79 -2.067 24.564 -7.586 626 HE1 TYR 79 HE1 TYR 79 -2.112 28.851 -9.998 627 HE2 TYR 79 HE2 TYR 79 -3.834 26.210 -7.123 628 HH TYR 79 HH TYR 79 -3.918 28.952 -7.414 629 H GLY 80 H GLY 80 2.591 23.627 -10.869 630 HA2 GLY 80 HA2 GLY 80 4.576 22.418 -10.493 631 HA3 GLY 80 HA3 GLY 80 4.527 22.906 -8.805 632 H GLN 81 H GLN 81 1.568 22.076 -8.868 633 HA GLN 81 HA GLN 81 1.570 19.252 -9.251 634 HB2 GLN 81 HB2 GLN 81 2.902 19.248 -7.235 635 HB3 GLN 81 HB3 GLN 81 1.756 20.308 -6.426 636 HG2 GLN 81 HG2 GLN 81 0.640 18.556 -5.684 637 HG3 GLN 81 HG3 GLN 81 0.344 18.026 -7.339 638 HE21 GLN 81 HE21 GLN 81 2.350 16.963 -8.355 639 HE22 GLN 81 HE22 GLN 81 3.146 15.788 -7.370 640 H GLU 82 H GLU 82 0.027 21.229 -6.730 641 HA GLU 82 HA GLU 82 -2.353 21.770 -8.086 642 HB2 GLU 82 HB2 GLU 82 -2.209 19.085 -7.573 643 HB3 GLU 82 HB3 GLU 82 -3.081 19.669 -6.163 644 HG2 GLU 82 HG2 GLU 82 -4.849 20.495 -7.453 645 HG3 GLU 82 HG3 GLU 82 -3.911 20.417 -8.943 646 H VAL 83 H VAL 83 -0.794 21.031 -5.030 647 HA VAL 83 HA VAL 83 -2.456 23.097 -3.737 648 HB VAL 83 HB VAL 83 -1.835 21.984 -1.576 649 HG11 VAL 83 HG11 VAL 83 -4.016 21.575 -2.304 650 HG12 VAL 83 HG12 VAL 83 -3.477 20.580 -3.658 651 HG13 VAL 83 HG13 VAL 83 -3.361 19.965 -2.009 652 HG21 VAL 83 HG21 VAL 83 -1.004 19.703 -1.623 653 HG22 VAL 83 HG22 VAL 83 -0.909 19.753 -3.384 654 HG23 VAL 83 HG23 VAL 83 0.143 20.783 -2.414 655 H ASP 84 H ASP 84 0.743 22.000 -4.473 656 HA ASP 84 HA ASP 84 2.303 23.348 -2.637 657 HB2 ASP 84 HB2 ASP 84 2.671 22.343 -5.379 658 HB3 ASP 84 HB3 ASP 84 3.768 23.644 -4.923 659 H SER 85 H SER 85 0.507 24.608 -5.345 660 HA SER 85 HA SER 85 0.990 27.312 -4.407 661 HB2 SER 85 HB2 SER 85 2.388 26.248 -6.670 662 HB3 SER 85 HB3 SER 85 1.260 27.484 -7.228 663 HG SER 85 HG SER 85 3.588 27.788 -5.925 Start of MODEL 14 1 H1 MET 1 H1 MET 1 6.459 -0.911 -8.933 2 HA MET 1 HA MET 1 4.404 0.552 -9.830 3 HB2 MET 1 HB2 MET 1 3.334 -1.524 -10.641 4 HB3 MET 1 HB3 MET 1 5.070 -1.507 -10.923 5 HG2 MET 1 HG2 MET 1 5.449 -2.999 -9.094 6 HG3 MET 1 HG3 MET 1 3.759 -2.899 -8.604 7 HE1 MET 1 HE1 MET 1 2.488 -4.855 -8.800 8 HE2 MET 1 HE2 MET 1 2.795 -6.219 -9.875 9 HE3 MET 1 HE3 MET 1 3.984 -5.777 -8.649 10 H SER 2 H SER 2 4.367 0.794 -6.979 11 HA SER 2 HA SER 2 1.783 -0.363 -6.223 12 HB2 SER 2 HB2 SER 2 2.473 0.734 -3.948 13 HB3 SER 2 HB3 SER 2 3.267 -0.751 -4.471 14 HG SER 2 HG SER 2 4.473 1.398 -3.793 15 H GLU 3 H GLU 3 3.350 2.659 -6.944 16 HA GLU 3 HA GLU 3 0.776 4.034 -6.553 17 HB2 GLU 3 HB2 GLU 3 3.041 4.549 -5.097 18 HB3 GLU 3 HB3 GLU 3 3.168 5.728 -6.394 19 HG2 GLU 3 HG2 GLU 3 2.047 6.696 -4.494 20 HG3 GLU 3 HG3 GLU 3 0.930 6.558 -5.850 21 H GLN 4 H GLN 4 0.587 6.044 -7.884 22 HA GLN 4 HA GLN 4 2.186 6.053 -10.319 23 HB2 GLN 4 HB2 GLN 4 -0.821 5.747 -10.342 24 HB3 GLN 4 HB3 GLN 4 0.178 6.043 -11.758 25 HG2 GLN 4 HG2 GLN 4 1.408 3.877 -10.999 26 HG3 GLN 4 HG3 GLN 4 -0.083 3.577 -10.107 27 HE21 GLN 4 HE21 GLN 4 1.086 2.134 -12.362 28 HE22 GLN 4 HE22 GLN 4 -0.114 2.139 -13.605 29 H LYS 5 H LYS 5 2.168 8.016 -11.428 30 HA LYS 5 HA LYS 5 0.955 10.242 -9.932 31 HB2 LYS 5 HB2 LYS 5 3.496 10.083 -10.176 32 HB3 LYS 5 HB3 LYS 5 3.248 10.469 -11.874 33 HG2 LYS 5 HG2 LYS 5 2.849 12.632 -11.455 34 HG3 LYS 5 HG3 LYS 5 1.911 12.285 -10.000 35 HD2 LYS 5 HD2 LYS 5 4.863 11.854 -9.962 36 HD3 LYS 5 HD3 LYS 5 4.235 13.500 -9.847 37 HE2 LYS 5 HE2 LYS 5 3.406 11.222 -8.054 38 HE3 LYS 5 HE3 LYS 5 4.636 12.417 -7.644 39 HZ1 LYS 5 HZ1 LYS 5 1.729 12.736 -7.844 40 HZ2 LYS 5 HZ2 LYS 5 2.708 14.065 -8.214 41 HZ3 LYS 5 HZ3 LYS 5 2.802 13.345 -6.687 42 H LYS 6 H LYS 6 -0.866 10.909 -10.859 43 HA LYS 6 HA LYS 6 -1.022 10.953 -13.798 44 HB2 LYS 6 HB2 LYS 6 -3.521 11.142 -13.368 45 HB3 LYS 6 HB3 LYS 6 -2.773 9.601 -12.967 46 HG2 LYS 6 HG2 LYS 6 -2.858 11.525 -10.759 47 HG3 LYS 6 HG3 LYS 6 -4.437 10.988 -11.339 48 HD2 LYS 6 HD2 LYS 6 -2.207 9.079 -10.668 49 HD3 LYS 6 HD3 LYS 6 -3.398 9.615 -9.480 50 HE2 LYS 6 HE2 LYS 6 -4.965 8.859 -11.600 51 HE3 LYS 6 HE3 LYS 6 -3.651 7.687 -11.662 52 HZ1 LYS 6 HZ1 LYS 6 -5.240 6.745 -10.259 53 HZ2 LYS 6 HZ2 LYS 6 -5.542 8.200 -9.448 54 HZ3 LYS 6 HZ3 LYS 6 -4.085 7.379 -9.196 55 H VAL 7 H VAL 7 0.225 12.980 -12.012 56 HA VAL 7 HA VAL 7 -1.210 15.292 -13.087 57 HB VAL 7 HB VAL 7 -0.989 16.536 -10.979 58 HG11 VAL 7 HG11 VAL 7 -2.932 15.733 -10.036 59 HG12 VAL 7 HG12 VAL 7 -3.000 15.009 -11.644 60 HG13 VAL 7 HG13 VAL 7 -2.474 14.046 -10.264 61 HG21 VAL 7 HG21 VAL 7 0.743 15.624 -9.764 62 HG22 VAL 7 HG22 VAL 7 -0.655 14.967 -8.911 63 HG23 VAL 7 HG23 VAL 7 0.225 13.965 -10.066 64 H LEU 8 H LEU 8 0.090 17.005 -13.635 65 HA LEU 8 HA LEU 8 1.996 18.038 -14.328 66 HB2 LEU 8 HB2 LEU 8 2.108 17.816 -11.610 67 HB3 LEU 8 HB3 LEU 8 3.639 17.091 -12.094 68 HG LEU 8 HG LEU 8 3.892 19.457 -11.553 69 HD11 LEU 8 HD11 LEU 8 5.400 18.527 -13.182 70 HD12 LEU 8 HD12 LEU 8 4.975 20.172 -13.658 71 HD13 LEU 8 HD13 LEU 8 4.230 18.798 -14.475 72 HD21 LEU 8 HD21 LEU 8 2.771 21.186 -12.654 73 HD22 LEU 8 HD22 LEU 8 1.510 19.996 -12.330 74 HD23 LEU 8 HD23 LEU 8 2.208 20.123 -13.945 75 H THR 9 H THR 9 1.570 15.198 -15.035 76 HA THR 9 HA THR 9 4.339 14.600 -15.808 77 HB THR 9 HB THR 9 3.484 12.093 -15.611 78 HG1 THR 9 HG1 THR 9 2.131 11.855 -13.802 79 HG21 THR 9 HG21 THR 9 5.158 12.021 -14.141 80 HG22 THR 9 HG22 THR 9 4.189 12.869 -12.937 81 HG23 THR 9 HG23 THR 9 5.148 13.784 -14.099 82 H ALA 10 H ALA 10 4.354 12.848 -17.563 83 HA ALA 10 HA ALA 10 3.080 13.762 -19.833 84 HB1 ALA 10 HB1 ALA 10 3.471 11.064 -20.335 85 HB2 ALA 10 HB2 ALA 10 4.624 12.367 -20.622 86 HB3 ALA 10 HB3 ALA 10 4.679 11.459 -19.110 87 H GLU 11 H GLU 11 1.974 11.402 -17.477 88 HA GLU 11 HA GLU 11 -0.172 10.328 -18.932 89 HB2 GLU 11 HB2 GLU 11 0.470 10.566 -16.017 90 HB3 GLU 11 HB3 GLU 11 -1.121 10.001 -16.507 91 HG2 GLU 11 HG2 GLU 11 1.132 8.686 -17.850 92 HG3 GLU 11 HG3 GLU 11 1.019 8.404 -16.113 93 H GLU 12 H GLU 12 0.040 13.161 -16.826 94 HA GLU 12 HA GLU 12 -2.734 13.781 -16.928 95 HB2 GLU 12 HB2 GLU 12 -1.458 14.639 -15.100 96 HB3 GLU 12 HB3 GLU 12 -0.306 15.409 -16.182 97 HG2 GLU 12 HG2 GLU 12 -1.574 17.228 -16.440 98 HG3 GLU 12 HG3 GLU 12 -3.065 16.295 -16.559 99 H GLN 13 H GLN 13 0.078 14.775 -18.804 100 HA GLN 13 HA GLN 13 -1.137 16.846 -20.261 101 HB2 GLN 13 HB2 GLN 13 1.297 16.492 -20.176 102 HB3 GLN 13 HB3 GLN 13 1.112 15.010 -21.106 103 HG2 GLN 13 HG2 GLN 13 -0.136 17.216 -22.462 104 HG3 GLN 13 HG3 GLN 13 1.544 17.586 -22.078 105 HE21 GLN 13 HE21 GLN 13 0.265 17.088 -24.658 106 HE22 GLN 13 HE22 GLN 13 1.125 15.769 -25.368 107 H GLN 14 H GLN 14 -0.616 13.432 -21.143 108 HA GLN 14 HA GLN 14 -2.035 13.590 -23.586 109 HB2 GLN 14 HB2 GLN 14 -2.020 11.108 -23.493 110 HB3 GLN 14 HB3 GLN 14 -0.434 11.821 -23.228 111 HG2 GLN 14 HG2 GLN 14 -0.414 10.289 -21.564 112 HG3 GLN 14 HG3 GLN 14 -1.176 11.621 -20.696 113 HE21 GLN 14 HE21 GLN 14 -1.545 9.180 -19.707 114 HE22 GLN 14 HE22 GLN 14 -3.150 8.617 -20.006 115 H GLU 15 H GLU 15 -2.972 12.655 -20.310 116 HA GLU 15 HA GLU 15 -5.520 11.662 -20.854 117 HB2 GLU 15 HB2 GLU 15 -4.209 12.879 -18.467 118 HB3 GLU 15 HB3 GLU 15 -5.955 12.668 -18.439 119 HG2 GLU 15 HG2 GLU 15 -4.620 10.281 -19.362 120 HG3 GLU 15 HG3 GLU 15 -4.030 10.784 -17.779 121 H TYR 16 H TYR 16 -4.493 14.979 -20.111 122 HA TYR 16 HA TYR 16 -7.107 16.086 -20.280 123 HB2 TYR 16 HB2 TYR 16 -5.405 17.242 -19.019 124 HB3 TYR 16 HB3 TYR 16 -4.374 17.369 -20.439 125 HD1 TYR 16 HD1 TYR 16 -8.007 18.089 -19.958 126 HD2 TYR 16 HD2 TYR 16 -4.163 19.616 -20.956 127 HE1 TYR 16 HE1 TYR 16 -9.018 20.267 -20.491 128 HE2 TYR 16 HE2 TYR 16 -5.163 21.798 -21.491 129 HH TYR 16 HH TYR 16 -8.101 22.352 -22.200 130 H LYS 17 H LYS 17 -4.410 15.811 -22.550 131 HA LYS 17 HA LYS 17 -5.377 17.368 -24.628 132 HB2 LYS 17 HB2 LYS 17 -3.678 14.881 -24.624 133 HB3 LYS 17 HB3 LYS 17 -4.058 15.746 -26.107 134 HG2 LYS 17 HG2 LYS 17 -3.106 17.597 -24.146 135 HG3 LYS 17 HG3 LYS 17 -1.975 16.249 -24.292 136 HD2 LYS 17 HD2 LYS 17 -3.068 17.603 -26.733 137 HD3 LYS 17 HD3 LYS 17 -1.701 18.294 -25.855 138 HE2 LYS 17 HE2 LYS 17 -0.989 15.657 -26.085 139 HE3 LYS 17 HE3 LYS 17 -1.828 15.956 -27.606 140 HZ1 LYS 17 HZ1 LYS 17 -0.327 17.627 -28.187 141 HZ2 LYS 17 HZ2 LYS 17 0.652 16.413 -27.532 142 HZ3 LYS 17 HZ3 LYS 17 0.275 17.780 -26.613 143 H GLU 18 H GLU 18 -5.918 13.903 -24.033 144 HA GLU 18 HA GLU 18 -7.645 13.566 -26.272 145 HB2 GLU 18 HB2 GLU 18 -8.108 11.369 -25.359 146 HB3 GLU 18 HB3 GLU 18 -6.385 11.704 -25.247 147 HG2 GLU 18 HG2 GLU 18 -6.587 12.196 -22.898 148 HG3 GLU 18 HG3 GLU 18 -8.339 12.014 -22.980 149 H ALA 19 H ALA 19 -8.114 14.406 -22.908 150 HA ALA 19 HA ALA 19 -10.898 13.979 -22.767 151 HB1 ALA 19 HB1 ALA 19 -9.356 16.041 -21.208 152 HB2 ALA 19 HB2 ALA 19 -10.847 15.222 -20.744 153 HB3 ALA 19 HB3 ALA 19 -9.335 14.319 -20.828 154 H PHE 20 H PHE 20 -8.961 16.759 -23.755 155 HA PHE 20 HA PHE 20 -11.190 18.525 -24.031 156 HB2 PHE 20 HB2 PHE 20 -9.499 19.989 -24.039 157 HB3 PHE 20 HB3 PHE 20 -8.330 18.690 -24.253 158 HD1 PHE 20 HD1 PHE 20 -10.574 21.004 -26.066 159 HD2 PHE 20 HD2 PHE 20 -7.242 18.366 -26.305 160 HE1 PHE 20 HE1 PHE 20 -10.099 21.814 -28.340 161 HE2 PHE 20 HE2 PHE 20 -6.761 19.173 -28.578 162 HZ PHE 20 HZ PHE 20 -8.191 20.898 -29.600 163 H GLN 21 H GLN 21 -9.301 16.526 -26.253 164 HA GLN 21 HA GLN 21 -10.532 17.404 -28.632 165 HB2 GLN 21 HB2 GLN 21 -8.459 16.239 -28.794 166 HB3 GLN 21 HB3 GLN 21 -9.095 14.851 -27.920 167 HG2 GLN 21 HG2 GLN 21 -10.610 14.385 -29.793 168 HG3 GLN 21 HG3 GLN 21 -9.919 15.748 -30.672 169 HE21 GLN 21 HE21 GLN 21 -9.764 13.593 -32.046 170 HE22 GLN 21 HE22 GLN 21 -8.204 12.851 -31.997 171 H LEU 22 H LEU 22 -11.237 14.689 -26.465 172 HA LEU 22 HA LEU 22 -13.328 13.582 -27.995 173 HB2 LEU 22 HB2 LEU 22 -12.340 12.245 -26.315 174 HB3 LEU 22 HB3 LEU 22 -12.650 13.454 -25.070 175 HG LEU 22 HG LEU 22 -15.148 12.647 -26.168 176 HD11 LEU 22 HD11 LEU 22 -15.046 10.245 -25.427 177 HD12 LEU 22 HD12 LEU 22 -13.289 10.391 -25.456 178 HD13 LEU 22 HD13 LEU 22 -14.216 10.611 -26.941 179 HD21 LEU 22 HD21 LEU 22 -14.619 13.543 -23.894 180 HD22 LEU 22 HD22 LEU 22 -13.937 11.966 -23.494 181 HD23 LEU 22 HD23 LEU 22 -15.649 12.110 -23.897 182 H PHE 23 H PHE 23 -13.223 16.177 -25.651 183 HA PHE 23 HA PHE 23 -16.137 16.438 -25.717 184 HB2 PHE 23 HB2 PHE 23 -13.982 17.361 -23.899 185 HB3 PHE 23 HB3 PHE 23 -15.370 18.429 -24.077 186 HD1 PHE 23 HD1 PHE 23 -17.698 17.007 -24.048 187 HD2 PHE 23 HD2 PHE 23 -14.062 15.957 -22.100 188 HE1 PHE 23 HE1 PHE 23 -18.959 15.640 -22.437 189 HE2 PHE 23 HE2 PHE 23 -15.317 14.587 -20.488 190 HZ PHE 23 HZ PHE 23 -17.769 14.427 -20.655 191 H ASP 24 H ASP 24 -14.083 17.169 -27.882 192 HA ASP 24 HA ASP 24 -15.116 19.887 -28.346 193 HB2 ASP 24 HB2 ASP 24 -12.729 19.986 -27.749 194 HB3 ASP 24 HB3 ASP 24 -12.358 18.870 -29.062 195 H LYS 25 H LYS 25 -16.687 18.118 -29.333 196 HA LYS 25 HA LYS 25 -16.003 16.877 -31.763 197 HB2 LYS 25 HB2 LYS 25 -18.622 17.707 -30.538 198 HB3 LYS 25 HB3 LYS 25 -18.554 16.971 -32.135 199 HG2 LYS 25 HG2 LYS 25 -18.009 14.923 -31.323 200 HG3 LYS 25 HG3 LYS 25 -17.144 15.580 -29.931 201 HD2 LYS 25 HD2 LYS 25 -20.114 15.890 -30.144 202 HD3 LYS 25 HD3 LYS 25 -19.418 14.370 -29.576 203 HE2 LYS 25 HE2 LYS 25 -18.030 16.240 -28.129 204 HE3 LYS 25 HE3 LYS 25 -19.636 16.959 -28.236 205 HZ1 LYS 25 HZ1 LYS 25 -19.512 14.132 -27.546 206 HZ2 LYS 25 HZ2 LYS 25 -20.545 15.343 -26.973 207 HZ3 LYS 25 HZ3 LYS 25 -18.972 15.220 -26.368 208 H ASP 26 H ASP 26 -16.857 20.139 -30.983 209 HA ASP 26 HA ASP 26 -17.606 20.927 -33.630 210 HB2 ASP 26 HB2 ASP 26 -16.752 22.583 -31.246 211 HB3 ASP 26 HB3 ASP 26 -17.433 23.233 -32.735 212 H ASN 27 H ASN 27 -14.633 20.394 -32.031 213 HA ASN 27 HA ASN 27 -12.465 20.593 -32.687 214 HB2 ASN 27 HB2 ASN 27 -13.655 19.796 -34.898 215 HB3 ASN 27 HB3 ASN 27 -13.290 21.432 -35.440 216 HD21 ASN 27 HD21 ASN 27 -12.205 19.395 -36.791 217 HD22 ASN 27 HD22 ASN 27 -10.511 19.274 -36.471 218 H ASP 28 H ASP 28 -13.318 22.712 -31.336 219 HA ASP 28 HA ASP 28 -12.533 25.096 -32.860 220 HB2 ASP 28 HB2 ASP 28 -13.611 25.201 -30.065 221 HB3 ASP 28 HB3 ASP 28 -13.743 26.392 -31.354 222 H ASN 29 H ASN 29 -11.140 22.813 -30.966 223 HA ASN 29 HA ASN 29 -9.130 22.666 -29.907 224 HB2 ASN 29 HB2 ASN 29 -8.808 24.748 -31.761 225 HB3 ASN 29 HB3 ASN 29 -8.146 25.365 -30.249 226 HD21 ASN 29 HD21 ASN 29 -6.022 25.268 -30.645 227 HD22 ASN 29 HD22 ASN 29 -5.156 23.822 -31.026 228 H LYS 30 H LYS 30 -11.631 24.190 -28.814 229 HA LYS 30 HA LYS 30 -10.402 24.783 -26.245 230 HB2 LYS 30 HB2 LYS 30 -11.991 26.804 -27.827 231 HB3 LYS 30 HB3 LYS 30 -11.725 26.937 -26.094 232 HG2 LYS 30 HG2 LYS 30 -9.967 28.178 -26.730 233 HG3 LYS 30 HG3 LYS 30 -9.189 26.606 -26.931 234 HD2 LYS 30 HD2 LYS 30 -9.144 26.781 -29.176 235 HD3 LYS 30 HD3 LYS 30 -10.748 27.515 -29.250 236 HE2 LYS 30 HE2 LYS 30 -9.667 29.627 -28.360 237 HE3 LYS 30 HE3 LYS 30 -8.114 28.852 -28.672 238 HZ1 LYS 30 HZ1 LYS 30 -9.550 28.537 -30.988 239 HZ2 LYS 30 HZ2 LYS 30 -8.288 29.633 -30.727 240 HZ3 LYS 30 HZ3 LYS 30 -9.892 30.120 -30.498 241 H LEU 31 H LEU 31 -12.176 25.315 -24.594 242 HA LEU 31 HA LEU 31 -14.597 23.755 -25.207 243 HB2 LEU 31 HB2 LEU 31 -13.033 23.791 -22.631 244 HB3 LEU 31 HB3 LEU 31 -14.574 22.969 -22.871 245 HG LEU 31 HG LEU 31 -12.993 21.265 -23.005 246 HD11 LEU 31 HD11 LEU 31 -12.979 21.789 -25.909 247 HD12 LEU 31 HD12 LEU 31 -14.557 21.758 -25.123 248 HD13 LEU 31 HD13 LEU 31 -13.490 20.359 -25.012 249 HD21 LEU 31 HD21 LEU 31 -11.264 22.571 -25.030 250 HD22 LEU 31 HD22 LEU 31 -10.850 21.432 -23.748 251 HD23 LEU 31 HD23 LEU 31 -11.135 23.129 -23.362 252 H THR 32 H THR 32 -16.521 24.560 -24.506 253 HA THR 32 HA THR 32 -16.554 27.329 -23.692 254 HB THR 32 HB THR 32 -18.881 27.311 -24.102 255 HG1 THR 32 HG1 THR 32 -20.064 25.624 -23.632 256 HG21 THR 32 HG21 THR 32 -18.398 25.277 -26.138 257 HG22 THR 32 HG22 THR 32 -17.099 26.463 -26.024 258 HG23 THR 32 HG23 THR 32 -18.754 26.995 -26.319 259 H ALA 33 H ALA 33 -18.323 27.912 -21.997 260 HA ALA 33 HA ALA 33 -17.445 27.221 -19.483 261 HB1 ALA 33 HB1 ALA 33 -19.846 28.532 -20.568 262 HB2 ALA 33 HB2 ALA 33 -20.011 27.869 -18.941 263 HB3 ALA 33 HB3 ALA 33 -18.746 29.048 -19.288 264 H GLU 34 H GLU 34 -20.101 25.774 -21.334 265 HA GLU 34 HA GLU 34 -20.956 23.999 -19.307 266 HB2 GLU 34 HB2 GLU 34 -21.692 24.617 -21.977 267 HB3 GLU 34 HB3 GLU 34 -21.437 22.880 -21.896 268 HG2 GLU 34 HG2 GLU 34 -22.958 22.840 -19.910 269 HG3 GLU 34 HG3 GLU 34 -23.325 24.531 -20.241 270 H GLU 35 H GLU 35 -18.808 23.540 -22.105 271 HA GLU 35 HA GLU 35 -18.246 20.832 -21.683 272 HB2 GLU 35 HB2 GLU 35 -16.568 22.997 -22.957 273 HB3 GLU 35 HB3 GLU 35 -16.174 21.285 -23.019 274 HG2 GLU 35 HG2 GLU 35 -18.758 22.420 -24.048 275 HG3 GLU 35 HG3 GLU 35 -17.319 22.217 -25.045 276 H LEU 36 H LEU 36 -16.633 23.741 -20.473 277 HA LEU 36 HA LEU 36 -14.487 22.448 -19.195 278 HB2 LEU 36 HB2 LEU 36 -14.296 24.764 -19.554 279 HB3 LEU 36 HB3 LEU 36 -15.840 25.094 -18.770 280 HG LEU 36 HG LEU 36 -14.770 24.385 -16.605 281 HD11 LEU 36 HD11 LEU 36 -12.806 23.354 -16.733 282 HD12 LEU 36 HD12 LEU 36 -12.098 24.918 -17.139 283 HD13 LEU 36 HD13 LEU 36 -12.596 23.815 -18.422 284 HD21 LEU 36 HD21 LEU 36 -15.019 26.661 -16.738 285 HD22 LEU 36 HD22 LEU 36 -14.009 26.798 -18.179 286 HD23 LEU 36 HD23 LEU 36 -13.264 26.533 -16.602 287 H GLY 37 H GLY 37 -17.728 23.313 -18.075 288 HA2 GLY 37 HA2 GLY 37 -17.413 22.705 -15.363 289 HA3 GLY 37 HA3 GLY 37 -18.931 22.633 -16.244 290 H THR 38 H THR 38 -17.903 20.606 -18.116 291 HA THR 38 HA THR 38 -18.640 18.299 -16.610 292 HB THR 38 HB THR 38 -17.539 18.519 -19.417 293 HG1 THR 38 HG1 THR 38 -19.668 19.478 -18.873 294 HG21 THR 38 HG21 THR 38 -18.335 16.208 -17.754 295 HG22 THR 38 HG22 THR 38 -17.195 16.298 -19.094 296 HG23 THR 38 HG23 THR 38 -18.928 16.218 -19.415 297 H VAL 39 H VAL 39 -15.605 19.392 -18.102 298 HA VAL 39 HA VAL 39 -14.094 17.146 -17.198 299 HB VAL 39 HB VAL 39 -13.373 18.406 -19.151 300 HG11 VAL 39 HG11 VAL 39 -14.142 20.618 -18.484 301 HG12 VAL 39 HG12 VAL 39 -12.901 20.685 -17.231 302 HG13 VAL 39 HG13 VAL 39 -12.438 20.659 -18.933 303 HG21 VAL 39 HG21 VAL 39 -11.331 18.799 -16.974 304 HG22 VAL 39 HG22 VAL 39 -11.728 17.222 -17.655 305 HG23 VAL 39 HG23 VAL 39 -11.046 18.480 -18.686 306 H MET 40 H MET 40 -14.783 20.342 -15.930 307 HA MET 40 HA MET 40 -12.806 20.294 -13.880 308 HB2 MET 40 HB2 MET 40 -13.858 22.372 -14.764 309 HB3 MET 40 HB3 MET 40 -15.363 21.903 -13.986 310 HG2 MET 40 HG2 MET 40 -14.585 22.353 -11.885 311 HG3 MET 40 HG3 MET 40 -12.903 22.079 -12.330 312 HE1 MET 40 HE1 MET 40 -11.449 24.888 -13.663 313 HE2 MET 40 HE2 MET 40 -11.535 25.000 -11.906 314 HE3 MET 40 HE3 MET 40 -11.396 23.423 -12.683 315 H ARG 41 H ARG 41 -16.135 19.228 -14.120 316 HA ARG 41 HA ARG 41 -16.771 18.920 -11.434 317 HB2 ARG 41 HB2 ARG 41 -17.663 17.638 -13.965 318 HB3 ARG 41 HB3 ARG 41 -18.096 16.838 -12.460 319 HG2 ARG 41 HG2 ARG 41 -19.434 18.586 -11.760 320 HG3 ARG 41 HG3 ARG 41 -18.633 19.754 -12.812 321 HD2 ARG 41 HD2 ARG 41 -20.088 19.371 -14.450 322 HD3 ARG 41 HD3 ARG 41 -19.805 17.633 -14.363 323 HE ARG 41 HE ARG 41 -22.003 19.088 -13.225 324 HH11 ARG 41 HH11 ARG 41 -20.061 16.207 -13.003 325 HH12 ARG 41 HH12 ARG 41 -21.290 15.284 -12.202 326 HH21 ARG 41 HH21 ARG 41 -23.628 17.884 -12.170 327 HH22 ARG 41 HH22 ARG 41 -23.317 16.238 -11.729 328 H ALA 42 H ALA 42 -14.894 16.845 -13.566 329 HA ALA 42 HA ALA 42 -14.737 14.581 -11.916 330 HB1 ALA 42 HB1 ALA 42 -12.707 14.024 -13.223 331 HB2 ALA 42 HB2 ALA 42 -14.088 14.462 -14.229 332 HB3 ALA 42 HB3 ALA 42 -12.787 15.623 -13.964 333 H LEU 43 H LEU 43 -13.233 17.667 -11.683 334 HA LEU 43 HA LEU 43 -11.133 16.731 -9.903 335 HB2 LEU 43 HB2 LEU 43 -11.857 19.372 -11.108 336 HB3 LEU 43 HB3 LEU 43 -10.747 19.290 -9.741 337 HG LEU 43 HG LEU 43 -9.509 19.451 -11.809 338 HD11 LEU 43 HD11 LEU 43 -8.852 16.689 -11.430 339 HD12 LEU 43 HD12 LEU 43 -9.187 17.446 -9.874 340 HD13 LEU 43 HD13 LEU 43 -7.958 18.127 -10.939 341 HD21 LEU 43 HD21 LEU 43 -9.928 18.279 -13.686 342 HD22 LEU 43 HD22 LEU 43 -11.525 18.075 -12.964 343 HD23 LEU 43 HD23 LEU 43 -10.317 16.801 -12.804 344 H GLY 44 H GLY 44 -14.295 18.128 -9.745 345 HA2 GLY 44 HA2 GLY 44 -14.195 17.946 -6.829 346 HA3 GLY 44 HA3 GLY 44 -14.607 19.509 -7.517 347 H ALA 45 H ALA 45 -16.473 19.529 -9.042 348 HA ALA 45 HA ALA 45 -18.678 19.165 -9.475 349 HB1 ALA 45 HB1 ALA 45 -18.490 17.152 -10.475 350 HB2 ALA 45 HB2 ALA 45 -17.567 16.453 -9.144 351 HB3 ALA 45 HB3 ALA 45 -19.321 16.593 -9.023 352 H ASN 46 H ASN 46 -17.641 19.716 -6.687 353 HA ASN 46 HA ASN 46 -19.391 18.442 -4.847 354 HB2 ASN 46 HB2 ASN 46 -17.324 20.490 -4.769 355 HB3 ASN 46 HB3 ASN 46 -18.672 20.875 -3.703 356 HD21 ASN 46 HD21 ASN 46 -19.294 19.275 -2.126 357 HD22 ASN 46 HD22 ASN 46 -18.102 18.199 -1.489 358 HA PRO 47 HA PRO 47 -21.945 22.533 -5.044 359 HB2 PRO 47 HB2 PRO 47 -21.294 24.326 -6.975 360 HB3 PRO 47 HB3 PRO 47 -20.562 24.340 -5.366 361 HG2 PRO 47 HG2 PRO 47 -19.487 23.225 -7.928 362 HG3 PRO 47 HG3 PRO 47 -18.650 24.167 -6.681 363 HD2 PRO 47 HD2 PRO 47 -18.429 21.474 -6.865 364 HD3 PRO 47 HD3 PRO 47 -18.359 22.334 -5.313 365 H THR 48 H THR 48 -23.285 23.756 -6.959 366 HA THR 48 HA THR 48 -24.271 21.560 -8.612 367 HB THR 48 HB THR 48 -25.625 24.216 -8.582 368 HG1 THR 48 HG1 THR 48 -26.453 23.888 -6.565 369 HG21 THR 48 HG21 THR 48 -27.607 22.574 -8.359 370 HG22 THR 48 HG22 THR 48 -26.423 21.328 -8.754 371 HG23 THR 48 HG23 THR 48 -26.738 22.639 -9.892 372 H LYS 49 H LYS 49 -24.980 22.065 -10.847 373 HA LYS 49 HA LYS 49 -22.863 22.992 -12.413 374 HB2 LYS 49 HB2 LYS 49 -25.333 21.740 -12.854 375 HB3 LYS 49 HB3 LYS 49 -25.390 23.221 -13.802 376 HG2 LYS 49 HG2 LYS 49 -23.607 22.590 -15.136 377 HG3 LYS 49 HG3 LYS 49 -23.009 21.421 -13.956 378 HD2 LYS 49 HD2 LYS 49 -24.183 19.792 -14.910 379 HD3 LYS 49 HD3 LYS 49 -25.674 20.720 -14.744 380 HE2 LYS 49 HE2 LYS 49 -23.676 21.063 -16.977 381 HE3 LYS 49 HE3 LYS 49 -25.145 20.093 -17.088 382 HZ1 LYS 49 HZ1 LYS 49 -25.867 22.613 -16.139 383 HZ2 LYS 49 HZ2 LYS 49 -26.241 21.919 -17.637 384 HZ3 LYS 49 HZ3 LYS 49 -24.847 22.860 -17.466 385 H GLN 50 H GLN 50 -25.731 24.634 -11.216 386 HA GLN 50 HA GLN 50 -25.431 26.981 -12.787 387 HB2 GLN 50 HB2 GLN 50 -27.542 26.255 -11.639 388 HB3 GLN 50 HB3 GLN 50 -26.810 26.728 -10.111 389 HG2 GLN 50 HG2 GLN 50 -26.559 29.031 -11.030 390 HG3 GLN 50 HG3 GLN 50 -27.485 28.510 -12.436 391 HE21 GLN 50 HE21 GLN 50 -28.149 30.574 -10.547 392 HE22 GLN 50 HE22 GLN 50 -29.650 30.125 -9.820 393 H LYS 51 H LYS 51 -24.226 25.974 -9.645 394 HA LYS 51 HA LYS 51 -23.235 28.516 -8.852 395 HB2 LYS 51 HB2 LYS 51 -22.159 25.851 -7.941 396 HB3 LYS 51 HB3 LYS 51 -22.165 27.374 -7.061 397 HG2 LYS 51 HG2 LYS 51 -24.566 25.688 -7.741 398 HG3 LYS 51 HG3 LYS 51 -23.825 25.882 -6.150 399 HD2 LYS 51 HD2 LYS 51 -24.275 28.426 -6.590 400 HD3 LYS 51 HD3 LYS 51 -25.473 27.808 -7.729 401 HE2 LYS 51 HE2 LYS 51 -26.865 27.638 -5.998 402 HE3 LYS 51 HE3 LYS 51 -25.868 26.294 -5.441 403 HZ1 LYS 51 HZ1 LYS 51 -26.020 29.026 -4.453 404 HZ2 LYS 51 HZ2 LYS 51 -24.478 28.329 -4.482 405 HZ3 LYS 51 HZ3 LYS 51 -25.726 27.586 -3.616 406 H ILE 52 H ILE 52 -21.747 25.703 -10.417 407 HA ILE 52 HA ILE 52 -19.140 26.837 -10.544 408 HB ILE 52 HB ILE 52 -19.462 24.423 -10.658 409 HG12 ILE 52 HG12 ILE 52 -18.296 25.564 -13.207 410 HG13 ILE 52 HG13 ILE 52 -17.448 25.394 -11.674 411 HG21 ILE 52 HG21 ILE 52 -20.727 24.919 -13.350 412 HG22 ILE 52 HG22 ILE 52 -20.410 23.348 -12.617 413 HG23 ILE 52 HG23 ILE 52 -21.589 24.439 -11.888 414 HD11 ILE 52 HD11 ILE 52 -17.604 22.989 -11.821 415 HD12 ILE 52 HD12 ILE 52 -18.544 23.118 -13.308 416 HD13 ILE 52 HD13 ILE 52 -16.860 23.642 -13.280 417 H SER 53 H SER 53 -21.912 26.795 -12.704 418 HA SER 53 HA SER 53 -20.630 27.761 -15.014 419 HB2 SER 53 HB2 SER 53 -22.859 28.309 -15.819 420 HB3 SER 53 HB3 SER 53 -22.905 26.756 -14.986 421 HG SER 53 HG SER 53 -24.539 28.571 -14.508 422 H GLU 54 H GLU 54 -22.017 29.390 -12.224 423 HA GLU 54 HA GLU 54 -21.828 32.019 -13.324 424 HB2 GLU 54 HB2 GLU 54 -22.819 30.808 -10.921 425 HB3 GLU 54 HB3 GLU 54 -21.776 32.158 -10.495 426 HG2 GLU 54 HG2 GLU 54 -23.585 32.826 -12.655 427 HG3 GLU 54 HG3 GLU 54 -24.440 32.286 -11.211 428 H ILE 55 H ILE 55 -19.730 29.963 -11.409 429 HA ILE 55 HA ILE 55 -17.847 32.010 -10.753 430 HB ILE 55 HB ILE 55 -17.509 29.009 -10.754 431 HG12 ILE 55 HG12 ILE 55 -17.884 30.744 -8.330 432 HG13 ILE 55 HG13 ILE 55 -19.279 30.175 -9.241 433 HG21 ILE 55 HG21 ILE 55 -15.339 29.525 -10.548 434 HG22 ILE 55 HG22 ILE 55 -15.677 31.216 -10.179 435 HG23 ILE 55 HG23 ILE 55 -15.767 30.000 -8.904 436 HD11 ILE 55 HD11 ILE 55 -18.940 28.672 -7.446 437 HD12 ILE 55 HD12 ILE 55 -18.416 27.847 -8.913 438 HD13 ILE 55 HD13 ILE 55 -17.220 28.525 -7.807 439 H VAL 56 H VAL 56 -18.206 29.698 -13.365 440 HA VAL 56 HA VAL 56 -15.600 30.057 -14.462 441 HB VAL 56 HB VAL 56 -18.124 29.037 -15.774 442 HG11 VAL 56 HG11 VAL 56 -15.253 29.007 -16.677 443 HG12 VAL 56 HG12 VAL 56 -16.505 27.976 -17.372 444 HG13 VAL 56 HG13 VAL 56 -16.637 29.731 -17.495 445 HG21 VAL 56 HG21 VAL 56 -17.644 26.962 -14.999 446 HG22 VAL 56 HG22 VAL 56 -15.902 27.232 -15.038 447 HG23 VAL 56 HG23 VAL 56 -16.865 27.880 -13.711 448 H LYS 57 H LYS 57 -18.714 31.610 -14.937 449 HA LYS 57 HA LYS 57 -17.937 33.093 -17.252 450 HB2 LYS 57 HB2 LYS 57 -20.315 32.691 -15.720 451 HB3 LYS 57 HB3 LYS 57 -20.047 34.421 -15.886 452 HG2 LYS 57 HG2 LYS 57 -21.406 33.773 -17.699 453 HG3 LYS 57 HG3 LYS 57 -19.789 34.033 -18.358 454 HD2 LYS 57 HD2 LYS 57 -19.864 31.343 -17.585 455 HD3 LYS 57 HD3 LYS 57 -21.414 31.652 -18.371 456 HE2 LYS 57 HE2 LYS 57 -18.817 32.525 -19.601 457 HE3 LYS 57 HE3 LYS 57 -19.449 30.896 -19.835 458 HZ1 LYS 57 HZ1 LYS 57 -20.358 33.408 -20.949 459 HZ2 LYS 57 HZ2 LYS 57 -21.592 32.383 -20.416 460 HZ3 LYS 57 HZ3 LYS 57 -20.482 31.839 -21.570 461 H ASP 58 H ASP 58 -17.707 33.577 -13.815 462 HA ASP 58 HA ASP 58 -16.977 36.381 -14.119 463 HB2 ASP 58 HB2 ASP 58 -17.499 34.581 -11.775 464 HB3 ASP 58 HB3 ASP 58 -16.633 36.098 -11.547 465 H TYR 59 H TYR 59 -15.496 33.283 -13.746 466 HA TYR 59 HA TYR 59 -12.943 34.342 -12.895 467 HB2 TYR 59 HB2 TYR 59 -13.790 32.089 -12.194 468 HB3 TYR 59 HB3 TYR 59 -13.594 31.551 -13.858 469 HD1 TYR 59 HD1 TYR 59 -11.419 33.600 -11.612 470 HD2 TYR 59 HD2 TYR 59 -11.822 30.072 -13.956 471 HE1 TYR 59 HE1 TYR 59 -9.074 33.029 -11.144 472 HE2 TYR 59 HE2 TYR 59 -9.477 29.490 -13.495 473 HH TYR 59 HH TYR 59 -7.283 31.107 -12.799 474 H ASP 60 H ASP 60 -14.532 33.505 -15.859 475 HA ASP 60 HA ASP 60 -12.022 33.949 -17.336 476 HB2 ASP 60 HB2 ASP 60 -14.522 32.560 -18.320 477 HB3 ASP 60 HB3 ASP 60 -12.985 32.688 -19.172 478 H LYS 61 H LYS 61 -13.916 35.963 -16.248 479 HA LYS 61 HA LYS 61 -15.332 37.073 -18.477 480 HB2 LYS 61 HB2 LYS 61 -15.847 38.916 -17.006 481 HB3 LYS 61 HB3 LYS 61 -16.024 37.410 -16.114 482 HG2 LYS 61 HG2 LYS 61 -13.622 37.844 -15.312 483 HG3 LYS 61 HG3 LYS 61 -13.888 39.493 -15.882 484 HD2 LYS 61 HD2 LYS 61 -15.684 39.822 -14.372 485 HD3 LYS 61 HD3 LYS 61 -15.768 38.102 -13.986 486 HE2 LYS 61 HE2 LYS 61 -13.529 38.253 -12.963 487 HE3 LYS 61 HE3 LYS 61 -13.510 39.983 -13.301 488 HZ1 LYS 61 HZ1 LYS 61 -14.338 40.098 -11.230 489 HZ2 LYS 61 HZ2 LYS 61 -14.933 38.514 -11.244 490 HZ3 LYS 61 HZ3 LYS 61 -15.812 39.754 -11.985 491 H ASP 62 H ASP 62 -12.097 37.025 -17.595 492 HA ASP 62 HA ASP 62 -11.376 39.640 -18.556 493 HB2 ASP 62 HB2 ASP 62 -9.102 38.975 -18.165 494 HB3 ASP 62 HB3 ASP 62 -10.073 38.375 -16.823 495 H ASN 63 H ASN 63 -12.208 36.733 -20.024 496 HA ASN 63 HA ASN 63 -11.131 37.680 -22.578 497 HB2 ASN 63 HB2 ASN 63 -9.547 35.994 -21.866 498 HB3 ASN 63 HB3 ASN 63 -10.851 34.863 -21.513 499 HD21 ASN 63 HD21 ASN 63 -11.049 33.343 -22.972 500 HD22 ASN 63 HD22 ASN 63 -10.745 33.502 -24.666 501 H SER 64 H SER 64 -12.893 34.790 -21.465 502 HA SER 64 HA SER 64 -15.430 35.571 -22.338 503 HB2 SER 64 HB2 SER 64 -13.831 35.152 -24.524 504 HB3 SER 64 HB3 SER 64 -14.582 33.570 -24.321 505 HG SER 64 HG SER 64 -15.788 36.061 -24.829 506 H GLY 65 H GLY 65 -16.578 33.235 -23.158 507 HA2 GLY 65 HA2 GLY 65 -16.262 31.595 -20.760 508 HA3 GLY 65 HA3 GLY 65 -17.611 31.541 -21.885 509 H LYS 66 H LYS 66 -14.194 31.386 -22.735 510 HA LYS 66 HA LYS 66 -14.623 28.610 -23.629 511 HB2 LYS 66 HB2 LYS 66 -12.965 30.785 -24.917 512 HB3 LYS 66 HB3 LYS 66 -12.944 29.099 -25.416 513 HG2 LYS 66 HG2 LYS 66 -15.429 30.792 -25.396 514 HG3 LYS 66 HG3 LYS 66 -14.378 30.607 -26.801 515 HD2 LYS 66 HD2 LYS 66 -14.894 28.344 -27.041 516 HD3 LYS 66 HD3 LYS 66 -15.492 28.210 -25.386 517 HE2 LYS 66 HE2 LYS 66 -17.555 28.867 -25.962 518 HE3 LYS 66 HE3 LYS 66 -16.952 30.158 -26.999 519 HZ1 LYS 66 HZ1 LYS 66 -16.674 27.396 -27.931 520 HZ2 LYS 66 HZ2 LYS 66 -16.927 28.814 -28.818 521 HZ3 LYS 66 HZ3 LYS 66 -18.212 28.100 -27.984 522 H PHE 67 H PHE 67 -12.570 27.348 -23.830 523 HA PHE 67 HA PHE 67 -10.517 28.192 -21.912 524 HB2 PHE 67 HB2 PHE 67 -12.438 26.152 -21.443 525 HB3 PHE 67 HB3 PHE 67 -10.881 25.366 -21.678 526 HD1 PHE 67 HD1 PHE 67 -12.636 27.951 -19.698 527 HD2 PHE 67 HD2 PHE 67 -9.247 25.395 -19.999 528 HE1 PHE 67 HE1 PHE 67 -12.011 28.514 -17.385 529 HE2 PHE 67 HE2 PHE 67 -8.616 25.952 -17.688 530 HZ PHE 67 HZ PHE 67 -9.998 27.514 -16.378 531 H ASP 68 H ASP 68 -8.474 27.721 -22.504 532 HA ASP 68 HA ASP 68 -8.129 26.141 -24.967 533 HB2 ASP 68 HB2 ASP 68 -7.412 28.312 -25.482 534 HB3 ASP 68 HB3 ASP 68 -6.680 28.546 -23.898 535 H GLN 69 H GLN 69 -6.703 24.477 -25.011 536 HA GLN 69 HA GLN 69 -6.048 23.070 -22.753 537 HB2 GLN 69 HB2 GLN 69 -4.416 23.101 -25.297 538 HB3 GLN 69 HB3 GLN 69 -4.487 21.803 -24.112 539 HG2 GLN 69 HG2 GLN 69 -6.344 20.952 -24.992 540 HG3 GLN 69 HG3 GLN 69 -7.103 22.536 -25.149 541 HE21 GLN 69 HE21 GLN 69 -7.191 23.476 -27.097 542 HE22 GLN 69 HE22 GLN 69 -6.477 22.838 -28.535 543 H GLU 70 H GLU 70 -3.979 25.374 -24.497 544 HA GLU 70 HA GLU 70 -1.670 25.123 -22.992 545 HB2 GLU 70 HB2 GLU 70 -2.411 26.683 -25.072 546 HB3 GLU 70 HB3 GLU 70 -2.402 27.878 -23.782 547 HG2 GLU 70 HG2 GLU 70 -0.070 27.051 -23.231 548 HG3 GLU 70 HG3 GLU 70 -0.126 26.191 -24.768 549 H THR 71 H THR 71 -4.570 27.018 -22.334 550 HA THR 71 HA THR 71 -3.586 28.442 -20.112 551 HB THR 71 HB THR 71 -6.430 27.626 -20.740 552 HG1 THR 71 HG1 THR 71 -5.391 28.978 -22.318 553 HG21 THR 71 HG21 THR 71 -5.230 29.270 -18.583 554 HG22 THR 71 HG22 THR 71 -6.695 28.290 -18.577 555 HG23 THR 71 HG23 THR 71 -6.703 29.882 -19.334 556 H PHE 72 H PHE 72 -5.306 25.351 -20.364 557 HA PHE 72 HA PHE 72 -5.495 24.902 -17.573 558 HB2 PHE 72 HB2 PHE 72 -6.346 23.601 -19.934 559 HB3 PHE 72 HB3 PHE 72 -5.393 22.429 -19.030 560 HD1 PHE 72 HD1 PHE 72 -5.953 22.541 -16.375 561 HD2 PHE 72 HD2 PHE 72 -8.595 23.558 -19.553 562 HE1 PHE 72 HE1 PHE 72 -7.880 22.109 -14.907 563 HE2 PHE 72 HE2 PHE 72 -10.527 23.129 -18.089 564 HZ PHE 72 HZ PHE 72 -10.170 22.403 -15.763 565 H LEU 73 H LEU 73 -3.132 23.961 -20.023 566 HA LEU 73 HA LEU 73 -1.588 22.279 -18.353 567 HB2 LEU 73 HB2 LEU 73 -1.221 23.609 -20.979 568 HB3 LEU 73 HB3 LEU 73 0.227 23.050 -20.144 569 HG LEU 73 HG LEU 73 -1.498 20.875 -20.053 570 HD11 LEU 73 HD11 LEU 73 -3.031 21.412 -21.643 571 HD12 LEU 73 HD12 LEU 73 -1.778 20.740 -22.687 572 HD13 LEU 73 HD13 LEU 73 -1.928 22.488 -22.504 573 HD21 LEU 73 HD21 LEU 73 1.034 21.159 -20.527 574 HD22 LEU 73 HD22 LEU 73 0.537 21.218 -22.218 575 HD23 LEU 73 HD23 LEU 73 0.170 19.797 -21.241 576 H THR 74 H THR 74 -1.539 25.728 -19.004 577 HA THR 74 HA THR 74 0.941 26.246 -17.698 578 HB THR 74 HB THR 74 -0.086 28.651 -17.595 579 HG1 THR 74 HG1 THR 74 -1.935 28.927 -18.644 580 HG21 THR 74 HG21 THR 74 0.100 28.200 -20.402 581 HG22 THR 74 HG22 THR 74 1.268 27.157 -19.593 582 HG23 THR 74 HG23 THR 74 1.304 28.898 -19.317 583 H ILE 75 H ILE 75 -2.443 26.314 -16.693 584 HA ILE 75 HA ILE 75 -1.989 27.447 -14.136 585 HB ILE 75 HB ILE 75 -4.269 25.718 -15.098 586 HG12 ILE 75 HG12 ILE 75 -4.451 28.666 -14.643 587 HG13 ILE 75 HG13 ILE 75 -3.679 28.087 -16.115 588 HG21 ILE 75 HG21 ILE 75 -3.861 27.271 -12.563 589 HG22 ILE 75 HG22 ILE 75 -5.470 26.880 -13.168 590 HG23 ILE 75 HG23 ILE 75 -4.344 25.586 -12.760 591 HD11 ILE 75 HD11 ILE 75 -6.482 27.470 -15.214 592 HD12 ILE 75 HD12 ILE 75 -6.012 28.575 -16.506 593 HD13 ILE 75 HD13 ILE 75 -5.714 26.845 -16.674 594 H MET 76 H MET 76 -2.412 24.090 -15.228 595 HA MET 76 HA MET 76 -2.095 22.941 -12.656 596 HB2 MET 76 HB2 MET 76 -1.803 20.815 -13.882 597 HB3 MET 76 HB3 MET 76 -3.211 21.718 -14.428 598 HG2 MET 76 HG2 MET 76 -2.371 21.158 -16.446 599 HG3 MET 76 HG3 MET 76 -1.455 22.641 -16.188 600 HE1 MET 76 HE1 MET 76 -1.612 19.420 -17.266 601 HE2 MET 76 HE2 MET 76 -0.140 19.779 -18.168 602 HE3 MET 76 HE3 MET 76 -0.130 18.526 -16.926 603 H LEU 77 H LEU 77 0.130 23.985 -15.112 604 HA LEU 77 HA LEU 77 2.386 22.541 -14.075 605 HB2 LEU 77 HB2 LEU 77 2.354 23.093 -16.404 606 HB3 LEU 77 HB3 LEU 77 2.143 24.805 -16.045 607 HG LEU 77 HG LEU 77 4.601 23.501 -15.019 608 HD11 LEU 77 HD11 LEU 77 3.910 23.735 -17.893 609 HD12 LEU 77 HD12 LEU 77 4.935 22.566 -17.064 610 HD13 LEU 77 HD13 LEU 77 5.541 24.188 -17.398 611 HD21 LEU 77 HD21 LEU 77 3.717 26.178 -15.990 612 HD22 LEU 77 HD22 LEU 77 5.431 25.767 -16.040 613 HD23 LEU 77 HD23 LEU 77 4.563 25.738 -14.504 614 H GLU 78 H GLU 78 1.079 25.797 -13.763 615 HA GLU 78 HA GLU 78 3.305 26.824 -12.294 616 HB2 GLU 78 HB2 GLU 78 1.577 28.155 -13.634 617 HB3 GLU 78 HB3 GLU 78 0.508 27.942 -12.255 618 HG2 GLU 78 HG2 GLU 78 1.403 29.955 -11.723 619 HG3 GLU 78 HG3 GLU 78 2.585 28.905 -10.945 620 H TYR 79 H TYR 79 0.360 25.153 -11.486 621 HA TYR 79 HA TYR 79 0.628 25.725 -8.650 622 HB2 TYR 79 HB2 TYR 79 -1.565 25.348 -10.142 623 HB3 TYR 79 HB3 TYR 79 -1.305 23.686 -9.624 624 HD1 TYR 79 HD1 TYR 79 -1.818 27.144 -8.380 625 HD2 TYR 79 HD2 TYR 79 -1.900 22.992 -7.451 626 HE1 TYR 79 HE1 TYR 79 -2.906 27.652 -6.234 627 HE2 TYR 79 HE2 TYR 79 -2.989 23.488 -5.303 628 HH TYR 79 HH TYR 79 -3.032 26.410 -3.896 629 H GLY 80 H GLY 80 1.317 23.172 -10.921 630 HA2 GLY 80 HA2 GLY 80 2.907 21.474 -10.553 631 HA3 GLY 80 HA3 GLY 80 2.761 21.743 -8.823 632 H GLN 81 H GLN 81 -0.276 21.685 -9.280 633 HA GLN 81 HA GLN 81 -1.008 19.129 -10.174 634 HB2 GLN 81 HB2 GLN 81 -1.513 18.153 -7.870 635 HB3 GLN 81 HB3 GLN 81 0.165 18.134 -8.393 636 HG2 GLN 81 HG2 GLN 81 -0.577 20.533 -6.904 637 HG3 GLN 81 HG3 GLN 81 -0.738 19.038 -5.984 638 HE21 GLN 81 HE21 GLN 81 1.340 21.451 -6.897 639 HE22 GLN 81 HE22 GLN 81 2.840 20.673 -6.540 640 H GLU 82 H GLU 82 -2.759 20.219 -11.013 641 HA GLU 82 HA GLU 82 -4.389 22.060 -9.760 642 HB2 GLU 82 HB2 GLU 82 -4.403 21.244 -12.202 643 HB3 GLU 82 HB3 GLU 82 -5.489 19.982 -11.637 644 HG2 GLU 82 HG2 GLU 82 -7.096 21.442 -12.151 645 HG3 GLU 82 HG3 GLU 82 -6.681 22.183 -10.607 646 H VAL 83 H VAL 83 -4.356 18.577 -9.462 647 HA VAL 83 HA VAL 83 -6.863 18.236 -8.223 648 HB VAL 83 HB VAL 83 -6.009 16.090 -7.425 649 HG11 VAL 83 HG11 VAL 83 -4.991 15.377 -9.772 650 HG12 VAL 83 HG12 VAL 83 -6.700 15.763 -9.570 651 HG13 VAL 83 HG13 VAL 83 -5.595 16.971 -10.227 652 HG21 VAL 83 HG21 VAL 83 -3.360 17.259 -8.210 653 HG22 VAL 83 HG22 VAL 83 -3.833 16.510 -6.685 654 HG23 VAL 83 HG23 VAL 83 -3.607 15.516 -8.124 655 H ASP 84 H ASP 84 -7.056 17.399 -5.913 656 HA ASP 84 HA ASP 84 -7.002 17.821 -3.679 657 HB2 ASP 84 HB2 ASP 84 -4.358 17.445 -4.438 658 HB3 ASP 84 HB3 ASP 84 -4.318 18.948 -3.521 659 H SER 85 H SER 85 -6.616 19.602 -2.021 660 HA SER 85 HA SER 85 -6.462 22.283 -3.116 661 HB2 SER 85 HB2 SER 85 -8.938 21.496 -1.578 662 HB3 SER 85 HB3 SER 85 -8.631 23.002 -2.444 663 HG SER 85 HG SER 85 -9.814 20.859 -3.370 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -9.104 7.774 -0.811 2 HA MET 1 HA MET 1 -10.036 9.185 -2.362 3 HB2 MET 1 HB2 MET 1 -11.550 9.186 0.090 4 HB3 MET 1 HB3 MET 1 -11.731 10.731 -0.731 5 HG2 MET 1 HG2 MET 1 -12.538 9.666 -2.707 6 HG3 MET 1 HG3 MET 1 -12.162 8.071 -2.061 7 HE1 MET 1 HE1 MET 1 -15.489 10.873 -0.610 8 HE2 MET 1 HE2 MET 1 -13.975 10.900 0.294 9 HE3 MET 1 HE3 MET 1 -13.987 11.324 -1.418 10 H SER 2 H SER 2 -9.759 11.126 -3.361 11 HA SER 2 HA SER 2 -8.968 13.467 -1.842 12 HB2 SER 2 HB2 SER 2 -7.093 12.973 -4.049 13 HB3 SER 2 HB3 SER 2 -6.782 13.555 -2.413 14 HG SER 2 HG SER 2 -6.552 11.531 -1.715 15 H GLU 3 H GLU 3 -8.515 15.341 -3.416 16 HA GLU 3 HA GLU 3 -9.713 15.170 -6.016 17 HB2 GLU 3 HB2 GLU 3 -11.477 16.922 -5.444 18 HB3 GLU 3 HB3 GLU 3 -11.790 15.276 -4.911 19 HG2 GLU 3 HG2 GLU 3 -10.364 16.813 -2.913 20 HG3 GLU 3 HG3 GLU 3 -11.895 17.559 -3.366 21 H GLN 4 H GLN 4 -7.250 15.907 -5.663 22 HA GLN 4 HA GLN 4 -7.269 18.754 -6.258 23 HB2 GLN 4 HB2 GLN 4 -5.545 17.558 -4.081 24 HB3 GLN 4 HB3 GLN 4 -5.345 19.177 -4.738 25 HG2 GLN 4 HG2 GLN 4 -7.785 18.153 -3.306 26 HG3 GLN 4 HG3 GLN 4 -6.545 19.199 -2.619 27 HE21 GLN 4 HE21 GLN 4 -9.179 19.940 -2.606 28 HE22 GLN 4 HE22 GLN 4 -9.415 21.270 -3.683 29 H LYS 5 H LYS 5 -5.513 19.441 -7.511 30 HA LYS 5 HA LYS 5 -4.009 17.242 -8.750 31 HB2 LYS 5 HB2 LYS 5 -5.351 18.468 -10.330 32 HB3 LYS 5 HB3 LYS 5 -4.712 20.003 -9.755 33 HG2 LYS 5 HG2 LYS 5 -2.540 18.347 -10.575 34 HG3 LYS 5 HG3 LYS 5 -3.755 18.389 -11.855 35 HD2 LYS 5 HD2 LYS 5 -2.556 20.805 -10.501 36 HD3 LYS 5 HD3 LYS 5 -2.093 20.189 -12.089 37 HE2 LYS 5 HE2 LYS 5 -4.760 21.322 -11.262 38 HE3 LYS 5 HE3 LYS 5 -3.611 22.012 -12.408 39 HZ1 LYS 5 HZ1 LYS 5 -3.968 19.906 -13.736 40 HZ2 LYS 5 HZ2 LYS 5 -5.259 20.998 -13.700 41 HZ3 LYS 5 HZ3 LYS 5 -5.301 19.606 -12.740 42 H LYS 6 H LYS 6 -2.058 16.995 -7.878 43 HA LYS 6 HA LYS 6 -0.365 19.373 -7.575 44 HB2 LYS 6 HB2 LYS 6 0.601 18.296 -5.499 45 HB3 LYS 6 HB3 LYS 6 -1.026 18.944 -5.337 46 HG2 LYS 6 HG2 LYS 6 -1.123 16.190 -6.155 47 HG3 LYS 6 HG3 LYS 6 -0.145 16.375 -4.696 48 HD2 LYS 6 HD2 LYS 6 -1.961 17.537 -3.590 49 HD3 LYS 6 HD3 LYS 6 -2.933 17.471 -5.062 50 HE2 LYS 6 HE2 LYS 6 -3.711 15.480 -4.469 51 HE3 LYS 6 HE3 LYS 6 -2.071 14.835 -4.446 52 HZ1 LYS 6 HZ1 LYS 6 -3.402 14.664 -2.318 53 HZ2 LYS 6 HZ2 LYS 6 -3.193 16.335 -2.157 54 HZ3 LYS 6 HZ3 LYS 6 -1.846 15.314 -2.182 55 H VAL 7 H VAL 7 -0.607 17.199 -9.586 56 HA VAL 7 HA VAL 7 2.219 16.461 -9.616 57 HB VAL 7 HB VAL 7 1.610 14.141 -10.391 58 HG11 VAL 7 HG11 VAL 7 0.704 14.651 -7.573 59 HG12 VAL 7 HG12 VAL 7 1.575 13.256 -8.213 60 HG13 VAL 7 HG13 VAL 7 2.390 14.813 -8.062 61 HG21 VAL 7 HG21 VAL 7 -0.974 15.161 -10.350 62 HG22 VAL 7 HG22 VAL 7 -0.507 13.475 -10.576 63 HG23 VAL 7 HG23 VAL 7 -0.907 14.070 -8.966 64 H LEU 8 H LEU 8 3.105 16.514 -11.612 65 HA LEU 8 HA LEU 8 1.286 16.766 -13.914 66 HB2 LEU 8 HB2 LEU 8 2.011 18.960 -13.566 67 HB3 LEU 8 HB3 LEU 8 3.647 18.449 -13.155 68 HG LEU 8 HG LEU 8 4.131 17.969 -15.464 69 HD11 LEU 8 HD11 LEU 8 1.221 18.089 -15.713 70 HD12 LEU 8 HD12 LEU 8 2.411 17.219 -16.680 71 HD13 LEU 8 HD13 LEU 8 2.091 18.923 -17.000 72 HD21 LEU 8 HD21 LEU 8 3.368 20.355 -16.398 73 HD22 LEU 8 HD22 LEU 8 4.679 20.153 -15.235 74 HD23 LEU 8 HD23 LEU 8 3.069 20.616 -14.679 75 H THR 9 H THR 9 1.565 14.886 -14.953 76 HA THR 9 HA THR 9 4.297 14.185 -15.773 77 HB THR 9 HB THR 9 2.682 11.807 -15.463 78 HG1 THR 9 HG1 THR 9 1.829 12.256 -13.582 79 HG21 THR 9 HG21 THR 9 5.345 12.517 -15.414 80 HG22 THR 9 HG22 THR 9 4.694 10.929 -15.011 81 HG23 THR 9 HG23 THR 9 5.009 12.103 -13.733 82 H ALA 10 H ALA 10 4.217 12.473 -17.565 83 HA ALA 10 HA ALA 10 2.959 13.489 -19.800 84 HB1 ALA 10 HB1 ALA 10 4.465 12.054 -20.602 85 HB2 ALA 10 HB2 ALA 10 4.430 11.071 -19.139 86 HB3 ALA 10 HB3 ALA 10 3.227 10.815 -20.403 87 H GLU 11 H GLU 11 1.821 11.001 -17.567 88 HA GLU 11 HA GLU 11 -0.389 10.086 -18.985 89 HB2 GLU 11 HB2 GLU 11 0.241 10.284 -16.060 90 HB3 GLU 11 HB3 GLU 11 -1.347 9.738 -16.581 91 HG2 GLU 11 HG2 GLU 11 0.291 8.202 -18.118 92 HG3 GLU 11 HG3 GLU 11 1.230 8.361 -16.635 93 H GLU 12 H GLU 12 -0.090 12.862 -16.807 94 HA GLU 12 HA GLU 12 -2.826 13.591 -16.880 95 HB2 GLU 12 HB2 GLU 12 -1.486 14.417 -15.086 96 HB3 GLU 12 HB3 GLU 12 -0.327 15.135 -16.196 97 HG2 GLU 12 HG2 GLU 12 -1.529 17.000 -16.439 98 HG3 GLU 12 HG3 GLU 12 -3.056 16.124 -16.526 99 H GLN 13 H GLN 13 -0.017 14.542 -18.796 100 HA GLN 13 HA GLN 13 -1.189 16.632 -20.237 101 HB2 GLN 13 HB2 GLN 13 1.280 15.804 -20.139 102 HB3 GLN 13 HB3 GLN 13 0.812 14.782 -21.491 103 HG2 GLN 13 HG2 GLN 13 -0.108 17.082 -22.427 104 HG3 GLN 13 HG3 GLN 13 1.135 17.722 -21.354 105 HE21 GLN 13 HE21 GLN 13 0.607 17.026 -24.423 106 HE22 GLN 13 HE22 GLN 13 2.183 16.532 -24.930 107 H GLN 14 H GLN 14 -0.854 13.197 -21.128 108 HA GLN 14 HA GLN 14 -2.311 13.400 -23.535 109 HB2 GLN 14 HB2 GLN 14 -2.444 10.937 -23.420 110 HB3 GLN 14 HB3 GLN 14 -0.816 11.535 -23.131 111 HG2 GLN 14 HG2 GLN 14 -1.238 11.301 -20.688 112 HG3 GLN 14 HG3 GLN 14 -2.773 10.530 -21.083 113 HE21 GLN 14 HE21 GLN 14 -2.736 8.524 -22.202 114 HE22 GLN 14 HE22 GLN 14 -1.360 7.483 -22.095 115 H GLU 15 H GLU 15 -3.265 12.550 -20.237 116 HA GLU 15 HA GLU 15 -5.882 11.741 -20.734 117 HB2 GLU 15 HB2 GLU 15 -4.436 12.857 -18.386 118 HB3 GLU 15 HB3 GLU 15 -6.192 12.845 -18.324 119 HG2 GLU 15 HG2 GLU 15 -4.687 10.369 -19.051 120 HG3 GLU 15 HG3 GLU 15 -4.871 10.846 -17.365 121 H TYR 16 H TYR 16 -4.594 14.986 -20.126 122 HA TYR 16 HA TYR 16 -7.130 16.277 -20.237 123 HB2 TYR 16 HB2 TYR 16 -5.219 17.274 -19.064 124 HB3 TYR 16 HB3 TYR 16 -4.351 17.422 -20.587 125 HD1 TYR 16 HD1 TYR 16 -7.765 18.325 -19.340 126 HD2 TYR 16 HD2 TYR 16 -4.252 19.573 -21.390 127 HE1 TYR 16 HE1 TYR 16 -8.764 20.545 -19.687 128 HE2 TYR 16 HE2 TYR 16 -5.241 21.797 -21.742 129 HH TYR 16 HH TYR 16 -8.448 22.606 -20.451 130 H LYS 17 H LYS 17 -4.535 15.727 -22.571 131 HA LYS 17 HA LYS 17 -5.464 17.308 -24.663 132 HB2 LYS 17 HB2 LYS 17 -3.939 14.702 -24.699 133 HB3 LYS 17 HB3 LYS 17 -4.234 15.667 -26.140 134 HG2 LYS 17 HG2 LYS 17 -3.149 17.356 -24.122 135 HG3 LYS 17 HG3 LYS 17 -2.143 15.911 -24.262 136 HD2 LYS 17 HD2 LYS 17 -3.028 17.499 -26.658 137 HD3 LYS 17 HD3 LYS 17 -1.550 17.874 -25.768 138 HE2 LYS 17 HE2 LYS 17 -1.194 15.244 -26.126 139 HE3 LYS 17 HE3 LYS 17 -2.183 15.590 -27.543 140 HZ1 LYS 17 HZ1 LYS 17 0.147 17.282 -26.928 141 HZ2 LYS 17 HZ2 LYS 17 -0.595 16.986 -28.420 142 HZ3 LYS 17 HZ3 LYS 17 0.368 15.794 -27.702 143 H GLU 18 H GLU 18 -6.259 13.953 -23.839 144 HA GLU 18 HA GLU 18 -8.022 13.614 -26.070 145 HB2 GLU 18 HB2 GLU 18 -8.603 11.488 -25.044 146 HB3 GLU 18 HB3 GLU 18 -6.860 11.714 -25.018 147 HG2 GLU 18 HG2 GLU 18 -6.908 12.284 -22.692 148 HG3 GLU 18 HG3 GLU 18 -8.671 12.268 -22.682 149 H ALA 19 H ALA 19 -8.352 14.633 -22.743 150 HA ALA 19 HA ALA 19 -11.128 14.350 -22.454 151 HB1 ALA 19 HB1 ALA 19 -10.947 15.836 -20.587 152 HB2 ALA 19 HB2 ALA 19 -9.512 14.811 -20.614 153 HB3 ALA 19 HB3 ALA 19 -9.415 16.478 -21.182 154 H PHE 20 H PHE 20 -9.216 17.194 -23.433 155 HA PHE 20 HA PHE 20 -11.540 18.756 -24.024 156 HB2 PHE 20 HB2 PHE 20 -10.094 20.494 -24.365 157 HB3 PHE 20 HB3 PHE 20 -9.021 19.442 -23.449 158 HD1 PHE 20 HD1 PHE 20 -9.826 20.765 -26.766 159 HD2 PHE 20 HD2 PHE 20 -7.161 18.343 -24.498 160 HE1 PHE 20 HE1 PHE 20 -8.226 20.781 -28.636 161 HE2 PHE 20 HE2 PHE 20 -5.557 18.355 -26.362 162 HZ PHE 20 HZ PHE 20 -6.088 19.575 -28.435 163 H GLN 21 H GLN 21 -9.373 16.699 -25.845 164 HA GLN 21 HA GLN 21 -10.153 17.531 -28.432 165 HB2 GLN 21 HB2 GLN 21 -8.111 16.320 -28.207 166 HB3 GLN 21 HB3 GLN 21 -8.918 14.980 -27.403 167 HG2 GLN 21 HG2 GLN 21 -10.113 14.471 -29.484 168 HG3 GLN 21 HG3 GLN 21 -9.255 15.786 -30.282 169 HE21 GLN 21 HE21 GLN 21 -9.025 13.422 -31.426 170 HE22 GLN 21 HE22 GLN 21 -7.475 12.716 -31.138 171 H LEU 22 H LEU 22 -11.230 14.851 -26.364 172 HA LEU 22 HA LEU 22 -13.116 13.815 -28.196 173 HB2 LEU 22 HB2 LEU 22 -12.371 12.404 -26.451 174 HB3 LEU 22 HB3 LEU 22 -12.809 13.581 -25.215 175 HG LEU 22 HG LEU 22 -15.167 12.864 -26.639 176 HD11 LEU 22 HD11 LEU 22 -14.155 10.830 -27.344 177 HD12 LEU 22 HD12 LEU 22 -15.215 10.445 -25.990 178 HD13 LEU 22 HD13 LEU 22 -13.471 10.542 -25.744 179 HD21 LEU 22 HD21 LEU 22 -16.018 12.701 -24.545 180 HD22 LEU 22 HD22 LEU 22 -14.525 13.547 -24.136 181 HD23 LEU 22 HD23 LEU 22 -14.634 11.798 -23.930 182 H PHE 23 H PHE 23 -13.263 16.335 -25.773 183 HA PHE 23 HA PHE 23 -16.144 16.617 -26.060 184 HB2 PHE 23 HB2 PHE 23 -14.206 17.321 -24.075 185 HB3 PHE 23 HB3 PHE 23 -15.050 18.779 -24.581 186 HD1 PHE 23 HD1 PHE 23 -15.650 15.302 -23.418 187 HD2 PHE 23 HD2 PHE 23 -17.138 19.279 -23.709 188 HE1 PHE 23 HE1 PHE 23 -17.553 14.692 -21.982 189 HE2 PHE 23 HE2 PHE 23 -19.042 18.676 -22.273 190 HZ PHE 23 HZ PHE 23 -19.253 16.380 -21.409 191 H ASP 24 H ASP 24 -13.816 17.330 -28.064 192 HA ASP 24 HA ASP 24 -14.896 19.980 -28.773 193 HB2 ASP 24 HB2 ASP 24 -12.121 18.899 -28.813 194 HB3 ASP 24 HB3 ASP 24 -12.582 20.004 -30.105 195 H LYS 25 H LYS 25 -16.535 18.400 -29.767 196 HA LYS 25 HA LYS 25 -15.773 16.968 -32.113 197 HB2 LYS 25 HB2 LYS 25 -18.131 16.599 -32.446 198 HB3 LYS 25 HB3 LYS 25 -17.770 16.418 -30.734 199 HG2 LYS 25 HG2 LYS 25 -18.431 19.048 -30.859 200 HG3 LYS 25 HG3 LYS 25 -19.473 18.364 -32.109 201 HD2 LYS 25 HD2 LYS 25 -20.699 17.161 -30.618 202 HD3 LYS 25 HD3 LYS 25 -19.329 16.905 -29.534 203 HE2 LYS 25 HE2 LYS 25 -19.766 19.643 -29.454 204 HE3 LYS 25 HE3 LYS 25 -21.387 18.948 -29.481 205 HZ1 LYS 25 HZ1 LYS 25 -20.765 19.098 -27.232 206 HZ2 LYS 25 HZ2 LYS 25 -19.229 18.445 -27.516 207 HZ3 LYS 25 HZ3 LYS 25 -20.601 17.462 -27.632 208 H ASP 26 H ASP 26 -16.775 20.228 -31.446 209 HA ASP 26 HA ASP 26 -17.361 20.869 -34.194 210 HB2 ASP 26 HB2 ASP 26 -17.686 23.141 -33.398 211 HB3 ASP 26 HB3 ASP 26 -18.494 22.016 -32.311 212 H ASN 27 H ASN 27 -14.553 20.455 -32.421 213 HA ASN 27 HA ASN 27 -12.356 20.847 -32.855 214 HB2 ASN 27 HB2 ASN 27 -13.367 20.318 -35.262 215 HB3 ASN 27 HB3 ASN 27 -12.931 22.001 -35.543 216 HD21 ASN 27 HD21 ASN 27 -11.881 18.976 -35.942 217 HD22 ASN 27 HD22 ASN 27 -10.172 19.224 -35.887 218 H ASP 28 H ASP 28 -13.378 22.719 -31.319 219 HA ASP 28 HA ASP 28 -12.714 25.328 -32.486 220 HB2 ASP 28 HB2 ASP 28 -14.610 24.415 -30.490 221 HB3 ASP 28 HB3 ASP 28 -13.612 25.727 -29.868 222 H ASN 29 H ASN 29 -11.361 22.895 -30.607 223 HA ASN 29 HA ASN 29 -9.409 22.721 -29.451 224 HB2 ASN 29 HB2 ASN 29 -8.860 24.520 -31.415 225 HB3 ASN 29 HB3 ASN 29 -8.501 25.480 -29.984 226 HD21 ASN 29 HD21 ASN 29 -6.687 25.083 -28.849 227 HD22 ASN 29 HD22 ASN 29 -5.529 23.868 -29.258 228 H LYS 30 H LYS 30 -11.898 24.215 -28.426 229 HA LYS 30 HA LYS 30 -10.695 24.973 -25.886 230 HB2 LYS 30 HB2 LYS 30 -12.640 26.833 -27.252 231 HB3 LYS 30 HB3 LYS 30 -11.764 27.111 -25.753 232 HG2 LYS 30 HG2 LYS 30 -9.668 27.222 -26.963 233 HG3 LYS 30 HG3 LYS 30 -10.501 26.857 -28.476 234 HD2 LYS 30 HD2 LYS 30 -10.372 29.143 -28.612 235 HD3 LYS 30 HD3 LYS 30 -11.936 28.960 -27.813 236 HE2 LYS 30 HE2 LYS 30 -10.450 29.051 -25.639 237 HE3 LYS 30 HE3 LYS 30 -9.329 29.889 -26.711 238 HZ1 LYS 30 HZ1 LYS 30 -10.899 31.353 -25.471 239 HZ2 LYS 30 HZ2 LYS 30 -12.164 30.688 -26.374 240 HZ3 LYS 30 HZ3 LYS 30 -10.935 31.554 -27.150 241 H LEU 31 H LEU 31 -12.313 25.203 -24.161 242 HA LEU 31 HA LEU 31 -14.789 23.721 -24.749 243 HB2 LEU 31 HB2 LEU 31 -12.717 23.275 -22.689 244 HB3 LEU 31 HB3 LEU 31 -14.392 23.099 -22.170 245 HG LEU 31 HG LEU 31 -14.647 21.473 -24.123 246 HD11 LEU 31 HD11 LEU 31 -12.691 21.981 -25.388 247 HD12 LEU 31 HD12 LEU 31 -12.505 20.349 -24.748 248 HD13 LEU 31 HD13 LEU 31 -11.646 21.693 -23.997 249 HD21 LEU 31 HD21 LEU 31 -13.635 19.624 -22.812 250 HD22 LEU 31 HD22 LEU 31 -14.633 20.711 -21.844 251 HD23 LEU 31 HD23 LEU 31 -12.875 20.828 -21.770 252 H THR 32 H THR 32 -16.600 24.730 -24.185 253 HA THR 32 HA THR 32 -16.511 27.293 -22.918 254 HB THR 32 HB THR 32 -18.844 27.444 -23.311 255 HG1 THR 32 HG1 THR 32 -20.060 25.749 -23.008 256 HG21 THR 32 HG21 THR 32 -19.001 27.078 -25.628 257 HG22 THR 32 HG22 THR 32 -17.941 25.671 -25.566 258 HG23 THR 32 HG23 THR 32 -17.276 27.288 -25.332 259 H ALA 33 H ALA 33 -18.265 27.730 -21.162 260 HA ALA 33 HA ALA 33 -17.445 26.678 -18.762 261 HB1 ALA 33 HB1 ALA 33 -20.277 27.577 -19.193 262 HB2 ALA 33 HB2 ALA 33 -19.267 27.759 -17.757 263 HB3 ALA 33 HB3 ALA 33 -18.925 28.708 -19.204 264 H GLU 34 H GLU 34 -19.903 25.450 -20.950 265 HA GLU 34 HA GLU 34 -20.969 23.514 -19.154 266 HB2 GLU 34 HB2 GLU 34 -21.380 24.327 -21.910 267 HB3 GLU 34 HB3 GLU 34 -21.422 22.578 -21.744 268 HG2 GLU 34 HG2 GLU 34 -23.080 22.894 -19.887 269 HG3 GLU 34 HG3 GLU 34 -23.146 24.596 -20.339 270 H GLU 35 H GLU 35 -18.653 23.316 -21.846 271 HA GLU 35 HA GLU 35 -18.146 20.554 -21.600 272 HB2 GLU 35 HB2 GLU 35 -16.273 22.665 -22.676 273 HB3 GLU 35 HB3 GLU 35 -16.229 20.942 -23.025 274 HG2 GLU 35 HG2 GLU 35 -18.778 21.647 -23.754 275 HG3 GLU 35 HG3 GLU 35 -17.829 23.056 -24.220 276 H LEU 36 H LEU 36 -16.692 23.386 -20.104 277 HA LEU 36 HA LEU 36 -14.494 22.031 -18.926 278 HB2 LEU 36 HB2 LEU 36 -14.361 24.387 -19.201 279 HB3 LEU 36 HB3 LEU 36 -15.858 24.639 -18.306 280 HG LEU 36 HG LEU 36 -14.571 23.676 -16.294 281 HD11 LEU 36 HD11 LEU 36 -12.523 23.664 -18.333 282 HD12 LEU 36 HD12 LEU 36 -12.516 22.948 -16.722 283 HD13 LEU 36 HD13 LEU 36 -12.049 24.634 -16.938 284 HD21 LEU 36 HD21 LEU 36 -15.038 25.868 -15.968 285 HD22 LEU 36 HD22 LEU 36 -14.398 26.353 -17.538 286 HD23 LEU 36 HD23 LEU 36 -13.296 26.024 -16.201 287 H GLY 37 H GLY 37 -17.778 22.736 -17.869 288 HA2 GLY 37 HA2 GLY 37 -17.490 22.023 -15.163 289 HA3 GLY 37 HA3 GLY 37 -18.996 21.994 -16.070 290 H THR 38 H THR 38 -17.997 20.075 -18.033 291 HA THR 38 HA THR 38 -18.697 17.686 -16.636 292 HB THR 38 HB THR 38 -17.662 18.058 -19.454 293 HG1 THR 38 HG1 THR 38 -19.768 18.998 -18.831 294 HG21 THR 38 HG21 THR 38 -18.031 15.683 -17.911 295 HG22 THR 38 HG22 THR 38 -17.532 15.840 -19.593 296 HG23 THR 38 HG23 THR 38 -19.244 15.727 -19.189 297 H VAL 39 H VAL 39 -15.700 18.896 -18.109 298 HA VAL 39 HA VAL 39 -14.158 16.603 -17.392 299 HB VAL 39 HB VAL 39 -13.496 18.020 -19.268 300 HG11 VAL 39 HG11 VAL 39 -14.243 20.167 -18.300 301 HG12 VAL 39 HG12 VAL 39 -12.858 20.128 -17.208 302 HG13 VAL 39 HG13 VAL 39 -12.606 20.242 -18.949 303 HG21 VAL 39 HG21 VAL 39 -11.799 17.096 -17.187 304 HG22 VAL 39 HG22 VAL 39 -11.445 17.252 -18.908 305 HG23 VAL 39 HG23 VAL 39 -11.126 18.600 -17.816 306 H MET 40 H MET 40 -14.827 19.710 -15.902 307 HA MET 40 HA MET 40 -12.819 19.522 -13.890 308 HB2 MET 40 HB2 MET 40 -14.055 21.619 -14.712 309 HB3 MET 40 HB3 MET 40 -15.361 21.115 -13.647 310 HG2 MET 40 HG2 MET 40 -14.231 21.663 -11.771 311 HG3 MET 40 HG3 MET 40 -12.666 21.235 -12.457 312 HE1 MET 40 HE1 MET 40 -14.894 23.878 -11.264 313 HE2 MET 40 HE2 MET 40 -13.257 23.939 -10.612 314 HE3 MET 40 HE3 MET 40 -13.887 25.300 -11.541 315 H ARG 41 H ARG 41 -16.155 18.482 -14.149 316 HA ARG 41 HA ARG 41 -16.771 18.007 -11.490 317 HB2 ARG 41 HB2 ARG 41 -17.650 16.828 -14.080 318 HB3 ARG 41 HB3 ARG 41 -18.090 15.980 -12.604 319 HG2 ARG 41 HG2 ARG 41 -19.476 17.657 -11.886 320 HG3 ARG 41 HG3 ARG 41 -18.617 18.902 -12.795 321 HD2 ARG 41 HD2 ARG 41 -20.206 18.748 -14.344 322 HD3 ARG 41 HD3 ARG 41 -19.586 17.143 -14.725 323 HE ARG 41 HE ARG 41 -21.364 17.019 -12.529 324 HH11 ARG 41 HH11 ARG 41 -21.304 17.434 -15.984 325 HH12 ARG 41 HH12 ARG 41 -22.889 16.778 -16.223 326 HH21 ARG 41 HH21 ARG 41 -23.453 16.153 -12.828 327 HH22 ARG 41 HH22 ARG 41 -24.112 16.050 -14.426 328 H ALA 42 H ALA 42 -14.823 16.118 -13.713 329 HA ALA 42 HA ALA 42 -14.657 13.725 -12.287 330 HB1 ALA 42 HB1 ALA 42 -12.534 15.007 -14.004 331 HB2 ALA 42 HB2 ALA 42 -12.601 13.309 -13.529 332 HB3 ALA 42 HB3 ALA 42 -13.848 13.981 -14.579 333 H LEU 43 H LEU 43 -13.285 16.814 -11.630 334 HA LEU 43 HA LEU 43 -11.553 15.642 -9.558 335 HB2 LEU 43 HB2 LEU 43 -11.415 18.402 -10.760 336 HB3 LEU 43 HB3 LEU 43 -10.278 17.697 -9.612 337 HG LEU 43 HG LEU 43 -10.688 16.897 -12.491 338 HD11 LEU 43 HD11 LEU 43 -8.304 18.062 -11.059 339 HD12 LEU 43 HD12 LEU 43 -9.391 18.949 -12.127 340 HD13 LEU 43 HD13 LEU 43 -8.398 17.641 -12.769 341 HD21 LEU 43 HD21 LEU 43 -8.920 15.266 -12.136 342 HD22 LEU 43 HD22 LEU 43 -10.296 14.927 -11.085 343 HD23 LEU 43 HD23 LEU 43 -8.849 15.690 -10.424 344 H GLY 44 H GLY 44 -14.238 17.741 -10.178 345 HA2 GLY 44 HA2 GLY 44 -14.224 18.824 -7.472 346 HA3 GLY 44 HA3 GLY 44 -15.354 19.234 -8.753 347 H ALA 45 H ALA 45 -17.129 17.844 -9.167 348 HA ALA 45 HA ALA 45 -18.876 16.511 -8.573 349 HB1 ALA 45 HB1 ALA 45 -18.421 14.360 -7.772 350 HB2 ALA 45 HB2 ALA 45 -16.964 14.815 -8.656 351 HB3 ALA 45 HB3 ALA 45 -16.987 14.893 -6.895 352 H ASN 46 H ASN 46 -19.462 18.512 -7.323 353 HA ASN 46 HA ASN 46 -20.526 17.840 -4.835 354 HB2 ASN 46 HB2 ASN 46 -17.777 18.635 -4.703 355 HB3 ASN 46 HB3 ASN 46 -18.764 19.868 -3.925 356 HD21 ASN 46 HD21 ASN 46 -17.872 19.312 -1.918 357 HD22 ASN 46 HD22 ASN 46 -18.371 17.890 -1.073 358 HA PRO 47 HA PRO 47 -21.031 22.595 -5.482 359 HB2 PRO 47 HB2 PRO 47 -19.578 23.755 -7.460 360 HB3 PRO 47 HB3 PRO 47 -18.985 23.592 -5.803 361 HG2 PRO 47 HG2 PRO 47 -18.392 21.902 -8.203 362 HG3 PRO 47 HG3 PRO 47 -17.285 22.497 -6.951 363 HD2 PRO 47 HD2 PRO 47 -18.252 19.968 -6.958 364 HD3 PRO 47 HD3 PRO 47 -17.883 20.846 -5.459 365 H THR 48 H THR 48 -22.017 24.014 -7.233 366 HA THR 48 HA THR 48 -23.456 22.280 -9.093 367 HB THR 48 HB THR 48 -24.210 25.121 -9.005 368 HG1 THR 48 HG1 THR 48 -24.298 23.481 -6.683 369 HG21 THR 48 HG21 THR 48 -25.396 22.906 -9.903 370 HG22 THR 48 HG22 THR 48 -26.311 24.298 -9.324 371 HG23 THR 48 HG23 THR 48 -26.047 22.912 -8.265 372 H LYS 49 H LYS 49 -23.916 23.079 -11.285 373 HA LYS 49 HA LYS 49 -21.559 23.684 -12.689 374 HB2 LYS 49 HB2 LYS 49 -24.452 23.848 -13.546 375 HB3 LYS 49 HB3 LYS 49 -23.089 24.014 -14.645 376 HG2 LYS 49 HG2 LYS 49 -23.213 21.592 -12.934 377 HG3 LYS 49 HG3 LYS 49 -24.327 21.713 -14.297 378 HD2 LYS 49 HD2 LYS 49 -21.399 22.244 -14.659 379 HD3 LYS 49 HD3 LYS 49 -22.024 20.593 -14.660 380 HE2 LYS 49 HE2 LYS 49 -23.659 21.348 -16.432 381 HE3 LYS 49 HE3 LYS 49 -22.731 22.843 -16.531 382 HZ1 LYS 49 HZ1 LYS 49 -21.220 21.846 -17.788 383 HZ2 LYS 49 HZ2 LYS 49 -22.228 20.490 -17.868 384 HZ3 LYS 49 HZ3 LYS 49 -21.024 20.580 -16.684 385 H GLN 50 H GLN 50 -24.171 25.707 -11.504 386 HA GLN 50 HA GLN 50 -23.496 28.052 -12.925 387 HB2 GLN 50 HB2 GLN 50 -25.520 27.296 -11.207 388 HB3 GLN 50 HB3 GLN 50 -24.648 28.507 -10.277 389 HG2 GLN 50 HG2 GLN 50 -24.939 29.522 -12.892 390 HG3 GLN 50 HG3 GLN 50 -26.503 28.867 -12.406 391 HE21 GLN 50 HE21 GLN 50 -24.876 31.614 -12.547 392 HE22 GLN 50 HE22 GLN 50 -25.499 32.442 -11.165 393 H LYS 51 H LYS 51 -22.353 26.665 -9.920 394 HA LYS 51 HA LYS 51 -20.979 28.966 -8.981 395 HB2 LYS 51 HB2 LYS 51 -20.520 26.039 -8.371 396 HB3 LYS 51 HB3 LYS 51 -19.815 27.380 -7.478 397 HG2 LYS 51 HG2 LYS 51 -22.773 27.254 -7.763 398 HG3 LYS 51 HG3 LYS 51 -21.975 26.165 -6.625 399 HD2 LYS 51 HD2 LYS 51 -20.793 28.279 -5.757 400 HD3 LYS 51 HD3 LYS 51 -22.042 29.167 -6.633 401 HE2 LYS 51 HE2 LYS 51 -23.637 28.635 -5.141 402 HE3 LYS 51 HE3 LYS 51 -23.050 26.983 -4.955 403 HZ1 LYS 51 HZ1 LYS 51 -21.846 29.387 -3.691 404 HZ2 LYS 51 HZ2 LYS 51 -21.314 27.793 -3.494 405 HZ3 LYS 51 HZ3 LYS 51 -22.831 28.257 -2.907 406 H ILE 52 H ILE 52 -19.900 26.065 -10.734 407 HA ILE 52 HA ILE 52 -17.194 26.886 -10.946 408 HB ILE 52 HB ILE 52 -17.003 25.135 -12.686 409 HG12 ILE 52 HG12 ILE 52 -19.977 24.814 -12.226 410 HG13 ILE 52 HG13 ILE 52 -19.221 25.400 -13.702 411 HG21 ILE 52 HG21 ILE 52 -18.595 24.039 -10.393 412 HG22 ILE 52 HG22 ILE 52 -17.204 23.332 -11.213 413 HG23 ILE 52 HG23 ILE 52 -16.989 24.729 -10.157 414 HD11 ILE 52 HD11 ILE 52 -17.979 23.008 -13.371 415 HD12 ILE 52 HD12 ILE 52 -19.586 22.672 -12.728 416 HD13 ILE 52 HD13 ILE 52 -19.405 23.281 -14.373 417 H SER 53 H SER 53 -20.044 27.406 -12.912 418 HA SER 53 HA SER 53 -18.659 28.394 -15.201 419 HB2 SER 53 HB2 SER 53 -20.787 28.899 -16.090 420 HB3 SER 53 HB3 SER 53 -21.055 27.472 -15.090 421 HG SER 53 HG SER 53 -22.642 28.986 -14.635 422 H GLU 54 H GLU 54 -19.971 29.831 -12.285 423 HA GLU 54 HA GLU 54 -19.718 32.537 -13.169 424 HB2 GLU 54 HB2 GLU 54 -21.255 31.711 -11.338 425 HB3 GLU 54 HB3 GLU 54 -19.833 31.562 -10.316 426 HG2 GLU 54 HG2 GLU 54 -19.489 34.078 -11.049 427 HG3 GLU 54 HG3 GLU 54 -21.234 33.989 -11.282 428 H ILE 55 H ILE 55 -17.839 30.523 -10.910 429 HA ILE 55 HA ILE 55 -15.839 32.409 -10.372 430 HB ILE 55 HB ILE 55 -14.431 30.427 -9.740 431 HG12 ILE 55 HG12 ILE 55 -16.370 28.408 -9.669 432 HG13 ILE 55 HG13 ILE 55 -16.481 29.085 -11.290 433 HG21 ILE 55 HG21 ILE 55 -17.233 30.512 -8.626 434 HG22 ILE 55 HG22 ILE 55 -15.828 29.805 -7.830 435 HG23 ILE 55 HG23 ILE 55 -15.888 31.541 -8.133 436 HD11 ILE 55 HD11 ILE 55 -13.890 28.831 -11.264 437 HD12 ILE 55 HD12 ILE 55 -14.217 27.668 -9.979 438 HD13 ILE 55 HD13 ILE 55 -14.921 27.435 -11.579 439 H VAL 56 H VAL 56 -16.155 30.013 -12.933 440 HA VAL 56 HA VAL 56 -13.522 30.373 -13.975 441 HB VAL 56 HB VAL 56 -16.013 29.092 -15.069 442 HG11 VAL 56 HG11 VAL 56 -15.007 29.999 -17.015 443 HG12 VAL 56 HG12 VAL 56 -13.389 29.547 -16.475 444 HG13 VAL 56 HG13 VAL 56 -14.541 28.300 -16.957 445 HG21 VAL 56 HG21 VAL 56 -13.556 27.541 -14.925 446 HG22 VAL 56 HG22 VAL 56 -14.038 28.203 -13.362 447 HG23 VAL 56 HG23 VAL 56 -15.156 27.188 -14.274 448 H LYS 57 H LYS 57 -16.659 31.819 -14.603 449 HA LYS 57 HA LYS 57 -15.861 33.204 -16.971 450 HB2 LYS 57 HB2 LYS 57 -18.233 33.285 -15.151 451 HB3 LYS 57 HB3 LYS 57 -17.989 34.603 -16.290 452 HG2 LYS 57 HG2 LYS 57 -18.287 33.236 -18.135 453 HG3 LYS 57 HG3 LYS 57 -17.934 31.764 -17.227 454 HD2 LYS 57 HD2 LYS 57 -20.109 32.667 -15.893 455 HD3 LYS 57 HD3 LYS 57 -20.459 33.256 -17.521 456 HE2 LYS 57 HE2 LYS 57 -19.567 30.431 -17.109 457 HE3 LYS 57 HE3 LYS 57 -21.244 30.878 -16.795 458 HZ1 LYS 57 HZ1 LYS 57 -21.362 31.755 -19.070 459 HZ2 LYS 57 HZ2 LYS 57 -21.010 30.100 -19.043 460 HZ3 LYS 57 HZ3 LYS 57 -19.783 31.220 -19.358 461 H ASP 58 H ASP 58 -15.862 33.928 -13.546 462 HA ASP 58 HA ASP 58 -15.259 36.720 -13.910 463 HB2 ASP 58 HB2 ASP 58 -15.549 34.880 -11.577 464 HB3 ASP 58 HB3 ASP 58 -14.663 36.385 -11.348 465 H TYR 59 H TYR 59 -13.483 33.794 -13.814 466 HA TYR 59 HA TYR 59 -10.985 35.013 -13.020 467 HB2 TYR 59 HB2 TYR 59 -11.720 32.578 -12.593 468 HB3 TYR 59 HB3 TYR 59 -11.276 32.290 -14.271 469 HD1 TYR 59 HD1 TYR 59 -9.954 33.413 -10.994 470 HD2 TYR 59 HD2 TYR 59 -9.021 31.978 -14.890 471 HE1 TYR 59 HE1 TYR 59 -7.611 33.102 -10.312 472 HE2 TYR 59 HE2 TYR 59 -6.676 31.662 -14.218 473 HH TYR 59 HH TYR 59 -5.303 33.039 -11.631 474 H ASP 60 H ASP 60 -12.585 34.032 -15.983 475 HA ASP 60 HA ASP 60 -10.435 35.346 -17.502 476 HB2 ASP 60 HB2 ASP 60 -11.126 33.582 -19.334 477 HB3 ASP 60 HB3 ASP 60 -9.957 33.165 -18.082 478 H LYS 61 H LYS 61 -11.899 37.183 -17.364 479 HA LYS 61 HA LYS 61 -14.202 36.962 -19.187 480 HB2 LYS 61 HB2 LYS 61 -15.044 39.019 -18.072 481 HB3 LYS 61 HB3 LYS 61 -14.893 37.647 -16.982 482 HG2 LYS 61 HG2 LYS 61 -12.446 38.978 -16.825 483 HG3 LYS 61 HG3 LYS 61 -13.673 40.247 -16.837 484 HD2 LYS 61 HD2 LYS 61 -14.760 39.341 -14.937 485 HD3 LYS 61 HD3 LYS 61 -13.841 37.838 -15.040 486 HE2 LYS 61 HE2 LYS 61 -11.881 38.849 -14.267 487 HE3 LYS 61 HE3 LYS 61 -12.470 40.472 -14.620 488 HZ1 LYS 61 HZ1 LYS 61 -12.552 39.211 -12.196 489 HZ2 LYS 61 HZ2 LYS 61 -14.146 39.111 -12.754 490 HZ3 LYS 61 HZ3 LYS 61 -13.391 40.618 -12.619 491 H ASP 62 H ASP 62 -11.075 38.104 -18.957 492 HA ASP 62 HA ASP 62 -11.387 40.510 -20.503 493 HB2 ASP 62 HB2 ASP 62 -8.923 40.526 -20.558 494 HB3 ASP 62 HB3 ASP 62 -9.537 40.305 -18.922 495 H ASN 63 H ASN 63 -11.308 37.205 -21.207 496 HA ASN 63 HA ASN 63 -10.577 37.745 -24.009 497 HB2 ASN 63 HB2 ASN 63 -10.006 35.479 -22.192 498 HB3 ASN 63 HB3 ASN 63 -10.436 35.045 -23.843 499 HD21 ASN 63 HD21 ASN 63 -8.110 34.244 -23.464 500 HD22 ASN 63 HD22 ASN 63 -6.865 35.313 -24.004 501 H SER 64 H SER 64 -12.484 35.309 -22.230 502 HA SER 64 HA SER 64 -14.973 35.992 -23.294 503 HB2 SER 64 HB2 SER 64 -13.341 34.775 -25.227 504 HB3 SER 64 HB3 SER 64 -14.458 33.516 -24.700 505 HG SER 64 HG SER 64 -15.307 36.119 -25.423 506 H GLY 65 H GLY 65 -16.277 33.607 -23.496 507 HA2 GLY 65 HA2 GLY 65 -15.935 32.546 -20.779 508 HA3 GLY 65 HA3 GLY 65 -17.397 32.439 -21.746 509 H LYS 66 H LYS 66 -14.153 31.660 -22.864 510 HA LYS 66 HA LYS 66 -14.976 28.835 -23.049 511 HB2 LYS 66 HB2 LYS 66 -13.670 30.639 -25.024 512 HB3 LYS 66 HB3 LYS 66 -13.154 28.958 -24.996 513 HG2 LYS 66 HG2 LYS 66 -14.863 28.535 -26.344 514 HG3 LYS 66 HG3 LYS 66 -15.913 28.802 -24.952 515 HD2 LYS 66 HD2 LYS 66 -16.837 30.301 -26.404 516 HD3 LYS 66 HD3 LYS 66 -15.604 31.335 -25.678 517 HE2 LYS 66 HE2 LYS 66 -14.089 30.552 -27.585 518 HE3 LYS 66 HE3 LYS 66 -15.562 29.952 -28.344 519 HZ1 LYS 66 HZ1 LYS 66 -14.692 32.705 -27.894 520 HZ2 LYS 66 HZ2 LYS 66 -16.352 32.390 -27.803 521 HZ3 LYS 66 HZ3 LYS 66 -15.500 32.030 -29.218 522 H PHE 67 H PHE 67 -13.084 27.316 -23.200 523 HA PHE 67 HA PHE 67 -10.903 28.242 -21.447 524 HB2 PHE 67 HB2 PHE 67 -12.746 26.313 -20.834 525 HB3 PHE 67 HB3 PHE 67 -11.430 25.349 -21.497 526 HD1 PHE 67 HD1 PHE 67 -9.196 25.423 -20.444 527 HD2 PHE 67 HD2 PHE 67 -12.570 27.358 -18.716 528 HE1 PHE 67 HE1 PHE 67 -8.009 25.566 -18.294 529 HE2 PHE 67 HE2 PHE 67 -11.387 27.505 -16.563 530 HZ PHE 67 HZ PHE 67 -9.104 26.607 -16.350 531 H ASP 68 H ASP 68 -8.861 27.927 -22.107 532 HA ASP 68 HA ASP 68 -8.467 26.435 -24.617 533 HB2 ASP 68 HB2 ASP 68 -7.998 28.865 -24.754 534 HB3 ASP 68 HB3 ASP 68 -6.786 28.683 -23.488 535 H GLN 69 H GLN 69 -6.968 24.845 -24.722 536 HA GLN 69 HA GLN 69 -6.192 23.430 -22.504 537 HB2 GLN 69 HB2 GLN 69 -5.078 23.588 -25.284 538 HB3 GLN 69 HB3 GLN 69 -4.287 22.584 -24.076 539 HG2 GLN 69 HG2 GLN 69 -5.893 21.374 -25.531 540 HG3 GLN 69 HG3 GLN 69 -6.228 21.238 -23.807 541 HE21 GLN 69 HE21 GLN 69 -8.130 21.953 -23.022 542 HE22 GLN 69 HE22 GLN 69 -9.379 22.660 -23.984 543 H GLU 70 H GLU 70 -4.393 25.973 -24.182 544 HA GLU 70 HA GLU 70 -1.979 25.785 -22.819 545 HB2 GLU 70 HB2 GLU 70 -3.082 27.497 -24.702 546 HB3 GLU 70 HB3 GLU 70 -2.769 28.544 -23.325 547 HG2 GLU 70 HG2 GLU 70 -0.463 28.036 -23.340 548 HG3 GLU 70 HG3 GLU 70 -0.693 26.701 -24.467 549 H THR 71 H THR 71 -4.967 27.425 -21.919 550 HA THR 71 HA THR 71 -3.978 28.796 -19.666 551 HB THR 71 HB THR 71 -6.782 27.802 -20.210 552 HG1 THR 71 HG1 THR 71 -5.930 30.477 -20.454 553 HG21 THR 71 HG21 THR 71 -7.343 29.749 -18.637 554 HG22 THR 71 HG22 THR 71 -5.661 29.648 -18.119 555 HG23 THR 71 HG23 THR 71 -6.733 28.264 -17.908 556 H PHE 72 H PHE 72 -5.523 25.617 -19.994 557 HA PHE 72 HA PHE 72 -5.511 25.004 -17.232 558 HB2 PHE 72 HB2 PHE 72 -6.906 23.876 -19.011 559 HB3 PHE 72 HB3 PHE 72 -5.452 23.017 -19.506 560 HD1 PHE 72 HD1 PHE 72 -7.853 23.495 -16.750 561 HD2 PHE 72 HD2 PHE 72 -4.662 21.145 -18.301 562 HE1 PHE 72 HE1 PHE 72 -8.300 21.772 -15.051 563 HE2 PHE 72 HE2 PHE 72 -5.104 19.419 -16.605 564 HZ PHE 72 HZ PHE 72 -6.924 19.732 -14.976 565 H LEU 73 H LEU 73 -3.239 24.341 -19.854 566 HA LEU 73 HA LEU 73 -1.493 22.691 -18.365 567 HB2 LEU 73 HB2 LEU 73 -1.585 23.883 -20.985 568 HB3 LEU 73 HB3 LEU 73 0.033 24.020 -20.300 569 HG LEU 73 HG LEU 73 -1.080 21.347 -20.005 570 HD11 LEU 73 HD11 LEU 73 -1.424 20.716 -22.164 571 HD12 LEU 73 HD12 LEU 73 -0.384 21.979 -22.820 572 HD13 LEU 73 HD13 LEU 73 -2.007 22.378 -22.259 573 HD21 LEU 73 HD21 LEU 73 1.415 22.454 -21.289 574 HD22 LEU 73 HD22 LEU 73 1.097 20.747 -20.978 575 HD23 LEU 73 HD23 LEU 73 1.257 21.875 -19.630 576 H THR 74 H THR 74 -1.700 26.167 -18.827 577 HA THR 74 HA THR 74 0.806 26.787 -17.630 578 HB THR 74 HB THR 74 -1.632 28.549 -17.954 579 HG1 THR 74 HG1 THR 74 -0.984 28.804 -19.958 580 HG21 THR 74 HG21 THR 74 -0.039 30.406 -17.765 581 HG22 THR 74 HG22 THR 74 1.262 29.258 -17.453 582 HG23 THR 74 HG23 THR 74 -0.062 29.426 -16.299 583 H ILE 75 H ILE 75 -2.503 26.542 -16.426 584 HA ILE 75 HA ILE 75 -1.970 27.560 -13.834 585 HB ILE 75 HB ILE 75 -4.177 25.713 -14.752 586 HG12 ILE 75 HG12 ILE 75 -4.560 28.612 -14.152 587 HG13 ILE 75 HG13 ILE 75 -3.812 28.171 -15.683 588 HG21 ILE 75 HG21 ILE 75 -3.944 25.544 -12.371 589 HG22 ILE 75 HG22 ILE 75 -3.853 27.298 -12.211 590 HG23 ILE 75 HG23 ILE 75 -5.358 26.537 -12.724 591 HD11 ILE 75 HD11 ILE 75 -6.507 27.261 -14.701 592 HD12 ILE 75 HD12 ILE 75 -6.201 28.486 -15.933 593 HD13 ILE 75 HD13 ILE 75 -5.759 26.804 -16.231 594 H MET 76 H MET 76 -2.236 24.246 -15.099 595 HA MET 76 HA MET 76 -1.663 22.985 -12.624 596 HB2 MET 76 HB2 MET 76 -1.312 20.954 -13.998 597 HB3 MET 76 HB3 MET 76 -2.822 21.775 -14.369 598 HG2 MET 76 HG2 MET 76 -2.132 21.422 -16.483 599 HG3 MET 76 HG3 MET 76 -1.267 22.930 -16.197 600 HE1 MET 76 HE1 MET 76 -1.347 19.998 -17.691 601 HE2 MET 76 HE2 MET 76 0.308 19.856 -18.284 602 HE3 MET 76 HE3 MET 76 -0.241 18.836 -16.953 603 H LEU 77 H LEU 77 0.302 24.378 -15.107 604 HA LEU 77 HA LEU 77 2.719 23.011 -14.362 605 HB2 LEU 77 HB2 LEU 77 2.463 23.764 -16.627 606 HB3 LEU 77 HB3 LEU 77 2.198 25.422 -16.092 607 HG LEU 77 HG LEU 77 4.784 24.222 -15.326 608 HD11 LEU 77 HD11 LEU 77 4.175 23.493 -17.752 609 HD12 LEU 77 HD12 LEU 77 5.766 24.168 -17.406 610 HD13 LEU 77 HD13 LEU 77 4.521 25.178 -18.140 611 HD21 LEU 77 HD21 LEU 77 4.609 26.780 -16.762 612 HD22 LEU 77 HD22 LEU 77 5.439 26.371 -15.260 613 HD23 LEU 77 HD23 LEU 77 3.707 26.706 -15.248 614 H GLU 78 H GLU 78 1.295 26.192 -13.763 615 HA GLU 78 HA GLU 78 3.536 27.174 -12.288 616 HB2 GLU 78 HB2 GLU 78 2.169 29.081 -11.791 617 HB3 GLU 78 HB3 GLU 78 1.880 28.627 -13.465 618 HG2 GLU 78 HG2 GLU 78 -0.211 27.616 -12.900 619 HG3 GLU 78 HG3 GLU 78 0.099 27.828 -11.178 620 H TYR 79 H TYR 79 0.724 25.303 -11.532 621 HA TYR 79 HA TYR 79 1.056 25.709 -8.662 622 HB2 TYR 79 HB2 TYR 79 -1.184 25.385 -10.146 623 HB3 TYR 79 HB3 TYR 79 -0.905 23.722 -9.641 624 HD1 TYR 79 HD1 TYR 79 -0.579 23.311 -7.115 625 HD2 TYR 79 HD2 TYR 79 -2.258 26.879 -8.715 626 HE1 TYR 79 HE1 TYR 79 -1.610 23.796 -4.935 627 HE2 TYR 79 HE2 TYR 79 -3.291 27.374 -6.539 628 HH TYR 79 HH TYR 79 -2.872 26.786 -4.124 629 H GLY 80 H GLY 80 1.666 23.342 -11.147 630 HA2 GLY 80 HA2 GLY 80 2.269 21.240 -9.232 631 HA3 GLY 80 HA3 GLY 80 2.376 21.122 -10.983 632 H GLN 81 H GLN 81 3.998 23.562 -11.200 633 HA GLN 81 HA GLN 81 6.547 22.402 -10.303 634 HB2 GLN 81 HB2 GLN 81 6.142 24.447 -12.486 635 HB3 GLN 81 HB3 GLN 81 7.604 23.534 -12.137 636 HG2 GLN 81 HG2 GLN 81 5.548 21.658 -12.580 637 HG3 GLN 81 HG3 GLN 81 5.437 22.867 -13.858 638 HE21 GLN 81 HE21 GLN 81 6.602 22.455 -15.581 639 HE22 GLN 81 HE22 GLN 81 8.056 21.523 -15.637 640 H GLU 82 H GLU 82 4.693 24.171 -8.764 641 HA GLU 82 HA GLU 82 5.584 26.784 -8.568 642 HB2 GLU 82 HB2 GLU 82 4.624 26.830 -6.370 643 HB3 GLU 82 HB3 GLU 82 3.611 25.811 -7.384 644 HG2 GLU 82 HG2 GLU 82 4.771 23.826 -6.434 645 HG3 GLU 82 HG3 GLU 82 5.603 24.911 -5.321 646 H VAL 83 H VAL 83 7.058 23.842 -7.425 647 HA VAL 83 HA VAL 83 8.935 25.111 -5.671 648 HB VAL 83 HB VAL 83 10.016 22.951 -5.514 649 HG11 VAL 83 HG11 VAL 83 7.265 21.963 -5.575 650 HG12 VAL 83 HG12 VAL 83 8.394 22.095 -4.226 651 HG13 VAL 83 HG13 VAL 83 7.454 23.499 -4.731 652 HG21 VAL 83 HG21 VAL 83 8.560 22.458 -8.042 653 HG22 VAL 83 HG22 VAL 83 10.154 21.911 -7.523 654 HG23 VAL 83 HG23 VAL 83 8.706 21.097 -6.931 655 H ASP 84 H ASP 84 11.150 25.426 -5.995 656 HA ASP 84 HA ASP 84 11.923 25.689 -8.821 657 HB2 ASP 84 HB2 ASP 84 12.609 27.230 -6.351 658 HB3 ASP 84 HB3 ASP 84 13.772 27.181 -7.674 659 H SER 85 H SER 85 14.280 25.400 -9.267 660 HA SER 85 HA SER 85 15.706 23.615 -7.480 661 HB2 SER 85 HB2 SER 85 15.653 21.703 -8.744 662 HB3 SER 85 HB3 SER 85 14.074 22.354 -9.182 663 HG SER 85 HG SER 85 16.423 22.202 -10.678 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -12.348 3.723 -8.510 2 HA MET 1 HA MET 1 -12.798 3.703 -5.640 3 HB2 MET 1 HB2 MET 1 -10.743 2.752 -7.444 4 HB3 MET 1 HB3 MET 1 -10.041 3.677 -6.125 5 HG2 MET 1 HG2 MET 1 -10.125 1.798 -4.951 6 HG3 MET 1 HG3 MET 1 -11.863 2.067 -4.850 7 HE1 MET 1 HE1 MET 1 -9.722 -0.821 -7.726 8 HE2 MET 1 HE2 MET 1 -9.426 0.918 -7.755 9 HE3 MET 1 HE3 MET 1 -8.980 -0.029 -6.335 10 H SER 2 H SER 2 -10.316 5.353 -7.591 11 HA SER 2 HA SER 2 -10.979 7.873 -6.256 12 HB2 SER 2 HB2 SER 2 -8.760 6.288 -5.530 13 HB3 SER 2 HB3 SER 2 -8.115 7.638 -6.465 14 HG SER 2 HG SER 2 -8.949 9.052 -5.018 15 H GLU 3 H GLU 3 -10.485 9.717 -7.427 16 HA GLU 3 HA GLU 3 -9.118 9.430 -9.987 17 HB2 GLU 3 HB2 GLU 3 -12.009 10.166 -9.659 18 HB3 GLU 3 HB3 GLU 3 -11.078 10.806 -11.006 19 HG2 GLU 3 HG2 GLU 3 -11.203 7.867 -10.438 20 HG3 GLU 3 HG3 GLU 3 -12.438 8.687 -11.394 21 H GLN 4 H GLN 4 -7.617 10.693 -8.613 22 HA GLN 4 HA GLN 4 -8.066 13.533 -9.050 23 HB2 GLN 4 HB2 GLN 4 -7.578 12.321 -6.334 24 HB3 GLN 4 HB3 GLN 4 -7.231 14.008 -6.689 25 HG2 GLN 4 HG2 GLN 4 -9.703 14.043 -7.519 26 HG3 GLN 4 HG3 GLN 4 -9.855 12.611 -6.502 27 HE21 GLN 4 HE21 GLN 4 -9.525 16.025 -6.595 28 HE22 GLN 4 HE22 GLN 4 -9.647 16.306 -4.894 29 H LYS 5 H LYS 5 -6.163 14.757 -9.160 30 HA LYS 5 HA LYS 5 -3.696 13.151 -9.302 31 HB2 LYS 5 HB2 LYS 5 -4.704 14.213 -11.440 32 HB3 LYS 5 HB3 LYS 5 -4.105 15.732 -10.786 33 HG2 LYS 5 HG2 LYS 5 -2.272 15.212 -11.971 34 HG3 LYS 5 HG3 LYS 5 -1.891 14.215 -10.566 35 HD2 LYS 5 HD2 LYS 5 -3.486 13.153 -12.880 36 HD3 LYS 5 HD3 LYS 5 -1.721 13.123 -12.873 37 HE2 LYS 5 HE2 LYS 5 -2.373 12.103 -10.402 38 HE3 LYS 5 HE3 LYS 5 -3.634 11.446 -11.445 39 HZ1 LYS 5 HZ1 LYS 5 -1.134 11.224 -12.727 40 HZ2 LYS 5 HZ2 LYS 5 -2.197 9.995 -12.260 41 HZ3 LYS 5 HZ3 LYS 5 -1.021 10.552 -11.179 42 H LYS 6 H LYS 6 -2.432 13.538 -7.613 43 HA LYS 6 HA LYS 6 -2.590 15.986 -6.114 44 HB2 LYS 6 HB2 LYS 6 -0.501 13.834 -5.812 45 HB3 LYS 6 HB3 LYS 6 -1.054 14.980 -4.599 46 HG2 LYS 6 HG2 LYS 6 -2.628 12.687 -5.754 47 HG3 LYS 6 HG3 LYS 6 -1.944 12.792 -4.130 48 HD2 LYS 6 HD2 LYS 6 -3.500 15.103 -4.462 49 HD3 LYS 6 HD3 LYS 6 -4.460 13.775 -5.118 50 HE2 LYS 6 HE2 LYS 6 -3.791 12.542 -2.941 51 HE3 LYS 6 HE3 LYS 6 -3.396 14.153 -2.344 52 HZ1 LYS 6 HZ1 LYS 6 -5.828 13.032 -2.197 53 HZ2 LYS 6 HZ2 LYS 6 -5.981 13.944 -3.614 54 HZ3 LYS 6 HZ3 LYS 6 -5.544 14.700 -2.166 55 H VAL 7 H VAL 7 -0.542 14.664 -8.597 56 HA VAL 7 HA VAL 7 0.939 17.196 -8.663 57 HB VAL 7 HB VAL 7 3.045 16.029 -9.125 58 HG11 VAL 7 HG11 VAL 7 2.073 16.571 -6.738 59 HG12 VAL 7 HG12 VAL 7 2.117 14.815 -6.570 60 HG13 VAL 7 HG13 VAL 7 3.597 15.707 -6.927 61 HG21 VAL 7 HG21 VAL 7 2.680 13.962 -10.000 62 HG22 VAL 7 HG22 VAL 7 2.909 13.495 -8.315 63 HG23 VAL 7 HG23 VAL 7 1.280 13.652 -8.972 64 H LEU 8 H LEU 8 1.591 17.869 -10.699 65 HA LEU 8 HA LEU 8 0.012 17.043 -12.876 66 HB2 LEU 8 HB2 LEU 8 1.537 18.479 -14.225 67 HB3 LEU 8 HB3 LEU 8 0.827 19.272 -12.821 68 HG LEU 8 HG LEU 8 3.464 18.104 -12.315 69 HD11 LEU 8 HD11 LEU 8 3.443 19.009 -14.768 70 HD12 LEU 8 HD12 LEU 8 4.771 19.408 -13.679 71 HD13 LEU 8 HD13 LEU 8 3.490 20.582 -13.973 72 HD21 LEU 8 HD21 LEU 8 3.599 19.802 -10.843 73 HD22 LEU 8 HD22 LEU 8 1.857 19.903 -11.097 74 HD23 LEU 8 HD23 LEU 8 2.940 20.980 -11.979 75 H THR 9 H THR 9 0.236 14.877 -13.323 76 HA THR 9 HA THR 9 2.900 13.985 -14.214 77 HB THR 9 HB THR 9 0.828 11.927 -13.801 78 HG1 THR 9 HG1 THR 9 1.098 12.031 -11.504 79 HG21 THR 9 HG21 THR 9 3.627 12.094 -13.974 80 HG22 THR 9 HG22 THR 9 2.655 10.655 -13.676 81 HG23 THR 9 HG23 THR 9 3.270 11.599 -12.319 82 H ALA 10 H ALA 10 2.739 12.192 -15.922 83 HA ALA 10 HA ALA 10 1.777 13.217 -18.293 84 HB1 ALA 10 HB1 ALA 10 3.429 11.493 -18.313 85 HB2 ALA 10 HB2 ALA 10 2.327 10.353 -17.542 86 HB3 ALA 10 HB3 ALA 10 2.018 10.899 -19.190 87 H GLU 11 H GLU 11 0.183 11.012 -16.039 88 HA GLU 11 HA GLU 11 -2.013 10.273 -17.562 89 HB2 GLU 11 HB2 GLU 11 -1.572 10.619 -14.620 90 HB3 GLU 11 HB3 GLU 11 -3.186 10.259 -15.217 91 HG2 GLU 11 HG2 GLU 11 -0.821 8.579 -15.967 92 HG3 GLU 11 HG3 GLU 11 -1.723 8.309 -14.477 93 H GLU 12 H GLU 12 -1.643 13.099 -15.436 94 HA GLU 12 HA GLU 12 -4.211 14.157 -15.810 95 HB2 GLU 12 HB2 GLU 12 -2.911 15.012 -14.020 96 HB3 GLU 12 HB3 GLU 12 -1.580 15.433 -15.087 97 HG2 GLU 12 HG2 GLU 12 -2.453 17.421 -15.581 98 HG3 GLU 12 HG3 GLU 12 -4.075 16.762 -15.785 99 H GLN 13 H GLN 13 -1.163 14.903 -17.491 100 HA GLN 13 HA GLN 13 -2.058 16.863 -19.211 101 HB2 GLN 13 HB2 GLN 13 0.276 15.420 -18.899 102 HB3 GLN 13 HB3 GLN 13 -0.251 14.973 -20.516 103 HG2 GLN 13 HG2 GLN 13 0.094 17.046 -21.356 104 HG3 GLN 13 HG3 GLN 13 -0.308 17.849 -19.840 105 HE21 GLN 13 HE21 GLN 13 2.124 17.226 -21.931 106 HE22 GLN 13 HE22 GLN 13 3.479 17.391 -20.872 107 H GLN 14 H GLN 14 -1.985 13.354 -19.830 108 HA GLN 14 HA GLN 14 -3.218 13.459 -22.348 109 HB2 GLN 14 HB2 GLN 14 -3.476 11.159 -20.419 110 HB3 GLN 14 HB3 GLN 14 -3.471 11.104 -22.177 111 HG2 GLN 14 HG2 GLN 14 -1.041 12.277 -21.470 112 HG3 GLN 14 HG3 GLN 14 -1.275 10.951 -20.331 113 HE21 GLN 14 HE21 GLN 14 -0.868 8.942 -20.985 114 HE22 GLN 14 HE22 GLN 14 -0.521 8.473 -22.610 115 H GLU 15 H GLU 15 -4.549 13.221 -19.094 116 HA GLU 15 HA GLU 15 -7.205 12.648 -19.779 117 HB2 GLU 15 HB2 GLU 15 -5.760 13.567 -17.413 118 HB3 GLU 15 HB3 GLU 15 -7.394 14.210 -17.507 119 HG2 GLU 15 HG2 GLU 15 -7.208 11.352 -18.080 120 HG3 GLU 15 HG3 GLU 15 -6.705 11.798 -16.451 121 H TYR 16 H TYR 16 -5.493 15.721 -19.465 122 HA TYR 16 HA TYR 16 -7.804 17.343 -19.876 123 HB2 TYR 16 HB2 TYR 16 -4.874 17.791 -19.674 124 HB3 TYR 16 HB3 TYR 16 -5.811 19.022 -20.513 125 HD1 TYR 16 HD1 TYR 16 -5.367 17.272 -17.292 126 HD2 TYR 16 HD2 TYR 16 -7.231 20.516 -19.319 127 HE1 TYR 16 HE1 TYR 16 -6.010 18.246 -15.127 128 HE2 TYR 16 HE2 TYR 16 -7.878 21.500 -17.159 129 HH TYR 16 HH TYR 16 -8.267 20.280 -14.624 130 H LYS 17 H LYS 17 -5.178 16.202 -21.959 131 HA LYS 17 HA LYS 17 -5.963 17.600 -24.280 132 HB2 LYS 17 HB2 LYS 17 -4.497 14.961 -24.168 133 HB3 LYS 17 HB3 LYS 17 -4.467 16.136 -25.477 134 HG2 LYS 17 HG2 LYS 17 -3.657 17.399 -23.040 135 HG3 LYS 17 HG3 LYS 17 -2.712 15.930 -23.297 136 HD2 LYS 17 HD2 LYS 17 -2.663 16.966 -25.785 137 HD3 LYS 17 HD3 LYS 17 -2.767 18.449 -24.835 138 HE2 LYS 17 HE2 LYS 17 -0.852 16.547 -23.750 139 HE3 LYS 17 HE3 LYS 17 -0.470 17.026 -25.403 140 HZ1 LYS 17 HZ1 LYS 17 -0.132 18.492 -23.016 141 HZ2 LYS 17 HZ2 LYS 17 -1.176 19.337 -24.045 142 HZ3 LYS 17 HZ3 LYS 17 0.363 18.891 -24.584 143 H GLU 18 H GLU 18 -6.755 14.376 -23.059 144 HA GLU 18 HA GLU 18 -8.316 13.660 -25.351 145 HB2 GLU 18 HB2 GLU 18 -8.796 11.647 -24.223 146 HB3 GLU 18 HB3 GLU 18 -7.157 12.062 -23.740 147 HG2 GLU 18 HG2 GLU 18 -7.999 12.964 -21.635 148 HG3 GLU 18 HG3 GLU 18 -9.644 12.555 -22.117 149 H ALA 19 H ALA 19 -8.945 15.149 -22.251 150 HA ALA 19 HA ALA 19 -11.736 14.841 -22.171 151 HB1 ALA 19 HB1 ALA 19 -10.551 15.515 -20.202 152 HB2 ALA 19 HB2 ALA 19 -9.967 16.979 -20.996 153 HB3 ALA 19 HB3 ALA 19 -11.683 16.798 -20.631 154 H PHE 20 H PHE 20 -9.756 17.550 -23.367 155 HA PHE 20 HA PHE 20 -12.016 19.000 -24.347 156 HB2 PHE 20 HB2 PHE 20 -10.545 20.683 -24.698 157 HB3 PHE 20 HB3 PHE 20 -9.448 19.683 -23.752 158 HD1 PHE 20 HD1 PHE 20 -10.310 20.872 -27.096 159 HD2 PHE 20 HD2 PHE 20 -7.643 18.473 -24.806 160 HE1 PHE 20 HE1 PHE 20 -8.759 20.783 -29.004 161 HE2 PHE 20 HE2 PHE 20 -6.087 18.380 -26.709 162 HZ PHE 20 HZ PHE 20 -6.644 19.535 -28.812 163 H GLN 21 H GLN 21 -9.730 16.721 -25.704 164 HA GLN 21 HA GLN 21 -10.301 17.166 -28.430 165 HB2 GLN 21 HB2 GLN 21 -8.322 15.963 -27.880 166 HB3 GLN 21 HB3 GLN 21 -9.221 14.775 -26.946 167 HG2 GLN 21 HG2 GLN 21 -10.277 13.971 -29.007 168 HG3 GLN 21 HG3 GLN 21 -9.335 15.140 -29.931 169 HE21 GLN 21 HE21 GLN 21 -8.352 13.506 -31.126 170 HE22 GLN 21 HE22 GLN 21 -7.126 12.491 -30.454 171 H LEU 22 H LEU 22 -11.633 14.861 -26.081 172 HA LEU 22 HA LEU 22 -13.400 13.599 -27.899 173 HB2 LEU 22 HB2 LEU 22 -12.818 12.445 -25.912 174 HB3 LEU 22 HB3 LEU 22 -13.341 13.789 -24.899 175 HG LEU 22 HG LEU 22 -15.589 12.917 -26.392 176 HD11 LEU 22 HD11 LEU 22 -14.007 10.689 -25.130 177 HD12 LEU 22 HD12 LEU 22 -14.574 10.806 -26.795 178 HD13 LEU 22 HD13 LEU 22 -15.733 10.587 -25.482 179 HD21 LEU 22 HD21 LEU 22 -14.932 12.470 -23.484 180 HD22 LEU 22 HD22 LEU 22 -16.534 12.555 -24.218 181 HD23 LEU 22 HD23 LEU 22 -15.517 13.995 -24.151 182 H PHE 23 H PHE 23 -13.646 16.443 -25.879 183 HA PHE 23 HA PHE 23 -16.484 16.745 -26.480 184 HB2 PHE 23 HB2 PHE 23 -14.618 17.840 -24.486 185 HB3 PHE 23 HB3 PHE 23 -15.778 19.008 -25.111 186 HD1 PHE 23 HD1 PHE 23 -15.376 15.862 -23.268 187 HD2 PHE 23 HD2 PHE 23 -18.107 18.843 -24.599 188 HE1 PHE 23 HE1 PHE 23 -17.090 14.966 -21.746 189 HE2 PHE 23 HE2 PHE 23 -19.825 17.953 -23.078 190 HZ PHE 23 HZ PHE 23 -19.317 16.011 -21.650 191 H ASP 24 H ASP 24 -14.106 17.077 -28.399 192 HA ASP 24 HA ASP 24 -15.068 19.594 -29.562 193 HB2 ASP 24 HB2 ASP 24 -12.888 19.967 -28.370 194 HB3 ASP 24 HB3 ASP 24 -12.147 18.825 -29.486 195 H LYS 25 H LYS 25 -16.270 17.758 -30.681 196 HA LYS 25 HA LYS 25 -14.834 16.143 -32.551 197 HB2 LYS 25 HB2 LYS 25 -17.151 15.709 -31.509 198 HB3 LYS 25 HB3 LYS 25 -17.764 16.805 -32.739 199 HG2 LYS 25 HG2 LYS 25 -18.053 14.680 -33.649 200 HG3 LYS 25 HG3 LYS 25 -16.591 15.291 -34.426 201 HD2 LYS 25 HD2 LYS 25 -16.135 13.832 -31.919 202 HD3 LYS 25 HD3 LYS 25 -16.810 12.859 -33.227 203 HE2 LYS 25 HE2 LYS 25 -14.612 14.635 -34.022 204 HE3 LYS 25 HE3 LYS 25 -14.160 13.375 -32.874 205 HZ1 LYS 25 HZ1 LYS 25 -13.867 12.540 -35.072 206 HZ2 LYS 25 HZ2 LYS 25 -15.430 12.997 -35.530 207 HZ3 LYS 25 HZ3 LYS 25 -15.208 11.754 -34.406 208 H ASP 26 H ASP 26 -16.091 19.350 -32.567 209 HA ASP 26 HA ASP 26 -16.158 19.584 -35.447 210 HB2 ASP 26 HB2 ASP 26 -16.807 21.876 -35.076 211 HB3 ASP 26 HB3 ASP 26 -17.709 20.855 -33.958 212 H ASN 27 H ASN 27 -13.724 19.455 -33.236 213 HA ASN 27 HA ASN 27 -11.503 19.942 -33.300 214 HB2 ASN 27 HB2 ASN 27 -12.043 19.276 -35.813 215 HB3 ASN 27 HB3 ASN 27 -11.671 20.974 -36.095 216 HD21 ASN 27 HD21 ASN 27 -9.651 21.363 -36.593 217 HD22 ASN 27 HD22 ASN 27 -8.278 20.433 -36.105 218 H ASP 28 H ASP 28 -13.325 21.919 -32.383 219 HA ASP 28 HA ASP 28 -12.642 24.483 -33.426 220 HB2 ASP 28 HB2 ASP 28 -14.529 23.463 -31.610 221 HB3 ASP 28 HB3 ASP 28 -13.539 24.586 -30.683 222 H ASN 29 H ASN 29 -11.143 22.318 -31.229 223 HA ASN 29 HA ASN 29 -9.200 22.415 -30.052 224 HB2 ASN 29 HB2 ASN 29 -8.739 23.950 -32.293 225 HB3 ASN 29 HB3 ASN 29 -8.313 25.050 -30.984 226 HD21 ASN 29 HD21 ASN 29 -6.440 24.153 -32.778 227 HD22 ASN 29 HD22 ASN 29 -5.326 23.107 -31.972 228 H LYS 30 H LYS 30 -11.747 24.017 -29.336 229 HA LYS 30 HA LYS 30 -10.606 25.202 -26.936 230 HB2 LYS 30 HB2 LYS 30 -10.647 27.129 -28.352 231 HB3 LYS 30 HB3 LYS 30 -12.264 26.746 -28.931 232 HG2 LYS 30 HG2 LYS 30 -13.280 27.503 -27.016 233 HG3 LYS 30 HG3 LYS 30 -11.842 27.248 -26.024 234 HD2 LYS 30 HD2 LYS 30 -11.859 29.293 -28.217 235 HD3 LYS 30 HD3 LYS 30 -12.524 29.665 -26.624 236 HE2 LYS 30 HE2 LYS 30 -10.029 28.423 -26.199 237 HE3 LYS 30 HE3 LYS 30 -9.793 29.613 -27.479 238 HZ1 LYS 30 HZ1 LYS 30 -9.535 30.974 -25.718 239 HZ2 LYS 30 HZ2 LYS 30 -10.456 30.011 -24.675 240 HZ3 LYS 30 HZ3 LYS 30 -11.224 31.042 -25.773 241 H LEU 31 H LEU 31 -12.085 25.393 -25.215 242 HA LEU 31 HA LEU 31 -14.622 23.956 -25.643 243 HB2 LEU 31 HB2 LEU 31 -12.513 23.689 -23.627 244 HB3 LEU 31 HB3 LEU 31 -14.145 23.748 -22.963 245 HG LEU 31 HG LEU 31 -14.765 21.832 -24.386 246 HD11 LEU 31 HD11 LEU 31 -11.899 22.056 -25.242 247 HD12 LEU 31 HD12 LEU 31 -13.347 21.965 -26.242 248 HD13 LEU 31 HD13 LEU 31 -12.793 20.541 -25.362 249 HD21 LEU 31 HD21 LEU 31 -13.951 20.278 -22.924 250 HD22 LEU 31 HD22 LEU 31 -13.593 21.751 -22.022 251 HD23 LEU 31 HD23 LEU 31 -12.320 20.950 -22.942 252 H THR 32 H THR 32 -16.373 24.532 -24.142 253 HA THR 32 HA THR 32 -16.337 27.418 -23.583 254 HB THR 32 HB THR 32 -18.699 27.451 -23.825 255 HG1 THR 32 HG1 THR 32 -19.918 25.719 -23.547 256 HG21 THR 32 HG21 THR 32 -17.064 26.812 -25.896 257 HG22 THR 32 HG22 THR 32 -18.777 27.195 -26.066 258 HG23 THR 32 HG23 THR 32 -18.252 25.512 -25.994 259 H ALA 33 H ALA 33 -17.984 28.001 -21.772 260 HA ALA 33 HA ALA 33 -16.979 27.217 -19.334 261 HB1 ALA 33 HB1 ALA 33 -19.625 28.396 -20.109 262 HB2 ALA 33 HB2 ALA 33 -19.234 28.041 -18.425 263 HB3 ALA 33 HB3 ALA 33 -18.243 29.177 -19.340 264 H GLU 34 H GLU 34 -19.853 25.946 -20.996 265 HA GLU 34 HA GLU 34 -20.615 24.129 -18.990 266 HB2 GLU 34 HB2 GLU 34 -21.480 24.830 -21.604 267 HB3 GLU 34 HB3 GLU 34 -21.288 23.083 -21.564 268 HG2 GLU 34 HG2 GLU 34 -22.893 22.813 -19.917 269 HG3 GLU 34 HG3 GLU 34 -22.780 24.492 -19.393 270 H GLU 35 H GLU 35 -18.528 23.756 -21.828 271 HA GLU 35 HA GLU 35 -18.071 20.993 -21.564 272 HB2 GLU 35 HB2 GLU 35 -16.223 23.077 -22.739 273 HB3 GLU 35 HB3 GLU 35 -16.153 21.345 -23.032 274 HG2 GLU 35 HG2 GLU 35 -18.400 21.470 -24.054 275 HG3 GLU 35 HG3 GLU 35 -18.360 23.220 -23.848 276 H LEU 36 H LEU 36 -16.175 23.782 -20.431 277 HA LEU 36 HA LEU 36 -14.087 22.376 -19.239 278 HB2 LEU 36 HB2 LEU 36 -13.746 24.658 -19.456 279 HB3 LEU 36 HB3 LEU 36 -15.315 25.058 -18.761 280 HG LEU 36 HG LEU 36 -14.451 24.359 -16.540 281 HD11 LEU 36 HD11 LEU 36 -11.759 24.477 -16.687 282 HD12 LEU 36 HD12 LEU 36 -12.129 23.639 -18.194 283 HD13 LEU 36 HD13 LEU 36 -12.683 22.975 -16.658 284 HD21 LEU 36 HD21 LEU 36 -14.459 26.686 -17.031 285 HD22 LEU 36 HD22 LEU 36 -13.012 26.546 -18.029 286 HD23 LEU 36 HD23 LEU 36 -12.904 26.320 -16.283 287 H GLY 37 H GLY 37 -17.220 23.360 -17.909 288 HA2 GLY 37 HA2 GLY 37 -16.798 22.578 -15.256 289 HA3 GLY 37 HA3 GLY 37 -18.365 22.660 -16.048 290 H THR 38 H THR 38 -17.593 20.681 -18.084 291 HA THR 38 HA THR 38 -18.401 18.344 -16.660 292 HB THR 38 HB THR 38 -17.454 18.649 -19.517 293 HG1 THR 38 HG1 THR 38 -19.409 19.761 -19.021 294 HG21 THR 38 HG21 THR 38 -19.184 16.435 -19.188 295 HG22 THR 38 HG22 THR 38 -17.927 16.301 -17.960 296 HG23 THR 38 HG23 THR 38 -17.486 16.427 -19.664 297 H VAL 39 H VAL 39 -15.388 19.330 -18.266 298 HA VAL 39 HA VAL 39 -13.986 16.936 -17.600 299 HB VAL 39 HB VAL 39 -13.287 18.270 -19.509 300 HG11 VAL 39 HG11 VAL 39 -12.591 20.390 -17.479 301 HG12 VAL 39 HG12 VAL 39 -12.182 20.444 -19.195 302 HG13 VAL 39 HG13 VAL 39 -13.872 20.479 -18.687 303 HG21 VAL 39 HG21 VAL 39 -10.933 18.192 -19.164 304 HG22 VAL 39 HG22 VAL 39 -11.120 18.384 -17.421 305 HG23 VAL 39 HG23 VAL 39 -11.640 16.892 -18.205 306 H MET 40 H MET 40 -14.411 20.060 -16.077 307 HA MET 40 HA MET 40 -12.314 19.807 -14.181 308 HB2 MET 40 HB2 MET 40 -13.233 21.984 -14.698 309 HB3 MET 40 HB3 MET 40 -14.830 21.482 -14.156 310 HG2 MET 40 HG2 MET 40 -14.212 21.504 -11.914 311 HG3 MET 40 HG3 MET 40 -12.492 21.447 -12.291 312 HE1 MET 40 HE1 MET 40 -11.141 24.462 -12.236 313 HE2 MET 40 HE2 MET 40 -11.983 24.382 -10.688 314 HE3 MET 40 HE3 MET 40 -11.365 22.907 -11.433 315 H ARG 41 H ARG 41 -15.769 19.041 -14.112 316 HA ARG 41 HA ARG 41 -15.756 18.215 -11.374 317 HB2 ARG 41 HB2 ARG 41 -18.023 17.540 -11.734 318 HB3 ARG 41 HB3 ARG 41 -17.775 19.044 -12.613 319 HG2 ARG 41 HG2 ARG 41 -17.618 17.865 -14.698 320 HG3 ARG 41 HG3 ARG 41 -17.671 16.309 -13.866 321 HD2 ARG 41 HD2 ARG 41 -19.916 17.972 -13.130 322 HD3 ARG 41 HD3 ARG 41 -19.829 17.757 -14.878 323 HE ARG 41 HE ARG 41 -19.495 15.246 -13.886 324 HH11 ARG 41 HH11 ARG 41 -21.900 17.728 -13.475 325 HH12 ARG 41 HH12 ARG 41 -23.195 16.611 -13.201 326 HH21 ARG 41 HH21 ARG 41 -21.191 13.764 -13.528 327 HH22 ARG 41 HH22 ARG 41 -22.791 14.356 -13.231 328 H ALA 42 H ALA 42 -15.284 16.642 -14.462 329 HA ALA 42 HA ALA 42 -15.521 13.969 -13.484 330 HB1 ALA 42 HB1 ALA 42 -14.796 13.274 -15.631 331 HB2 ALA 42 HB2 ALA 42 -15.814 14.694 -15.877 332 HB3 ALA 42 HB3 ALA 42 -14.058 14.842 -15.966 333 H LEU 43 H LEU 43 -13.227 16.306 -12.950 334 HA LEU 43 HA LEU 43 -11.054 14.346 -12.653 335 HB2 LEU 43 HB2 LEU 43 -10.837 16.546 -14.025 336 HB3 LEU 43 HB3 LEU 43 -10.675 17.305 -12.443 337 HG LEU 43 HG LEU 43 -8.857 15.183 -12.424 338 HD11 LEU 43 HD11 LEU 43 -8.132 16.731 -14.832 339 HD12 LEU 43 HD12 LEU 43 -9.370 15.493 -15.033 340 HD13 LEU 43 HD13 LEU 43 -7.782 15.055 -14.406 341 HD21 LEU 43 HD21 LEU 43 -8.484 18.143 -12.870 342 HD22 LEU 43 HD22 LEU 43 -7.190 17.017 -12.455 343 HD23 LEU 43 HD23 LEU 43 -8.513 17.295 -11.322 344 H GLY 44 H GLY 44 -12.983 16.749 -10.977 345 HA2 GLY 44 HA2 GLY 44 -11.512 16.324 -8.490 346 HA3 GLY 44 HA3 GLY 44 -12.797 17.494 -8.751 347 H ALA 45 H ALA 45 -14.722 15.725 -9.844 348 HA ALA 45 HA ALA 45 -16.489 14.488 -9.103 349 HB1 ALA 45 HB1 ALA 45 -14.101 12.916 -8.236 350 HB2 ALA 45 HB2 ALA 45 -15.723 12.364 -7.813 351 HB3 ALA 45 HB3 ALA 45 -15.274 12.568 -9.507 352 H ASN 46 H ASN 46 -17.338 16.119 -7.734 353 HA ASN 46 HA ASN 46 -17.859 15.332 -5.110 354 HB2 ASN 46 HB2 ASN 46 -15.352 16.682 -5.390 355 HB3 ASN 46 HB3 ASN 46 -16.454 17.727 -4.498 356 HD21 ASN 46 HD21 ASN 46 -17.950 15.944 -3.100 357 HD22 ASN 46 HD22 ASN 46 -16.954 15.081 -1.984 358 HA PRO 47 HA PRO 47 -19.464 19.844 -5.702 359 HB2 PRO 47 HB2 PRO 47 -18.598 21.211 -7.882 360 HB3 PRO 47 HB3 PRO 47 -17.751 21.239 -6.331 361 HG2 PRO 47 HG2 PRO 47 -17.161 19.625 -8.782 362 HG3 PRO 47 HG3 PRO 47 -16.039 20.488 -7.714 363 HD2 PRO 47 HD2 PRO 47 -16.428 17.812 -7.561 364 HD3 PRO 47 HD3 PRO 47 -16.043 18.804 -6.140 365 H THR 48 H THR 48 -21.160 20.774 -7.043 366 HA THR 48 HA THR 48 -22.264 18.781 -8.872 367 HB THR 48 HB THR 48 -23.768 21.248 -8.118 368 HG1 THR 48 HG1 THR 48 -24.073 20.593 -6.088 369 HG21 THR 48 HG21 THR 48 -24.433 18.366 -8.672 370 HG22 THR 48 HG22 THR 48 -24.932 19.798 -9.571 371 HG23 THR 48 HG23 THR 48 -25.603 19.484 -7.970 372 H LYS 49 H LYS 49 -23.275 19.458 -10.881 373 HA LYS 49 HA LYS 49 -21.568 21.001 -12.493 374 HB2 LYS 49 HB2 LYS 49 -23.609 19.222 -12.946 375 HB3 LYS 49 HB3 LYS 49 -24.326 20.741 -13.468 376 HG2 LYS 49 HG2 LYS 49 -22.784 21.036 -15.167 377 HG3 LYS 49 HG3 LYS 49 -21.602 19.959 -14.419 378 HD2 LYS 49 HD2 LYS 49 -22.379 18.249 -15.607 379 HD3 LYS 49 HD3 LYS 49 -23.993 18.488 -14.934 380 HE2 LYS 49 HE2 LYS 49 -24.520 18.846 -17.104 381 HE3 LYS 49 HE3 LYS 49 -23.962 20.476 -16.732 382 HZ1 LYS 49 HZ1 LYS 49 -21.818 18.754 -17.502 383 HZ2 LYS 49 HZ2 LYS 49 -22.265 20.260 -18.129 384 HZ3 LYS 49 HZ3 LYS 49 -23.003 18.852 -18.706 385 H GLN 50 H GLN 50 -24.528 21.791 -10.777 386 HA GLN 50 HA GLN 50 -24.934 24.324 -12.003 387 HB2 GLN 50 HB2 GLN 50 -26.794 23.255 -10.934 388 HB3 GLN 50 HB3 GLN 50 -25.927 23.145 -9.407 389 HG2 GLN 50 HG2 GLN 50 -26.220 25.372 -8.920 390 HG3 GLN 50 HG3 GLN 50 -26.444 25.821 -10.610 391 HE21 GLN 50 HE21 GLN 50 -28.034 26.067 -7.988 392 HE22 GLN 50 HE22 GLN 50 -29.631 25.600 -8.451 393 H LYS 51 H LYS 51 -23.332 23.273 -9.029 394 HA LYS 51 HA LYS 51 -22.751 25.840 -8.024 395 HB2 LYS 51 HB2 LYS 51 -21.051 23.388 -7.582 396 HB3 LYS 51 HB3 LYS 51 -21.277 24.757 -6.501 397 HG2 LYS 51 HG2 LYS 51 -23.834 23.706 -6.929 398 HG3 LYS 51 HG3 LYS 51 -22.772 22.316 -6.690 399 HD2 LYS 51 HD2 LYS 51 -22.113 23.040 -4.564 400 HD3 LYS 51 HD3 LYS 51 -22.674 24.689 -4.854 401 HE2 LYS 51 HE2 LYS 51 -24.521 24.109 -3.748 402 HE3 LYS 51 HE3 LYS 51 -24.954 23.169 -5.176 403 HZ1 LYS 51 HZ1 LYS 51 -23.389 21.433 -3.948 404 HZ2 LYS 51 HZ2 LYS 51 -25.051 21.529 -3.648 405 HZ3 LYS 51 HZ3 LYS 51 -23.957 22.269 -2.592 406 H ILE 52 H ILE 52 -20.802 23.596 -9.977 407 HA ILE 52 HA ILE 52 -18.564 25.330 -10.189 408 HB ILE 52 HB ILE 52 -18.348 22.920 -10.542 409 HG12 ILE 52 HG12 ILE 52 -17.696 24.465 -13.060 410 HG13 ILE 52 HG13 ILE 52 -16.735 24.503 -11.586 411 HG21 ILE 52 HG21 ILE 52 -20.603 22.779 -11.734 412 HG22 ILE 52 HG22 ILE 52 -19.722 23.238 -13.191 413 HG23 ILE 52 HG23 ILE 52 -19.300 21.754 -12.336 414 HD11 ILE 52 HD11 ILE 52 -17.312 21.943 -13.033 415 HD12 ILE 52 HD12 ILE 52 -15.954 22.982 -13.463 416 HD13 ILE 52 HD13 ILE 52 -16.052 22.282 -11.847 417 H SER 53 H SER 53 -21.455 24.836 -12.121 418 HA SER 53 HA SER 53 -20.707 26.196 -14.439 419 HB2 SER 53 HB2 SER 53 -23.335 25.633 -13.113 420 HB3 SER 53 HB3 SER 53 -23.283 26.715 -14.504 421 HG SER 53 HG SER 53 -23.323 24.097 -14.536 422 H GLU 54 H GLU 54 -22.028 27.403 -11.396 423 HA GLU 54 HA GLU 54 -22.295 30.101 -12.296 424 HB2 GLU 54 HB2 GLU 54 -23.051 28.623 -10.023 425 HB3 GLU 54 HB3 GLU 54 -21.992 29.898 -9.437 426 HG2 GLU 54 HG2 GLU 54 -24.092 30.688 -11.359 427 HG3 GLU 54 HG3 GLU 54 -24.617 30.214 -9.744 428 H ILE 55 H ILE 55 -19.788 28.249 -10.688 429 HA ILE 55 HA ILE 55 -18.161 30.489 -10.002 430 HB ILE 55 HB ILE 55 -17.396 27.582 -10.298 431 HG12 ILE 55 HG12 ILE 55 -17.870 29.065 -7.722 432 HG13 ILE 55 HG13 ILE 55 -19.195 28.288 -8.581 433 HG21 ILE 55 HG21 ILE 55 -15.894 30.002 -9.502 434 HG22 ILE 55 HG22 ILE 55 -15.635 28.551 -8.535 435 HG23 ILE 55 HG23 ILE 55 -15.333 28.518 -10.272 436 HD11 ILE 55 HD11 ILE 55 -17.447 26.256 -8.503 437 HD12 ILE 55 HD12 ILE 55 -16.991 27.112 -7.029 438 HD13 ILE 55 HD13 ILE 55 -18.653 26.562 -7.252 439 H VAL 56 H VAL 56 -18.358 28.315 -12.758 440 HA VAL 56 HA VAL 56 -15.948 29.185 -14.002 441 HB VAL 56 HB VAL 56 -18.363 27.836 -15.218 442 HG11 VAL 56 HG11 VAL 56 -15.605 28.372 -16.294 443 HG12 VAL 56 HG12 VAL 56 -16.675 27.141 -16.967 444 HG13 VAL 56 HG13 VAL 56 -17.156 28.838 -16.990 445 HG21 VAL 56 HG21 VAL 56 -15.916 26.285 -14.867 446 HG22 VAL 56 HG22 VAL 56 -16.627 26.830 -13.348 447 HG23 VAL 56 HG23 VAL 56 -17.586 25.873 -14.476 448 H LYS 57 H LYS 57 -19.300 30.213 -14.140 449 HA LYS 57 HA LYS 57 -18.972 31.942 -16.390 450 HB2 LYS 57 HB2 LYS 57 -21.115 31.115 -14.637 451 HB3 LYS 57 HB3 LYS 57 -21.156 32.857 -14.879 452 HG2 LYS 57 HG2 LYS 57 -22.447 32.180 -16.626 453 HG3 LYS 57 HG3 LYS 57 -20.863 32.176 -17.404 454 HD2 LYS 57 HD2 LYS 57 -20.841 29.685 -16.491 455 HD3 LYS 57 HD3 LYS 57 -22.590 29.901 -16.583 456 HE2 LYS 57 HE2 LYS 57 -20.727 30.497 -18.871 457 HE3 LYS 57 HE3 LYS 57 -21.493 28.926 -18.633 458 HZ1 LYS 57 HZ1 LYS 57 -23.112 31.390 -18.737 459 HZ2 LYS 57 HZ2 LYS 57 -23.584 29.793 -19.043 460 HZ3 LYS 57 HZ3 LYS 57 -22.623 30.621 -20.163 461 H ASP 58 H ASP 58 -18.556 32.256 -12.948 462 HA ASP 58 HA ASP 58 -18.320 35.153 -13.102 463 HB2 ASP 58 HB2 ASP 58 -19.343 33.694 -11.152 464 HB3 ASP 58 HB3 ASP 58 -17.663 33.606 -10.630 465 H TYR 59 H TYR 59 -16.321 32.335 -13.057 466 HA TYR 59 HA TYR 59 -13.916 33.762 -12.323 467 HB2 TYR 59 HB2 TYR 59 -14.329 31.357 -11.731 468 HB3 TYR 59 HB3 TYR 59 -14.162 30.964 -13.438 469 HD1 TYR 59 HD1 TYR 59 -12.277 32.908 -10.853 470 HD2 TYR 59 HD2 TYR 59 -12.114 30.135 -14.076 471 HE1 TYR 59 HE1 TYR 59 -9.841 32.726 -10.567 472 HE2 TYR 59 HE2 TYR 59 -9.678 29.944 -13.798 473 HH TYR 59 HH TYR 59 -8.054 30.551 -11.344 474 H ASP 60 H ASP 60 -15.593 32.854 -15.214 475 HA ASP 60 HA ASP 60 -13.288 33.540 -16.883 476 HB2 ASP 60 HB2 ASP 60 -15.920 32.191 -17.442 477 HB3 ASP 60 HB3 ASP 60 -14.912 32.807 -18.750 478 H LYS 61 H LYS 61 -14.904 35.489 -15.309 479 HA LYS 61 HA LYS 61 -16.322 37.024 -17.319 480 HB2 LYS 61 HB2 LYS 61 -16.977 38.467 -15.550 481 HB3 LYS 61 HB3 LYS 61 -17.048 36.833 -14.902 482 HG2 LYS 61 HG2 LYS 61 -14.733 37.253 -13.965 483 HG3 LYS 61 HG3 LYS 61 -14.986 38.951 -14.377 484 HD2 LYS 61 HD2 LYS 61 -16.750 39.177 -12.858 485 HD3 LYS 61 HD3 LYS 61 -16.988 37.433 -12.736 486 HE2 LYS 61 HE2 LYS 61 -14.851 37.217 -11.575 487 HE3 LYS 61 HE3 LYS 61 -14.590 38.956 -11.717 488 HZ1 LYS 61 HZ1 LYS 61 -17.016 38.814 -10.546 489 HZ2 LYS 61 HZ2 LYS 61 -15.557 39.041 -9.723 490 HZ3 LYS 61 HZ3 LYS 61 -16.223 37.491 -9.852 491 H ASP 62 H ASP 62 -13.140 36.727 -16.250 492 HA ASP 62 HA ASP 62 -12.337 39.459 -16.655 493 HB2 ASP 62 HB2 ASP 62 -10.115 38.710 -16.205 494 HB3 ASP 62 HB3 ASP 62 -11.180 37.835 -15.107 495 H ASN 63 H ASN 63 -13.128 36.938 -18.704 496 HA ASN 63 HA ASN 63 -12.066 38.363 -20.988 497 HB2 ASN 63 HB2 ASN 63 -11.073 35.659 -20.158 498 HB3 ASN 63 HB3 ASN 63 -11.164 36.067 -21.868 499 HD21 ASN 63 HD21 ASN 63 -10.096 38.125 -22.491 500 HD22 ASN 63 HD22 ASN 63 -8.604 38.520 -21.712 501 H SER 64 H SER 64 -13.132 35.000 -20.545 502 HA SER 64 HA SER 64 -15.796 35.402 -21.361 503 HB2 SER 64 HB2 SER 64 -14.561 35.928 -23.517 504 HB3 SER 64 HB3 SER 64 -14.073 34.234 -23.551 505 HG SER 64 HG SER 64 -16.782 34.804 -23.201 506 H GLY 65 H GLY 65 -16.991 33.429 -21.526 507 HA2 GLY 65 HA2 GLY 65 -15.957 31.362 -19.858 508 HA3 GLY 65 HA3 GLY 65 -17.500 31.342 -20.697 509 H LYS 66 H LYS 66 -14.049 30.721 -21.049 510 HA LYS 66 HA LYS 66 -14.665 28.582 -22.927 511 HB2 LYS 66 HB2 LYS 66 -12.757 30.838 -23.569 512 HB3 LYS 66 HB3 LYS 66 -12.869 29.340 -24.485 513 HG2 LYS 66 HG2 LYS 66 -15.178 31.228 -24.094 514 HG3 LYS 66 HG3 LYS 66 -14.081 31.285 -25.476 515 HD2 LYS 66 HD2 LYS 66 -14.899 29.351 -26.379 516 HD3 LYS 66 HD3 LYS 66 -15.343 28.677 -24.810 517 HE2 LYS 66 HE2 LYS 66 -17.384 29.659 -24.814 518 HE3 LYS 66 HE3 LYS 66 -16.810 31.096 -25.660 519 HZ1 LYS 66 HZ1 LYS 66 -16.708 28.766 -27.308 520 HZ2 LYS 66 HZ2 LYS 66 -17.446 30.260 -27.601 521 HZ3 LYS 66 HZ3 LYS 66 -18.275 29.061 -26.743 522 H PHE 67 H PHE 67 -12.683 27.252 -23.397 523 HA PHE 67 HA PHE 67 -10.644 27.414 -21.308 524 HB2 PHE 67 HB2 PHE 67 -12.700 25.802 -20.816 525 HB3 PHE 67 HB3 PHE 67 -11.788 24.717 -21.860 526 HD1 PHE 67 HD1 PHE 67 -11.083 27.045 -19.026 527 HD2 PHE 67 HD2 PHE 67 -10.430 23.225 -20.785 528 HE1 PHE 67 HE1 PHE 67 -9.664 26.412 -17.117 529 HE2 PHE 67 HE2 PHE 67 -9.011 22.586 -18.880 530 HZ PHE 67 HZ PHE 67 -8.628 24.179 -17.042 531 H ASP 68 H ASP 68 -8.717 27.274 -22.227 532 HA ASP 68 HA ASP 68 -8.457 25.730 -24.724 533 HB2 ASP 68 HB2 ASP 68 -6.501 27.272 -25.198 534 HB3 ASP 68 HB3 ASP 68 -8.095 28.020 -25.258 535 H GLN 69 H GLN 69 -6.861 24.236 -24.884 536 HA GLN 69 HA GLN 69 -5.827 22.983 -22.675 537 HB2 GLN 69 HB2 GLN 69 -4.432 23.094 -25.351 538 HB3 GLN 69 HB3 GLN 69 -4.330 21.813 -24.151 539 HG2 GLN 69 HG2 GLN 69 -5.843 20.816 -25.468 540 HG3 GLN 69 HG3 GLN 69 -6.982 21.834 -24.589 541 HE21 GLN 69 HE21 GLN 69 -8.338 22.928 -25.800 542 HE22 GLN 69 HE22 GLN 69 -8.078 23.428 -27.433 543 H GLU 70 H GLU 70 -4.363 25.580 -24.572 544 HA GLU 70 HA GLU 70 -1.826 25.621 -23.471 545 HB2 GLU 70 HB2 GLU 70 -3.529 27.483 -24.925 546 HB3 GLU 70 HB3 GLU 70 -2.464 28.306 -23.793 547 HG2 GLU 70 HG2 GLU 70 -1.108 26.252 -25.344 548 HG3 GLU 70 HG3 GLU 70 -1.820 27.521 -26.339 549 H THR 71 H THR 71 -4.831 26.940 -22.201 550 HA THR 71 HA THR 71 -3.745 28.430 -20.077 551 HB THR 71 HB THR 71 -6.450 27.104 -20.334 552 HG1 THR 71 HG1 THR 71 -5.975 29.874 -20.462 553 HG21 THR 71 HG21 THR 71 -6.631 27.504 -18.130 554 HG22 THR 71 HG22 THR 71 -6.768 29.198 -18.601 555 HG23 THR 71 HG23 THR 71 -5.206 28.543 -18.107 556 H PHE 72 H PHE 72 -4.936 25.085 -20.215 557 HA PHE 72 HA PHE 72 -4.500 24.489 -17.494 558 HB2 PHE 72 HB2 PHE 72 -5.881 22.929 -18.468 559 HB3 PHE 72 HB3 PHE 72 -4.966 22.899 -19.971 560 HD1 PHE 72 HD1 PHE 72 -4.485 22.032 -16.372 561 HD2 PHE 72 HD2 PHE 72 -3.791 20.991 -20.441 562 HE1 PHE 72 HE1 PHE 72 -3.377 19.957 -15.649 563 HE2 PHE 72 HE2 PHE 72 -2.684 18.914 -19.724 564 HZ PHE 72 HZ PHE 72 -2.476 18.395 -17.326 565 H LEU 73 H LEU 73 -2.472 24.100 -20.365 566 HA LEU 73 HA LEU 73 -0.349 22.766 -19.032 567 HB2 LEU 73 HB2 LEU 73 -0.529 24.264 -21.631 568 HB3 LEU 73 HB3 LEU 73 0.973 23.532 -21.068 569 HG LEU 73 HG LEU 73 -1.195 21.620 -21.031 570 HD11 LEU 73 HD11 LEU 73 -1.995 21.642 -23.146 571 HD12 LEU 73 HD12 LEU 73 -0.515 22.323 -23.819 572 HD13 LEU 73 HD13 LEU 73 -1.672 23.370 -22.997 573 HD21 LEU 73 HD21 LEU 73 1.196 21.525 -22.821 574 HD22 LEU 73 HD22 LEU 73 0.398 20.221 -21.942 575 HD23 LEU 73 HD23 LEU 73 1.395 21.387 -21.074 576 H THR 74 H THR 74 -1.212 26.109 -19.470 577 HA THR 74 HA THR 74 1.352 27.162 -18.720 578 HB THR 74 HB THR 74 -1.352 28.507 -18.878 579 HG1 THR 74 HG1 THR 74 0.882 28.493 -20.653 580 HG21 THR 74 HG21 THR 74 0.596 30.440 -19.177 581 HG22 THR 74 HG22 THR 74 1.221 29.431 -17.873 582 HG23 THR 74 HG23 THR 74 -0.376 30.165 -17.731 583 H ILE 75 H ILE 75 -1.760 26.683 -17.095 584 HA ILE 75 HA ILE 75 -0.933 27.841 -14.627 585 HB ILE 75 HB ILE 75 -2.966 26.875 -13.683 586 HG12 ILE 75 HG12 ILE 75 -3.190 25.464 -16.350 587 HG13 ILE 75 HG13 ILE 75 -2.942 24.704 -14.782 588 HG21 ILE 75 HG21 ILE 75 -4.151 28.514 -14.609 589 HG22 ILE 75 HG22 ILE 75 -2.809 28.745 -15.729 590 HG23 ILE 75 HG23 ILE 75 -4.164 27.709 -16.178 591 HD11 ILE 75 HD11 ILE 75 -5.238 26.161 -14.407 592 HD12 ILE 75 HD12 ILE 75 -5.392 25.584 -16.066 593 HD13 ILE 75 HD13 ILE 75 -5.146 24.433 -14.751 594 H MET 76 H MET 76 -0.935 24.582 -15.947 595 HA MET 76 HA MET 76 -0.214 23.321 -13.477 596 HB2 MET 76 HB2 MET 76 -0.101 21.305 -14.705 597 HB3 MET 76 HB3 MET 76 -1.412 22.224 -15.432 598 HG2 MET 76 HG2 MET 76 -0.392 21.637 -17.342 599 HG3 MET 76 HG3 MET 76 0.614 23.038 -16.982 600 HE1 MET 76 HE1 MET 76 2.452 19.696 -18.486 601 HE2 MET 76 HE2 MET 76 0.945 19.102 -17.788 602 HE3 MET 76 HE3 MET 76 0.940 20.552 -18.792 603 H LEU 77 H LEU 77 1.496 24.722 -16.171 604 HA LEU 77 HA LEU 77 4.038 23.571 -15.481 605 HB2 LEU 77 HB2 LEU 77 3.585 24.126 -17.778 606 HB3 LEU 77 HB3 LEU 77 3.271 25.806 -17.349 607 HG LEU 77 HG LEU 77 5.948 24.887 -16.611 608 HD11 LEU 77 HD11 LEU 77 5.856 23.570 -18.581 609 HD12 LEU 77 HD12 LEU 77 6.752 25.033 -18.985 610 HD13 LEU 77 HD13 LEU 77 5.070 24.862 -19.489 611 HD21 LEU 77 HD21 LEU 77 5.710 27.094 -18.474 612 HD22 LEU 77 HD22 LEU 77 6.364 27.062 -16.836 613 HD23 LEU 77 HD23 LEU 77 4.632 27.276 -17.089 614 H GLU 78 H GLU 78 2.412 26.664 -14.993 615 HA GLU 78 HA GLU 78 4.673 27.922 -13.769 616 HB2 GLU 78 HB2 GLU 78 1.790 28.618 -14.145 617 HB3 GLU 78 HB3 GLU 78 2.731 29.515 -12.962 618 HG2 GLU 78 HG2 GLU 78 3.471 29.214 -15.862 619 HG3 GLU 78 HG3 GLU 78 2.628 30.601 -15.174 620 H TYR 79 H TYR 79 2.011 25.976 -12.669 621 HA TYR 79 HA TYR 79 2.406 26.639 -9.881 622 HB2 TYR 79 HB2 TYR 79 0.157 26.099 -10.790 623 HB3 TYR 79 HB3 TYR 79 0.707 24.459 -11.114 624 HD1 TYR 79 HD1 TYR 79 -0.196 26.866 -8.489 625 HD2 TYR 79 HD2 TYR 79 0.966 22.860 -9.328 626 HE1 TYR 79 HE1 TYR 79 -0.846 26.207 -6.210 627 HE2 TYR 79 HE2 TYR 79 0.319 22.189 -7.051 628 HH TYR 79 HH TYR 79 -0.095 24.226 -4.583 629 H GLY 80 H GLY 80 3.318 24.110 -12.122 630 HA2 GLY 80 HA2 GLY 80 4.140 22.165 -10.256 631 HA3 GLY 80 HA3 GLY 80 4.717 22.302 -11.911 632 H GLN 81 H GLN 81 5.646 25.103 -11.322 633 HA GLN 81 HA GLN 81 8.197 24.314 -10.117 634 HB2 GLN 81 HB2 GLN 81 7.578 26.853 -11.628 635 HB3 GLN 81 HB3 GLN 81 9.164 26.211 -11.223 636 HG2 GLN 81 HG2 GLN 81 8.053 24.159 -12.647 637 HG3 GLN 81 HG3 GLN 81 7.395 25.582 -13.452 638 HE21 GLN 81 HE21 GLN 81 9.002 27.269 -14.032 639 HE22 GLN 81 HE22 GLN 81 10.547 26.745 -14.599 640 H GLU 82 H GLU 82 5.699 24.992 -8.620 641 HA GLU 82 HA GLU 82 6.031 27.538 -7.414 642 HB2 GLU 82 HB2 GLU 82 4.360 26.835 -5.839 643 HB3 GLU 82 HB3 GLU 82 3.903 26.236 -7.427 644 HG2 GLU 82 HG2 GLU 82 3.575 24.301 -6.369 645 HG3 GLU 82 HG3 GLU 82 5.327 24.138 -6.470 646 H VAL 83 H VAL 83 7.372 24.387 -6.802 647 HA VAL 83 HA VAL 83 8.200 24.641 -4.162 648 HB VAL 83 HB VAL 83 9.968 23.016 -4.694 649 HG11 VAL 83 HG11 VAL 83 8.375 21.325 -5.884 650 HG12 VAL 83 HG12 VAL 83 7.981 21.927 -4.272 651 HG13 VAL 83 HG13 VAL 83 7.184 22.609 -5.690 652 HG21 VAL 83 HG21 VAL 83 10.230 22.199 -6.995 653 HG22 VAL 83 HG22 VAL 83 9.118 23.448 -7.555 654 HG23 VAL 83 HG23 VAL 83 10.668 23.901 -6.849 655 H ASP 84 H ASP 84 9.416 26.151 -7.031 656 HA ASP 84 HA ASP 84 11.096 27.639 -7.421 657 HB2 ASP 84 HB2 ASP 84 10.955 28.206 -4.456 658 HB3 ASP 84 HB3 ASP 84 11.497 29.295 -5.730 659 H SER 85 H SER 85 13.290 28.487 -6.067 660 HA SER 85 HA SER 85 15.149 26.486 -6.456 661 HB2 SER 85 HB2 SER 85 15.162 29.171 -5.475 662 HB3 SER 85 HB3 SER 85 16.172 28.185 -4.418 663 HG SER 85 HG SER 85 16.627 29.016 -6.965 Start of MODEL 17 1 H1 MET 1 H1 MET 1 8.623 -2.715 -8.189 2 HA MET 1 HA MET 1 7.024 -0.932 -9.167 3 HB2 MET 1 HB2 MET 1 5.377 -3.465 -9.208 4 HB3 MET 1 HB3 MET 1 4.717 -1.847 -9.399 5 HG2 MET 1 HG2 MET 1 4.917 -2.389 -11.581 6 HG3 MET 1 HG3 MET 1 6.538 -1.747 -11.323 7 HE1 MET 1 HE1 MET 1 8.003 -3.964 -13.448 8 HE2 MET 1 HE2 MET 1 8.029 -2.487 -12.482 9 HE3 MET 1 HE3 MET 1 8.898 -3.918 -11.929 10 H SER 2 H SER 2 6.734 0.243 -7.401 11 HA SER 2 HA SER 2 5.442 -0.977 -5.072 12 HB2 SER 2 HB2 SER 2 8.119 0.376 -5.128 13 HB3 SER 2 HB3 SER 2 7.114 0.488 -3.683 14 HG SER 2 HG SER 2 6.993 -1.919 -3.931 15 H GLU 3 H GLU 3 6.964 2.178 -5.700 16 HA GLU 3 HA GLU 3 4.467 3.475 -4.900 17 HB2 GLU 3 HB2 GLU 3 7.286 4.501 -5.223 18 HB3 GLU 3 HB3 GLU 3 5.915 5.555 -4.907 19 HG2 GLU 3 HG2 GLU 3 7.018 3.397 -3.133 20 HG3 GLU 3 HG3 GLU 3 6.992 5.136 -2.838 21 H GLN 4 H GLN 4 3.503 5.122 -6.149 22 HA GLN 4 HA GLN 4 4.432 5.492 -8.884 23 HB2 GLN 4 HB2 GLN 4 1.597 4.608 -8.349 24 HB3 GLN 4 HB3 GLN 4 2.373 4.834 -9.911 25 HG2 GLN 4 HG2 GLN 4 3.974 2.980 -9.170 26 HG3 GLN 4 HG3 GLN 4 2.786 2.643 -7.912 27 HE21 GLN 4 HE21 GLN 4 3.788 1.603 -10.771 28 HE22 GLN 4 HE22 GLN 4 2.312 1.005 -11.441 29 H LYS 5 H LYS 5 3.940 7.463 -9.709 30 HA LYS 5 HA LYS 5 2.298 9.227 -8.014 31 HB2 LYS 5 HB2 LYS 5 4.801 9.704 -8.264 32 HB3 LYS 5 HB3 LYS 5 4.438 10.146 -9.928 33 HG2 LYS 5 HG2 LYS 5 3.578 12.122 -9.341 34 HG3 LYS 5 HG3 LYS 5 2.714 11.445 -7.958 35 HD2 LYS 5 HD2 LYS 5 5.691 11.770 -7.882 36 HD3 LYS 5 HD3 LYS 5 4.630 13.142 -7.548 37 HE2 LYS 5 HE2 LYS 5 3.870 10.706 -6.130 38 HE3 LYS 5 HE3 LYS 5 5.483 11.283 -5.714 39 HZ1 LYS 5 HZ1 LYS 5 3.188 12.191 -4.631 40 HZ2 LYS 5 HZ2 LYS 5 3.490 13.359 -5.817 41 HZ3 LYS 5 HZ3 LYS 5 4.654 13.035 -4.633 42 H LYS 6 H LYS 6 0.380 9.631 -8.879 43 HA LYS 6 HA LYS 6 0.124 9.700 -11.806 44 HB2 LYS 6 HB2 LYS 6 -2.350 9.485 -11.306 45 HB3 LYS 6 HB3 LYS 6 -1.361 8.089 -10.900 46 HG2 LYS 6 HG2 LYS 6 -1.752 10.054 -8.741 47 HG3 LYS 6 HG3 LYS 6 -3.188 9.164 -9.251 48 HD2 LYS 6 HD2 LYS 6 -1.078 7.296 -9.069 49 HD3 LYS 6 HD3 LYS 6 -1.015 8.289 -7.611 50 HE2 LYS 6 HE2 LYS 6 -3.484 7.869 -7.356 51 HE3 LYS 6 HE3 LYS 6 -3.343 6.689 -8.657 52 HZ1 LYS 6 HZ1 LYS 6 -2.984 5.303 -6.937 53 HZ2 LYS 6 HZ2 LYS 6 -2.443 6.524 -5.900 54 HZ3 LYS 6 HZ3 LYS 6 -1.394 5.871 -7.055 55 H VAL 7 H VAL 7 1.271 11.931 -10.864 56 HA VAL 7 HA VAL 7 -0.768 13.936 -11.384 57 HB VAL 7 HB VAL 7 0.012 15.359 -9.480 58 HG11 VAL 7 HG11 VAL 7 -2.102 14.145 -9.379 59 HG12 VAL 7 HG12 VAL 7 -1.268 12.734 -8.726 60 HG13 VAL 7 HG13 VAL 7 -1.343 14.228 -7.790 61 HG21 VAL 7 HG21 VAL 7 0.906 13.224 -7.787 62 HG22 VAL 7 HG22 VAL 7 1.936 13.331 -9.215 63 HG23 VAL 7 HG23 VAL 7 1.709 14.743 -8.183 64 H LEU 8 H LEU 8 0.018 15.748 -12.382 65 HA LEU 8 HA LEU 8 1.436 16.945 -13.702 66 HB2 LEU 8 HB2 LEU 8 2.299 17.130 -11.146 67 HB3 LEU 8 HB3 LEU 8 3.747 16.503 -11.930 68 HG LEU 8 HG LEU 8 3.794 18.940 -11.746 69 HD11 LEU 8 HD11 LEU 8 4.445 19.416 -13.986 70 HD12 LEU 8 HD12 LEU 8 3.428 18.123 -14.620 71 HD13 LEU 8 HD13 LEU 8 4.855 17.731 -13.662 72 HD21 LEU 8 HD21 LEU 8 2.029 20.222 -12.159 73 HD22 LEU 8 HD22 LEU 8 1.087 18.753 -12.413 74 HD23 LEU 8 HD23 LEU 8 1.857 19.554 -13.783 75 H THR 9 H THR 9 1.243 14.243 -14.408 76 HA THR 9 HA THR 9 3.971 13.693 -15.382 77 HB THR 9 HB THR 9 2.792 11.281 -15.655 78 HG1 THR 9 HG1 THR 9 1.116 11.099 -14.386 79 HG21 THR 9 HG21 THR 9 4.720 11.003 -14.541 80 HG22 THR 9 HG22 THR 9 3.733 11.104 -13.083 81 HG23 THR 9 HG23 THR 9 4.557 12.540 -13.691 82 H ALA 10 H ALA 10 3.906 12.271 -17.416 83 HA ALA 10 HA ALA 10 2.745 13.685 -19.504 84 HB1 ALA 10 HB1 ALA 10 3.198 11.547 -20.836 85 HB2 ALA 10 HB2 ALA 10 4.570 12.336 -20.058 86 HB3 ALA 10 HB3 ALA 10 3.849 10.902 -19.329 87 H GLU 11 H GLU 11 1.593 10.784 -17.833 88 HA GLU 11 HA GLU 11 -0.559 10.140 -19.462 89 HB2 GLU 11 HB2 GLU 11 0.232 9.607 -16.685 90 HB3 GLU 11 HB3 GLU 11 -1.504 9.549 -16.957 91 HG2 GLU 11 HG2 GLU 11 0.231 8.104 -18.873 92 HG3 GLU 11 HG3 GLU 11 0.055 7.430 -17.254 93 H GLU 12 H GLU 12 -0.302 12.555 -16.912 94 HA GLU 12 HA GLU 12 -3.049 13.212 -16.781 95 HB2 GLU 12 HB2 GLU 12 -1.665 13.877 -14.965 96 HB3 GLU 12 HB3 GLU 12 -0.552 14.723 -16.032 97 HG2 GLU 12 HG2 GLU 12 -1.817 16.579 -16.104 98 HG3 GLU 12 HG3 GLU 12 -3.331 15.679 -16.088 99 H GLN 13 H GLN 13 -0.339 14.679 -18.551 100 HA GLN 13 HA GLN 13 -1.744 16.771 -19.743 101 HB2 GLN 13 HB2 GLN 13 0.850 15.678 -19.906 102 HB3 GLN 13 HB3 GLN 13 0.237 15.739 -21.553 103 HG2 GLN 13 HG2 GLN 13 0.275 17.985 -21.630 104 HG3 GLN 13 HG3 GLN 13 -0.200 18.159 -19.941 105 HE21 GLN 13 HE21 GLN 13 2.257 18.576 -22.100 106 HE22 GLN 13 HE22 GLN 13 3.590 18.643 -21.003 107 H GLN 14 H GLN 14 -1.012 13.547 -21.073 108 HA GLN 14 HA GLN 14 -2.417 13.857 -23.473 109 HB2 GLN 14 HB2 GLN 14 -2.379 11.404 -23.606 110 HB3 GLN 14 HB3 GLN 14 -0.816 12.053 -23.128 111 HG2 GLN 14 HG2 GLN 14 -1.328 11.510 -20.787 112 HG3 GLN 14 HG3 GLN 14 -2.861 10.809 -21.303 113 HE21 GLN 14 HE21 GLN 14 -2.874 8.848 -22.374 114 HE22 GLN 14 HE22 GLN 14 -1.493 7.810 -22.428 115 H GLU 15 H GLU 15 -3.463 12.713 -20.301 116 HA GLU 15 HA GLU 15 -6.022 11.822 -21.042 117 HB2 GLU 15 HB2 GLU 15 -4.695 12.608 -18.503 118 HB3 GLU 15 HB3 GLU 15 -6.453 12.573 -18.506 119 HG2 GLU 15 HG2 GLU 15 -5.044 10.225 -19.629 120 HG3 GLU 15 HG3 GLU 15 -4.985 10.459 -17.882 121 H TYR 16 H TYR 16 -4.844 14.996 -20.038 122 HA TYR 16 HA TYR 16 -7.420 16.219 -19.988 123 HB2 TYR 16 HB2 TYR 16 -4.618 17.091 -19.677 124 HB3 TYR 16 HB3 TYR 16 -5.720 18.314 -20.300 125 HD1 TYR 16 HD1 TYR 16 -4.958 16.135 -17.435 126 HD2 TYR 16 HD2 TYR 16 -7.424 19.275 -18.905 127 HE1 TYR 16 HE1 TYR 16 -5.742 16.583 -15.147 128 HE2 TYR 16 HE2 TYR 16 -8.215 19.732 -16.622 129 HH TYR 16 HH TYR 16 -7.440 17.627 -13.954 130 H LYS 17 H LYS 17 -4.717 16.321 -22.299 131 HA LYS 17 HA LYS 17 -5.837 17.998 -24.198 132 HB2 LYS 17 HB2 LYS 17 -4.064 15.605 -24.724 133 HB3 LYS 17 HB3 LYS 17 -4.307 16.971 -25.805 134 HG2 LYS 17 HG2 LYS 17 -3.485 18.002 -23.302 135 HG3 LYS 17 HG3 LYS 17 -2.408 16.666 -23.716 136 HD2 LYS 17 HD2 LYS 17 -2.417 17.842 -26.076 137 HD3 LYS 17 HD3 LYS 17 -2.857 19.257 -25.118 138 HE2 LYS 17 HE2 LYS 17 -0.736 17.961 -23.774 139 HE3 LYS 17 HE3 LYS 17 -0.292 18.054 -25.478 140 HZ1 LYS 17 HZ1 LYS 17 -0.030 20.052 -23.655 141 HZ2 LYS 17 HZ2 LYS 17 -1.433 20.490 -24.494 142 HZ3 LYS 17 HZ3 LYS 17 0.014 20.239 -25.335 143 H GLU 18 H GLU 18 -6.241 14.513 -23.774 144 HA GLU 18 HA GLU 18 -7.845 14.195 -26.126 145 HB2 GLU 18 HB2 GLU 18 -6.631 12.283 -25.385 146 HB3 GLU 18 HB3 GLU 18 -7.285 12.414 -23.758 147 HG2 GLU 18 HG2 GLU 18 -9.100 11.238 -24.274 148 HG3 GLU 18 HG3 GLU 18 -9.350 12.117 -25.781 149 H ALA 19 H ALA 19 -8.444 14.864 -22.753 150 HA ALA 19 HA ALA 19 -11.163 14.219 -22.606 151 HB1 ALA 19 HB1 ALA 19 -11.251 15.703 -20.685 152 HB2 ALA 19 HB2 ALA 19 -9.779 14.732 -20.648 153 HB3 ALA 19 HB3 ALA 19 -9.709 16.422 -21.148 154 H PHE 20 H PHE 20 -9.627 17.355 -23.329 155 HA PHE 20 HA PHE 20 -12.125 18.611 -23.949 156 HB2 PHE 20 HB2 PHE 20 -10.928 20.559 -24.141 157 HB3 PHE 20 HB3 PHE 20 -9.794 19.625 -23.171 158 HD1 PHE 20 HD1 PHE 20 -10.510 20.966 -26.504 159 HD2 PHE 20 HD2 PHE 20 -7.716 18.851 -24.089 160 HE1 PHE 20 HE1 PHE 20 -8.783 21.288 -28.226 161 HE2 PHE 20 HE2 PHE 20 -5.984 19.170 -25.806 162 HZ PHE 20 HZ PHE 20 -6.516 20.390 -27.879 163 H GLN 21 H GLN 21 -9.600 17.009 -25.764 164 HA GLN 21 HA GLN 21 -10.349 17.899 -28.337 165 HB2 GLN 21 HB2 GLN 21 -8.187 16.944 -28.082 166 HB3 GLN 21 HB3 GLN 21 -8.842 15.472 -27.377 167 HG2 GLN 21 HG2 GLN 21 -9.865 14.908 -29.530 168 HG3 GLN 21 HG3 GLN 21 -9.171 16.369 -30.231 169 HE21 GLN 21 HE21 GLN 21 -8.762 13.123 -29.846 170 HE22 GLN 21 HE22 GLN 21 -7.065 13.010 -30.148 171 H LEU 22 H LEU 22 -11.202 14.993 -26.485 172 HA LEU 22 HA LEU 22 -12.860 13.883 -28.508 173 HB2 LEU 22 HB2 LEU 22 -11.990 12.403 -26.890 174 HB3 LEU 22 HB3 LEU 22 -12.583 13.391 -25.557 175 HG LEU 22 HG LEU 22 -14.802 12.517 -27.137 176 HD11 LEU 22 HD11 LEU 22 -12.802 10.409 -26.388 177 HD12 LEU 22 HD12 LEU 22 -13.629 10.650 -27.927 178 HD13 LEU 22 HD13 LEU 22 -14.525 10.057 -26.528 179 HD21 LEU 22 HD21 LEU 22 -14.678 13.213 -24.711 180 HD22 LEU 22 HD22 LEU 22 -14.001 11.618 -24.380 181 HD23 LEU 22 HD23 LEU 22 -15.625 11.764 -25.053 182 H PHE 23 H PHE 23 -13.395 16.111 -25.867 183 HA PHE 23 HA PHE 23 -16.273 16.019 -26.130 184 HB2 PHE 23 HB2 PHE 23 -14.637 16.654 -24.054 185 HB3 PHE 23 HB3 PHE 23 -15.052 18.259 -24.646 186 HD1 PHE 23 HD1 PHE 23 -17.563 18.750 -24.989 187 HD2 PHE 23 HD2 PHE 23 -16.071 15.541 -22.624 188 HE1 PHE 23 HE1 PHE 23 -19.711 18.635 -23.796 189 HE2 PHE 23 HE2 PHE 23 -18.218 15.421 -21.427 190 HZ PHE 23 HZ PHE 23 -20.041 16.970 -22.012 191 H ASP 24 H ASP 24 -13.749 17.553 -27.728 192 HA ASP 24 HA ASP 24 -15.584 19.604 -28.779 193 HB2 ASP 24 HB2 ASP 24 -13.460 20.295 -27.379 194 HB3 ASP 24 HB3 ASP 24 -12.620 19.985 -28.895 195 H LYS 25 H LYS 25 -16.204 17.943 -30.327 196 HA LYS 25 HA LYS 25 -14.377 16.788 -32.143 197 HB2 LYS 25 HB2 LYS 25 -17.115 16.595 -31.628 198 HB3 LYS 25 HB3 LYS 25 -17.017 17.198 -33.277 199 HG2 LYS 25 HG2 LYS 25 -16.854 15.040 -33.829 200 HG3 LYS 25 HG3 LYS 25 -15.170 15.207 -33.328 201 HD2 LYS 25 HD2 LYS 25 -17.272 14.524 -31.312 202 HD3 LYS 25 HD3 LYS 25 -16.621 13.268 -32.369 203 HE2 LYS 25 HE2 LYS 25 -14.912 15.083 -30.678 204 HE3 LYS 25 HE3 LYS 25 -15.477 13.500 -30.145 205 HZ1 LYS 25 HZ1 LYS 25 -14.068 13.710 -32.711 206 HZ2 LYS 25 HZ2 LYS 25 -14.126 12.420 -31.617 207 HZ3 LYS 25 HZ3 LYS 25 -13.163 13.770 -31.282 208 H ASP 26 H ASP 26 -15.843 19.906 -31.970 209 HA ASP 26 HA ASP 26 -15.663 20.644 -34.691 210 HB2 ASP 26 HB2 ASP 26 -15.458 22.496 -32.313 211 HB3 ASP 26 HB3 ASP 26 -15.994 22.903 -33.941 212 H ASN 27 H ASN 27 -14.228 22.955 -34.837 213 HA ASN 27 HA ASN 27 -11.465 21.983 -34.549 214 HB2 ASN 27 HB2 ASN 27 -12.425 22.449 -36.874 215 HB3 ASN 27 HB3 ASN 27 -12.377 24.153 -36.435 216 HD21 ASN 27 HD21 ASN 27 -10.971 23.936 -38.457 217 HD22 ASN 27 HD22 ASN 27 -9.278 23.731 -38.174 218 H ASP 28 H ASP 28 -13.226 23.540 -32.629 219 HA ASP 28 HA ASP 28 -11.937 26.121 -32.450 220 HB2 ASP 28 HB2 ASP 28 -13.924 24.705 -30.666 221 HB3 ASP 28 HB3 ASP 28 -13.290 26.314 -30.332 222 H ASN 29 H ASN 29 -11.594 22.957 -31.046 223 HA ASN 29 HA ASN 29 -10.077 22.056 -29.611 224 HB2 ASN 29 HB2 ASN 29 -8.666 23.813 -31.255 225 HB3 ASN 29 HB3 ASN 29 -8.120 24.206 -29.627 226 HD21 ASN 29 HD21 ASN 29 -6.283 23.223 -29.232 227 HD22 ASN 29 HD22 ASN 29 -5.889 21.592 -29.642 228 H LYS 30 H LYS 30 -12.127 23.830 -28.573 229 HA LYS 30 HA LYS 30 -10.921 24.343 -25.971 230 HB2 LYS 30 HB2 LYS 30 -12.083 26.430 -27.756 231 HB3 LYS 30 HB3 LYS 30 -12.391 26.555 -26.029 232 HG2 LYS 30 HG2 LYS 30 -10.363 27.361 -25.656 233 HG3 LYS 30 HG3 LYS 30 -9.606 26.027 -26.530 234 HD2 LYS 30 HD2 LYS 30 -8.944 27.762 -27.856 235 HD3 LYS 30 HD3 LYS 30 -10.488 27.388 -28.626 236 HE2 LYS 30 HE2 LYS 30 -11.057 29.159 -26.517 237 HE3 LYS 30 HE3 LYS 30 -9.635 29.805 -27.335 238 HZ1 LYS 30 HZ1 LYS 30 -11.401 28.998 -29.315 239 HZ2 LYS 30 HZ2 LYS 30 -10.982 30.582 -28.890 240 HZ3 LYS 30 HZ3 LYS 30 -12.326 29.842 -28.178 241 H LEU 31 H LEU 31 -12.573 24.740 -24.286 242 HA LEU 31 HA LEU 31 -15.155 23.507 -24.983 243 HB2 LEU 31 HB2 LEU 31 -13.264 22.940 -22.757 244 HB3 LEU 31 HB3 LEU 31 -14.992 22.800 -22.441 245 HG LEU 31 HG LEU 31 -15.212 21.082 -24.111 246 HD11 LEU 31 HD11 LEU 31 -12.930 20.234 -25.079 247 HD12 LEU 31 HD12 LEU 31 -12.439 21.907 -24.818 248 HD13 LEU 31 HD13 LEU 31 -13.811 21.546 -25.864 249 HD21 LEU 31 HD21 LEU 31 -12.758 20.115 -22.797 250 HD22 LEU 31 HD22 LEU 31 -14.381 19.427 -22.826 251 HD23 LEU 31 HD23 LEU 31 -14.006 20.754 -21.727 252 H THR 32 H THR 32 -16.943 24.549 -24.330 253 HA THR 32 HA THR 32 -16.701 27.171 -23.215 254 HB THR 32 HB THR 32 -19.029 27.406 -23.544 255 HG1 THR 32 HG1 THR 32 -20.432 25.729 -23.540 256 HG21 THR 32 HG21 THR 32 -18.312 25.417 -25.683 257 HG22 THR 32 HG22 THR 32 -17.573 27.017 -25.611 258 HG23 THR 32 HG23 THR 32 -19.318 26.859 -25.814 259 H ALA 33 H ALA 33 -18.362 27.779 -21.419 260 HA ALA 33 HA ALA 33 -17.481 26.836 -18.996 261 HB1 ALA 33 HB1 ALA 33 -19.174 28.075 -17.993 262 HB2 ALA 33 HB2 ALA 33 -18.950 28.878 -19.548 263 HB3 ALA 33 HB3 ALA 33 -20.308 27.778 -19.310 264 H GLU 34 H GLU 34 -20.292 25.722 -20.851 265 HA GLU 34 HA GLU 34 -21.271 23.896 -18.956 266 HB2 GLU 34 HB2 GLU 34 -21.482 23.916 -21.969 267 HB3 GLU 34 HB3 GLU 34 -22.364 22.800 -20.938 268 HG2 GLU 34 HG2 GLU 34 -23.493 24.663 -19.858 269 HG3 GLU 34 HG3 GLU 34 -22.591 25.799 -20.860 270 H GLU 35 H GLU 35 -19.081 23.405 -21.716 271 HA GLU 35 HA GLU 35 -18.692 20.651 -21.345 272 HB2 GLU 35 HB2 GLU 35 -16.977 22.770 -22.632 273 HB3 GLU 35 HB3 GLU 35 -16.536 21.067 -22.631 274 HG2 GLU 35 HG2 GLU 35 -18.539 20.508 -23.857 275 HG3 GLU 35 HG3 GLU 35 -19.082 22.183 -23.783 276 H LEU 36 H LEU 36 -16.767 23.424 -20.228 277 HA LEU 36 HA LEU 36 -14.738 22.026 -18.944 278 HB2 LEU 36 HB2 LEU 36 -14.563 24.385 -19.289 279 HB3 LEU 36 HB3 LEU 36 -15.993 24.686 -18.303 280 HG LEU 36 HG LEU 36 -14.416 23.498 -16.474 281 HD11 LEU 36 HD11 LEU 36 -12.672 24.126 -18.656 282 HD12 LEU 36 HD12 LEU 36 -12.300 23.353 -17.116 283 HD13 LEU 36 HD13 LEU 36 -12.254 25.110 -17.254 284 HD21 LEU 36 HD21 LEU 36 -14.322 26.419 -17.222 285 HD22 LEU 36 HD22 LEU 36 -13.937 25.729 -15.645 286 HD23 LEU 36 HD23 LEU 36 -15.586 25.646 -16.264 287 H GLY 37 H GLY 37 -17.960 22.899 -17.806 288 HA2 GLY 37 HA2 GLY 37 -17.630 22.216 -15.101 289 HA3 GLY 37 HA3 GLY 37 -19.159 22.233 -15.967 290 H THR 38 H THR 38 -18.339 20.240 -17.916 291 HA THR 38 HA THR 38 -19.092 17.910 -16.464 292 HB THR 38 HB THR 38 -18.098 18.201 -19.306 293 HG1 THR 38 HG1 THR 38 -20.689 18.070 -18.132 294 HG21 THR 38 HG21 THR 38 -18.527 15.855 -17.715 295 HG22 THR 38 HG22 THR 38 -18.000 15.977 -19.392 296 HG23 THR 38 HG23 THR 38 -19.720 15.916 -19.012 297 H VAL 39 H VAL 39 -16.068 18.959 -18.003 298 HA VAL 39 HA VAL 39 -14.618 16.614 -17.264 299 HB VAL 39 HB VAL 39 -13.917 17.951 -19.178 300 HG11 VAL 39 HG11 VAL 39 -14.569 20.151 -18.309 301 HG12 VAL 39 HG12 VAL 39 -13.223 20.093 -17.170 302 HG13 VAL 39 HG13 VAL 39 -12.909 20.147 -18.905 303 HG21 VAL 39 HG21 VAL 39 -11.900 17.100 -18.805 304 HG22 VAL 39 HG22 VAL 39 -11.509 18.488 -17.791 305 HG23 VAL 39 HG23 VAL 39 -12.226 17.046 -17.072 306 H MET 40 H MET 40 -15.085 19.798 -15.848 307 HA MET 40 HA MET 40 -13.072 19.534 -13.851 308 HB2 MET 40 HB2 MET 40 -14.213 21.678 -14.727 309 HB3 MET 40 HB3 MET 40 -15.500 21.289 -13.594 310 HG2 MET 40 HG2 MET 40 -14.342 22.454 -12.104 311 HG3 MET 40 HG3 MET 40 -13.244 21.077 -12.049 312 HE1 MET 40 HE1 MET 40 -10.220 22.624 -12.223 313 HE2 MET 40 HE2 MET 40 -11.212 21.172 -12.078 314 HE3 MET 40 HE3 MET 40 -10.394 21.532 -13.598 315 H ARG 41 H ARG 41 -16.469 18.701 -14.047 316 HA ARG 41 HA ARG 41 -17.085 18.336 -11.371 317 HB2 ARG 41 HB2 ARG 41 -18.069 17.179 -13.925 318 HB3 ARG 41 HB3 ARG 41 -18.517 16.345 -12.442 319 HG2 ARG 41 HG2 ARG 41 -18.914 19.205 -12.233 320 HG3 ARG 41 HG3 ARG 41 -19.811 18.504 -13.582 321 HD2 ARG 41 HD2 ARG 41 -20.558 16.721 -11.892 322 HD3 ARG 41 HD3 ARG 41 -19.982 17.842 -10.659 323 HE ARG 41 HE ARG 41 -21.681 19.238 -12.384 324 HH11 ARG 41 HH11 ARG 41 -21.824 16.675 -10.033 325 HH12 ARG 41 HH12 ARG 41 -23.464 17.005 -9.580 326 HH21 ARG 41 HH21 ARG 41 -23.839 19.683 -11.796 327 HH22 ARG 41 HH22 ARG 41 -24.609 18.716 -10.585 328 H ALA 42 H ALA 42 -15.284 16.265 -13.559 329 HA ALA 42 HA ALA 42 -15.247 13.912 -12.055 330 HB1 ALA 42 HB1 ALA 42 -14.471 14.044 -14.371 331 HB2 ALA 42 HB2 ALA 42 -13.078 14.993 -13.850 332 HB3 ALA 42 HB3 ALA 42 -13.252 13.320 -13.321 333 H LEU 43 H LEU 43 -13.681 16.929 -11.522 334 HA LEU 43 HA LEU 43 -11.942 15.722 -9.478 335 HB2 LEU 43 HB2 LEU 43 -11.771 18.476 -10.689 336 HB3 LEU 43 HB3 LEU 43 -10.613 17.738 -9.584 337 HG LEU 43 HG LEU 43 -11.155 16.938 -12.442 338 HD11 LEU 43 HD11 LEU 43 -8.500 17.759 -11.391 339 HD12 LEU 43 HD12 LEU 43 -9.702 19.010 -11.704 340 HD13 LEU 43 HD13 LEU 43 -9.185 17.939 -13.007 341 HD21 LEU 43 HD21 LEU 43 -10.453 14.908 -11.858 342 HD22 LEU 43 HD22 LEU 43 -10.037 15.442 -10.229 343 HD23 LEU 43 HD23 LEU 43 -8.876 15.636 -11.543 344 H GLY 44 H GLY 44 -14.578 17.910 -10.026 345 HA2 GLY 44 HA2 GLY 44 -14.449 19.131 -7.415 346 HA3 GLY 44 HA3 GLY 44 -15.736 19.321 -8.596 347 H ALA 45 H ALA 45 -17.373 17.685 -8.728 348 HA ALA 45 HA ALA 45 -18.900 16.244 -7.848 349 HB1 ALA 45 HB1 ALA 45 -16.833 14.768 -7.813 350 HB2 ALA 45 HB2 ALA 45 -16.719 15.147 -6.094 351 HB3 ALA 45 HB3 ALA 45 -18.145 14.320 -6.722 352 H ASN 46 H ASN 46 -19.679 18.330 -6.878 353 HA ASN 46 HA ASN 46 -20.538 17.935 -4.254 354 HB2 ASN 46 HB2 ASN 46 -17.917 19.131 -4.451 355 HB3 ASN 46 HB3 ASN 46 -19.050 20.260 -3.713 356 HD21 ASN 46 HD21 ASN 46 -16.797 18.187 -2.915 357 HD22 ASN 46 HD22 ASN 46 -17.433 17.531 -1.448 358 HA PRO 47 HA PRO 47 -21.673 22.434 -5.576 359 HB2 PRO 47 HB2 PRO 47 -20.470 23.433 -7.796 360 HB3 PRO 47 HB3 PRO 47 -19.789 23.605 -6.173 361 HG2 PRO 47 HG2 PRO 47 -19.090 21.642 -8.323 362 HG3 PRO 47 HG3 PRO 47 -18.014 22.555 -7.249 363 HD2 PRO 47 HD2 PRO 47 -18.650 19.959 -6.813 364 HD3 PRO 47 HD3 PRO 47 -18.329 21.099 -5.490 365 H THR 48 H THR 48 -22.958 23.409 -7.404 366 HA THR 48 HA THR 48 -24.200 21.248 -8.927 367 HB THR 48 HB THR 48 -25.190 24.090 -8.728 368 HG1 THR 48 HG1 THR 48 -25.761 23.678 -6.740 369 HG21 THR 48 HG21 THR 48 -26.218 21.534 -9.787 370 HG22 THR 48 HG22 THR 48 -26.567 23.189 -10.285 371 HG23 THR 48 HG23 THR 48 -27.371 22.506 -8.872 372 H LYS 49 H LYS 49 -24.732 21.502 -11.167 373 HA LYS 49 HA LYS 49 -22.615 22.326 -12.778 374 HB2 LYS 49 HB2 LYS 49 -24.958 20.928 -13.160 375 HB3 LYS 49 HB3 LYS 49 -25.219 22.380 -14.117 376 HG2 LYS 49 HG2 LYS 49 -22.904 20.471 -14.369 377 HG3 LYS 49 HG3 LYS 49 -24.268 20.624 -15.479 378 HD2 LYS 49 HD2 LYS 49 -23.406 23.176 -15.440 379 HD3 LYS 49 HD3 LYS 49 -21.881 22.333 -15.147 380 HE2 LYS 49 HE2 LYS 49 -23.775 21.792 -17.433 381 HE3 LYS 49 HE3 LYS 49 -22.286 22.730 -17.540 382 HZ1 LYS 49 HZ1 LYS 49 -21.104 20.693 -16.763 383 HZ2 LYS 49 HZ2 LYS 49 -21.814 20.550 -18.293 384 HZ3 LYS 49 HZ3 LYS 49 -22.551 19.837 -16.948 385 H GLN 50 H GLN 50 -25.624 23.993 -11.946 386 HA GLN 50 HA GLN 50 -25.236 26.216 -13.646 387 HB2 GLN 50 HB2 GLN 50 -27.337 25.382 -12.275 388 HB3 GLN 50 HB3 GLN 50 -26.716 26.503 -11.069 389 HG2 GLN 50 HG2 GLN 50 -26.642 27.985 -13.377 390 HG3 GLN 50 HG3 GLN 50 -28.105 27.022 -13.570 391 HE21 GLN 50 HE21 GLN 50 -28.069 29.810 -13.277 392 HE22 GLN 50 HE22 GLN 50 -28.854 30.209 -11.791 393 H LYS 51 H LYS 51 -24.066 25.418 -10.464 394 HA LYS 51 HA LYS 51 -23.202 28.071 -9.804 395 HB2 LYS 51 HB2 LYS 51 -23.667 26.638 -7.972 396 HB3 LYS 51 HB3 LYS 51 -22.654 25.354 -8.620 397 HG2 LYS 51 HG2 LYS 51 -20.803 26.188 -7.692 398 HG3 LYS 51 HG3 LYS 51 -21.214 27.847 -8.133 399 HD2 LYS 51 HD2 LYS 51 -22.588 26.388 -5.888 400 HD3 LYS 51 HD3 LYS 51 -21.101 27.308 -5.646 401 HE2 LYS 51 HE2 LYS 51 -22.906 28.925 -7.124 402 HE3 LYS 51 HE3 LYS 51 -23.783 28.249 -5.752 403 HZ1 LYS 51 HZ1 LYS 51 -22.854 29.867 -4.568 404 HZ2 LYS 51 HZ2 LYS 51 -21.762 30.269 -5.796 405 HZ3 LYS 51 HZ3 LYS 51 -21.389 29.033 -4.703 406 H ILE 52 H ILE 52 -21.515 25.091 -10.784 407 HA ILE 52 HA ILE 52 -18.938 26.182 -10.893 408 HB ILE 52 HB ILE 52 -19.270 23.785 -10.932 409 HG12 ILE 52 HG12 ILE 52 -18.114 24.334 -13.637 410 HG13 ILE 52 HG13 ILE 52 -17.334 25.024 -12.219 411 HG21 ILE 52 HG21 ILE 52 -20.433 24.137 -13.691 412 HG22 ILE 52 HG22 ILE 52 -20.201 22.617 -12.829 413 HG23 ILE 52 HG23 ILE 52 -21.367 23.797 -12.234 414 HD11 ILE 52 HD11 ILE 52 -17.773 22.121 -12.845 415 HD12 ILE 52 HD12 ILE 52 -16.241 22.986 -12.719 416 HD13 ILE 52 HD13 ILE 52 -17.220 22.710 -11.277 417 H SER 53 H SER 53 -21.506 26.044 -13.305 418 HA SER 53 HA SER 53 -19.900 27.091 -15.428 419 HB2 SER 53 HB2 SER 53 -22.048 27.311 -16.636 420 HB3 SER 53 HB3 SER 53 -21.861 25.713 -15.913 421 HG SER 53 HG SER 53 -23.045 26.967 -14.064 422 H GLU 54 H GLU 54 -21.970 28.448 -12.959 423 HA GLU 54 HA GLU 54 -22.104 31.063 -14.116 424 HB2 GLU 54 HB2 GLU 54 -23.851 30.312 -12.605 425 HB3 GLU 54 HB3 GLU 54 -22.680 30.090 -11.313 426 HG2 GLU 54 HG2 GLU 54 -22.239 32.505 -11.320 427 HG3 GLU 54 HG3 GLU 54 -23.459 32.708 -12.576 428 H ILE 55 H ILE 55 -20.036 29.448 -11.784 429 HA ILE 55 HA ILE 55 -18.675 31.819 -10.944 430 HB ILE 55 HB ILE 55 -17.977 28.899 -10.654 431 HG12 ILE 55 HG12 ILE 55 -19.946 29.748 -9.389 432 HG13 ILE 55 HG13 ILE 55 -18.637 29.205 -8.344 433 HG21 ILE 55 HG21 ILE 55 -15.875 29.781 -10.495 434 HG22 ILE 55 HG22 ILE 55 -16.454 31.349 -9.939 435 HG23 ILE 55 HG23 ILE 55 -16.413 29.982 -8.827 436 HD11 ILE 55 HD11 ILE 55 -19.275 32.061 -9.043 437 HD12 ILE 55 HD12 ILE 55 -19.628 31.254 -7.514 438 HD13 ILE 55 HD13 ILE 55 -17.954 31.524 -8.005 439 H VAL 56 H VAL 56 -17.823 29.121 -13.104 440 HA VAL 56 HA VAL 56 -15.286 29.952 -13.850 441 HB VAL 56 HB VAL 56 -15.649 28.686 -15.957 442 HG11 VAL 56 HG11 VAL 56 -16.477 26.530 -14.636 443 HG12 VAL 56 HG12 VAL 56 -14.882 27.240 -14.376 444 HG13 VAL 56 HG13 VAL 56 -16.200 27.592 -13.256 445 HG21 VAL 56 HG21 VAL 56 -18.475 28.649 -14.947 446 HG22 VAL 56 HG22 VAL 56 -17.875 29.093 -16.545 447 HG23 VAL 56 HG23 VAL 56 -17.868 27.405 -16.038 448 H LYS 57 H LYS 57 -18.429 30.904 -15.151 449 HA LYS 57 HA LYS 57 -17.343 32.498 -17.260 450 HB2 LYS 57 HB2 LYS 57 -19.604 33.212 -17.659 451 HB3 LYS 57 HB3 LYS 57 -19.624 31.489 -17.302 452 HG2 LYS 57 HG2 LYS 57 -20.495 31.848 -15.137 453 HG3 LYS 57 HG3 LYS 57 -20.176 33.583 -15.220 454 HD2 LYS 57 HD2 LYS 57 -22.486 33.376 -15.593 455 HD3 LYS 57 HD3 LYS 57 -21.791 33.612 -17.198 456 HE2 LYS 57 HE2 LYS 57 -21.708 30.946 -17.096 457 HE3 LYS 57 HE3 LYS 57 -23.064 31.216 -16.002 458 HZ1 LYS 57 HZ1 LYS 57 -24.370 31.577 -17.735 459 HZ2 LYS 57 HZ2 LYS 57 -23.083 31.246 -18.784 460 HZ3 LYS 57 HZ3 LYS 57 -23.377 32.834 -18.281 461 H ASP 58 H ASP 58 -18.136 33.026 -13.921 462 HA ASP 58 HA ASP 58 -18.160 35.893 -14.085 463 HB2 ASP 58 HB2 ASP 58 -18.195 33.900 -11.839 464 HB3 ASP 58 HB3 ASP 58 -17.914 35.607 -11.505 465 H TYR 59 H TYR 59 -15.788 33.411 -13.407 466 HA TYR 59 HA TYR 59 -13.787 35.352 -12.592 467 HB2 TYR 59 HB2 TYR 59 -14.152 32.499 -12.330 468 HB3 TYR 59 HB3 TYR 59 -12.556 32.856 -12.981 469 HD1 TYR 59 HD1 TYR 59 -14.786 33.255 -10.094 470 HD2 TYR 59 HD2 TYR 59 -10.895 33.999 -11.648 471 HE1 TYR 59 HE1 TYR 59 -13.993 33.799 -7.831 472 HE2 TYR 59 HE2 TYR 59 -10.091 34.543 -9.388 473 HH TYR 59 HH TYR 59 -10.641 34.202 -7.106 474 H ASP 60 H ASP 60 -14.745 33.590 -15.418 475 HA ASP 60 HA ASP 60 -12.282 34.317 -16.824 476 HB2 ASP 60 HB2 ASP 60 -13.528 31.991 -16.918 477 HB3 ASP 60 HB3 ASP 60 -14.510 32.809 -18.131 478 H LYS 61 H LYS 61 -13.223 36.610 -16.440 479 HA LYS 61 HA LYS 61 -15.006 37.316 -18.673 480 HB2 LYS 61 HB2 LYS 61 -15.384 39.445 -17.390 481 HB3 LYS 61 HB3 LYS 61 -15.988 37.992 -16.604 482 HG2 LYS 61 HG2 LYS 61 -13.929 37.952 -15.218 483 HG3 LYS 61 HG3 LYS 61 -13.465 39.495 -15.940 484 HD2 LYS 61 HD2 LYS 61 -15.072 40.661 -14.813 485 HD3 LYS 61 HD3 LYS 61 -16.179 39.289 -14.751 486 HE2 LYS 61 HE2 LYS 61 -14.203 38.340 -13.206 487 HE3 LYS 61 HE3 LYS 61 -13.999 40.065 -12.908 488 HZ1 LYS 61 HZ1 LYS 61 -15.504 39.463 -11.299 489 HZ2 LYS 61 HZ2 LYS 61 -16.295 38.336 -12.283 490 HZ3 LYS 61 HZ3 LYS 61 -16.541 39.991 -12.526 491 H ASP 62 H ASP 62 -11.827 37.509 -17.526 492 HA ASP 62 HA ASP 62 -11.111 39.969 -18.835 493 HB2 ASP 62 HB2 ASP 62 -8.885 39.531 -18.110 494 HB3 ASP 62 HB3 ASP 62 -9.944 39.004 -16.804 495 H ASN 63 H ASN 63 -11.635 36.785 -19.842 496 HA ASN 63 HA ASN 63 -10.225 37.325 -22.370 497 HB2 ASN 63 HB2 ASN 63 -9.020 35.598 -21.105 498 HB3 ASN 63 HB3 ASN 63 -10.499 34.645 -20.990 499 HD21 ASN 63 HD21 ASN 63 -11.183 33.468 -22.725 500 HD22 ASN 63 HD22 ASN 63 -10.245 33.258 -24.161 501 H SER 64 H SER 64 -12.468 34.824 -21.184 502 HA SER 64 HA SER 64 -14.742 35.723 -22.538 503 HB2 SER 64 HB2 SER 64 -12.888 34.784 -24.356 504 HB3 SER 64 HB3 SER 64 -13.926 33.383 -24.100 505 HG SER 64 HG SER 64 -15.697 35.018 -24.424 506 H GLY 65 H GLY 65 -16.046 33.428 -23.218 507 HA2 GLY 65 HA2 GLY 65 -16.139 32.036 -20.629 508 HA3 GLY 65 HA3 GLY 65 -17.458 32.135 -21.786 509 H LYS 66 H LYS 66 -14.172 31.367 -22.710 510 HA LYS 66 HA LYS 66 -15.029 28.597 -23.244 511 HB2 LYS 66 HB2 LYS 66 -13.668 30.592 -24.955 512 HB3 LYS 66 HB3 LYS 66 -13.038 28.952 -25.039 513 HG2 LYS 66 HG2 LYS 66 -14.637 28.506 -26.505 514 HG3 LYS 66 HG3 LYS 66 -15.800 28.657 -25.187 515 HD2 LYS 66 HD2 LYS 66 -16.707 30.311 -26.389 516 HD3 LYS 66 HD3 LYS 66 -15.314 31.274 -25.887 517 HE2 LYS 66 HE2 LYS 66 -14.187 30.904 -27.898 518 HE3 LYS 66 HE3 LYS 66 -15.188 29.511 -28.309 519 HZ1 LYS 66 HZ1 LYS 66 -15.623 31.674 -29.542 520 HZ2 LYS 66 HZ2 LYS 66 -16.333 32.229 -28.109 521 HZ3 LYS 66 HZ3 LYS 66 -16.967 30.873 -28.898 522 H PHE 67 H PHE 67 -13.154 27.063 -23.454 523 HA PHE 67 HA PHE 67 -10.951 27.799 -21.648 524 HB2 PHE 67 HB2 PHE 67 -12.992 26.066 -20.964 525 HB3 PHE 67 HB3 PHE 67 -11.716 24.981 -21.505 526 HD1 PHE 67 HD1 PHE 67 -12.288 27.897 -19.265 527 HD2 PHE 67 HD2 PHE 67 -10.054 24.356 -20.031 528 HE1 PHE 67 HE1 PHE 67 -11.171 28.134 -17.085 529 HE2 PHE 67 HE2 PHE 67 -8.934 24.587 -17.853 530 HZ PHE 67 HZ PHE 67 -9.493 26.477 -16.376 531 H ASP 68 H ASP 68 -8.979 27.307 -22.377 532 HA ASP 68 HA ASP 68 -8.782 25.506 -24.703 533 HB2 ASP 68 HB2 ASP 68 -6.769 26.843 -25.349 534 HB3 ASP 68 HB3 ASP 68 -8.274 27.759 -25.390 535 H GLN 69 H GLN 69 -7.284 23.904 -24.675 536 HA GLN 69 HA GLN 69 -6.387 22.809 -22.328 537 HB2 GLN 69 HB2 GLN 69 -4.767 21.527 -23.708 538 HB3 GLN 69 HB3 GLN 69 -6.393 21.535 -24.376 539 HG2 GLN 69 HG2 GLN 69 -5.248 21.964 -26.273 540 HG3 GLN 69 HG3 GLN 69 -5.427 23.621 -25.699 541 HE21 GLN 69 HE21 GLN 69 -3.632 24.630 -26.281 542 HE22 GLN 69 HE22 GLN 69 -2.022 24.090 -25.959 543 H GLU 70 H GLU 70 -4.749 25.157 -24.386 544 HA GLU 70 HA GLU 70 -2.224 25.130 -23.236 545 HB2 GLU 70 HB2 GLU 70 -3.112 26.448 -25.275 546 HB3 GLU 70 HB3 GLU 70 -3.545 27.686 -24.104 547 HG2 GLU 70 HG2 GLU 70 -0.843 26.835 -23.675 548 HG3 GLU 70 HG3 GLU 70 -1.076 27.297 -25.360 549 H THR 71 H THR 71 -5.170 26.737 -22.171 550 HA THR 71 HA THR 71 -4.042 28.348 -20.162 551 HB THR 71 HB THR 71 -6.814 27.153 -20.343 552 HG1 THR 71 HG1 THR 71 -7.220 29.443 -20.953 553 HG21 THR 71 HG21 THR 71 -7.024 29.452 -18.866 554 HG22 THR 71 HG22 THR 71 -5.519 28.757 -18.266 555 HG23 THR 71 HG23 THR 71 -7.010 27.817 -18.207 556 H PHE 72 H PHE 72 -5.384 25.063 -20.047 557 HA PHE 72 HA PHE 72 -5.093 24.683 -17.276 558 HB2 PHE 72 HB2 PHE 72 -6.499 23.138 -18.331 559 HB3 PHE 72 HB3 PHE 72 -5.340 22.821 -19.618 560 HD1 PHE 72 HD1 PHE 72 -5.873 22.355 -15.971 561 HD2 PHE 72 HD2 PHE 72 -3.946 20.972 -19.506 562 HE1 PHE 72 HE1 PHE 72 -5.074 20.371 -14.755 563 HE2 PHE 72 HE2 PHE 72 -3.145 18.985 -18.295 564 HZ PHE 72 HZ PHE 72 -3.708 18.683 -15.917 565 H LEU 73 H LEU 73 -2.940 23.946 -19.990 566 HA LEU 73 HA LEU 73 -0.931 22.670 -18.477 567 HB2 LEU 73 HB2 LEU 73 -0.976 24.023 -21.149 568 HB3 LEU 73 HB3 LEU 73 0.530 23.410 -20.469 569 HG LEU 73 HG LEU 73 -1.557 21.401 -20.427 570 HD11 LEU 73 HD11 LEU 73 -2.090 22.908 -22.487 571 HD12 LEU 73 HD12 LEU 73 -2.068 21.153 -22.654 572 HD13 LEU 73 HD13 LEU 73 -0.685 22.106 -23.190 573 HD21 LEU 73 HD21 LEU 73 1.167 21.571 -21.710 574 HD22 LEU 73 HD22 LEU 73 0.194 20.105 -21.575 575 HD23 LEU 73 HD23 LEU 73 0.791 20.905 -20.120 576 H THR 74 H THR 74 -1.551 26.035 -19.256 577 HA THR 74 HA THR 74 0.952 27.029 -18.330 578 HB THR 74 HB THR 74 -1.686 28.468 -18.683 579 HG1 THR 74 HG1 THR 74 0.597 28.191 -20.369 580 HG21 THR 74 HG21 THR 74 1.107 29.493 -18.195 581 HG22 THR 74 HG22 THR 74 -0.332 29.775 -17.217 582 HG23 THR 74 HG23 THR 74 -0.201 30.496 -18.821 583 H ILE 75 H ILE 75 -2.226 26.589 -16.858 584 HA ILE 75 HA ILE 75 -1.644 27.930 -14.432 585 HB ILE 75 HB ILE 75 -3.679 25.765 -14.981 586 HG12 ILE 75 HG12 ILE 75 -4.370 28.649 -14.653 587 HG13 ILE 75 HG13 ILE 75 -3.654 28.141 -16.178 588 HG21 ILE 75 HG21 ILE 75 -2.974 27.274 -12.560 589 HG22 ILE 75 HG22 ILE 75 -4.695 27.228 -12.942 590 HG23 ILE 75 HG23 ILE 75 -3.797 25.724 -12.736 591 HD11 ILE 75 HD11 ILE 75 -6.128 26.946 -14.956 592 HD12 ILE 75 HD12 ILE 75 -6.109 28.170 -16.225 593 HD13 ILE 75 HD13 ILE 75 -5.441 26.567 -16.535 594 H MET 76 H MET 76 -1.617 24.486 -15.321 595 HA MET 76 HA MET 76 -0.744 23.573 -12.783 596 HB2 MET 76 HB2 MET 76 -0.230 21.457 -13.977 597 HB3 MET 76 HB3 MET 76 -1.853 22.055 -14.297 598 HG2 MET 76 HG2 MET 76 -1.274 21.557 -16.416 599 HG3 MET 76 HG3 MET 76 -0.597 23.183 -16.353 600 HE1 MET 76 HE1 MET 76 0.323 19.323 -16.827 601 HE2 MET 76 HE2 MET 76 -0.115 20.473 -18.092 602 HE3 MET 76 HE3 MET 76 1.537 19.863 -17.988 603 H LEU 77 H LEU 77 0.899 24.826 -15.576 604 HA LEU 77 HA LEU 77 3.496 23.855 -14.824 605 HB2 LEU 77 HB2 LEU 77 3.023 24.246 -17.147 606 HB3 LEU 77 HB3 LEU 77 2.606 25.926 -16.822 607 HG LEU 77 HG LEU 77 5.032 26.216 -16.092 608 HD11 LEU 77 HD11 LEU 77 5.651 23.908 -15.829 609 HD12 LEU 77 HD12 LEU 77 6.607 24.612 -17.133 610 HD13 LEU 77 HD13 LEU 77 5.240 23.563 -17.510 611 HD21 LEU 77 HD21 LEU 77 4.958 25.502 -18.974 612 HD22 LEU 77 HD22 LEU 77 5.567 26.955 -18.180 613 HD23 LEU 77 HD23 LEU 77 3.831 26.730 -18.394 614 H GLU 78 H GLU 78 1.683 26.849 -14.449 615 HA GLU 78 HA GLU 78 3.870 28.340 -13.372 616 HB2 GLU 78 HB2 GLU 78 1.951 29.425 -14.470 617 HB3 GLU 78 HB3 GLU 78 0.897 28.856 -13.185 618 HG2 GLU 78 HG2 GLU 78 1.323 30.702 -12.055 619 HG3 GLU 78 HG3 GLU 78 3.014 30.217 -11.936 620 H TYR 79 H TYR 79 1.422 26.239 -12.067 621 HA TYR 79 HA TYR 79 1.972 27.033 -9.327 622 HB2 TYR 79 HB2 TYR 79 -0.181 25.744 -10.687 623 HB3 TYR 79 HB3 TYR 79 0.401 24.662 -9.428 624 HD1 TYR 79 HD1 TYR 79 0.239 25.285 -7.077 625 HD2 TYR 79 HD2 TYR 79 -1.222 27.861 -10.131 626 HE1 TYR 79 HE1 TYR 79 -1.005 26.571 -5.389 627 HE2 TYR 79 HE2 TYR 79 -2.470 29.154 -8.452 628 HH TYR 79 HH TYR 79 -1.893 29.119 -5.302 629 H GLY 80 H GLY 80 2.769 24.471 -11.564 630 HA2 GLY 80 HA2 GLY 80 4.737 23.162 -11.348 631 HA3 GLY 80 HA3 GLY 80 4.702 23.445 -9.613 632 H GLN 81 H GLN 81 1.714 22.798 -9.741 633 HA GLN 81 HA GLN 81 1.882 19.901 -10.152 634 HB2 GLN 81 HB2 GLN 81 2.323 20.223 -7.790 635 HB3 GLN 81 HB3 GLN 81 0.907 21.253 -7.632 636 HG2 GLN 81 HG2 GLN 81 -0.499 19.519 -7.480 637 HG3 GLN 81 HG3 GLN 81 0.359 18.584 -8.703 638 HE21 GLN 81 HE21 GLN 81 2.153 17.332 -8.074 639 HE22 GLN 81 HE22 GLN 81 2.370 16.837 -6.433 640 H GLU 82 H GLU 82 -0.562 22.028 -8.687 641 HA GLU 82 HA GLU 82 -2.235 22.250 -10.917 642 HB2 GLU 82 HB2 GLU 82 -2.306 19.670 -9.732 643 HB3 GLU 82 HB3 GLU 82 -3.822 20.471 -9.342 644 HG2 GLU 82 HG2 GLU 82 -3.902 21.046 -11.853 645 HG3 GLU 82 HG3 GLU 82 -2.696 19.770 -12.020 646 H VAL 83 H VAL 83 -4.694 22.473 -9.995 647 HA VAL 83 HA VAL 83 -4.461 24.228 -7.637 648 HB VAL 83 HB VAL 83 -6.293 25.563 -8.535 649 HG11 VAL 83 HG11 VAL 83 -5.099 26.397 -10.631 650 HG12 VAL 83 HG12 VAL 83 -4.182 26.402 -9.123 651 HG13 VAL 83 HG13 VAL 83 -3.914 25.131 -10.316 652 HG21 VAL 83 HG21 VAL 83 -6.882 25.120 -11.003 653 HG22 VAL 83 HG22 VAL 83 -6.253 23.499 -10.709 654 HG23 VAL 83 HG23 VAL 83 -7.621 24.098 -9.771 655 H ASP 84 H ASP 84 -6.183 21.635 -9.158 656 HA ASP 84 HA ASP 84 -7.786 20.201 -8.416 657 HB2 ASP 84 HB2 ASP 84 -6.174 20.547 -6.292 658 HB3 ASP 84 HB3 ASP 84 -7.669 21.190 -5.619 659 H SER 85 H SER 85 -9.968 20.103 -7.332 660 HA SER 85 HA SER 85 -11.306 22.537 -6.681 661 HB2 SER 85 HB2 SER 85 -12.920 22.368 -8.659 662 HB3 SER 85 HB3 SER 85 -11.318 23.021 -9.002 663 HG SER 85 HG SER 85 -12.451 20.582 -9.747 Start of MODEL 18 1 H1 MET 1 H1 MET 1 4.709 -2.535 -11.457 2 HA MET 1 HA MET 1 2.367 -1.791 -12.449 3 HB2 MET 1 HB2 MET 1 2.011 -4.664 -11.576 4 HB3 MET 1 HB3 MET 1 0.721 -3.571 -12.059 5 HG2 MET 1 HG2 MET 1 2.586 -3.561 -14.155 6 HG3 MET 1 HG3 MET 1 2.382 -5.244 -13.674 7 HE1 MET 1 HE1 MET 1 0.153 -3.828 -16.873 8 HE2 MET 1 HE2 MET 1 0.754 -2.444 -15.960 9 HE3 MET 1 HE3 MET 1 1.836 -3.782 -16.348 10 H SER 2 H SER 2 3.709 -0.772 -10.485 11 HA SER 2 HA SER 2 1.954 -1.076 -8.169 12 HB2 SER 2 HB2 SER 2 4.374 -0.691 -6.932 13 HB3 SER 2 HB3 SER 2 3.554 -2.244 -7.081 14 HG SER 2 HG SER 2 4.835 -2.769 -8.778 15 H GLU 3 H GLU 3 5.008 0.652 -8.765 16 HA GLU 3 HA GLU 3 3.832 3.109 -7.796 17 HB2 GLU 3 HB2 GLU 3 6.099 2.613 -7.135 18 HB3 GLU 3 HB3 GLU 3 6.599 2.448 -8.811 19 HG2 GLU 3 HG2 GLU 3 5.435 5.016 -8.478 20 HG3 GLU 3 HG3 GLU 3 6.605 4.760 -7.185 21 H GLN 4 H GLN 4 2.989 4.680 -8.999 22 HA GLN 4 HA GLN 4 3.815 5.033 -11.764 23 HB2 GLN 4 HB2 GLN 4 0.938 4.494 -11.003 24 HB3 GLN 4 HB3 GLN 4 1.482 5.024 -12.589 25 HG2 GLN 4 HG2 GLN 4 2.892 2.939 -12.671 26 HG3 GLN 4 HG3 GLN 4 2.029 2.403 -11.231 27 HE21 GLN 4 HE21 GLN 4 1.626 3.378 -14.586 28 HE22 GLN 4 HE22 GLN 4 0.172 2.487 -14.863 29 H LYS 5 H LYS 5 3.415 7.093 -12.577 30 HA LYS 5 HA LYS 5 2.448 9.041 -10.588 31 HB2 LYS 5 HB2 LYS 5 4.933 9.042 -11.317 32 HB3 LYS 5 HB3 LYS 5 4.337 9.727 -12.824 33 HG2 LYS 5 HG2 LYS 5 3.808 11.722 -11.872 34 HG3 LYS 5 HG3 LYS 5 3.463 11.006 -10.295 35 HD2 LYS 5 HD2 LYS 5 6.265 10.918 -11.286 36 HD3 LYS 5 HD3 LYS 5 5.633 12.469 -10.728 37 HE2 LYS 5 HE2 LYS 5 5.186 10.076 -9.023 38 HE3 LYS 5 HE3 LYS 5 6.811 10.756 -9.084 39 HZ1 LYS 5 HZ1 LYS 5 4.478 11.747 -7.762 40 HZ2 LYS 5 HZ2 LYS 5 5.185 12.922 -8.753 41 HZ3 LYS 5 HZ3 LYS 5 6.102 12.173 -7.545 42 H LYS 6 H LYS 6 0.509 9.792 -11.113 43 HA LYS 6 HA LYS 6 -0.147 10.143 -13.962 44 HB2 LYS 6 HB2 LYS 6 -2.549 10.155 -13.095 45 HB3 LYS 6 HB3 LYS 6 -1.697 8.617 -13.061 46 HG2 LYS 6 HG2 LYS 6 -1.561 10.295 -10.625 47 HG3 LYS 6 HG3 LYS 6 -3.104 9.524 -11.000 48 HD2 LYS 6 HD2 LYS 6 -0.838 7.721 -11.308 49 HD3 LYS 6 HD3 LYS 6 -0.983 8.362 -9.669 50 HE2 LYS 6 HE2 LYS 6 -3.361 7.249 -11.118 51 HE3 LYS 6 HE3 LYS 6 -2.238 6.189 -10.266 52 HZ1 LYS 6 HZ1 LYS 6 -4.331 7.203 -9.080 53 HZ2 LYS 6 HZ2 LYS 6 -3.289 8.511 -8.829 54 HZ3 LYS 6 HZ3 LYS 6 -2.876 6.978 -8.247 55 H VAL 7 H VAL 7 1.320 12.017 -12.201 56 HA VAL 7 HA VAL 7 -0.363 14.353 -12.711 57 HB VAL 7 HB VAL 7 0.342 15.338 -10.502 58 HG11 VAL 7 HG11 VAL 7 -1.296 12.942 -9.879 59 HG12 VAL 7 HG12 VAL 7 -1.587 14.643 -9.507 60 HG13 VAL 7 HG13 VAL 7 -1.877 14.032 -11.137 61 HG21 VAL 7 HG21 VAL 7 2.177 13.713 -10.091 62 HG22 VAL 7 HG22 VAL 7 1.064 13.878 -8.733 63 HG23 VAL 7 HG23 VAL 7 0.959 12.472 -9.792 64 H LEU 8 H LEU 8 0.749 16.080 -13.449 65 HA LEU 8 HA LEU 8 2.470 17.257 -14.363 66 HB2 LEU 8 HB2 LEU 8 2.959 16.974 -11.676 67 HB3 LEU 8 HB3 LEU 8 4.472 16.436 -12.402 68 HG LEU 8 HG LEU 8 4.518 18.811 -11.784 69 HD11 LEU 8 HD11 LEU 8 4.550 18.421 -14.771 70 HD12 LEU 8 HD12 LEU 8 5.848 17.937 -13.682 71 HD13 LEU 8 HD13 LEU 8 5.425 19.641 -13.848 72 HD21 LEU 8 HD21 LEU 8 1.974 18.998 -12.414 73 HD22 LEU 8 HD22 LEU 8 2.622 19.451 -13.990 74 HD23 LEU 8 HD23 LEU 8 3.049 20.390 -12.560 75 H THR 9 H THR 9 2.141 14.536 -15.242 76 HA THR 9 HA THR 9 4.887 14.030 -16.168 77 HB THR 9 HB THR 9 3.427 11.567 -16.129 78 HG1 THR 9 HG1 THR 9 3.502 13.021 -13.685 79 HG21 THR 9 HG21 THR 9 5.348 10.798 -14.852 80 HG22 THR 9 HG22 THR 9 5.830 12.463 -14.534 81 HG23 THR 9 HG23 THR 9 5.878 11.830 -16.179 82 H ALA 10 H ALA 10 4.848 12.491 -18.114 83 HA ALA 10 HA ALA 10 3.551 13.677 -20.241 84 HB1 ALA 10 HB1 ALA 10 4.665 10.904 -19.922 85 HB2 ALA 10 HB2 ALA 10 4.018 11.499 -21.451 86 HB3 ALA 10 HB3 ALA 10 5.403 12.300 -20.709 87 H GLU 11 H GLU 11 2.478 11.004 -18.210 88 HA GLU 11 HA GLU 11 0.284 10.166 -19.727 89 HB2 GLU 11 HB2 GLU 11 0.794 10.110 -16.755 90 HB3 GLU 11 HB3 GLU 11 -0.626 9.378 -17.490 91 HG2 GLU 11 HG2 GLU 11 1.788 8.530 -18.818 92 HG3 GLU 11 HG3 GLU 11 1.854 8.199 -17.088 93 H GLU 12 H GLU 12 0.539 12.664 -17.229 94 HA GLU 12 HA GLU 12 -2.202 13.327 -17.150 95 HB2 GLU 12 HB2 GLU 12 -0.800 14.022 -15.344 96 HB3 GLU 12 HB3 GLU 12 0.274 14.893 -16.430 97 HG2 GLU 12 HG2 GLU 12 -1.028 16.715 -16.471 98 HG3 GLU 12 HG3 GLU 12 -2.520 15.777 -16.497 99 H GLN 13 H GLN 13 0.497 14.580 -19.057 100 HA GLN 13 HA GLN 13 -0.847 16.727 -20.260 101 HB2 GLN 13 HB2 GLN 13 1.703 15.808 -20.317 102 HB3 GLN 13 HB3 GLN 13 1.153 15.312 -21.912 103 HG2 GLN 13 HG2 GLN 13 0.548 17.589 -22.449 104 HG3 GLN 13 HG3 GLN 13 0.988 18.114 -20.824 105 HE21 GLN 13 HE21 GLN 13 2.346 16.460 -23.648 106 HE22 GLN 13 HE22 GLN 13 3.923 17.153 -23.513 107 H GLN 14 H GLN 14 -0.286 13.428 -21.482 108 HA GLN 14 HA GLN 14 -1.780 13.742 -23.848 109 HB2 GLN 14 HB2 GLN 14 -1.729 11.303 -23.993 110 HB3 GLN 14 HB3 GLN 14 -0.153 11.936 -23.538 111 HG2 GLN 14 HG2 GLN 14 -0.561 11.345 -21.218 112 HG3 GLN 14 HG3 GLN 14 -2.167 10.752 -21.642 113 HE21 GLN 14 HE21 GLN 14 -2.076 8.631 -21.350 114 HE22 GLN 14 HE22 GLN 14 -0.891 7.572 -22.027 115 H GLU 15 H GLU 15 -2.672 12.770 -20.592 116 HA GLU 15 HA GLU 15 -5.270 11.832 -21.202 117 HB2 GLU 15 HB2 GLU 15 -3.861 12.703 -18.716 118 HB3 GLU 15 HB3 GLU 15 -5.608 12.515 -18.674 119 HG2 GLU 15 HG2 GLU 15 -3.942 10.309 -19.779 120 HG3 GLU 15 HG3 GLU 15 -4.027 10.537 -18.033 121 H TYR 16 H TYR 16 -3.989 15.007 -20.376 122 HA TYR 16 HA TYR 16 -6.547 16.261 -20.150 123 HB2 TYR 16 HB2 TYR 16 -3.711 17.154 -20.149 124 HB3 TYR 16 HB3 TYR 16 -4.932 18.355 -20.554 125 HD1 TYR 16 HD1 TYR 16 -7.132 17.909 -18.838 126 HD2 TYR 16 HD2 TYR 16 -2.998 17.395 -17.973 127 HE1 TYR 16 HE1 TYR 16 -7.597 18.248 -16.446 128 HE2 TYR 16 HE2 TYR 16 -3.451 17.732 -15.579 129 HH TYR 16 HH TYR 16 -4.978 18.291 -14.055 130 H LYS 17 H LYS 17 -4.136 15.936 -22.703 131 HA LYS 17 HA LYS 17 -5.377 17.693 -24.547 132 HB2 LYS 17 HB2 LYS 17 -3.550 15.350 -25.109 133 HB3 LYS 17 HB3 LYS 17 -3.918 16.665 -26.217 134 HG2 LYS 17 HG2 LYS 17 -2.890 17.577 -23.647 135 HG3 LYS 17 HG3 LYS 17 -1.765 16.544 -24.533 136 HD2 LYS 17 HD2 LYS 17 -2.555 18.127 -26.537 137 HD3 LYS 17 HD3 LYS 17 -2.796 19.243 -25.191 138 HE2 LYS 17 HE2 LYS 17 -0.255 17.772 -25.142 139 HE3 LYS 17 HE3 LYS 17 -0.443 18.877 -26.502 140 HZ1 LYS 17 HZ1 LYS 17 -0.498 19.509 -23.613 141 HZ2 LYS 17 HZ2 LYS 17 -1.113 20.578 -24.771 142 HZ3 LYS 17 HZ3 LYS 17 0.521 20.141 -24.808 143 H GLU 18 H GLU 18 -5.621 14.213 -23.985 144 HA GLU 18 HA GLU 18 -7.325 13.721 -26.220 145 HB2 GLU 18 HB2 GLU 18 -6.039 11.890 -25.389 146 HB3 GLU 18 HB3 GLU 18 -6.660 12.111 -23.759 147 HG2 GLU 18 HG2 GLU 18 -8.567 10.992 -24.183 148 HG3 GLU 18 HG3 GLU 18 -8.674 11.583 -25.840 149 H ALA 19 H ALA 19 -7.822 14.550 -22.857 150 HA ALA 19 HA ALA 19 -10.585 13.934 -22.732 151 HB1 ALA 19 HB1 ALA 19 -9.062 14.268 -20.769 152 HB2 ALA 19 HB2 ALA 19 -9.141 16.001 -21.087 153 HB3 ALA 19 HB3 ALA 19 -10.606 15.115 -20.665 154 H PHE 20 H PHE 20 -8.786 16.832 -23.628 155 HA PHE 20 HA PHE 20 -11.093 18.505 -23.832 156 HB2 PHE 20 HB2 PHE 20 -9.485 20.057 -23.827 157 HB3 PHE 20 HB3 PHE 20 -8.255 18.815 -24.032 158 HD1 PHE 20 HD1 PHE 20 -10.568 21.044 -25.861 159 HD2 PHE 20 HD2 PHE 20 -7.122 18.555 -26.070 160 HE1 PHE 20 HE1 PHE 20 -10.094 21.897 -28.121 161 HE2 PHE 20 HE2 PHE 20 -6.642 19.405 -28.328 162 HZ PHE 20 HZ PHE 20 -8.127 21.078 -29.357 163 H GLN 21 H GLN 21 -9.164 16.618 -26.109 164 HA GLN 21 HA GLN 21 -10.379 17.531 -28.474 165 HB2 GLN 21 HB2 GLN 21 -8.318 16.342 -28.634 166 HB3 GLN 21 HB3 GLN 21 -8.981 14.948 -27.794 167 HG2 GLN 21 HG2 GLN 21 -10.482 14.536 -29.690 168 HG3 GLN 21 HG3 GLN 21 -9.767 15.909 -30.535 169 HE21 GLN 21 HE21 GLN 21 -9.780 12.699 -30.480 170 HE22 GLN 21 HE22 GLN 21 -8.169 12.357 -31.002 171 H LEU 22 H LEU 22 -11.109 14.744 -26.399 172 HA LEU 22 HA LEU 22 -13.231 13.744 -27.966 173 HB2 LEU 22 HB2 LEU 22 -12.229 12.304 -26.375 174 HB3 LEU 22 HB3 LEU 22 -12.520 13.441 -25.061 175 HG LEU 22 HG LEU 22 -15.032 12.711 -26.185 176 HD11 LEU 22 HD11 LEU 22 -13.616 10.721 -26.950 177 HD12 LEU 22 HD12 LEU 22 -15.093 10.382 -26.047 178 HD13 LEU 22 HD13 LEU 22 -13.527 10.294 -25.241 179 HD21 LEU 22 HD21 LEU 22 -15.587 12.281 -23.979 180 HD22 LEU 22 HD22 LEU 22 -14.262 13.435 -23.817 181 HD23 LEU 22 HD23 LEU 22 -13.966 11.713 -23.572 182 H PHE 23 H PHE 23 -13.061 16.198 -25.478 183 HA PHE 23 HA PHE 23 -15.965 16.476 -25.428 184 HB2 PHE 23 HB2 PHE 23 -13.726 17.355 -23.702 185 HB3 PHE 23 HB3 PHE 23 -15.098 18.452 -23.804 186 HD1 PHE 23 HD1 PHE 23 -17.447 17.041 -23.712 187 HD2 PHE 23 HD2 PHE 23 -13.754 15.962 -21.893 188 HE1 PHE 23 HE1 PHE 23 -18.662 15.678 -22.064 189 HE2 PHE 23 HE2 PHE 23 -14.962 14.596 -20.243 190 HZ PHE 23 HZ PHE 23 -17.420 14.451 -20.327 191 H ASP 24 H ASP 24 -14.027 17.250 -27.684 192 HA ASP 24 HA ASP 24 -15.017 20.007 -28.006 193 HB2 ASP 24 HB2 ASP 24 -12.573 19.957 -27.702 194 HB3 ASP 24 HB3 ASP 24 -12.429 18.852 -29.066 195 H LYS 25 H LYS 25 -16.800 18.367 -28.826 196 HA LYS 25 HA LYS 25 -16.542 17.075 -31.283 197 HB2 LYS 25 HB2 LYS 25 -18.958 17.116 -31.400 198 HB3 LYS 25 HB3 LYS 25 -18.463 16.803 -29.742 199 HG2 LYS 25 HG2 LYS 25 -18.783 19.272 -29.314 200 HG3 LYS 25 HG3 LYS 25 -19.561 19.350 -30.897 201 HD2 LYS 25 HD2 LYS 25 -21.254 17.793 -30.203 202 HD3 LYS 25 HD3 LYS 25 -20.422 17.499 -28.675 203 HE2 LYS 25 HE2 LYS 25 -21.032 19.543 -27.798 204 HE3 LYS 25 HE3 LYS 25 -21.247 20.279 -29.386 205 HZ1 LYS 25 HZ1 LYS 25 -23.352 19.863 -28.200 206 HZ2 LYS 25 HZ2 LYS 25 -23.038 18.202 -28.249 207 HZ3 LYS 25 HZ3 LYS 25 -23.268 19.061 -29.688 208 H ASP 26 H ASP 26 -17.125 20.443 -30.520 209 HA ASP 26 HA ASP 26 -17.835 21.228 -33.171 210 HB2 ASP 26 HB2 ASP 26 -17.375 22.546 -30.587 211 HB3 ASP 26 HB3 ASP 26 -16.910 23.519 -31.980 212 H ASN 27 H ASN 27 -14.868 20.601 -31.557 213 HA ASN 27 HA ASN 27 -12.699 20.656 -32.237 214 HB2 ASN 27 HB2 ASN 27 -14.001 19.833 -34.411 215 HB3 ASN 27 HB3 ASN 27 -13.429 21.377 -35.035 216 HD21 ASN 27 HD21 ASN 27 -11.900 20.726 -36.422 217 HD22 ASN 27 HD22 ASN 27 -10.503 19.807 -35.986 218 H ASP 28 H ASP 28 -13.488 22.910 -31.034 219 HA ASP 28 HA ASP 28 -12.559 25.138 -32.705 220 HB2 ASP 28 HB2 ASP 28 -14.155 25.018 -30.153 221 HB3 ASP 28 HB3 ASP 28 -13.406 26.515 -30.703 222 H ASN 29 H ASN 29 -11.211 22.920 -30.798 223 HA ASN 29 HA ASN 29 -9.224 22.757 -29.702 224 HB2 ASN 29 HB2 ASN 29 -8.856 24.813 -31.570 225 HB3 ASN 29 HB3 ASN 29 -8.222 25.452 -30.057 226 HD21 ASN 29 HD21 ASN 29 -8.255 22.221 -31.522 227 HD22 ASN 29 HD22 ASN 29 -6.547 21.977 -31.432 228 H LYS 30 H LYS 30 -11.718 24.239 -28.607 229 HA LYS 30 HA LYS 30 -10.484 24.899 -26.056 230 HB2 LYS 30 HB2 LYS 30 -12.383 26.840 -27.377 231 HB3 LYS 30 HB3 LYS 30 -11.541 27.049 -25.848 232 HG2 LYS 30 HG2 LYS 30 -9.388 26.930 -27.182 233 HG3 LYS 30 HG3 LYS 30 -10.396 27.094 -28.622 234 HD2 LYS 30 HD2 LYS 30 -10.882 29.269 -28.197 235 HD3 LYS 30 HD3 LYS 30 -10.873 29.040 -26.447 236 HE2 LYS 30 HE2 LYS 30 -8.265 28.622 -27.017 237 HE3 LYS 30 HE3 LYS 30 -8.687 29.777 -28.280 238 HZ1 LYS 30 HZ1 LYS 30 -9.807 30.907 -26.132 239 HZ2 LYS 30 HZ2 LYS 30 -8.249 31.269 -26.685 240 HZ3 LYS 30 HZ3 LYS 30 -8.463 30.165 -25.421 241 H LEU 31 H LEU 31 -12.263 25.396 -24.395 242 HA LEU 31 HA LEU 31 -14.629 23.734 -24.960 243 HB2 LEU 31 HB2 LEU 31 -13.011 23.868 -22.421 244 HB3 LEU 31 HB3 LEU 31 -14.554 23.033 -22.581 245 HG LEU 31 HG LEU 31 -12.959 21.337 -22.715 246 HD11 LEU 31 HD11 LEU 31 -13.094 21.769 -25.635 247 HD12 LEU 31 HD12 LEU 31 -14.627 21.726 -24.767 248 HD13 LEU 31 HD13 LEU 31 -13.522 20.355 -24.672 249 HD21 LEU 31 HD21 LEU 31 -10.855 21.491 -23.574 250 HD22 LEU 31 HD22 LEU 31 -11.135 23.195 -23.217 251 HD23 LEU 31 HD23 LEU 31 -11.339 22.594 -24.862 252 H THR 32 H THR 32 -16.566 24.543 -24.376 253 HA THR 32 HA THR 32 -16.655 27.291 -23.469 254 HB THR 32 HB THR 32 -18.916 27.327 -24.098 255 HG1 THR 32 HG1 THR 32 -18.967 24.488 -24.244 256 HG21 THR 32 HG21 THR 32 -18.189 25.250 -26.068 257 HG22 THR 32 HG22 THR 32 -17.055 26.589 -25.902 258 HG23 THR 32 HG23 THR 32 -18.738 26.906 -26.319 259 H ALA 33 H ALA 33 -18.555 27.798 -21.892 260 HA ALA 33 HA ALA 33 -17.877 26.991 -19.354 261 HB1 ALA 33 HB1 ALA 33 -20.506 28.014 -20.403 262 HB2 ALA 33 HB2 ALA 33 -20.163 27.793 -18.686 263 HB3 ALA 33 HB3 ALA 33 -19.211 28.934 -19.636 264 H GLU 34 H GLU 34 -20.037 25.441 -21.628 265 HA GLU 34 HA GLU 34 -21.220 23.647 -19.750 266 HB2 GLU 34 HB2 GLU 34 -21.678 24.348 -22.404 267 HB3 GLU 34 HB3 GLU 34 -21.166 22.668 -22.486 268 HG2 GLU 34 HG2 GLU 34 -22.903 22.062 -20.877 269 HG3 GLU 34 HG3 GLU 34 -23.420 23.745 -20.808 270 H GLU 35 H GLU 35 -18.649 23.307 -22.183 271 HA GLU 35 HA GLU 35 -18.069 20.602 -21.579 272 HB2 GLU 35 HB2 GLU 35 -16.493 22.765 -22.967 273 HB3 GLU 35 HB3 GLU 35 -15.881 21.128 -22.772 274 HG2 GLU 35 HG2 GLU 35 -17.036 20.422 -24.519 275 HG3 GLU 35 HG3 GLU 35 -18.537 21.060 -23.850 276 H LEU 36 H LEU 36 -16.928 23.657 -20.304 277 HA LEU 36 HA LEU 36 -14.730 22.563 -18.847 278 HB2 LEU 36 HB2 LEU 36 -14.669 24.871 -19.444 279 HB3 LEU 36 HB3 LEU 36 -16.214 25.175 -18.652 280 HG LEU 36 HG LEU 36 -14.903 24.437 -16.501 281 HD11 LEU 36 HD11 LEU 36 -12.524 25.661 -17.082 282 HD12 LEU 36 HD12 LEU 36 -12.815 24.686 -18.523 283 HD13 LEU 36 HD13 LEU 36 -12.775 23.921 -16.934 284 HD21 LEU 36 HD21 LEU 36 -14.455 27.124 -17.795 285 HD22 LEU 36 HD22 LEU 36 -14.373 26.759 -16.071 286 HD23 LEU 36 HD23 LEU 36 -15.912 26.643 -16.925 287 H GLY 37 H GLY 37 -18.118 23.147 -18.172 288 HA2 GLY 37 HA2 GLY 37 -17.952 22.795 -15.349 289 HA3 GLY 37 HA3 GLY 37 -19.415 22.714 -16.319 290 H THR 38 H THR 38 -18.490 20.600 -18.048 291 HA THR 38 HA THR 38 -19.182 18.372 -16.376 292 HB THR 38 HB THR 38 -20.049 18.433 -18.635 293 HG1 THR 38 HG1 THR 38 -19.859 16.342 -18.206 294 HG21 THR 38 HG21 THR 38 -18.599 18.227 -20.587 295 HG22 THR 38 HG22 THR 38 -17.174 18.272 -19.549 296 HG23 THR 38 HG23 THR 38 -18.214 19.690 -19.681 297 H VAL 39 H VAL 39 -16.274 19.501 -18.028 298 HA VAL 39 HA VAL 39 -14.712 17.195 -17.374 299 HB VAL 39 HB VAL 39 -14.224 18.710 -19.303 300 HG11 VAL 39 HG11 VAL 39 -13.193 20.816 -18.999 301 HG12 VAL 39 HG12 VAL 39 -14.609 20.811 -17.945 302 HG13 VAL 39 HG13 VAL 39 -13.003 20.555 -17.265 303 HG21 VAL 39 HG21 VAL 39 -12.307 17.685 -17.342 304 HG22 VAL 39 HG22 VAL 39 -12.376 17.459 -19.090 305 HG23 VAL 39 HG23 VAL 39 -11.650 18.919 -18.418 306 H MET 40 H MET 40 -15.304 20.318 -15.893 307 HA MET 40 HA MET 40 -13.188 20.166 -13.994 308 HB2 MET 40 HB2 MET 40 -14.258 22.292 -14.662 309 HB3 MET 40 HB3 MET 40 -15.746 21.776 -13.881 310 HG2 MET 40 HG2 MET 40 -14.987 22.873 -12.103 311 HG3 MET 40 HG3 MET 40 -13.919 21.491 -11.875 312 HE1 MET 40 HE1 MET 40 -10.544 22.822 -12.051 313 HE2 MET 40 HE2 MET 40 -11.724 21.643 -11.478 314 HE3 MET 40 HE3 MET 40 -11.199 21.617 -13.160 315 H ARG 41 H ARG 41 -16.604 19.277 -13.961 316 HA ARG 41 HA ARG 41 -16.942 18.745 -11.263 317 HB2 ARG 41 HB2 ARG 41 -18.166 17.574 -13.740 318 HB3 ARG 41 HB3 ARG 41 -18.591 16.944 -12.154 319 HG2 ARG 41 HG2 ARG 41 -19.626 18.911 -11.505 320 HG3 ARG 41 HG3 ARG 41 -18.774 19.873 -12.714 321 HD2 ARG 41 HD2 ARG 41 -20.807 19.736 -13.730 322 HD3 ARG 41 HD3 ARG 41 -20.078 18.262 -14.367 323 HE ARG 41 HE ARG 41 -21.416 17.711 -11.943 324 HH11 ARG 41 HH11 ARG 41 -22.036 18.471 -15.282 325 HH12 ARG 41 HH12 ARG 41 -23.559 17.646 -15.323 326 HH21 ARG 41 HH21 ARG 41 -23.419 16.623 -11.983 327 HH22 ARG 41 HH22 ARG 41 -24.346 16.597 -13.445 328 H ALA 42 H ALA 42 -15.376 16.835 -13.747 329 HA ALA 42 HA ALA 42 -15.235 14.365 -12.475 330 HB1 ALA 42 HB1 ALA 42 -12.979 15.451 -14.128 331 HB2 ALA 42 HB2 ALA 42 -13.567 13.792 -14.008 332 HB3 ALA 42 HB3 ALA 42 -14.527 15.009 -14.849 333 H LEU 43 H LEU 43 -13.565 17.317 -11.801 334 HA LEU 43 HA LEU 43 -11.787 15.916 -9.921 335 HB2 LEU 43 HB2 LEU 43 -11.538 18.442 -11.477 336 HB3 LEU 43 HB3 LEU 43 -10.704 18.317 -9.929 337 HG LEU 43 HG LEU 43 -9.521 16.312 -10.782 338 HD11 LEU 43 HD11 LEU 43 -10.805 15.366 -12.440 339 HD12 LEU 43 HD12 LEU 43 -9.575 16.206 -13.386 340 HD13 LEU 43 HD13 LEU 43 -11.177 16.919 -13.189 341 HD21 LEU 43 HD21 LEU 43 -8.804 18.204 -12.860 342 HD22 LEU 43 HD22 LEU 43 -7.880 17.656 -11.461 343 HD23 LEU 43 HD23 LEU 43 -9.028 18.984 -11.293 344 H GLY 44 H GLY 44 -14.267 18.346 -10.239 345 HA2 GLY 44 HA2 GLY 44 -14.722 18.275 -7.383 346 HA3 GLY 44 HA3 GLY 44 -14.167 19.831 -7.986 347 H ALA 45 H ALA 45 -16.780 17.525 -7.952 348 HA ALA 45 HA ALA 45 -18.498 19.438 -9.379 349 HB1 ALA 45 HB1 ALA 45 -19.916 17.662 -9.962 350 HB2 ALA 45 HB2 ALA 45 -18.284 17.026 -10.171 351 HB3 ALA 45 HB3 ALA 45 -19.222 16.594 -8.742 352 H ASN 46 H ASN 46 -17.750 19.912 -6.672 353 HA ASN 46 HA ASN 46 -19.767 19.047 -4.871 354 HB2 ASN 46 HB2 ASN 46 -17.407 20.708 -4.778 355 HB3 ASN 46 HB3 ASN 46 -18.731 21.479 -3.911 356 HD21 ASN 46 HD21 ASN 46 -19.891 20.082 -2.346 357 HD22 ASN 46 HD22 ASN 46 -18.954 18.961 -1.425 358 HA PRO 47 HA PRO 47 -21.685 23.430 -5.518 359 HB2 PRO 47 HB2 PRO 47 -20.675 24.956 -7.524 360 HB3 PRO 47 HB3 PRO 47 -20.038 24.992 -5.876 361 HG2 PRO 47 HG2 PRO 47 -18.997 23.539 -8.276 362 HG3 PRO 47 HG3 PRO 47 -18.103 24.450 -7.045 363 HD2 PRO 47 HD2 PRO 47 -18.265 21.747 -7.026 364 HD3 PRO 47 HD3 PRO 47 -18.156 22.707 -5.538 365 H THR 48 H THR 48 -22.736 24.672 -7.588 366 HA THR 48 HA THR 48 -23.858 22.503 -9.210 367 HB THR 48 HB THR 48 -25.021 25.245 -9.283 368 HG1 THR 48 HG1 THR 48 -24.859 23.613 -7.011 369 HG21 THR 48 HG21 THR 48 -26.719 24.137 -10.205 370 HG22 THR 48 HG22 THR 48 -26.848 23.088 -8.795 371 HG23 THR 48 HG23 THR 48 -25.760 22.660 -10.114 372 H LYS 49 H LYS 49 -24.253 22.830 -11.476 373 HA LYS 49 HA LYS 49 -22.027 23.816 -12.877 374 HB2 LYS 49 HB2 LYS 49 -23.815 22.062 -13.572 375 HB3 LYS 49 HB3 LYS 49 -24.716 23.452 -14.167 376 HG2 LYS 49 HG2 LYS 49 -23.608 22.920 -16.066 377 HG3 LYS 49 HG3 LYS 49 -22.390 23.970 -15.339 378 HD2 LYS 49 HD2 LYS 49 -20.986 22.241 -14.863 379 HD3 LYS 49 HD3 LYS 49 -22.307 21.097 -14.611 380 HE2 LYS 49 HE2 LYS 49 -21.392 22.148 -17.287 381 HE3 LYS 49 HE3 LYS 49 -20.969 20.575 -16.613 382 HZ1 LYS 49 HZ1 LYS 49 -22.751 20.065 -17.943 383 HZ2 LYS 49 HZ2 LYS 49 -23.559 21.519 -17.635 384 HZ3 LYS 49 HZ3 LYS 49 -23.527 20.304 -16.459 385 H GLN 50 H GLN 50 -25.136 25.249 -12.101 386 HA GLN 50 HA GLN 50 -24.917 27.482 -13.837 387 HB2 GLN 50 HB2 GLN 50 -27.060 26.727 -12.884 388 HB3 GLN 50 HB3 GLN 50 -26.506 27.192 -11.281 389 HG2 GLN 50 HG2 GLN 50 -26.429 29.510 -11.930 390 HG3 GLN 50 HG3 GLN 50 -26.844 29.089 -13.591 391 HE21 GLN 50 HE21 GLN 50 -28.947 28.456 -14.078 392 HE22 GLN 50 HE22 GLN 50 -30.268 28.763 -13.008 393 H LYS 51 H LYS 51 -23.872 26.846 -10.548 394 HA LYS 51 HA LYS 51 -23.197 29.531 -9.901 395 HB2 LYS 51 HB2 LYS 51 -21.963 27.057 -8.696 396 HB3 LYS 51 HB3 LYS 51 -22.154 28.639 -7.951 397 HG2 LYS 51 HG2 LYS 51 -24.734 27.793 -8.666 398 HG3 LYS 51 HG3 LYS 51 -23.933 26.399 -7.934 399 HD2 LYS 51 HD2 LYS 51 -23.714 27.423 -5.898 400 HD3 LYS 51 HD3 LYS 51 -23.656 29.042 -6.597 401 HE2 LYS 51 HE2 LYS 51 -26.137 27.337 -6.546 402 HE3 LYS 51 HE3 LYS 51 -25.734 28.504 -5.289 403 HZ1 LYS 51 HZ1 LYS 51 -25.633 30.202 -7.107 404 HZ2 LYS 51 HZ2 LYS 51 -27.175 29.583 -6.792 405 HZ3 LYS 51 HZ3 LYS 51 -26.310 29.050 -8.144 406 H ILE 52 H ILE 52 -21.271 26.748 -10.991 407 HA ILE 52 HA ILE 52 -18.815 28.173 -11.084 408 HB ILE 52 HB ILE 52 -17.938 26.268 -12.323 409 HG12 ILE 52 HG12 ILE 52 -20.817 25.341 -12.427 410 HG13 ILE 52 HG13 ILE 52 -19.845 25.861 -13.799 411 HG21 ILE 52 HG21 ILE 52 -19.464 24.653 -10.511 412 HG22 ILE 52 HG22 ILE 52 -17.785 25.177 -10.397 413 HG23 ILE 52 HG23 ILE 52 -19.073 26.200 -9.760 414 HD11 ILE 52 HD11 ILE 52 -19.141 23.790 -14.082 415 HD12 ILE 52 HD12 ILE 52 -18.442 23.793 -12.464 416 HD13 ILE 52 HD13 ILE 52 -20.110 23.272 -12.704 417 H SER 53 H SER 53 -21.404 27.625 -13.376 418 HA SER 53 HA SER 53 -20.045 28.414 -15.716 419 HB2 SER 53 HB2 SER 53 -22.272 28.690 -16.697 420 HB3 SER 53 HB3 SER 53 -22.203 27.211 -15.740 421 HG SER 53 HG SER 53 -23.929 29.155 -15.501 422 H GLU 54 H GLU 54 -21.831 30.227 -13.276 423 HA GLU 54 HA GLU 54 -21.729 32.712 -14.678 424 HB2 GLU 54 HB2 GLU 54 -23.124 31.766 -12.508 425 HB3 GLU 54 HB3 GLU 54 -21.972 32.865 -11.761 426 HG2 GLU 54 HG2 GLU 54 -23.349 34.520 -12.258 427 HG3 GLU 54 HG3 GLU 54 -22.957 34.257 -13.956 428 H ILE 55 H ILE 55 -19.672 31.074 -12.376 429 HA ILE 55 HA ILE 55 -18.056 33.340 -11.740 430 HB ILE 55 HB ILE 55 -17.446 30.396 -11.453 431 HG12 ILE 55 HG12 ILE 55 -18.157 32.230 -9.195 432 HG13 ILE 55 HG13 ILE 55 -19.441 31.566 -10.201 433 HG21 ILE 55 HG21 ILE 55 -15.870 31.388 -9.644 434 HG22 ILE 55 HG22 ILE 55 -15.362 31.386 -11.331 435 HG23 ILE 55 HG23 ILE 55 -15.992 32.864 -10.600 436 HD11 ILE 55 HD11 ILE 55 -19.418 29.837 -8.811 437 HD12 ILE 55 HD12 ILE 55 -17.916 29.362 -9.603 438 HD13 ILE 55 HD13 ILE 55 -17.868 30.310 -8.116 439 H VAL 56 H VAL 56 -17.950 30.817 -14.173 440 HA VAL 56 HA VAL 56 -15.293 31.357 -15.059 441 HB VAL 56 HB VAL 56 -17.567 29.971 -16.485 442 HG11 VAL 56 HG11 VAL 56 -14.621 30.050 -17.124 443 HG12 VAL 56 HG12 VAL 56 -15.810 29.016 -17.919 444 HG13 VAL 56 HG13 VAL 56 -15.920 30.770 -18.075 445 HG21 VAL 56 HG21 VAL 56 -16.939 28.020 -15.509 446 HG22 VAL 56 HG22 VAL 56 -15.244 28.495 -15.398 447 HG23 VAL 56 HG23 VAL 56 -16.411 29.117 -14.232 448 H LYS 57 H LYS 57 -18.513 32.342 -16.158 449 HA LYS 57 HA LYS 57 -17.542 33.842 -18.389 450 HB2 LYS 57 HB2 LYS 57 -20.213 33.919 -16.974 451 HB3 LYS 57 HB3 LYS 57 -19.860 34.720 -18.499 452 HG2 LYS 57 HG2 LYS 57 -19.850 31.755 -17.978 453 HG3 LYS 57 HG3 LYS 57 -21.036 32.667 -18.917 454 HD2 LYS 57 HD2 LYS 57 -18.108 32.357 -19.584 455 HD3 LYS 57 HD3 LYS 57 -19.442 31.513 -20.371 456 HE2 LYS 57 HE2 LYS 57 -18.869 34.470 -20.396 457 HE3 LYS 57 HE3 LYS 57 -18.803 33.354 -21.759 458 HZ1 LYS 57 HZ1 LYS 57 -21.083 34.663 -20.554 459 HZ2 LYS 57 HZ2 LYS 57 -21.322 33.028 -20.915 460 HZ3 LYS 57 HZ3 LYS 57 -20.864 34.104 -22.136 461 H ASP 58 H ASP 58 -17.887 34.457 -15.028 462 HA ASP 58 HA ASP 58 -17.801 37.352 -15.371 463 HB2 ASP 58 HB2 ASP 58 -19.215 36.165 -13.601 464 HB3 ASP 58 HB3 ASP 58 -17.700 35.852 -12.757 465 H TYR 59 H TYR 59 -15.725 34.679 -14.602 466 HA TYR 59 HA TYR 59 -13.580 36.417 -13.680 467 HB2 TYR 59 HB2 TYR 59 -14.000 34.230 -12.575 468 HB3 TYR 59 HB3 TYR 59 -13.582 33.418 -14.079 469 HD1 TYR 59 HD1 TYR 59 -12.182 35.814 -11.586 470 HD2 TYR 59 HD2 TYR 59 -11.382 32.775 -14.453 471 HE1 TYR 59 HE1 TYR 59 -9.815 35.819 -10.920 472 HE2 TYR 59 HE2 TYR 59 -9.012 32.771 -13.795 473 HH TYR 59 HH TYR 59 -7.551 33.448 -12.169 474 H ASP 60 H ASP 60 -14.534 34.604 -16.501 475 HA ASP 60 HA ASP 60 -11.975 35.134 -17.813 476 HB2 ASP 60 HB2 ASP 60 -14.368 33.558 -18.786 477 HB3 ASP 60 HB3 ASP 60 -12.811 33.674 -19.602 478 H LYS 61 H LYS 61 -13.857 37.281 -17.172 479 HA LYS 61 HA LYS 61 -15.224 38.090 -19.527 480 HB2 LYS 61 HB2 LYS 61 -15.423 40.276 -18.396 481 HB3 LYS 61 HB3 LYS 61 -15.888 38.940 -17.352 482 HG2 LYS 61 HG2 LYS 61 -13.514 39.051 -16.432 483 HG3 LYS 61 HG3 LYS 61 -13.401 40.611 -17.250 484 HD2 LYS 61 HD2 LYS 61 -14.995 41.588 -15.885 485 HD3 LYS 61 HD3 LYS 61 -15.718 40.038 -15.448 486 HE2 LYS 61 HE2 LYS 61 -13.406 39.586 -14.338 487 HE3 LYS 61 HE3 LYS 61 -13.239 41.341 -14.400 488 HZ1 LYS 61 HZ1 LYS 61 -15.345 39.783 -13.008 489 HZ2 LYS 61 HZ2 LYS 61 -15.414 41.460 -13.222 490 HZ3 LYS 61 HZ3 LYS 61 -14.167 40.775 -12.308 491 H ASP 62 H ASP 62 -11.957 38.007 -18.742 492 HA ASP 62 HA ASP 62 -11.135 40.339 -20.212 493 HB2 ASP 62 HB2 ASP 62 -8.900 39.670 -19.727 494 HB3 ASP 62 HB3 ASP 62 -9.852 39.306 -18.291 495 H ASN 63 H ASN 63 -12.134 37.228 -21.047 496 HA ASN 63 HA ASN 63 -11.143 37.618 -23.777 497 HB2 ASN 63 HB2 ASN 63 -10.587 35.308 -21.987 498 HB3 ASN 63 HB3 ASN 63 -10.947 34.948 -23.674 499 HD21 ASN 63 HD21 ASN 63 -8.465 34.695 -22.100 500 HD22 ASN 63 HD22 ASN 63 -7.272 35.584 -22.979 501 H SER 64 H SER 64 -12.878 34.972 -22.155 502 HA SER 64 HA SER 64 -15.461 35.665 -22.960 503 HB2 SER 64 HB2 SER 64 -13.972 34.915 -25.163 504 HB3 SER 64 HB3 SER 64 -14.808 33.426 -24.728 505 HG SER 64 HG SER 64 -16.672 34.302 -25.245 506 H GLY 65 H GLY 65 -16.670 33.263 -23.411 507 HA2 GLY 65 HA2 GLY 65 -16.209 31.925 -20.854 508 HA3 GLY 65 HA3 GLY 65 -17.623 31.745 -21.881 509 H LYS 66 H LYS 66 -14.236 31.436 -22.837 510 HA LYS 66 HA LYS 66 -14.747 28.590 -23.413 511 HB2 LYS 66 HB2 LYS 66 -13.369 30.708 -25.020 512 HB3 LYS 66 HB3 LYS 66 -12.867 29.031 -25.192 513 HG2 LYS 66 HG2 LYS 66 -14.456 28.891 -26.743 514 HG3 LYS 66 HG3 LYS 66 -15.594 28.856 -25.393 515 HD2 LYS 66 HD2 LYS 66 -16.514 30.688 -26.272 516 HD3 LYS 66 HD3 LYS 66 -15.062 31.553 -25.763 517 HE2 LYS 66 HE2 LYS 66 -14.041 30.843 -27.973 518 HE3 LYS 66 HE3 LYS 66 -15.661 30.339 -28.450 519 HZ1 LYS 66 HZ1 LYS 66 -14.538 32.953 -28.376 520 HZ2 LYS 66 HZ2 LYS 66 -15.965 32.882 -27.469 521 HZ3 LYS 66 HZ3 LYS 66 -15.973 32.423 -29.097 522 H PHE 67 H PHE 67 -12.698 27.287 -23.568 523 HA PHE 67 HA PHE 67 -10.630 28.265 -21.725 524 HB2 PHE 67 HB2 PHE 67 -12.498 26.141 -21.232 525 HB3 PHE 67 HB3 PHE 67 -10.870 25.475 -21.320 526 HD1 PHE 67 HD1 PHE 67 -12.581 28.442 -19.831 527 HD2 PHE 67 HD2 PHE 67 -9.727 25.322 -19.346 528 HE1 PHE 67 HE1 PHE 67 -12.154 29.197 -17.529 529 HE2 PHE 67 HE2 PHE 67 -9.296 26.071 -17.042 530 HZ PHE 67 HZ PHE 67 -10.510 28.010 -16.130 531 H ASP 68 H ASP 68 -8.572 27.763 -22.268 532 HA ASP 68 HA ASP 68 -8.206 26.138 -24.698 533 HB2 ASP 68 HB2 ASP 68 -7.568 28.483 -24.994 534 HB3 ASP 68 HB3 ASP 68 -6.485 28.377 -23.609 535 H GLN 69 H GLN 69 -6.796 24.462 -24.699 536 HA GLN 69 HA GLN 69 -6.177 23.087 -22.411 537 HB2 GLN 69 HB2 GLN 69 -4.477 23.043 -24.906 538 HB3 GLN 69 HB3 GLN 69 -4.667 21.753 -23.726 539 HG2 GLN 69 HG2 GLN 69 -6.355 20.927 -24.882 540 HG3 GLN 69 HG3 GLN 69 -7.242 22.439 -24.693 541 HE21 GLN 69 HE21 GLN 69 -4.523 21.158 -26.587 542 HE22 GLN 69 HE22 GLN 69 -5.016 21.860 -28.086 543 H GLU 70 H GLU 70 -4.113 25.391 -24.149 544 HA GLU 70 HA GLU 70 -1.792 25.136 -22.662 545 HB2 GLU 70 HB2 GLU 70 -3.024 27.348 -24.235 546 HB3 GLU 70 HB3 GLU 70 -1.655 27.735 -23.202 547 HG2 GLU 70 HG2 GLU 70 -0.561 25.680 -24.394 548 HG3 GLU 70 HG3 GLU 70 -1.774 26.016 -25.628 549 H THR 71 H THR 71 -4.705 26.988 -21.959 550 HA THR 71 HA THR 71 -3.723 28.415 -19.739 551 HB THR 71 HB THR 71 -6.557 27.540 -20.332 552 HG1 THR 71 HG1 THR 71 -4.941 29.671 -21.162 553 HG21 THR 71 HG21 THR 71 -6.990 29.672 -18.899 554 HG22 THR 71 HG22 THR 71 -5.380 29.348 -18.257 555 HG23 THR 71 HG23 THR 71 -6.655 28.139 -18.095 556 H PHE 72 H PHE 72 -5.436 25.313 -19.964 557 HA PHE 72 HA PHE 72 -5.541 24.842 -17.177 558 HB2 PHE 72 HB2 PHE 72 -6.824 23.702 -19.161 559 HB3 PHE 72 HB3 PHE 72 -5.454 22.596 -19.159 560 HD1 PHE 72 HD1 PHE 72 -4.810 21.779 -16.673 561 HD2 PHE 72 HD2 PHE 72 -8.660 23.054 -17.965 562 HE1 PHE 72 HE1 PHE 72 -5.844 20.499 -14.843 563 HE2 PHE 72 HE2 PHE 72 -9.700 21.777 -16.137 564 HZ PHE 72 HZ PHE 72 -8.292 20.496 -14.574 565 H LEU 73 H LEU 73 -3.237 23.915 -19.692 566 HA LEU 73 HA LEU 73 -1.635 22.244 -18.070 567 HB2 LEU 73 HB2 LEU 73 -1.397 23.545 -20.709 568 HB3 LEU 73 HB3 LEU 73 0.117 23.114 -19.918 569 HG LEU 73 HG LEU 73 -1.416 20.817 -19.706 570 HD11 LEU 73 HD11 LEU 73 -3.089 21.546 -21.221 571 HD12 LEU 73 HD12 LEU 73 -2.057 20.421 -22.102 572 HD13 LEU 73 HD13 LEU 73 -1.887 22.156 -22.359 573 HD21 LEU 73 HD21 LEU 73 0.116 20.098 -21.658 574 HD22 LEU 73 HD22 LEU 73 0.853 20.603 -20.137 575 HD23 LEU 73 HD23 LEU 73 0.801 21.717 -21.505 576 H THR 74 H THR 74 -1.643 25.698 -18.685 577 HA THR 74 HA THR 74 0.868 26.232 -17.443 578 HB THR 74 HB THR 74 -1.450 28.110 -17.945 579 HG1 THR 74 HG1 THR 74 0.768 27.284 -19.499 580 HG21 THR 74 HG21 THR 74 -0.214 29.421 -16.572 581 HG22 THR 74 HG22 THR 74 0.759 29.654 -18.023 582 HG23 THR 74 HG23 THR 74 1.254 28.472 -16.811 583 H ILE 75 H ILE 75 -2.490 26.262 -16.348 584 HA ILE 75 HA ILE 75 -1.980 27.372 -13.792 585 HB ILE 75 HB ILE 75 -4.262 25.608 -14.690 586 HG12 ILE 75 HG12 ILE 75 -4.496 28.552 -14.257 587 HG13 ILE 75 HG13 ILE 75 -3.722 27.988 -15.733 588 HG21 ILE 75 HG21 ILE 75 -4.599 25.477 -12.462 589 HG22 ILE 75 HG22 ILE 75 -3.620 26.903 -12.123 590 HG23 ILE 75 HG23 ILE 75 -5.279 27.089 -12.688 591 HD11 ILE 75 HD11 ILE 75 -5.728 26.685 -16.266 592 HD12 ILE 75 HD12 ILE 75 -6.501 27.307 -14.809 593 HD13 ILE 75 HD13 ILE 75 -6.065 28.409 -16.114 594 H MET 76 H MET 76 -2.388 24.018 -14.902 595 HA MET 76 HA MET 76 -1.983 22.851 -12.350 596 HB2 MET 76 HB2 MET 76 -1.682 20.741 -13.613 597 HB3 MET 76 HB3 MET 76 -3.130 21.618 -14.087 598 HG2 MET 76 HG2 MET 76 -2.367 21.117 -16.148 599 HG3 MET 76 HG3 MET 76 -1.456 22.605 -15.900 600 HE1 MET 76 HE1 MET 76 -1.538 19.740 -17.386 601 HE2 MET 76 HE2 MET 76 0.119 19.810 -17.986 602 HE3 MET 76 HE3 MET 76 -0.347 18.565 -16.826 603 H LEU 77 H LEU 77 0.159 23.932 -14.867 604 HA LEU 77 HA LEU 77 2.462 22.517 -13.897 605 HB2 LEU 77 HB2 LEU 77 2.347 23.085 -16.223 606 HB3 LEU 77 HB3 LEU 77 2.145 24.794 -15.842 607 HG LEU 77 HG LEU 77 4.573 24.079 -14.670 608 HD11 LEU 77 HD11 LEU 77 4.764 22.041 -15.850 609 HD12 LEU 77 HD12 LEU 77 5.790 23.198 -16.697 610 HD13 LEU 77 HD13 LEU 77 4.208 22.775 -17.355 611 HD21 LEU 77 HD21 LEU 77 4.082 26.216 -15.686 612 HD22 LEU 77 HD22 LEU 77 3.965 25.467 -17.278 613 HD23 LEU 77 HD23 LEU 77 5.516 25.517 -16.440 614 H GLU 78 H GLU 78 1.116 25.750 -13.527 615 HA GLU 78 HA GLU 78 3.367 26.805 -12.119 616 HB2 GLU 78 HB2 GLU 78 0.722 27.744 -12.954 617 HB3 GLU 78 HB3 GLU 78 1.233 28.390 -11.401 618 HG2 GLU 78 HG2 GLU 78 2.772 28.568 -13.981 619 HG3 GLU 78 HG3 GLU 78 1.854 29.869 -13.225 620 H TYR 79 H TYR 79 0.474 25.085 -11.232 621 HA TYR 79 HA TYR 79 0.654 25.701 -8.429 622 HB2 TYR 79 HB2 TYR 79 -1.245 24.468 -10.168 623 HB3 TYR 79 HB3 TYR 79 -0.890 23.347 -8.859 624 HD1 TYR 79 HD1 TYR 79 -1.907 26.864 -9.526 625 HD2 TYR 79 HD2 TYR 79 -1.892 23.626 -6.766 626 HE1 TYR 79 HE1 TYR 79 -3.413 28.126 -8.046 627 HE2 TYR 79 HE2 TYR 79 -3.399 24.878 -5.279 628 HH TYR 79 HH TYR 79 -4.530 26.757 -4.962 629 H GLY 80 H GLY 80 1.832 23.206 -10.564 630 HA2 GLY 80 HA2 GLY 80 2.375 21.138 -8.808 631 HA3 GLY 80 HA3 GLY 80 3.355 21.522 -10.215 632 H GLN 81 H GLN 81 4.013 24.202 -9.134 633 HA GLN 81 HA GLN 81 6.263 23.354 -7.516 634 HB2 GLN 81 HB2 GLN 81 5.593 25.658 -9.189 635 HB3 GLN 81 HB3 GLN 81 6.416 26.101 -7.699 636 HG2 GLN 81 HG2 GLN 81 7.549 23.866 -9.277 637 HG3 GLN 81 HG3 GLN 81 7.721 25.498 -9.922 638 HE21 GLN 81 HE21 GLN 81 9.732 23.629 -8.890 639 HE22 GLN 81 HE22 GLN 81 10.551 24.473 -7.624 640 H GLU 82 H GLU 82 3.231 25.005 -7.116 641 HA GLU 82 HA GLU 82 2.116 25.749 -5.278 642 HB2 GLU 82 HB2 GLU 82 3.368 23.464 -4.466 643 HB3 GLU 82 HB3 GLU 82 3.989 24.628 -3.304 644 HG2 GLU 82 HG2 GLU 82 2.140 24.044 -2.170 645 HG3 GLU 82 HG3 GLU 82 1.393 25.261 -3.202 646 H VAL 83 H VAL 83 2.398 27.064 -3.209 647 HA VAL 83 HA VAL 83 4.088 29.280 -3.793 648 HB VAL 83 HB VAL 83 3.251 30.253 -1.715 649 HG11 VAL 83 HG11 VAL 83 1.825 29.817 -3.940 650 HG12 VAL 83 HG12 VAL 83 0.796 28.988 -2.769 651 HG13 VAL 83 HG13 VAL 83 1.192 30.693 -2.547 652 HG21 VAL 83 HG21 VAL 83 2.436 27.441 -1.191 653 HG22 VAL 83 HG22 VAL 83 3.106 28.648 -0.094 654 HG23 VAL 83 HG23 VAL 83 1.411 28.737 -0.575 655 H ASP 84 H ASP 84 4.407 26.444 -1.835 656 HA ASP 84 HA ASP 84 6.302 27.264 0.032 657 HB2 ASP 84 HB2 ASP 84 6.339 24.552 -1.286 658 HB3 ASP 84 HB3 ASP 84 6.797 24.968 0.363 659 H SER 85 H SER 85 8.442 27.652 -0.016 660 HA SER 85 HA SER 85 10.237 26.682 -1.957 661 HB2 SER 85 HB2 SER 85 8.700 28.798 -2.923 662 HB3 SER 85 HB3 SER 85 10.227 29.546 -2.455 663 HG SER 85 HG SER 85 9.923 28.498 -4.673 Start of MODEL 19 1 H1 MET 1 H1 MET 1 5.809 -2.217 -5.757 2 HA MET 1 HA MET 1 6.423 0.270 -6.700 3 HB2 MET 1 HB2 MET 1 5.387 -1.520 -8.851 4 HB3 MET 1 HB3 MET 1 4.868 0.160 -8.839 5 HG2 MET 1 HG2 MET 1 7.063 0.950 -9.123 6 HG3 MET 1 HG3 MET 1 7.760 -0.620 -8.734 7 HE1 MET 1 HE1 MET 1 9.107 0.365 -11.406 8 HE2 MET 1 HE2 MET 1 9.202 -1.114 -10.450 9 HE3 MET 1 HE3 MET 1 8.890 -1.204 -12.183 10 H SER 2 H SER 2 5.030 1.520 -5.654 11 HA SER 2 HA SER 2 2.187 0.932 -5.705 12 HB2 SER 2 HB2 SER 2 1.952 1.032 -3.257 13 HB3 SER 2 HB3 SER 2 2.967 -0.325 -3.742 14 HG SER 2 HG SER 2 4.287 0.527 -2.332 15 H GLU 3 H GLU 3 3.887 3.016 -6.771 16 HA GLU 3 HA GLU 3 2.465 5.295 -5.664 17 HB2 GLU 3 HB2 GLU 3 5.070 4.799 -4.834 18 HB3 GLU 3 HB3 GLU 3 5.255 6.000 -6.105 19 HG2 GLU 3 HG2 GLU 3 3.280 7.161 -4.773 20 HG3 GLU 3 HG3 GLU 3 3.970 6.227 -3.448 21 H GLN 4 H GLN 4 1.855 6.680 -7.215 22 HA GLN 4 HA GLN 4 3.345 6.832 -9.712 23 HB2 GLN 4 HB2 GLN 4 0.461 5.963 -9.528 24 HB3 GLN 4 HB3 GLN 4 1.183 6.579 -11.009 25 HG2 GLN 4 HG2 GLN 4 2.751 4.758 -11.061 26 HG3 GLN 4 HG3 GLN 4 2.181 4.177 -9.498 27 HE21 GLN 4 HE21 GLN 4 2.157 2.335 -11.315 28 HE22 GLN 4 HE22 GLN 4 0.578 2.037 -11.952 29 H LYS 5 H LYS 5 3.009 8.736 -10.870 30 HA LYS 5 HA LYS 5 1.534 10.812 -9.391 31 HB2 LYS 5 HB2 LYS 5 4.065 11.011 -9.706 32 HB3 LYS 5 HB3 LYS 5 3.722 11.302 -11.406 33 HG2 LYS 5 HG2 LYS 5 2.778 13.356 -11.007 34 HG3 LYS 5 HG3 LYS 5 2.340 12.952 -9.345 35 HD2 LYS 5 HD2 LYS 5 5.216 13.148 -10.167 36 HD3 LYS 5 HD3 LYS 5 4.293 14.598 -9.765 37 HE2 LYS 5 HE2 LYS 5 4.479 12.209 -7.943 38 HE3 LYS 5 HE3 LYS 5 5.614 13.556 -7.878 39 HZ1 LYS 5 HZ1 LYS 5 4.037 14.969 -7.065 40 HZ2 LYS 5 HZ2 LYS 5 3.497 13.520 -6.377 41 HZ3 LYS 5 HZ3 LYS 5 2.741 14.132 -7.761 42 H LYS 6 H LYS 6 -0.394 11.156 -10.279 43 HA LYS 6 HA LYS 6 -0.713 10.930 -13.180 44 HB2 LYS 6 HB2 LYS 6 -2.888 11.384 -11.139 45 HB3 LYS 6 HB3 LYS 6 -3.065 10.808 -12.791 46 HG2 LYS 6 HG2 LYS 6 -1.796 9.326 -10.500 47 HG3 LYS 6 HG3 LYS 6 -3.355 8.981 -11.252 48 HD2 LYS 6 HD2 LYS 6 -1.868 8.822 -13.432 49 HD3 LYS 6 HD3 LYS 6 -0.599 8.471 -12.257 50 HE2 LYS 6 HE2 LYS 6 -1.950 6.647 -11.345 51 HE3 LYS 6 HE3 LYS 6 -3.224 7.004 -12.510 52 HZ1 LYS 6 HZ1 LYS 6 -0.676 5.658 -12.904 53 HZ2 LYS 6 HZ2 LYS 6 -1.170 6.691 -14.148 54 HZ3 LYS 6 HZ3 LYS 6 -2.163 5.409 -13.670 55 H VAL 7 H VAL 7 0.655 13.195 -11.861 56 HA VAL 7 HA VAL 7 -0.902 15.322 -13.124 57 HB VAL 7 HB VAL 7 -0.326 16.855 -11.196 58 HG11 VAL 7 HG11 VAL 7 -2.367 16.501 -10.232 59 HG12 VAL 7 HG12 VAL 7 -2.557 15.533 -11.695 60 HG13 VAL 7 HG13 VAL 7 -2.156 14.752 -10.165 61 HG21 VAL 7 HG21 VAL 7 0.749 16.121 -9.386 62 HG22 VAL 7 HG22 VAL 7 -0.298 14.709 -9.248 63 HG23 VAL 7 HG23 VAL 7 1.113 14.660 -10.307 64 H LEU 8 H LEU 8 0.322 16.919 -14.053 65 HA LEU 8 HA LEU 8 2.143 17.880 -15.017 66 HB2 LEU 8 HB2 LEU 8 2.527 18.333 -12.534 67 HB3 LEU 8 HB3 LEU 8 3.700 17.020 -12.597 68 HG LEU 8 HG LEU 8 4.648 18.508 -14.600 69 HD11 LEU 8 HD11 LEU 8 4.446 20.846 -14.185 70 HD12 LEU 8 HD12 LEU 8 3.516 20.563 -12.713 71 HD13 LEU 8 HD13 LEU 8 2.816 20.179 -14.286 72 HD21 LEU 8 HD21 LEU 8 5.599 17.753 -12.272 73 HD22 LEU 8 HD22 LEU 8 5.313 19.442 -11.851 74 HD23 LEU 8 HD23 LEU 8 6.380 19.036 -13.196 75 H THR 9 H THR 9 1.627 14.966 -15.329 76 HA THR 9 HA THR 9 4.316 14.213 -16.266 77 HB THR 9 HB THR 9 3.229 11.779 -15.914 78 HG1 THR 9 HG1 THR 9 1.821 11.728 -14.286 79 HG21 THR 9 HG21 THR 9 5.092 11.640 -14.703 80 HG22 THR 9 HG22 THR 9 4.292 12.481 -13.376 81 HG23 THR 9 HG23 THR 9 5.168 13.399 -14.600 82 H ALA 10 H ALA 10 4.156 12.380 -17.930 83 HA ALA 10 HA ALA 10 2.846 13.266 -20.194 84 HB1 ALA 10 HB1 ALA 10 3.525 11.287 -21.248 85 HB2 ALA 10 HB2 ALA 10 4.730 11.556 -19.988 86 HB3 ALA 10 HB3 ALA 10 3.456 10.361 -19.748 87 H GLU 11 H GLU 11 1.738 10.998 -17.734 88 HA GLU 11 HA GLU 11 -0.523 10.007 -19.045 89 HB2 GLU 11 HB2 GLU 11 -0.146 10.494 -16.085 90 HB3 GLU 11 HB3 GLU 11 -1.367 9.454 -16.804 91 HG2 GLU 11 HG2 GLU 11 1.371 8.833 -17.623 92 HG3 GLU 11 HG3 GLU 11 1.060 8.632 -15.900 93 H GLU 12 H GLU 12 -0.092 12.901 -17.058 94 HA GLU 12 HA GLU 12 -2.838 13.655 -17.098 95 HB2 GLU 12 HB2 GLU 12 -1.460 14.498 -15.332 96 HB3 GLU 12 HB3 GLU 12 -0.313 15.185 -16.473 97 HG2 GLU 12 HG2 GLU 12 -1.514 17.049 -16.754 98 HG3 GLU 12 HG3 GLU 12 -3.048 16.179 -16.772 99 H GLN 13 H GLN 13 -0.011 14.550 -19.024 100 HA GLN 13 HA GLN 13 -1.146 16.609 -20.520 101 HB2 GLN 13 HB2 GLN 13 1.269 16.024 -20.491 102 HB3 GLN 13 HB3 GLN 13 0.908 14.602 -21.461 103 HG2 GLN 13 HG2 GLN 13 -0.159 17.006 -22.657 104 HG3 GLN 13 HG3 GLN 13 1.577 17.125 -22.383 105 HE21 GLN 13 HE21 GLN 13 2.966 15.768 -23.486 106 HE22 GLN 13 HE22 GLN 13 2.461 14.825 -24.843 107 H GLN 14 H GLN 14 -0.898 13.150 -21.339 108 HA GLN 14 HA GLN 14 -2.416 13.365 -23.722 109 HB2 GLN 14 HB2 GLN 14 -2.550 10.880 -23.575 110 HB3 GLN 14 HB3 GLN 14 -0.913 11.509 -23.444 111 HG2 GLN 14 HG2 GLN 14 -0.785 10.100 -21.709 112 HG3 GLN 14 HG3 GLN 14 -1.592 11.406 -20.843 113 HE21 GLN 14 HE21 GLN 14 -2.677 8.913 -23.125 114 HE22 GLN 14 HE22 GLN 14 -3.933 8.293 -22.115 115 H GLU 15 H GLU 15 -3.239 12.615 -20.381 116 HA GLU 15 HA GLU 15 -5.849 11.705 -20.751 117 HB2 GLU 15 HB2 GLU 15 -4.314 12.888 -18.514 118 HB3 GLU 15 HB3 GLU 15 -6.064 12.968 -18.376 119 HG2 GLU 15 HG2 GLU 15 -5.405 10.350 -19.206 120 HG3 GLU 15 HG3 GLU 15 -4.328 10.774 -17.875 121 H TYR 16 H TYR 16 -4.604 14.997 -20.404 122 HA TYR 16 HA TYR 16 -7.198 16.211 -20.479 123 HB2 TYR 16 HB2 TYR 16 -5.285 17.285 -19.354 124 HB3 TYR 16 HB3 TYR 16 -4.469 17.448 -20.905 125 HD1 TYR 16 HD1 TYR 16 -8.044 18.059 -20.060 126 HD2 TYR 16 HD2 TYR 16 -4.324 19.752 -21.243 127 HE1 TYR 16 HE1 TYR 16 -9.148 20.230 -20.406 128 HE2 TYR 16 HE2 TYR 16 -5.417 21.928 -21.591 129 HH TYR 16 HH TYR 16 -8.816 22.290 -21.635 130 H LYS 17 H LYS 17 -4.539 15.841 -22.802 131 HA LYS 17 HA LYS 17 -5.538 17.273 -24.931 132 HB2 LYS 17 HB2 LYS 17 -3.972 14.689 -24.938 133 HB3 LYS 17 HB3 LYS 17 -4.266 15.657 -26.378 134 HG2 LYS 17 HG2 LYS 17 -3.207 17.334 -24.324 135 HG3 LYS 17 HG3 LYS 17 -2.181 15.909 -24.507 136 HD2 LYS 17 HD2 LYS 17 -3.112 17.404 -26.924 137 HD3 LYS 17 HD3 LYS 17 -1.751 18.013 -25.981 138 HE2 LYS 17 HE2 LYS 17 -1.373 15.227 -26.379 139 HE3 LYS 17 HE3 LYS 17 -1.782 15.947 -27.935 140 HZ1 LYS 17 HZ1 LYS 17 0.478 16.619 -26.150 141 HZ2 LYS 17 HZ2 LYS 17 -0.029 17.665 -27.378 142 HZ3 LYS 17 HZ3 LYS 17 0.528 16.115 -27.764 143 H GLU 18 H GLU 18 -6.162 13.860 -24.144 144 HA GLU 18 HA GLU 18 -8.002 13.517 -26.312 145 HB2 GLU 18 HB2 GLU 18 -8.289 11.310 -25.536 146 HB3 GLU 18 HB3 GLU 18 -6.608 11.700 -25.192 147 HG2 GLU 18 HG2 GLU 18 -7.149 10.778 -23.205 148 HG3 GLU 18 HG3 GLU 18 -7.660 12.431 -22.866 149 H ALA 19 H ALA 19 -8.235 14.408 -22.945 150 HA ALA 19 HA ALA 19 -10.985 13.960 -22.562 151 HB1 ALA 19 HB1 ALA 19 -9.567 14.314 -20.668 152 HB2 ALA 19 HB2 ALA 19 -9.108 15.916 -21.246 153 HB3 ALA 19 HB3 ALA 19 -10.760 15.613 -20.708 154 H PHE 20 H PHE 20 -9.231 16.922 -23.480 155 HA PHE 20 HA PHE 20 -11.631 18.427 -23.877 156 HB2 PHE 20 HB2 PHE 20 -10.262 20.224 -24.210 157 HB3 PHE 20 HB3 PHE 20 -9.099 19.165 -23.419 158 HD1 PHE 20 HD1 PHE 20 -10.187 20.567 -26.632 159 HD2 PHE 20 HD2 PHE 20 -7.249 18.240 -24.613 160 HE1 PHE 20 HE1 PHE 20 -8.713 20.729 -28.595 161 HE2 PHE 20 HE2 PHE 20 -5.771 18.399 -26.572 162 HZ PHE 20 HZ PHE 20 -6.502 19.646 -28.568 163 H GLN 21 H GLN 21 -9.500 16.534 -25.910 164 HA GLN 21 HA GLN 21 -10.498 17.447 -28.404 165 HB2 GLN 21 HB2 GLN 21 -8.371 16.385 -28.395 166 HB3 GLN 21 HB3 GLN 21 -9.005 14.963 -27.580 167 HG2 GLN 21 HG2 GLN 21 -10.318 14.417 -29.576 168 HG3 GLN 21 HG3 GLN 21 -9.643 15.826 -30.391 169 HE21 GLN 21 HE21 GLN 21 -7.855 15.552 -31.529 170 HE22 GLN 21 HE22 GLN 21 -6.798 14.188 -31.438 171 H LEU 22 H LEU 22 -11.239 14.605 -26.406 172 HA LEU 22 HA LEU 22 -13.176 13.525 -28.162 173 HB2 LEU 22 HB2 LEU 22 -12.193 12.092 -26.552 174 HB3 LEU 22 HB3 LEU 22 -12.648 13.159 -25.226 175 HG LEU 22 HG LEU 22 -15.021 12.315 -26.557 176 HD11 LEU 22 HD11 LEU 22 -14.867 9.891 -26.118 177 HD12 LEU 22 HD12 LEU 22 -13.141 10.081 -25.811 178 HD13 LEU 22 HD13 LEU 22 -13.796 10.425 -27.412 179 HD21 LEU 22 HD21 LEU 22 -15.564 11.441 -24.350 180 HD22 LEU 22 HD22 LEU 22 -14.830 13.040 -24.226 181 HD23 LEU 22 HD23 LEU 22 -13.877 11.602 -23.858 182 H PHE 23 H PHE 23 -13.329 15.863 -25.556 183 HA PHE 23 HA PHE 23 -16.220 15.937 -25.563 184 HB2 PHE 23 HB2 PHE 23 -14.048 17.203 -23.981 185 HB3 PHE 23 HB3 PHE 23 -15.565 18.090 -24.099 186 HD1 PHE 23 HD1 PHE 23 -17.655 16.238 -23.912 187 HD2 PHE 23 HD2 PHE 23 -13.857 16.089 -21.996 188 HE1 PHE 23 HE1 PHE 23 -18.613 14.838 -22.129 189 HE2 PHE 23 HE2 PHE 23 -14.808 14.687 -20.211 190 HZ PHE 23 HZ PHE 23 -17.189 14.059 -20.277 191 H ASP 24 H ASP 24 -13.864 17.156 -27.540 192 HA ASP 24 HA ASP 24 -15.630 19.334 -28.435 193 HB2 ASP 24 HB2 ASP 24 -13.458 20.054 -27.243 194 HB3 ASP 24 HB3 ASP 24 -12.635 19.482 -28.692 195 H LYS 25 H LYS 25 -16.424 17.544 -29.814 196 HA LYS 25 HA LYS 25 -14.958 16.169 -31.701 197 HB2 LYS 25 HB2 LYS 25 -16.998 15.850 -32.907 198 HB3 LYS 25 HB3 LYS 25 -17.399 15.878 -31.195 199 HG2 LYS 25 HG2 LYS 25 -17.786 18.450 -31.720 200 HG3 LYS 25 HG3 LYS 25 -18.076 17.806 -33.337 201 HD2 LYS 25 HD2 LYS 25 -19.986 16.751 -32.719 202 HD3 LYS 25 HD3 LYS 25 -19.387 16.384 -31.100 203 HE2 LYS 25 HE2 LYS 25 -19.945 18.502 -30.288 204 HE3 LYS 25 HE3 LYS 25 -20.056 19.194 -31.905 205 HZ1 LYS 25 HZ1 LYS 25 -22.247 18.937 -31.489 206 HZ2 LYS 25 HZ2 LYS 25 -22.024 17.658 -30.404 207 HZ3 LYS 25 HZ3 LYS 25 -21.958 17.374 -32.070 208 H ASP 26 H ASP 26 -15.949 19.513 -31.700 209 HA ASP 26 HA ASP 26 -15.461 20.028 -34.452 210 HB2 ASP 26 HB2 ASP 26 -15.306 22.059 -32.225 211 HB3 ASP 26 HB3 ASP 26 -15.726 22.333 -33.914 212 H ASN 27 H ASN 27 -13.818 22.201 -34.567 213 HA ASN 27 HA ASN 27 -11.203 21.106 -33.757 214 HB2 ASN 27 HB2 ASN 27 -11.898 21.174 -36.283 215 HB3 ASN 27 HB3 ASN 27 -11.513 22.887 -36.149 216 HD21 ASN 27 HD21 ASN 27 -10.281 19.680 -36.272 217 HD22 ASN 27 HD22 ASN 27 -8.605 20.092 -36.321 218 H ASP 28 H ASP 28 -13.081 23.132 -32.515 219 HA ASP 28 HA ASP 28 -11.852 25.685 -32.751 220 HB2 ASP 28 HB2 ASP 28 -13.785 24.467 -30.796 221 HB3 ASP 28 HB3 ASP 28 -13.116 26.073 -30.523 222 H ASN 29 H ASN 29 -11.303 22.890 -30.735 223 HA ASN 29 HA ASN 29 -9.607 22.349 -29.315 224 HB2 ASN 29 HB2 ASN 29 -8.194 24.903 -30.041 225 HB3 ASN 29 HB3 ASN 29 -7.499 23.351 -29.587 226 HD21 ASN 29 HD21 ASN 29 -7.134 25.117 -31.953 227 HD22 ASN 29 HD22 ASN 29 -7.412 24.095 -33.318 228 H LYS 30 H LYS 30 -11.868 24.064 -28.526 229 HA LYS 30 HA LYS 30 -10.745 24.990 -25.994 230 HB2 LYS 30 HB2 LYS 30 -12.751 26.745 -27.361 231 HB3 LYS 30 HB3 LYS 30 -11.599 27.150 -26.096 232 HG2 LYS 30 HG2 LYS 30 -9.828 26.640 -27.945 233 HG3 LYS 30 HG3 LYS 30 -11.184 26.929 -29.038 234 HD2 LYS 30 HD2 LYS 30 -10.456 29.069 -28.884 235 HD3 LYS 30 HD3 LYS 30 -11.454 29.057 -27.427 236 HE2 LYS 30 HE2 LYS 30 -9.538 28.630 -26.048 237 HE3 LYS 30 HE3 LYS 30 -8.512 28.404 -27.462 238 HZ1 LYS 30 HZ1 LYS 30 -8.047 30.554 -26.798 239 HZ2 LYS 30 HZ2 LYS 30 -9.652 30.902 -26.391 240 HZ3 LYS 30 HZ3 LYS 30 -9.194 30.799 -28.016 241 H LEU 31 H LEU 31 -12.445 25.403 -24.361 242 HA LEU 31 HA LEU 31 -14.881 23.833 -24.886 243 HB2 LEU 31 HB2 LEU 31 -13.197 23.852 -22.387 244 HB3 LEU 31 HB3 LEU 31 -14.769 23.068 -22.533 245 HG LEU 31 HG LEU 31 -13.235 21.327 -22.745 246 HD11 LEU 31 HD11 LEU 31 -14.919 21.841 -24.766 247 HD12 LEU 31 HD12 LEU 31 -13.883 20.416 -24.706 248 HD13 LEU 31 HD13 LEU 31 -13.392 21.822 -25.649 249 HD21 LEU 31 HD21 LEU 31 -11.517 22.066 -24.873 250 HD22 LEU 31 HD22 LEU 31 -11.101 21.722 -23.195 251 HD23 LEU 31 HD23 LEU 31 -11.497 23.370 -23.685 252 H THR 32 H THR 32 -16.765 24.718 -24.250 253 HA THR 32 HA THR 32 -16.759 27.453 -23.367 254 HB THR 32 HB THR 32 -19.074 27.481 -23.771 255 HG1 THR 32 HG1 THR 32 -20.185 25.365 -24.075 256 HG21 THR 32 HG21 THR 32 -18.663 25.371 -25.756 257 HG22 THR 32 HG22 THR 32 -17.359 26.557 -25.703 258 HG23 THR 32 HG23 THR 32 -19.019 27.085 -25.981 259 H ALA 33 H ALA 33 -18.508 28.029 -21.639 260 HA ALA 33 HA ALA 33 -17.595 27.338 -19.145 261 HB1 ALA 33 HB1 ALA 33 -19.177 28.729 -18.372 262 HB2 ALA 33 HB2 ALA 33 -19.475 29.058 -20.080 263 HB3 ALA 33 HB3 ALA 33 -20.475 27.887 -19.219 264 H GLU 34 H GLU 34 -20.325 25.892 -20.903 265 HA GLU 34 HA GLU 34 -21.064 24.073 -18.880 266 HB2 GLU 34 HB2 GLU 34 -22.186 24.819 -21.206 267 HB3 GLU 34 HB3 GLU 34 -21.484 23.287 -21.709 268 HG2 GLU 34 HG2 GLU 34 -22.720 22.097 -20.046 269 HG3 GLU 34 HG3 GLU 34 -23.294 23.602 -19.329 270 H GLU 35 H GLU 35 -19.028 23.670 -21.768 271 HA GLU 35 HA GLU 35 -18.422 20.968 -21.427 272 HB2 GLU 35 HB2 GLU 35 -16.763 23.170 -22.664 273 HB3 GLU 35 HB3 GLU 35 -16.405 21.455 -22.811 274 HG2 GLU 35 HG2 GLU 35 -18.528 21.101 -23.954 275 HG3 GLU 35 HG3 GLU 35 -18.904 22.815 -23.793 276 H LEU 36 H LEU 36 -16.807 23.854 -20.166 277 HA LEU 36 HA LEU 36 -14.616 22.552 -18.983 278 HB2 LEU 36 HB2 LEU 36 -14.440 24.870 -19.243 279 HB3 LEU 36 HB3 LEU 36 -15.996 25.162 -18.467 280 HG LEU 36 HG LEU 36 -14.959 24.441 -16.305 281 HD11 LEU 36 HD11 LEU 36 -12.816 23.736 -18.058 282 HD12 LEU 36 HD12 LEU 36 -12.984 23.440 -16.328 283 HD13 LEU 36 HD13 LEU 36 -12.254 24.941 -16.897 284 HD21 LEU 36 HD21 LEU 36 -13.725 26.798 -17.724 285 HD22 LEU 36 HD22 LEU 36 -13.711 26.537 -15.981 286 HD23 LEU 36 HD23 LEU 36 -15.241 26.789 -16.822 287 H GLY 37 H GLY 37 -17.838 23.333 -17.750 288 HA2 GLY 37 HA2 GLY 37 -17.448 22.627 -15.072 289 HA3 GLY 37 HA3 GLY 37 -18.987 22.566 -15.917 290 H THR 38 H THR 38 -17.949 20.624 -17.889 291 HA THR 38 HA THR 38 -18.629 18.251 -16.454 292 HB THR 38 HB THR 38 -17.601 18.604 -19.276 293 HG1 THR 38 HG1 THR 38 -20.206 18.298 -18.167 294 HG21 THR 38 HG21 THR 38 -18.178 16.214 -17.677 295 HG22 THR 38 HG22 THR 38 -17.237 16.386 -19.159 296 HG23 THR 38 HG23 THR 38 -18.994 16.256 -19.239 297 H VAL 39 H VAL 39 -15.645 19.432 -17.984 298 HA VAL 39 HA VAL 39 -14.085 17.183 -17.184 299 HB VAL 39 HB VAL 39 -13.452 18.540 -19.120 300 HG11 VAL 39 HG11 VAL 39 -12.460 20.766 -18.804 301 HG12 VAL 39 HG12 VAL 39 -14.157 20.723 -18.320 302 HG13 VAL 39 HG13 VAL 39 -12.887 20.703 -17.094 303 HG21 VAL 39 HG21 VAL 39 -11.358 18.711 -16.956 304 HG22 VAL 39 HG22 VAL 39 -11.753 17.246 -17.856 305 HG23 VAL 39 HG23 VAL 39 -11.084 18.644 -18.698 306 H MET 40 H MET 40 -14.818 20.307 -15.787 307 HA MET 40 HA MET 40 -12.774 20.273 -13.809 308 HB2 MET 40 HB2 MET 40 -14.090 22.292 -14.637 309 HB3 MET 40 HB3 MET 40 -15.402 21.737 -13.605 310 HG2 MET 40 HG2 MET 40 -14.417 22.475 -11.745 311 HG3 MET 40 HG3 MET 40 -12.825 21.914 -12.248 312 HE1 MET 40 HE1 MET 40 -13.114 25.566 -11.032 313 HE2 MET 40 HE2 MET 40 -12.689 23.900 -10.640 314 HE3 MET 40 HE3 MET 40 -11.528 24.933 -11.475 315 H ARG 41 H ARG 41 -16.054 19.049 -13.969 316 HA ARG 41 HA ARG 41 -16.570 18.605 -11.276 317 HB2 ARG 41 HB2 ARG 41 -17.459 17.272 -13.803 318 HB3 ARG 41 HB3 ARG 41 -17.887 16.551 -12.257 319 HG2 ARG 41 HG2 ARG 41 -19.286 18.269 -11.684 320 HG3 ARG 41 HG3 ARG 41 -18.429 19.444 -12.683 321 HD2 ARG 41 HD2 ARG 41 -19.960 19.154 -14.265 322 HD3 ARG 41 HD3 ARG 41 -19.415 17.486 -14.438 323 HE ARG 41 HE ARG 41 -21.807 18.406 -13.123 324 HH11 ARG 41 HH11 ARG 41 -19.494 15.822 -13.418 325 HH12 ARG 41 HH12 ARG 41 -20.582 14.606 -12.838 326 HH21 ARG 41 HH21 ARG 41 -23.251 16.815 -12.358 327 HH22 ARG 41 HH22 ARG 41 -22.720 15.171 -12.236 328 H ALA 42 H ALA 42 -14.605 16.776 -13.532 329 HA ALA 42 HA ALA 42 -14.301 14.398 -12.117 330 HB1 ALA 42 HB1 ALA 42 -13.463 14.388 -14.290 331 HB2 ALA 42 HB2 ALA 42 -12.524 15.860 -14.038 332 HB3 ALA 42 HB3 ALA 42 -12.012 14.348 -13.288 333 H LEU 43 H LEU 43 -13.031 17.546 -11.477 334 HA LEU 43 HA LEU 43 -11.112 16.492 -9.534 335 HB2 LEU 43 HB2 LEU 43 -11.454 19.052 -10.981 336 HB3 LEU 43 HB3 LEU 43 -10.772 19.139 -9.358 337 HG LEU 43 HG LEU 43 -8.945 17.673 -10.029 338 HD11 LEU 43 HD11 LEU 43 -10.457 17.577 -12.617 339 HD12 LEU 43 HD12 LEU 43 -9.840 16.244 -11.642 340 HD13 LEU 43 HD13 LEU 43 -8.722 17.264 -12.547 341 HD21 LEU 43 HD21 LEU 43 -9.461 20.109 -11.710 342 HD22 LEU 43 HD22 LEU 43 -7.948 19.208 -11.803 343 HD23 LEU 43 HD23 LEU 43 -8.439 19.952 -10.281 344 H GLY 44 H GLY 44 -14.175 18.094 -9.765 345 HA2 GLY 44 HA2 GLY 44 -14.741 17.655 -7.011 346 HA3 GLY 44 HA3 GLY 44 -14.394 19.351 -7.308 347 H ALA 45 H ALA 45 -16.582 16.703 -7.985 348 HA ALA 45 HA ALA 45 -18.465 18.544 -9.272 349 HB1 ALA 45 HB1 ALA 45 -18.936 15.605 -8.980 350 HB2 ALA 45 HB2 ALA 45 -19.510 16.712 -10.228 351 HB3 ALA 45 HB3 ALA 45 -17.819 16.214 -10.201 352 H ASN 46 H ASN 46 -18.012 18.847 -6.492 353 HA ASN 46 HA ASN 46 -19.996 17.523 -4.953 354 HB2 ASN 46 HB2 ASN 46 -18.025 19.660 -4.539 355 HB3 ASN 46 HB3 ASN 46 -19.491 19.847 -3.582 356 HD21 ASN 46 HD21 ASN 46 -19.253 19.059 -1.632 357 HD22 ASN 46 HD22 ASN 46 -18.382 17.631 -1.204 358 HA PRO 47 HA PRO 47 -22.516 21.618 -5.387 359 HB2 PRO 47 HB2 PRO 47 -21.610 23.465 -7.159 360 HB3 PRO 47 HB3 PRO 47 -21.108 23.432 -5.464 361 HG2 PRO 47 HG2 PRO 47 -19.684 22.389 -7.882 362 HG3 PRO 47 HG3 PRO 47 -19.033 23.297 -6.505 363 HD2 PRO 47 HD2 PRO 47 -18.777 20.611 -6.732 364 HD3 PRO 47 HD3 PRO 47 -18.926 21.427 -5.162 365 H THR 48 H THR 48 -23.584 22.893 -7.433 366 HA THR 48 HA THR 48 -24.321 20.744 -9.268 367 HB THR 48 HB THR 48 -25.775 23.230 -9.645 368 HG1 THR 48 HG1 THR 48 -26.846 22.800 -7.457 369 HG21 THR 48 HG21 THR 48 -27.526 21.817 -9.900 370 HG22 THR 48 HG22 THR 48 -27.091 20.853 -8.490 371 HG23 THR 48 HG23 THR 48 -26.256 20.600 -10.022 372 H LYS 49 H LYS 49 -24.500 21.112 -11.547 373 HA LYS 49 HA LYS 49 -22.247 22.286 -12.709 374 HB2 LYS 49 HB2 LYS 49 -24.277 20.634 -13.568 375 HB3 LYS 49 HB3 LYS 49 -24.564 22.103 -14.491 376 HG2 LYS 49 HG2 LYS 49 -22.625 21.910 -15.674 377 HG3 LYS 49 HG3 LYS 49 -21.793 21.040 -14.382 378 HD2 LYS 49 HD2 LYS 49 -22.244 19.119 -15.404 379 HD3 LYS 49 HD3 LYS 49 -23.971 19.437 -15.224 380 HE2 LYS 49 HE2 LYS 49 -22.438 20.726 -17.443 381 HE3 LYS 49 HE3 LYS 49 -22.949 19.047 -17.592 382 HZ1 LYS 49 HZ1 LYS 49 -24.465 21.348 -18.025 383 HZ2 LYS 49 HZ2 LYS 49 -25.117 20.569 -16.672 384 HZ3 LYS 49 HZ3 LYS 49 -24.965 19.736 -18.136 385 H GLN 50 H GLN 50 -25.471 23.555 -12.139 386 HA GLN 50 HA GLN 50 -25.225 25.874 -13.740 387 HB2 GLN 50 HB2 GLN 50 -27.023 25.048 -11.491 388 HB3 GLN 50 HB3 GLN 50 -27.052 26.711 -12.062 389 HG2 GLN 50 HG2 GLN 50 -28.556 26.021 -13.540 390 HG3 GLN 50 HG3 GLN 50 -27.208 25.267 -14.389 391 HE21 GLN 50 HE21 GLN 50 -29.971 24.763 -12.373 392 HE22 GLN 50 HE22 GLN 50 -30.003 23.040 -12.484 393 H LYS 51 H LYS 51 -24.340 25.128 -10.430 394 HA LYS 51 HA LYS 51 -23.802 27.813 -9.644 395 HB2 LYS 51 HB2 LYS 51 -22.566 25.350 -8.425 396 HB3 LYS 51 HB3 LYS 51 -22.904 26.892 -7.649 397 HG2 LYS 51 HG2 LYS 51 -24.935 24.874 -8.581 398 HG3 LYS 51 HG3 LYS 51 -24.483 25.225 -6.911 399 HD2 LYS 51 HD2 LYS 51 -26.056 26.794 -6.850 400 HD3 LYS 51 HD3 LYS 51 -25.186 27.684 -8.102 401 HE2 LYS 51 HE2 LYS 51 -26.393 25.941 -9.677 402 HE3 LYS 51 HE3 LYS 51 -27.531 25.865 -8.333 403 HZ1 LYS 51 HZ1 LYS 51 -26.815 28.204 -9.994 404 HZ2 LYS 51 HZ2 LYS 51 -27.572 28.380 -8.492 405 HZ3 LYS 51 HZ3 LYS 51 -28.343 27.528 -9.734 406 H ILE 52 H ILE 52 -21.706 25.104 -10.618 407 HA ILE 52 HA ILE 52 -19.287 26.544 -10.487 408 HB ILE 52 HB ILE 52 -19.323 24.105 -10.527 409 HG12 ILE 52 HG12 ILE 52 -17.898 25.267 -12.931 410 HG13 ILE 52 HG13 ILE 52 -17.295 25.288 -11.277 411 HG21 ILE 52 HG21 ILE 52 -19.869 22.844 -12.496 412 HG22 ILE 52 HG22 ILE 52 -21.228 23.897 -12.106 413 HG23 ILE 52 HG23 ILE 52 -20.134 24.322 -13.421 414 HD11 ILE 52 HD11 ILE 52 -17.945 22.608 -11.996 415 HD12 ILE 52 HD12 ILE 52 -16.918 23.318 -13.243 416 HD13 ILE 52 HD13 ILE 52 -16.381 23.300 -11.563 417 H SER 53 H SER 53 -21.666 26.123 -13.037 418 HA SER 53 HA SER 53 -20.116 27.193 -15.147 419 HB2 SER 53 HB2 SER 53 -22.166 27.287 -16.396 420 HB3 SER 53 HB3 SER 53 -22.221 25.829 -15.405 421 HG SER 53 HG SER 53 -23.331 27.415 -13.851 422 H GLU 54 H GLU 54 -22.093 28.632 -12.654 423 HA GLU 54 HA GLU 54 -22.229 31.228 -13.841 424 HB2 GLU 54 HB2 GLU 54 -23.563 30.001 -11.808 425 HB3 GLU 54 HB3 GLU 54 -22.470 31.044 -10.911 426 HG2 GLU 54 HG2 GLU 54 -23.495 32.941 -11.587 427 HG3 GLU 54 HG3 GLU 54 -23.929 32.279 -13.161 428 H ILE 55 H ILE 55 -20.034 29.596 -11.659 429 HA ILE 55 HA ILE 55 -18.614 31.954 -10.876 430 HB ILE 55 HB ILE 55 -17.779 29.056 -10.711 431 HG12 ILE 55 HG12 ILE 55 -19.835 29.600 -9.443 432 HG13 ILE 55 HG13 ILE 55 -18.491 29.182 -8.385 433 HG21 ILE 55 HG21 ILE 55 -16.339 30.123 -8.805 434 HG22 ILE 55 HG22 ILE 55 -15.779 30.163 -10.476 435 HG23 ILE 55 HG23 ILE 55 -16.528 31.592 -9.763 436 HD11 ILE 55 HD11 ILE 55 -19.388 31.984 -9.016 437 HD12 ILE 55 HD12 ILE 55 -19.803 31.081 -7.558 438 HD13 ILE 55 HD13 ILE 55 -18.124 31.513 -7.881 439 H VAL 56 H VAL 56 -17.973 29.311 -13.164 440 HA VAL 56 HA VAL 56 -15.466 30.156 -14.051 441 HB VAL 56 HB VAL 56 -15.975 28.884 -16.140 442 HG11 VAL 56 HG11 VAL 56 -16.211 27.796 -13.396 443 HG12 VAL 56 HG12 VAL 56 -16.615 26.712 -14.730 444 HG13 VAL 56 HG13 VAL 56 -15.019 27.461 -14.652 445 HG21 VAL 56 HG21 VAL 56 -18.110 27.588 -16.161 446 HG22 VAL 56 HG22 VAL 56 -18.674 28.599 -14.830 447 HG23 VAL 56 HG23 VAL 56 -18.315 29.323 -16.397 448 H LYS 57 H LYS 57 -18.705 31.063 -15.123 449 HA LYS 57 HA LYS 57 -17.800 32.652 -17.319 450 HB2 LYS 57 HB2 LYS 57 -20.098 33.362 -17.525 451 HB3 LYS 57 HB3 LYS 57 -20.064 31.633 -17.200 452 HG2 LYS 57 HG2 LYS 57 -20.702 31.979 -14.925 453 HG3 LYS 57 HG3 LYS 57 -20.531 33.728 -15.091 454 HD2 LYS 57 HD2 LYS 57 -22.505 32.037 -16.623 455 HD3 LYS 57 HD3 LYS 57 -22.887 32.961 -15.169 456 HE2 LYS 57 HE2 LYS 57 -21.571 34.703 -16.970 457 HE3 LYS 57 HE3 LYS 57 -22.806 33.837 -17.881 458 HZ1 LYS 57 HZ1 LYS 57 -24.403 34.999 -16.895 459 HZ2 LYS 57 HZ2 LYS 57 -23.201 36.013 -16.269 460 HZ3 LYS 57 HZ3 LYS 57 -23.778 34.717 -15.348 461 H ASP 58 H ASP 58 -18.447 33.223 -13.937 462 HA ASP 58 HA ASP 58 -18.407 36.089 -14.158 463 HB2 ASP 58 HB2 ASP 58 -18.698 34.103 -11.985 464 HB3 ASP 58 HB3 ASP 58 -17.984 35.645 -11.522 465 H TYR 59 H TYR 59 -16.078 33.570 -13.688 466 HA TYR 59 HA TYR 59 -14.016 35.414 -12.791 467 HB2 TYR 59 HB2 TYR 59 -14.228 33.074 -11.885 468 HB3 TYR 59 HB3 TYR 59 -13.728 32.482 -13.466 469 HD1 TYR 59 HD1 TYR 59 -11.443 33.184 -14.338 470 HD2 TYR 59 HD2 TYR 59 -12.635 33.731 -10.291 471 HE1 TYR 59 HE1 TYR 59 -9.084 33.404 -13.679 472 HE2 TYR 59 HE2 TYR 59 -10.279 33.953 -9.620 473 HH TYR 59 HH TYR 59 -7.712 33.094 -11.617 474 H ASP 60 H ASP 60 -15.020 33.730 -15.677 475 HA ASP 60 HA ASP 60 -12.616 34.565 -17.114 476 HB2 ASP 60 HB2 ASP 60 -14.970 32.943 -18.107 477 HB3 ASP 60 HB3 ASP 60 -13.435 33.181 -18.939 478 H LYS 61 H LYS 61 -13.470 36.843 -16.636 479 HA LYS 61 HA LYS 61 -15.364 37.667 -18.737 480 HB2 LYS 61 HB2 LYS 61 -15.655 39.739 -17.374 481 HB3 LYS 61 HB3 LYS 61 -16.180 38.271 -16.558 482 HG2 LYS 61 HG2 LYS 61 -13.985 38.236 -15.373 483 HG3 LYS 61 HG3 LYS 61 -13.644 39.817 -16.081 484 HD2 LYS 61 HD2 LYS 61 -15.150 40.888 -14.753 485 HD3 LYS 61 HD3 LYS 61 -16.236 39.498 -14.680 486 HE2 LYS 61 HE2 LYS 61 -14.139 38.500 -13.339 487 HE3 LYS 61 HE3 LYS 61 -13.931 40.211 -12.968 488 HZ1 LYS 61 HZ1 LYS 61 -15.742 40.233 -11.669 489 HZ2 LYS 61 HZ2 LYS 61 -15.520 38.557 -11.594 490 HZ3 LYS 61 HZ3 LYS 61 -16.634 39.214 -12.684 491 H ASP 62 H ASP 62 -12.119 37.701 -17.828 492 HA ASP 62 HA ASP 62 -11.402 40.210 -19.041 493 HB2 ASP 62 HB2 ASP 62 -9.126 39.596 -18.570 494 HB3 ASP 62 HB3 ASP 62 -10.107 39.145 -17.179 495 H ASN 63 H ASN 63 -12.143 37.121 -20.194 496 HA ASN 63 HA ASN 63 -11.000 37.805 -22.813 497 HB2 ASN 63 HB2 ASN 63 -10.364 35.509 -21.159 498 HB3 ASN 63 HB3 ASN 63 -11.022 35.010 -22.713 499 HD21 ASN 63 HD21 ASN 63 -8.309 36.122 -21.053 500 HD22 ASN 63 HD22 ASN 63 -7.275 36.382 -22.411 501 H SER 64 H SER 64 -12.929 35.095 -21.547 502 HA SER 64 HA SER 64 -15.404 35.935 -22.556 503 HB2 SER 64 HB2 SER 64 -13.709 35.157 -24.619 504 HB3 SER 64 HB3 SER 64 -14.714 33.735 -24.338 505 HG SER 64 HG SER 64 -15.726 36.360 -24.699 506 H GLY 65 H GLY 65 -16.651 33.602 -23.214 507 HA2 GLY 65 HA2 GLY 65 -16.465 32.142 -20.684 508 HA3 GLY 65 HA3 GLY 65 -17.810 32.090 -21.815 509 H LYS 66 H LYS 66 -14.455 31.696 -22.758 510 HA LYS 66 HA LYS 66 -15.016 28.859 -23.330 511 HB2 LYS 66 HB2 LYS 66 -13.790 30.997 -24.993 512 HB3 LYS 66 HB3 LYS 66 -13.100 29.385 -25.125 513 HG2 LYS 66 HG2 LYS 66 -14.685 28.933 -26.604 514 HG3 LYS 66 HG3 LYS 66 -15.845 28.982 -25.274 515 HD2 LYS 66 HD2 LYS 66 -16.834 30.659 -26.362 516 HD3 LYS 66 HD3 LYS 66 -15.445 31.648 -25.908 517 HE2 LYS 66 HE2 LYS 66 -14.314 30.897 -27.996 518 HE3 LYS 66 HE3 LYS 66 -15.805 30.077 -28.457 519 HZ1 LYS 66 HZ1 LYS 66 -15.163 32.905 -28.482 520 HZ2 LYS 66 HZ2 LYS 66 -16.715 32.523 -27.929 521 HZ3 LYS 66 HZ3 LYS 66 -16.220 32.025 -29.467 522 H PHE 67 H PHE 67 -12.985 27.533 -23.551 523 HA PHE 67 HA PHE 67 -10.865 28.478 -21.747 524 HB2 PHE 67 HB2 PHE 67 -12.738 26.401 -21.204 525 HB3 PHE 67 HB3 PHE 67 -11.160 25.657 -21.436 526 HD1 PHE 67 HD1 PHE 67 -12.391 28.791 -19.818 527 HD2 PHE 67 HD2 PHE 67 -10.095 25.225 -19.461 528 HE1 PHE 67 HE1 PHE 67 -11.758 29.432 -17.529 529 HE2 PHE 67 HE2 PHE 67 -9.459 25.860 -17.170 530 HZ PHE 67 HZ PHE 67 -10.291 27.964 -16.201 531 H ASP 68 H ASP 68 -8.824 28.004 -22.363 532 HA ASP 68 HA ASP 68 -8.515 26.404 -24.816 533 HB2 ASP 68 HB2 ASP 68 -7.930 28.875 -24.895 534 HB3 ASP 68 HB3 ASP 68 -6.593 28.501 -23.812 535 H GLN 69 H GLN 69 -7.079 24.749 -24.874 536 HA GLN 69 HA GLN 69 -6.379 23.360 -22.619 537 HB2 GLN 69 HB2 GLN 69 -5.085 23.419 -25.339 538 HB3 GLN 69 HB3 GLN 69 -4.581 22.297 -24.083 539 HG2 GLN 69 HG2 GLN 69 -6.065 21.052 -25.342 540 HG3 GLN 69 HG3 GLN 69 -7.053 21.611 -23.994 541 HE21 GLN 69 HE21 GLN 69 -8.863 22.690 -24.423 542 HE22 GLN 69 HE22 GLN 69 -9.335 23.271 -25.980 543 H GLU 70 H GLU 70 -4.407 25.729 -24.371 544 HA GLU 70 HA GLU 70 -2.039 25.494 -22.962 545 HB2 GLU 70 HB2 GLU 70 -3.095 27.248 -24.868 546 HB3 GLU 70 HB3 GLU 70 -2.637 28.273 -23.516 547 HG2 GLU 70 HG2 GLU 70 -0.411 26.919 -23.616 548 HG3 GLU 70 HG3 GLU 70 -0.931 26.568 -25.263 549 H THR 71 H THR 71 -4.956 27.295 -22.136 550 HA THR 71 HA THR 71 -3.932 28.674 -19.907 551 HB THR 71 HB THR 71 -6.778 27.768 -20.385 552 HG1 THR 71 HG1 THR 71 -5.322 30.078 -21.175 553 HG21 THR 71 HG21 THR 71 -7.094 28.559 -18.310 554 HG22 THR 71 HG22 THR 71 -6.845 30.154 -19.018 555 HG23 THR 71 HG23 THR 71 -5.497 29.306 -18.258 556 H PHE 72 H PHE 72 -5.633 25.566 -20.156 557 HA PHE 72 HA PHE 72 -5.641 25.025 -17.379 558 HB2 PHE 72 HB2 PHE 72 -6.557 23.752 -19.757 559 HB3 PHE 72 HB3 PHE 72 -5.606 22.581 -18.849 560 HD1 PHE 72 HD1 PHE 72 -6.141 22.885 -16.148 561 HD2 PHE 72 HD2 PHE 72 -8.804 23.567 -19.398 562 HE1 PHE 72 HE1 PHE 72 -8.057 22.483 -14.658 563 HE2 PHE 72 HE2 PHE 72 -10.724 23.166 -17.913 564 HZ PHE 72 HZ PHE 72 -10.353 22.624 -15.540 565 H LEU 73 H LEU 73 -3.419 24.175 -19.990 566 HA LEU 73 HA LEU 73 -1.758 22.467 -18.475 567 HB2 LEU 73 HB2 LEU 73 -1.575 23.888 -21.065 568 HB3 LEU 73 HB3 LEU 73 -0.058 23.370 -20.332 569 HG LEU 73 HG LEU 73 -1.627 21.107 -20.194 570 HD11 LEU 73 HD11 LEU 73 -2.339 20.895 -22.633 571 HD12 LEU 73 HD12 LEU 73 -2.264 22.656 -22.684 572 HD13 LEU 73 HD13 LEU 73 -3.369 21.854 -21.569 573 HD21 LEU 73 HD21 LEU 73 0.571 20.792 -20.772 574 HD22 LEU 73 HD22 LEU 73 0.555 22.081 -21.976 575 HD23 LEU 73 HD23 LEU 73 -0.219 20.535 -22.329 576 H THR 74 H THR 74 -1.806 25.940 -18.964 577 HA THR 74 HA THR 74 0.738 26.447 -17.782 578 HB THR 74 HB THR 74 -1.605 28.322 -18.157 579 HG1 THR 74 HG1 THR 74 0.732 27.946 -19.748 580 HG21 THR 74 HG21 THR 74 -0.387 29.684 -16.855 581 HG22 THR 74 HG22 THR 74 0.696 29.817 -18.240 582 HG23 THR 74 HG23 THR 74 1.041 28.655 -16.960 583 H ILE 75 H ILE 75 -2.582 26.403 -16.584 584 HA ILE 75 HA ILE 75 -2.010 27.435 -14.011 585 HB ILE 75 HB ILE 75 -4.293 25.669 -14.902 586 HG12 ILE 75 HG12 ILE 75 -4.533 28.599 -14.356 587 HG13 ILE 75 HG13 ILE 75 -3.830 28.082 -15.885 588 HG21 ILE 75 HG21 ILE 75 -4.827 25.519 -12.752 589 HG22 ILE 75 HG22 ILE 75 -3.513 26.602 -12.296 590 HG23 ILE 75 HG23 ILE 75 -5.083 27.264 -12.749 591 HD11 ILE 75 HD11 ILE 75 -6.564 28.261 -15.141 592 HD12 ILE 75 HD12 ILE 75 -5.864 27.823 -16.700 593 HD13 ILE 75 HD13 ILE 75 -6.182 26.576 -15.494 594 H MET 76 H MET 76 -2.420 24.111 -15.211 595 HA MET 76 HA MET 76 -1.917 22.869 -12.714 596 HB2 MET 76 HB2 MET 76 -1.599 20.808 -14.072 597 HB3 MET 76 HB3 MET 76 -3.095 21.660 -14.433 598 HG2 MET 76 HG2 MET 76 -2.467 21.352 -16.558 599 HG3 MET 76 HG3 MET 76 -1.458 22.766 -16.262 600 HE1 MET 76 HE1 MET 76 -0.261 20.990 -18.712 601 HE2 MET 76 HE2 MET 76 0.028 19.320 -18.226 602 HE3 MET 76 HE3 MET 76 -1.591 20.007 -18.098 603 H LEU 77 H LEU 77 0.135 24.084 -15.240 604 HA LEU 77 HA LEU 77 2.485 22.659 -14.423 605 HB2 LEU 77 HB2 LEU 77 1.854 24.824 -16.360 606 HB3 LEU 77 HB3 LEU 77 3.529 24.630 -15.847 607 HG LEU 77 HG LEU 77 1.839 22.514 -17.181 608 HD11 LEU 77 HD11 LEU 77 2.311 23.860 -18.948 609 HD12 LEU 77 HD12 LEU 77 3.816 22.942 -18.899 610 HD13 LEU 77 HD13 LEU 77 3.742 24.553 -18.186 611 HD21 LEU 77 HD21 LEU 77 3.306 21.178 -16.106 612 HD22 LEU 77 HD22 LEU 77 4.467 22.481 -15.842 613 HD23 LEU 77 HD23 LEU 77 4.386 21.675 -17.410 614 H GLU 78 H GLU 78 1.143 25.872 -13.848 615 HA GLU 78 HA GLU 78 3.416 26.830 -12.403 616 HB2 GLU 78 HB2 GLU 78 1.993 28.443 -13.457 617 HB3 GLU 78 HB3 GLU 78 0.574 27.820 -12.625 618 HG2 GLU 78 HG2 GLU 78 0.941 29.081 -10.833 619 HG3 GLU 78 HG3 GLU 78 2.654 28.668 -10.787 620 H TYR 79 H TYR 79 0.542 25.054 -11.594 621 HA TYR 79 HA TYR 79 0.728 25.529 -8.763 622 HB2 TYR 79 HB2 TYR 79 -1.226 24.522 -10.505 623 HB3 TYR 79 HB3 TYR 79 -0.798 23.172 -9.461 624 HD1 TYR 79 HD1 TYR 79 -1.237 23.260 -7.067 625 HD2 TYR 79 HD2 TYR 79 -2.303 26.501 -9.610 626 HE1 TYR 79 HE1 TYR 79 -2.662 24.181 -5.286 627 HE2 TYR 79 HE2 TYR 79 -3.730 27.432 -7.835 628 HH TYR 79 HH TYR 79 -4.952 25.980 -5.508 629 H GLY 80 H GLY 80 1.814 23.082 -11.026 630 HA2 GLY 80 HA2 GLY 80 3.722 21.731 -10.604 631 HA3 GLY 80 HA3 GLY 80 3.432 21.907 -8.879 632 H GLN 81 H GLN 81 0.571 21.292 -9.146 633 HA GLN 81 HA GLN 81 0.680 18.465 -9.927 634 HB2 GLN 81 HB2 GLN 81 1.032 18.503 -7.528 635 HB3 GLN 81 HB3 GLN 81 -0.368 19.544 -7.307 636 HG2 GLN 81 HG2 GLN 81 -1.734 17.806 -7.213 637 HG3 GLN 81 HG3 GLN 81 -1.101 17.152 -8.721 638 HE21 GLN 81 HE21 GLN 81 -1.910 15.802 -6.249 639 HE22 GLN 81 HE22 GLN 81 -0.534 14.893 -5.737 640 H GLU 82 H GLU 82 -1.773 20.475 -8.321 641 HA GLU 82 HA GLU 82 -3.350 20.991 -10.573 642 HB2 GLU 82 HB2 GLU 82 -3.467 18.316 -9.960 643 HB3 GLU 82 HB3 GLU 82 -4.862 18.953 -9.101 644 HG2 GLU 82 HG2 GLU 82 -5.927 19.608 -11.030 645 HG3 GLU 82 HG3 GLU 82 -4.426 19.712 -11.949 646 H VAL 83 H VAL 83 -5.887 21.001 -9.617 647 HA VAL 83 HA VAL 83 -5.692 22.960 -7.471 648 HB VAL 83 HB VAL 83 -8.121 22.139 -9.068 649 HG11 VAL 83 HG11 VAL 83 -8.997 23.186 -7.218 650 HG12 VAL 83 HG12 VAL 83 -7.590 24.233 -7.010 651 HG13 VAL 83 HG13 VAL 83 -8.753 24.560 -8.297 652 HG21 VAL 83 HG21 VAL 83 -7.177 23.216 -10.774 653 HG22 VAL 83 HG22 VAL 83 -7.346 24.696 -9.829 654 HG23 VAL 83 HG23 VAL 83 -5.842 23.777 -9.767 655 H ASP 84 H ASP 84 -6.989 19.766 -8.083 656 HA ASP 84 HA ASP 84 -7.796 19.613 -5.253 657 HB2 ASP 84 HB2 ASP 84 -9.415 19.246 -7.533 658 HB3 ASP 84 HB3 ASP 84 -9.138 17.639 -6.866 659 H SER 85 H SER 85 -8.228 16.970 -4.963 660 HA SER 85 HA SER 85 -5.631 15.920 -4.704 661 HB2 SER 85 HB2 SER 85 -7.197 15.074 -3.175 662 HB3 SER 85 HB3 SER 85 -8.384 14.737 -4.435 663 HG SER 85 HG SER 85 -6.723 13.039 -3.402 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -5.369 0.936 -8.121 2 HA MET 1 HA MET 1 -5.643 -0.416 -5.897 3 HB2 MET 1 HB2 MET 1 -4.083 -2.207 -7.758 4 HB3 MET 1 HB3 MET 1 -4.046 -2.386 -6.010 5 HG2 MET 1 HG2 MET 1 -5.751 -3.784 -6.300 6 HG3 MET 1 HG3 MET 1 -6.723 -2.328 -6.509 7 HE1 MET 1 HE1 MET 1 -5.551 -5.415 -9.638 8 HE2 MET 1 HE2 MET 1 -4.228 -4.540 -8.868 9 HE3 MET 1 HE3 MET 1 -5.349 -5.484 -7.886 10 H SER 2 H SER 2 -4.001 -0.103 -4.371 11 HA SER 2 HA SER 2 -2.183 0.909 -3.453 12 HB2 SER 2 HB2 SER 2 -1.205 -0.600 -5.627 13 HB3 SER 2 HB3 SER 2 -0.383 0.959 -5.703 14 HG SER 2 HG SER 2 0.534 0.593 -3.791 15 H GLU 3 H GLU 3 -0.411 2.718 -4.068 16 HA GLU 3 HA GLU 3 -2.003 4.986 -4.927 17 HB2 GLU 3 HB2 GLU 3 0.079 4.596 -3.072 18 HB3 GLU 3 HB3 GLU 3 0.735 5.648 -4.320 19 HG2 GLU 3 HG2 GLU 3 -0.178 7.037 -2.639 20 HG3 GLU 3 HG3 GLU 3 -1.268 7.112 -4.022 21 H GLN 4 H GLN 4 -1.417 6.431 -6.576 22 HA GLN 4 HA GLN 4 0.763 5.705 -8.358 23 HB2 GLN 4 HB2 GLN 4 -0.716 5.700 -10.348 24 HB3 GLN 4 HB3 GLN 4 -1.041 4.366 -9.249 25 HG2 GLN 4 HG2 GLN 4 -2.660 6.711 -8.680 26 HG3 GLN 4 HG3 GLN 4 -2.898 6.087 -10.313 27 HE21 GLN 4 HE21 GLN 4 -3.485 5.626 -6.984 28 HE22 GLN 4 HE22 GLN 4 -4.384 4.156 -7.108 29 H LYS 5 H LYS 5 1.496 7.395 -9.626 30 HA LYS 5 HA LYS 5 0.361 10.021 -8.950 31 HB2 LYS 5 HB2 LYS 5 2.795 9.437 -8.405 32 HB3 LYS 5 HB3 LYS 5 3.085 9.525 -10.137 33 HG2 LYS 5 HG2 LYS 5 2.353 11.845 -10.159 34 HG3 LYS 5 HG3 LYS 5 2.014 11.762 -8.428 35 HD2 LYS 5 HD2 LYS 5 4.739 11.094 -9.472 36 HD3 LYS 5 HD3 LYS 5 4.261 12.777 -9.241 37 HE2 LYS 5 HE2 LYS 5 3.940 10.740 -7.062 38 HE3 LYS 5 HE3 LYS 5 5.467 11.583 -7.313 39 HZ1 LYS 5 HZ1 LYS 5 4.409 12.912 -5.784 40 HZ2 LYS 5 HZ2 LYS 5 2.872 12.669 -6.448 41 HZ3 LYS 5 HZ3 LYS 5 3.983 13.677 -7.231 42 H LYS 6 H LYS 6 -0.995 10.724 -10.465 43 HA LYS 6 HA LYS 6 -0.177 10.465 -13.284 44 HB2 LYS 6 HB2 LYS 6 -2.692 10.503 -13.764 45 HB3 LYS 6 HB3 LYS 6 -2.020 9.016 -13.109 46 HG2 LYS 6 HG2 LYS 6 -2.886 10.768 -10.992 47 HG3 LYS 6 HG3 LYS 6 -4.193 10.457 -12.139 48 HD2 LYS 6 HD2 LYS 6 -2.494 8.269 -10.957 49 HD3 LYS 6 HD3 LYS 6 -3.993 8.831 -10.210 50 HE2 LYS 6 HE2 LYS 6 -4.279 8.256 -13.052 51 HE3 LYS 6 HE3 LYS 6 -3.766 6.853 -12.117 52 HZ1 LYS 6 HZ1 LYS 6 -6.167 6.987 -12.229 53 HZ2 LYS 6 HZ2 LYS 6 -6.146 8.539 -11.554 54 HZ3 LYS 6 HZ3 LYS 6 -5.648 7.210 -10.634 55 H VAL 7 H VAL 7 0.614 12.632 -11.806 56 HA VAL 7 HA VAL 7 -0.901 14.774 -13.102 57 HB VAL 7 HB VAL 7 -0.689 16.182 -11.039 58 HG11 VAL 7 HG11 VAL 7 -2.650 15.237 -9.941 59 HG12 VAL 7 HG12 VAL 7 -2.811 15.152 -11.695 60 HG13 VAL 7 HG13 VAL 7 -2.392 13.706 -10.776 61 HG21 VAL 7 HG21 VAL 7 -0.388 15.054 -8.891 62 HG22 VAL 7 HG22 VAL 7 -0.087 13.532 -9.729 63 HG23 VAL 7 HG23 VAL 7 1.040 14.876 -9.910 64 H LEU 8 H LEU 8 0.312 16.587 -13.635 65 HA LEU 8 HA LEU 8 2.167 17.738 -14.270 66 HB2 LEU 8 HB2 LEU 8 2.451 17.169 -11.537 67 HB3 LEU 8 HB3 LEU 8 4.023 16.847 -12.266 68 HG LEU 8 HG LEU 8 3.864 19.123 -11.372 69 HD11 LEU 8 HD11 LEU 8 5.299 18.621 -13.316 70 HD12 LEU 8 HD12 LEU 8 4.710 20.282 -13.308 71 HD13 LEU 8 HD13 LEU 8 3.977 19.093 -14.383 72 HD21 LEU 8 HD21 LEU 8 2.036 20.354 -11.619 73 HD22 LEU 8 HD22 LEU 8 1.299 19.052 -12.553 74 HD23 LEU 8 HD23 LEU 8 2.217 20.315 -13.374 75 H THR 9 H THR 9 1.783 14.900 -15.077 76 HA THR 9 HA THR 9 4.541 14.414 -15.972 77 HB THR 9 HB THR 9 3.080 11.932 -15.749 78 HG1 THR 9 HG1 THR 9 2.338 12.076 -13.780 79 HG21 THR 9 HG21 THR 9 5.713 13.067 -14.990 80 HG22 THR 9 HG22 THR 9 5.330 11.594 -15.880 81 HG23 THR 9 HG23 THR 9 5.179 11.627 -14.122 82 H ALA 10 H ALA 10 4.541 12.769 -17.828 83 HA ALA 10 HA ALA 10 3.208 13.798 -20.012 84 HB1 ALA 10 HB1 ALA 10 4.917 11.565 -19.481 85 HB2 ALA 10 HB2 ALA 10 3.630 11.078 -20.584 86 HB3 ALA 10 HB3 ALA 10 4.667 12.444 -20.989 87 H GLU 11 H GLU 11 2.252 11.109 -17.916 88 HA GLU 11 HA GLU 11 0.079 10.148 -19.338 89 HB2 GLU 11 HB2 GLU 11 0.810 10.216 -16.448 90 HB3 GLU 11 HB3 GLU 11 -0.828 9.740 -16.875 91 HG2 GLU 11 HG2 GLU 11 1.085 8.366 -18.524 92 HG3 GLU 11 HG3 GLU 11 1.450 8.134 -16.815 93 H GLU 12 H GLU 12 0.227 12.843 -17.044 94 HA GLU 12 HA GLU 12 -2.546 13.416 -17.082 95 HB2 GLU 12 HB2 GLU 12 -1.244 14.240 -15.258 96 HB3 GLU 12 HB3 GLU 12 -0.140 15.076 -16.340 97 HG2 GLU 12 HG2 GLU 12 -1.457 16.871 -16.502 98 HG3 GLU 12 HG3 GLU 12 -2.928 15.907 -16.609 99 H GLN 13 H GLN 13 0.201 14.661 -18.929 100 HA GLN 13 HA GLN 13 -1.083 16.727 -20.283 101 HB2 GLN 13 HB2 GLN 13 1.370 16.297 -20.295 102 HB3 GLN 13 HB3 GLN 13 1.095 14.936 -21.373 103 HG2 GLN 13 HG2 GLN 13 0.008 17.559 -22.204 104 HG3 GLN 13 HG3 GLN 13 1.759 17.354 -22.245 105 HE21 GLN 13 HE21 GLN 13 0.964 17.802 -24.588 106 HE22 GLN 13 HE22 GLN 13 0.737 16.389 -25.557 107 H GLN 14 H GLN 14 -0.611 13.354 -21.332 108 HA GLN 14 HA GLN 14 -2.110 13.604 -23.710 109 HB2 GLN 14 HB2 GLN 14 -2.138 11.127 -23.698 110 HB3 GLN 14 HB3 GLN 14 -0.531 11.793 -23.436 111 HG2 GLN 14 HG2 GLN 14 -0.848 11.436 -20.998 112 HG3 GLN 14 HG3 GLN 14 -2.370 10.623 -21.364 113 HE21 GLN 14 HE21 GLN 14 -1.795 8.629 -20.631 114 HE22 GLN 14 HE22 GLN 14 -0.577 7.653 -21.369 115 H GLU 15 H GLU 15 -2.971 12.513 -20.455 116 HA GLU 15 HA GLU 15 -5.547 11.608 -20.940 117 HB2 GLU 15 HB2 GLU 15 -4.227 12.842 -18.547 118 HB3 GLU 15 HB3 GLU 15 -5.946 12.470 -18.510 119 HG2 GLU 15 HG2 GLU 15 -4.505 10.215 -19.513 120 HG3 GLU 15 HG3 GLU 15 -3.787 10.752 -17.996 121 H TYR 16 H TYR 16 -4.410 14.897 -20.300 122 HA TYR 16 HA TYR 16 -7.024 16.051 -20.320 123 HB2 TYR 16 HB2 TYR 16 -5.230 17.152 -19.118 124 HB3 TYR 16 HB3 TYR 16 -4.286 17.306 -20.595 125 HD1 TYR 16 HD1 TYR 16 -7.825 18.095 -19.666 126 HD2 TYR 16 HD2 TYR 16 -4.149 19.497 -21.284 127 HE1 TYR 16 HE1 TYR 16 -8.855 20.288 -20.089 128 HE2 TYR 16 HE2 TYR 16 -5.167 21.695 -21.710 129 HH TYR 16 HH TYR 16 -8.561 22.234 -21.426 130 H LYS 17 H LYS 17 -4.395 15.803 -22.681 131 HA LYS 17 HA LYS 17 -5.401 17.375 -24.713 132 HB2 LYS 17 HB2 LYS 17 -3.847 14.790 -24.883 133 HB3 LYS 17 HB3 LYS 17 -4.149 15.839 -26.262 134 HG2 LYS 17 HG2 LYS 17 -3.073 17.417 -24.158 135 HG3 LYS 17 HG3 LYS 17 -2.063 15.983 -24.361 136 HD2 LYS 17 HD2 LYS 17 -2.886 17.881 -26.559 137 HD3 LYS 17 HD3 LYS 17 -1.306 17.841 -25.773 138 HE2 LYS 17 HE2 LYS 17 -1.328 15.336 -26.504 139 HE3 LYS 17 HE3 LYS 17 -2.542 15.881 -27.660 140 HZ1 LYS 17 HZ1 LYS 17 0.288 16.249 -27.701 141 HZ2 LYS 17 HZ2 LYS 17 -0.534 17.719 -27.863 142 HZ3 LYS 17 HZ3 LYS 17 -0.841 16.455 -28.944 143 H GLU 18 H GLU 18 -6.046 13.932 -24.103 144 HA GLU 18 HA GLU 18 -7.893 13.708 -26.280 145 HB2 GLU 18 HB2 GLU 18 -8.235 11.471 -25.568 146 HB3 GLU 18 HB3 GLU 18 -6.533 11.817 -25.294 147 HG2 GLU 18 HG2 GLU 18 -6.997 12.207 -22.925 148 HG3 GLU 18 HG3 GLU 18 -8.698 11.839 -23.204 149 H ALA 19 H ALA 19 -8.117 14.420 -22.866 150 HA ALA 19 HA ALA 19 -10.870 13.991 -22.504 151 HB1 ALA 19 HB1 ALA 19 -9.080 15.966 -21.094 152 HB2 ALA 19 HB2 ALA 19 -10.657 15.409 -20.533 153 HB3 ALA 19 HB3 ALA 19 -9.310 14.277 -20.644 154 H PHE 20 H PHE 20 -9.091 16.982 -23.269 155 HA PHE 20 HA PHE 20 -11.482 18.518 -23.600 156 HB2 PHE 20 HB2 PHE 20 -10.102 20.319 -23.799 157 HB3 PHE 20 HB3 PHE 20 -8.932 19.204 -23.100 158 HD1 PHE 20 HD1 PHE 20 -10.023 20.894 -26.159 159 HD2 PHE 20 HD2 PHE 20 -7.133 18.303 -24.412 160 HE1 PHE 20 HE1 PHE 20 -8.572 21.191 -28.124 161 HE2 PHE 20 HE2 PHE 20 -5.677 18.597 -26.373 162 HZ PHE 20 HZ PHE 20 -6.397 20.042 -28.234 163 H GLN 21 H GLN 21 -9.351 16.716 -25.711 164 HA GLN 21 HA GLN 21 -10.286 17.767 -28.166 165 HB2 GLN 21 HB2 GLN 21 -8.195 16.619 -28.158 166 HB3 GLN 21 HB3 GLN 21 -8.916 15.178 -27.453 167 HG2 GLN 21 HG2 GLN 21 -10.193 14.821 -29.513 168 HG3 GLN 21 HG3 GLN 21 -9.433 16.247 -30.219 169 HE21 GLN 21 HE21 GLN 21 -9.399 13.183 -30.650 170 HE22 GLN 21 HE22 GLN 21 -7.721 12.846 -30.881 171 H LEU 22 H LEU 22 -11.162 14.858 -26.327 172 HA LEU 22 HA LEU 22 -13.103 13.928 -28.157 173 HB2 LEU 22 HB2 LEU 22 -12.241 12.382 -26.599 174 HB3 LEU 22 HB3 LEU 22 -12.625 13.428 -25.234 175 HG LEU 22 HG LEU 22 -14.980 12.611 -26.750 176 HD11 LEU 22 HD11 LEU 22 -14.919 10.292 -25.746 177 HD12 LEU 22 HD12 LEU 22 -13.187 10.535 -25.521 178 HD13 LEU 22 HD13 LEU 22 -13.878 10.563 -27.143 179 HD21 LEU 22 HD21 LEU 22 -15.896 12.310 -24.591 180 HD22 LEU 22 HD22 LEU 22 -14.854 13.729 -24.488 181 HD23 LEU 22 HD23 LEU 22 -14.300 12.181 -23.851 182 H PHE 23 H PHE 23 -13.218 16.206 -25.505 183 HA PHE 23 HA PHE 23 -16.104 16.375 -25.537 184 HB2 PHE 23 HB2 PHE 23 -14.202 16.907 -23.628 185 HB3 PHE 23 HB3 PHE 23 -14.639 18.523 -24.174 186 HD1 PHE 23 HD1 PHE 23 -16.989 19.288 -24.000 187 HD2 PHE 23 HD2 PHE 23 -15.673 15.612 -22.305 188 HE1 PHE 23 HE1 PHE 23 -19.002 19.223 -22.586 189 HE2 PHE 23 HE2 PHE 23 -17.683 15.541 -20.889 190 HZ PHE 23 HZ PHE 23 -19.352 17.347 -21.029 191 H ASP 24 H ASP 24 -13.528 17.751 -27.257 192 HA ASP 24 HA ASP 24 -14.890 20.231 -27.886 193 HB2 ASP 24 HB2 ASP 24 -12.434 20.180 -27.676 194 HB3 ASP 24 HB3 ASP 24 -12.346 19.058 -29.030 195 H LYS 25 H LYS 25 -16.692 18.542 -28.597 196 HA LYS 25 HA LYS 25 -16.501 17.246 -31.069 197 HB2 LYS 25 HB2 LYS 25 -18.822 18.341 -29.501 198 HB3 LYS 25 HB3 LYS 25 -19.062 17.592 -31.074 199 HG2 LYS 25 HG2 LYS 25 -17.883 15.564 -30.167 200 HG3 LYS 25 HG3 LYS 25 -17.970 16.325 -28.577 201 HD2 LYS 25 HD2 LYS 25 -20.450 16.055 -30.220 202 HD3 LYS 25 HD3 LYS 25 -19.830 14.653 -29.347 203 HE2 LYS 25 HE2 LYS 25 -20.258 17.302 -27.998 204 HE3 LYS 25 HE3 LYS 25 -21.560 16.126 -28.167 205 HZ1 LYS 25 HZ1 LYS 25 -20.707 15.548 -26.144 206 HZ2 LYS 25 HZ2 LYS 25 -19.120 15.976 -26.546 207 HZ3 LYS 25 HZ3 LYS 25 -19.784 14.537 -27.139 208 H ASP 26 H ASP 26 -17.192 20.581 -30.250 209 HA ASP 26 HA ASP 26 -18.111 21.363 -32.826 210 HB2 ASP 26 HB2 ASP 26 -18.234 22.546 -30.436 211 HB3 ASP 26 HB3 ASP 26 -16.791 23.350 -31.044 212 H ASN 27 H ASN 27 -15.027 20.668 -31.560 213 HA ASN 27 HA ASN 27 -12.935 20.742 -32.447 214 HB2 ASN 27 HB2 ASN 27 -14.432 20.063 -34.525 215 HB3 ASN 27 HB3 ASN 27 -13.958 21.659 -35.099 216 HD21 ASN 27 HD21 ASN 27 -12.456 18.847 -33.536 217 HD22 ASN 27 HD22 ASN 27 -11.054 18.823 -34.545 218 H ASP 28 H ASP 28 -13.733 22.972 -31.067 219 HA ASP 28 HA ASP 28 -12.789 25.255 -32.653 220 HB2 ASP 28 HB2 ASP 28 -14.111 25.232 -29.931 221 HB3 ASP 28 HB3 ASP 28 -13.712 26.662 -30.879 222 H ASN 29 H ASN 29 -11.500 22.938 -30.774 223 HA ASN 29 HA ASN 29 -9.519 22.695 -29.684 224 HB2 ASN 29 HB2 ASN 29 -9.085 24.748 -31.566 225 HB3 ASN 29 HB3 ASN 29 -8.355 25.306 -30.063 226 HD21 ASN 29 HD21 ASN 29 -7.514 24.006 -32.794 227 HD22 ASN 29 HD22 ASN 29 -6.278 22.903 -32.301 228 H LYS 30 H LYS 30 -11.925 24.269 -28.566 229 HA LYS 30 HA LYS 30 -10.620 24.943 -26.053 230 HB2 LYS 30 HB2 LYS 30 -12.388 26.897 -27.536 231 HB3 LYS 30 HB3 LYS 30 -11.826 27.100 -25.882 232 HG2 LYS 30 HG2 LYS 30 -9.463 26.810 -27.003 233 HG3 LYS 30 HG3 LYS 30 -10.335 27.349 -28.440 234 HD2 LYS 30 HD2 LYS 30 -10.788 28.895 -25.958 235 HD3 LYS 30 HD3 LYS 30 -9.190 29.035 -26.695 236 HE2 LYS 30 HE2 LYS 30 -11.056 29.216 -28.792 237 HE3 LYS 30 HE3 LYS 30 -11.670 30.235 -27.491 238 HZ1 LYS 30 HZ1 LYS 30 -9.834 31.594 -27.571 239 HZ2 LYS 30 HZ2 LYS 30 -10.020 31.206 -29.207 240 HZ3 LYS 30 HZ3 LYS 30 -8.842 30.423 -28.281 241 H LEU 31 H LEU 31 -12.057 24.982 -24.253 242 HA LEU 31 HA LEU 31 -14.611 23.616 -24.787 243 HB2 LEU 31 HB2 LEU 31 -12.505 23.239 -22.772 244 HB3 LEU 31 HB3 LEU 31 -14.153 23.175 -22.151 245 HG LEU 31 HG LEU 31 -14.554 21.447 -24.028 246 HD11 LEU 31 HD11 LEU 31 -12.361 20.134 -24.378 247 HD12 LEU 31 HD12 LEU 31 -11.569 21.661 -23.988 248 HD13 LEU 31 HD13 LEU 31 -12.664 21.563 -25.367 249 HD21 LEU 31 HD21 LEU 31 -12.805 20.057 -22.219 250 HD22 LEU 31 HD22 LEU 31 -14.566 20.031 -22.318 251 HD23 LEU 31 HD23 LEU 31 -13.756 21.264 -21.351 252 H THR 32 H THR 32 -16.443 24.588 -24.205 253 HA THR 32 HA THR 32 -16.387 27.235 -23.125 254 HB THR 32 HB THR 32 -18.725 27.304 -23.461 255 HG1 THR 32 HG1 THR 32 -19.772 25.149 -23.998 256 HG21 THR 32 HG21 THR 32 -18.682 27.119 -25.696 257 HG22 THR 32 HG22 THR 32 -18.356 25.387 -25.633 258 HG23 THR 32 HG23 THR 32 -17.029 26.540 -25.488 259 H ALA 33 H ALA 33 -18.078 27.757 -21.337 260 HA ALA 33 HA ALA 33 -17.143 26.869 -18.904 261 HB1 ALA 33 HB1 ALA 33 -18.635 28.873 -19.419 262 HB2 ALA 33 HB2 ALA 33 -19.989 27.752 -19.273 263 HB3 ALA 33 HB3 ALA 33 -18.918 28.024 -17.899 264 H GLU 34 H GLU 34 -19.763 25.557 -20.863 265 HA GLU 34 HA GLU 34 -20.685 23.712 -18.897 266 HB2 GLU 34 HB2 GLU 34 -21.148 24.117 -21.820 267 HB3 GLU 34 HB3 GLU 34 -21.636 22.593 -21.090 268 HG2 GLU 34 HG2 GLU 34 -22.485 25.025 -19.668 269 HG3 GLU 34 HG3 GLU 34 -23.215 24.758 -21.248 270 H GLU 35 H GLU 35 -18.363 23.556 -21.538 271 HA GLU 35 HA GLU 35 -17.943 20.734 -21.338 272 HB2 GLU 35 HB2 GLU 35 -16.069 22.761 -22.556 273 HB3 GLU 35 HB3 GLU 35 -16.177 21.045 -22.922 274 HG2 GLU 35 HG2 GLU 35 -18.428 21.409 -23.847 275 HG3 GLU 35 HG3 GLU 35 -18.251 23.136 -23.539 276 H LEU 36 H LEU 36 -16.465 23.589 -19.940 277 HA LEU 36 HA LEU 36 -14.180 22.260 -18.878 278 HB2 LEU 36 HB2 LEU 36 -14.629 24.792 -19.306 279 HB3 LEU 36 HB3 LEU 36 -15.319 24.751 -17.685 280 HG LEU 36 HG LEU 36 -13.023 25.551 -17.641 281 HD11 LEU 36 HD11 LEU 36 -12.323 24.313 -15.817 282 HD12 LEU 36 HD12 LEU 36 -12.920 22.794 -16.486 283 HD13 LEU 36 HD13 LEU 36 -14.056 23.988 -15.856 284 HD21 LEU 36 HD21 LEU 36 -11.191 24.369 -18.451 285 HD22 LEU 36 HD22 LEU 36 -12.408 24.137 -19.706 286 HD23 LEU 36 HD23 LEU 36 -12.085 22.852 -18.543 287 H GLY 37 H GLY 37 -17.367 23.107 -17.605 288 HA2 GLY 37 HA2 GLY 37 -16.893 22.366 -14.926 289 HA3 GLY 37 HA3 GLY 37 -18.469 22.457 -15.699 290 H THR 38 H THR 38 -17.830 20.492 -17.743 291 HA THR 38 HA THR 38 -18.529 18.143 -16.267 292 HB THR 38 HB THR 38 -17.862 18.474 -19.198 293 HG1 THR 38 HG1 THR 38 -19.797 19.547 -18.256 294 HG21 THR 38 HG21 THR 38 -18.670 16.127 -17.563 295 HG22 THR 38 HG22 THR 38 -17.623 16.210 -18.979 296 HG23 THR 38 HG23 THR 38 -19.375 16.294 -19.171 297 H VAL 39 H VAL 39 -15.670 19.184 -18.090 298 HA VAL 39 HA VAL 39 -14.215 16.770 -17.625 299 HB VAL 39 HB VAL 39 -13.712 18.198 -19.548 300 HG11 VAL 39 HG11 VAL 39 -14.142 20.354 -18.346 301 HG12 VAL 39 HG12 VAL 39 -12.557 20.176 -17.590 302 HG13 VAL 39 HG13 VAL 39 -12.687 20.342 -19.342 303 HG21 VAL 39 HG21 VAL 39 -11.746 17.164 -19.437 304 HG22 VAL 39 HG22 VAL 39 -11.124 18.548 -18.539 305 HG23 VAL 39 HG23 VAL 39 -11.790 17.165 -17.674 306 H MET 40 H MET 40 -14.406 19.911 -16.048 307 HA MET 40 HA MET 40 -12.192 19.544 -14.315 308 HB2 MET 40 HB2 MET 40 -13.102 21.759 -14.781 309 HB3 MET 40 HB3 MET 40 -14.626 21.314 -14.026 310 HG2 MET 40 HG2 MET 40 -13.669 21.255 -11.881 311 HG3 MET 40 HG3 MET 40 -12.030 21.271 -12.527 312 HE1 MET 40 HE1 MET 40 -10.916 23.611 -13.665 313 HE2 MET 40 HE2 MET 40 -11.043 24.781 -12.351 314 HE3 MET 40 HE3 MET 40 -10.715 23.086 -11.993 315 H ARG 41 H ARG 41 -15.594 18.710 -14.116 316 HA ARG 41 HA ARG 41 -15.821 18.171 -11.399 317 HB2 ARG 41 HB2 ARG 41 -17.195 17.166 -13.850 318 HB3 ARG 41 HB3 ARG 41 -17.483 16.329 -12.330 319 HG2 ARG 41 HG2 ARG 41 -18.519 18.158 -11.366 320 HG3 ARG 41 HG3 ARG 41 -17.773 19.298 -12.489 321 HD2 ARG 41 HD2 ARG 41 -19.872 19.233 -13.373 322 HD3 ARG 41 HD3 ARG 41 -19.151 17.888 -14.256 323 HE ARG 41 HE ARG 41 -20.581 16.475 -13.175 324 HH11 ARG 41 HH11 ARG 41 -20.412 19.469 -11.406 325 HH12 ARG 41 HH12 ARG 41 -21.666 19.032 -10.292 326 HH21 ARG 41 HH21 ARG 41 -22.232 15.889 -11.716 327 HH22 ARG 41 HH22 ARG 41 -22.699 16.995 -10.469 328 H ALA 42 H ALA 42 -14.424 16.249 -13.980 329 HA ALA 42 HA ALA 42 -14.167 13.847 -12.467 330 HB1 ALA 42 HB1 ALA 42 -12.213 14.110 -14.584 331 HB2 ALA 42 HB2 ALA 42 -13.555 12.976 -14.422 332 HB3 ALA 42 HB3 ALA 42 -13.828 14.570 -15.125 333 H LEU 43 H LEU 43 -12.345 16.767 -12.679 334 HA LEU 43 HA LEU 43 -9.842 15.738 -11.802 335 HB2 LEU 43 HB2 LEU 43 -10.910 18.241 -12.594 336 HB3 LEU 43 HB3 LEU 43 -10.168 18.455 -11.010 337 HG LEU 43 HG LEU 43 -8.673 18.979 -12.930 338 HD11 LEU 43 HD11 LEU 43 -7.725 16.646 -11.279 339 HD12 LEU 43 HD12 LEU 43 -7.850 18.299 -10.681 340 HD13 LEU 43 HD13 LEU 43 -6.742 17.921 -12.000 341 HD21 LEU 43 HD21 LEU 43 -8.197 17.523 -14.568 342 HD22 LEU 43 HD22 LEU 43 -9.690 16.728 -14.066 343 HD23 LEU 43 HD23 LEU 43 -8.136 16.146 -13.465 344 H GLY 44 H GLY 44 -12.769 16.682 -10.198 345 HA2 GLY 44 HA2 GLY 44 -11.955 15.532 -7.738 346 HA3 GLY 44 HA3 GLY 44 -11.849 17.284 -7.643 347 H ALA 45 H ALA 45 -14.100 17.772 -9.395 348 HA ALA 45 HA ALA 45 -16.348 18.108 -9.273 349 HB1 ALA 45 HB1 ALA 45 -17.366 16.149 -9.474 350 HB2 ALA 45 HB2 ALA 45 -15.947 15.341 -8.809 351 HB3 ALA 45 HB3 ALA 45 -17.232 15.890 -7.734 352 H ASN 46 H ASN 46 -14.505 18.925 -7.053 353 HA ASN 46 HA ASN 46 -15.921 18.725 -4.600 354 HB2 ASN 46 HB2 ASN 46 -13.500 20.036 -5.581 355 HB3 ASN 46 HB3 ASN 46 -14.357 21.000 -4.383 356 HD21 ASN 46 HD21 ASN 46 -11.786 19.571 -4.258 357 HD22 ASN 46 HD22 ASN 46 -11.909 18.518 -2.893 358 HA PRO 47 HA PRO 47 -17.370 23.239 -5.515 359 HB2 PRO 47 HB2 PRO 47 -16.879 24.235 -7.992 360 HB3 PRO 47 HB3 PRO 47 -15.743 24.399 -6.647 361 HG2 PRO 47 HG2 PRO 47 -15.731 22.437 -8.908 362 HG3 PRO 47 HG3 PRO 47 -14.379 23.342 -8.205 363 HD2 PRO 47 HD2 PRO 47 -14.868 20.749 -7.599 364 HD3 PRO 47 HD3 PRO 47 -14.161 21.884 -6.432 365 H THR 48 H THR 48 -18.864 24.328 -7.393 366 HA THR 48 HA THR 48 -20.542 22.137 -8.430 367 HB THR 48 HB THR 48 -21.785 24.780 -7.875 368 HG1 THR 48 HG1 THR 48 -21.532 24.654 -5.777 369 HG21 THR 48 HG21 THR 48 -22.736 22.388 -8.712 370 HG22 THR 48 HG22 THR 48 -23.709 23.592 -7.868 371 HG23 THR 48 HG23 THR 48 -22.997 22.249 -6.974 372 H LYS 49 H LYS 49 -21.721 22.558 -10.377 373 HA LYS 49 HA LYS 49 -20.250 23.641 -12.447 374 HB2 LYS 49 HB2 LYS 49 -23.136 22.942 -12.111 375 HB3 LYS 49 HB3 LYS 49 -22.642 23.812 -13.558 376 HG2 LYS 49 HG2 LYS 49 -21.067 21.417 -12.824 377 HG3 LYS 49 HG3 LYS 49 -22.707 21.158 -13.421 378 HD2 LYS 49 HD2 LYS 49 -21.022 23.061 -14.938 379 HD3 LYS 49 HD3 LYS 49 -20.578 21.355 -15.035 380 HE2 LYS 49 HE2 LYS 49 -23.259 21.207 -15.384 381 HE3 LYS 49 HE3 LYS 49 -22.919 22.773 -16.117 382 HZ1 LYS 49 HZ1 LYS 49 -21.625 20.196 -16.830 383 HZ2 LYS 49 HZ2 LYS 49 -21.245 21.698 -17.512 384 HZ3 LYS 49 HZ3 LYS 49 -22.777 21.023 -17.754 385 H GLN 50 H GLN 50 -22.697 25.180 -10.430 386 HA GLN 50 HA GLN 50 -22.838 27.593 -11.921 387 HB2 GLN 50 HB2 GLN 50 -23.553 27.001 -9.045 388 HB3 GLN 50 HB3 GLN 50 -23.931 28.505 -9.874 389 HG2 GLN 50 HG2 GLN 50 -25.883 27.512 -10.308 390 HG3 GLN 50 HG3 GLN 50 -24.986 26.700 -11.590 391 HE21 GLN 50 HE21 GLN 50 -25.850 24.732 -11.661 392 HE22 GLN 50 HE22 GLN 50 -25.983 23.651 -10.321 393 H LYS 51 H LYS 51 -20.837 26.472 -9.267 394 HA LYS 51 HA LYS 51 -19.682 29.031 -8.708 395 HB2 LYS 51 HB2 LYS 51 -18.602 26.297 -8.005 396 HB3 LYS 51 HB3 LYS 51 -18.167 27.827 -7.253 397 HG2 LYS 51 HG2 LYS 51 -20.955 26.707 -7.193 398 HG3 LYS 51 HG3 LYS 51 -19.748 26.367 -5.952 399 HD2 LYS 51 HD2 LYS 51 -19.556 29.034 -6.012 400 HD3 LYS 51 HD3 LYS 51 -21.235 28.864 -6.534 401 HE2 LYS 51 HE2 LYS 51 -21.193 27.142 -4.456 402 HE3 LYS 51 HE3 LYS 51 -19.989 28.311 -3.918 403 HZ1 LYS 51 HZ1 LYS 51 -22.284 29.616 -4.967 404 HZ2 LYS 51 HZ2 LYS 51 -21.575 29.764 -3.438 405 HZ3 LYS 51 HZ3 LYS 51 -22.720 28.553 -3.726 406 H ILE 52 H ILE 52 -18.761 26.226 -10.641 407 HA ILE 52 HA ILE 52 -16.167 27.188 -11.313 408 HB ILE 52 HB ILE 52 -17.880 25.152 -12.744 409 HG12 ILE 52 HG12 ILE 52 -15.647 24.750 -10.744 410 HG13 ILE 52 HG13 ILE 52 -17.361 24.608 -10.371 411 HG21 ILE 52 HG21 ILE 52 -16.131 26.050 -14.181 412 HG22 ILE 52 HG22 ILE 52 -14.923 25.705 -12.945 413 HG23 ILE 52 HG23 ILE 52 -15.778 24.381 -13.734 414 HD11 ILE 52 HD11 ILE 52 -15.650 22.599 -11.239 415 HD12 ILE 52 HD12 ILE 52 -17.406 22.519 -11.093 416 HD13 ILE 52 HD13 ILE 52 -16.667 22.970 -12.630 417 H SER 53 H SER 53 -19.339 27.375 -12.850 418 HA SER 53 HA SER 53 -18.450 28.515 -15.284 419 HB2 SER 53 HB2 SER 53 -20.825 29.126 -15.615 420 HB3 SER 53 HB3 SER 53 -20.642 27.450 -15.100 421 HG SER 53 HG SER 53 -22.213 28.249 -13.817 422 H GLU 54 H GLU 54 -19.308 29.855 -12.167 423 HA GLU 54 HA GLU 54 -19.450 32.570 -13.041 424 HB2 GLU 54 HB2 GLU 54 -19.598 31.121 -10.486 425 HB3 GLU 54 HB3 GLU 54 -18.908 32.733 -10.367 426 HG2 GLU 54 HG2 GLU 54 -20.857 33.759 -11.104 427 HG3 GLU 54 HG3 GLU 54 -21.486 32.272 -11.812 428 H ILE 55 H ILE 55 -16.921 30.489 -11.782 429 HA ILE 55 HA ILE 55 -15.016 32.588 -11.398 430 HB ILE 55 HB ILE 55 -14.590 29.607 -11.634 431 HG12 ILE 55 HG12 ILE 55 -14.432 31.159 -9.080 432 HG13 ILE 55 HG13 ILE 55 -16.013 30.709 -9.709 433 HG21 ILE 55 HG21 ILE 55 -12.741 31.846 -11.395 434 HG22 ILE 55 HG22 ILE 55 -12.532 30.634 -10.132 435 HG23 ILE 55 HG23 ILE 55 -12.435 30.164 -11.828 436 HD11 ILE 55 HD11 ILE 55 -15.738 28.808 -8.597 437 HD12 ILE 55 HD12 ILE 55 -14.593 28.363 -9.862 438 HD13 ILE 55 HD13 ILE 55 -14.014 29.096 -8.365 439 H VAL 56 H VAL 56 -15.790 30.346 -13.991 440 HA VAL 56 HA VAL 56 -13.497 30.936 -15.581 441 HB VAL 56 HB VAL 56 -16.154 29.751 -16.398 442 HG11 VAL 56 HG11 VAL 56 -13.586 30.184 -17.859 443 HG12 VAL 56 HG12 VAL 56 -14.589 28.785 -18.245 444 HG13 VAL 56 HG13 VAL 56 -15.244 30.414 -18.412 445 HG21 VAL 56 HG21 VAL 56 -13.897 27.950 -16.331 446 HG22 VAL 56 HG22 VAL 56 -14.173 28.693 -14.755 447 HG23 VAL 56 HG23 VAL 56 -15.472 27.807 -15.553 448 H LYS 57 H LYS 57 -16.812 32.145 -15.469 449 HA LYS 57 HA LYS 57 -16.549 33.807 -17.778 450 HB2 LYS 57 HB2 LYS 57 -18.718 34.616 -17.258 451 HB3 LYS 57 HB3 LYS 57 -18.716 32.912 -16.821 452 HG2 LYS 57 HG2 LYS 57 -18.415 33.496 -14.480 453 HG3 LYS 57 HG3 LYS 57 -18.367 35.209 -14.903 454 HD2 LYS 57 HD2 LYS 57 -20.570 34.605 -14.078 455 HD3 LYS 57 HD3 LYS 57 -20.655 35.035 -15.788 456 HE2 LYS 57 HE2 LYS 57 -20.653 32.666 -16.386 457 HE3 LYS 57 HE3 LYS 57 -20.545 32.231 -14.680 458 HZ1 LYS 57 HZ1 LYS 57 -22.840 32.434 -16.031 459 HZ2 LYS 57 HZ2 LYS 57 -22.742 33.987 -15.367 460 HZ3 LYS 57 HZ3 LYS 57 -22.714 32.632 -14.356 461 H ASP 58 H ASP 58 -15.815 34.148 -14.412 462 HA ASP 58 HA ASP 58 -15.569 37.040 -14.576 463 HB2 ASP 58 HB2 ASP 58 -15.339 35.015 -12.380 464 HB3 ASP 58 HB3 ASP 58 -14.627 36.613 -12.163 465 H TYR 59 H TYR 59 -13.538 34.189 -14.534 466 HA TYR 59 HA TYR 59 -11.093 35.714 -14.304 467 HB2 TYR 59 HB2 TYR 59 -11.332 33.435 -13.328 468 HB3 TYR 59 HB3 TYR 59 -11.456 32.784 -14.958 469 HD1 TYR 59 HD1 TYR 59 -9.195 34.533 -12.606 470 HD2 TYR 59 HD2 TYR 59 -9.520 32.376 -16.260 471 HE1 TYR 59 HE1 TYR 59 -6.745 34.359 -12.714 472 HE2 TYR 59 HE2 TYR 59 -7.070 32.196 -16.378 473 HH TYR 59 HH TYR 59 -5.038 33.011 -13.735 474 H ASP 60 H ASP 60 -13.011 34.222 -16.817 475 HA ASP 60 HA ASP 60 -10.989 34.939 -18.823 476 HB2 ASP 60 HB2 ASP 60 -12.205 32.598 -18.617 477 HB3 ASP 60 HB3 ASP 60 -13.469 33.426 -19.521 478 H LYS 61 H LYS 61 -11.874 37.202 -18.083 479 HA LYS 61 HA LYS 61 -14.229 37.922 -19.683 480 HB2 LYS 61 HB2 LYS 61 -14.333 39.954 -18.370 481 HB3 LYS 61 HB3 LYS 61 -14.237 38.566 -17.293 482 HG2 LYS 61 HG2 LYS 61 -11.670 39.082 -17.362 483 HG3 LYS 61 HG3 LYS 61 -12.223 40.687 -17.842 484 HD2 LYS 61 HD2 LYS 61 -13.177 41.117 -15.814 485 HD3 LYS 61 HD3 LYS 61 -13.542 39.417 -15.504 486 HE2 LYS 61 HE2 LYS 61 -11.123 39.018 -15.136 487 HE3 LYS 61 HE3 LYS 61 -10.841 40.747 -15.325 488 HZ1 LYS 61 HZ1 LYS 61 -11.385 39.483 -12.989 489 HZ2 LYS 61 HZ2 LYS 61 -12.886 40.143 -13.406 490 HZ3 LYS 61 HZ3 LYS 61 -11.533 41.147 -13.260 491 H ASP 62 H ASP 62 -10.817 38.200 -19.555 492 HA ASP 62 HA ASP 62 -10.720 40.498 -21.334 493 HB2 ASP 62 HB2 ASP 62 -8.415 40.556 -20.952 494 HB3 ASP 62 HB3 ASP 62 -9.056 39.969 -19.420 495 H ASN 63 H ASN 63 -11.599 37.501 -21.875 496 HA ASN 63 HA ASN 63 -10.443 37.470 -24.564 497 HB2 ASN 63 HB2 ASN 63 -9.989 35.472 -22.464 498 HB3 ASN 63 HB3 ASN 63 -10.570 34.784 -23.978 499 HD21 ASN 63 HD21 ASN 63 -7.922 34.806 -22.526 500 HD22 ASN 63 HD22 ASN 63 -6.782 35.276 -23.737 501 H SER 64 H SER 64 -12.448 35.170 -22.741 502 HA SER 64 HA SER 64 -14.932 35.944 -23.759 503 HB2 SER 64 HB2 SER 64 -13.439 34.883 -25.795 504 HB3 SER 64 HB3 SER 64 -14.308 33.462 -25.214 505 HG SER 64 HG SER 64 -15.439 35.929 -26.047 506 H GLY 65 H GLY 65 -16.304 33.599 -23.988 507 HA2 GLY 65 HA2 GLY 65 -16.026 32.528 -21.277 508 HA3 GLY 65 HA3 GLY 65 -17.439 32.377 -22.312 509 H LYS 66 H LYS 66 -14.137 31.666 -23.292 510 HA LYS 66 HA LYS 66 -14.876 28.817 -23.458 511 HB2 LYS 66 HB2 LYS 66 -13.678 30.644 -25.442 512 HB3 LYS 66 HB3 LYS 66 -12.918 29.062 -25.327 513 HG2 LYS 66 HG2 LYS 66 -14.496 28.299 -26.679 514 HG3 LYS 66 HG3 LYS 66 -15.652 28.538 -25.366 515 HD2 LYS 66 HD2 LYS 66 -16.701 29.956 -26.739 516 HD3 LYS 66 HD3 LYS 66 -15.363 31.067 -26.436 517 HE2 LYS 66 HE2 LYS 66 -14.176 30.160 -28.374 518 HE3 LYS 66 HE3 LYS 66 -15.510 29.047 -28.673 519 HZ1 LYS 66 HZ1 LYS 66 -16.045 31.934 -28.543 520 HZ2 LYS 66 HZ2 LYS 66 -16.872 30.727 -29.392 521 HZ3 LYS 66 HZ3 LYS 66 -15.375 31.281 -29.953 522 H PHE 67 H PHE 67 -12.937 27.350 -23.523 523 HA PHE 67 HA PHE 67 -10.824 28.373 -21.742 524 HB2 PHE 67 HB2 PHE 67 -12.640 26.518 -21.004 525 HB3 PHE 67 HB3 PHE 67 -11.415 25.470 -21.709 526 HD1 PHE 67 HD1 PHE 67 -9.092 25.521 -20.803 527 HD2 PHE 67 HD2 PHE 67 -12.331 27.518 -18.896 528 HE1 PHE 67 HE1 PHE 67 -7.786 25.644 -18.721 529 HE2 PHE 67 HE2 PHE 67 -11.030 27.645 -16.812 530 HZ PHE 67 HZ PHE 67 -8.755 26.707 -16.722 531 H ASP 68 H ASP 68 -8.748 27.972 -22.285 532 HA ASP 68 HA ASP 68 -8.293 26.446 -24.762 533 HB2 ASP 68 HB2 ASP 68 -7.657 28.681 -25.176 534 HB3 ASP 68 HB3 ASP 68 -6.891 28.843 -23.598 535 H GLN 69 H GLN 69 -6.790 24.845 -24.813 536 HA GLN 69 HA GLN 69 -6.166 23.385 -22.585 537 HB2 GLN 69 HB2 GLN 69 -4.380 23.568 -25.013 538 HB3 GLN 69 HB3 GLN 69 -4.544 22.206 -23.913 539 HG2 GLN 69 HG2 GLN 69 -6.174 21.365 -25.140 540 HG3 GLN 69 HG3 GLN 69 -7.111 22.850 -24.969 541 HE21 GLN 69 HE21 GLN 69 -4.385 21.507 -26.792 542 HE22 GLN 69 HE22 GLN 69 -4.767 22.296 -28.280 543 H GLU 70 H GLU 70 -4.159 25.874 -24.128 544 HA GLU 70 HA GLU 70 -1.889 25.659 -22.559 545 HB2 GLU 70 HB2 GLU 70 -2.709 27.331 -24.558 546 HB3 GLU 70 HB3 GLU 70 -2.681 28.424 -23.181 547 HG2 GLU 70 HG2 GLU 70 -0.387 28.064 -22.808 548 HG3 GLU 70 HG3 GLU 70 -0.354 26.662 -23.878 549 H THR 71 H THR 71 -4.890 27.405 -21.916 550 HA THR 71 HA THR 71 -4.045 28.713 -19.567 551 HB THR 71 HB THR 71 -6.835 27.872 -20.378 552 HG1 THR 71 HG1 THR 71 -5.795 29.340 -21.827 553 HG21 THR 71 HG21 THR 71 -5.805 29.610 -18.160 554 HG22 THR 71 HG22 THR 71 -7.017 28.330 -18.096 555 HG23 THR 71 HG23 THR 71 -7.404 29.876 -18.853 556 H PHE 72 H PHE 72 -5.627 25.590 -20.102 557 HA PHE 72 HA PHE 72 -5.937 24.967 -17.348 558 HB2 PHE 72 HB2 PHE 72 -7.048 23.932 -19.513 559 HB3 PHE 72 HB3 PHE 72 -5.693 22.814 -19.406 560 HD1 PHE 72 HD1 PHE 72 -5.309 21.852 -16.949 561 HD2 PHE 72 HD2 PHE 72 -8.997 23.337 -18.471 562 HE1 PHE 72 HE1 PHE 72 -6.530 20.531 -15.271 563 HE2 PHE 72 HE2 PHE 72 -10.223 22.020 -16.794 564 HZ PHE 72 HZ PHE 72 -8.990 20.615 -15.191 565 H LEU 73 H LEU 73 -3.418 24.366 -19.725 566 HA LEU 73 HA LEU 73 -1.911 22.568 -18.110 567 HB2 LEU 73 HB2 LEU 73 -1.591 23.945 -20.683 568 HB3 LEU 73 HB3 LEU 73 -0.085 23.627 -19.826 569 HG LEU 73 HG LEU 73 -1.619 21.238 -19.797 570 HD11 LEU 73 HD11 LEU 73 -1.837 20.800 -22.186 571 HD12 LEU 73 HD12 LEU 73 -1.340 22.454 -22.543 572 HD13 LEU 73 HD13 LEU 73 -2.856 22.153 -21.693 573 HD21 LEU 73 HD21 LEU 73 0.318 20.300 -20.703 574 HD22 LEU 73 HD22 LEU 73 0.906 21.691 -19.790 575 HD23 LEU 73 HD23 LEU 73 0.758 21.787 -21.545 576 H THR 74 H THR 74 -2.027 26.040 -18.474 577 HA THR 74 HA THR 74 0.421 26.547 -17.071 578 HB THR 74 HB THR 74 -1.879 28.406 -17.702 579 HG1 THR 74 HG1 THR 74 -0.049 29.117 -19.225 580 HG21 THR 74 HG21 THR 74 -0.812 29.596 -16.064 581 HG22 THR 74 HG22 THR 74 0.177 30.062 -17.446 582 HG23 THR 74 HG23 THR 74 0.738 28.805 -16.344 583 H ILE 75 H ILE 75 -3.018 26.580 -16.234 584 HA ILE 75 HA ILE 75 -2.623 27.493 -13.564 585 HB ILE 75 HB ILE 75 -4.775 27.770 -14.695 586 HG12 ILE 75 HG12 ILE 75 -4.920 25.980 -12.260 587 HG13 ILE 75 HG13 ILE 75 -4.727 27.731 -12.247 588 HG21 ILE 75 HG21 ILE 75 -4.678 25.612 -15.936 589 HG22 ILE 75 HG22 ILE 75 -5.112 24.789 -14.438 590 HG23 ILE 75 HG23 ILE 75 -6.236 25.934 -15.171 591 HD11 ILE 75 HD11 ILE 75 -7.018 27.020 -11.743 592 HD12 ILE 75 HD12 ILE 75 -6.926 28.013 -13.198 593 HD13 ILE 75 HD13 ILE 75 -7.119 26.264 -13.333 594 H MET 76 H MET 76 -2.899 24.322 -15.074 595 HA MET 76 HA MET 76 -2.976 22.877 -12.609 596 HB2 MET 76 HB2 MET 76 -2.885 20.911 -13.927 597 HB3 MET 76 HB3 MET 76 -3.837 22.064 -14.852 598 HG2 MET 76 HG2 MET 76 -2.510 21.412 -16.535 599 HG3 MET 76 HG3 MET 76 -1.392 22.582 -15.838 600 HE1 MET 76 HE1 MET 76 1.007 19.882 -16.984 601 HE2 MET 76 HE2 MET 76 -0.583 19.425 -17.596 602 HE3 MET 76 HE3 MET 76 -0.104 21.122 -17.569 603 H LEU 77 H LEU 77 -0.466 24.051 -14.723 604 HA LEU 77 HA LEU 77 1.617 22.447 -13.562 605 HB2 LEU 77 HB2 LEU 77 1.487 24.672 -15.541 606 HB3 LEU 77 HB3 LEU 77 3.036 24.276 -14.799 607 HG LEU 77 HG LEU 77 1.362 22.239 -16.252 608 HD11 LEU 77 HD11 LEU 77 2.214 22.819 -18.258 609 HD12 LEU 77 HD12 LEU 77 3.737 23.387 -17.573 610 HD13 LEU 77 HD13 LEU 77 2.305 24.415 -17.513 611 HD21 LEU 77 HD21 LEU 77 4.329 22.261 -15.785 612 HD22 LEU 77 HD22 LEU 77 3.292 20.907 -16.235 613 HD23 LEU 77 HD23 LEU 77 3.201 21.586 -14.609 614 H GLU 78 H GLU 78 0.433 25.751 -13.202 615 HA GLU 78 HA GLU 78 2.507 26.553 -11.403 616 HB2 GLU 78 HB2 GLU 78 1.407 28.258 -12.673 617 HB3 GLU 78 HB3 GLU 78 -0.173 27.753 -12.095 618 HG2 GLU 78 HG2 GLU 78 0.115 28.723 -10.032 619 HG3 GLU 78 HG3 GLU 78 1.874 28.671 -10.136 620 H TYR 79 H TYR 79 -0.597 25.021 -11.083 621 HA TYR 79 HA TYR 79 -0.859 25.514 -8.265 622 HB2 TYR 79 HB2 TYR 79 -2.775 25.099 -9.871 623 HB3 TYR 79 HB3 TYR 79 -2.295 23.406 -9.881 624 HD1 TYR 79 HD1 TYR 79 -3.717 26.116 -7.846 625 HD2 TYR 79 HD2 TYR 79 -2.730 21.980 -7.989 626 HE1 TYR 79 HE1 TYR 79 -5.067 25.730 -5.826 627 HE2 TYR 79 HE2 TYR 79 -4.078 21.581 -5.971 628 HH TYR 79 HH TYR 79 -4.907 23.670 -3.872 629 H GLY 80 H GLY 80 0.657 23.124 -10.260 630 HA2 GLY 80 HA2 GLY 80 0.952 21.258 -8.028 631 HA3 GLY 80 HA3 GLY 80 1.424 20.965 -9.695 632 H GLN 81 H GLN 81 2.290 23.865 -7.931 633 HA GLN 81 HA GLN 81 5.092 22.955 -7.951 634 HB2 GLN 81 HB2 GLN 81 4.040 25.779 -8.199 635 HB3 GLN 81 HB3 GLN 81 5.736 25.315 -8.191 636 HG2 GLN 81 HG2 GLN 81 4.363 23.821 -10.199 637 HG3 GLN 81 HG3 GLN 81 4.001 25.536 -10.391 638 HE21 GLN 81 HE21 GLN 81 6.270 23.073 -10.868 639 HE22 GLN 81 HE22 GLN 81 7.574 24.050 -11.441 640 H GLU 82 H GLU 82 2.981 22.719 -5.843 641 HA GLU 82 HA GLU 82 3.309 24.513 -3.761 642 HB2 GLU 82 HB2 GLU 82 2.362 21.759 -4.052 643 HB3 GLU 82 HB3 GLU 82 3.041 22.095 -2.465 644 HG2 GLU 82 HG2 GLU 82 1.519 23.981 -2.204 645 HG3 GLU 82 HG3 GLU 82 0.843 23.659 -3.800 646 H VAL 83 H VAL 83 5.440 22.005 -4.881 647 HA VAL 83 HA VAL 83 7.066 21.809 -2.564 648 HB VAL 83 HB VAL 83 8.696 20.699 -3.987 649 HG11 VAL 83 HG11 VAL 83 6.906 19.313 -3.268 650 HG12 VAL 83 HG12 VAL 83 5.827 19.951 -4.510 651 HG13 VAL 83 HG13 VAL 83 7.196 18.936 -4.966 652 HG21 VAL 83 HG21 VAL 83 8.719 22.029 -5.945 653 HG22 VAL 83 HG22 VAL 83 8.142 20.438 -6.440 654 HG23 VAL 83 HG23 VAL 83 6.999 21.765 -6.232 655 H ASP 84 H ASP 84 9.573 22.260 -2.982 656 HA ASP 84 HA ASP 84 9.744 25.145 -3.484 657 HB2 ASP 84 HB2 ASP 84 11.652 25.184 -2.067 658 HB3 ASP 84 HB3 ASP 84 10.468 24.159 -1.261 659 H SER 85 H SER 85 12.117 25.766 -4.187 660 HA SER 85 HA SER 85 13.632 25.851 -5.882 661 HB2 SER 85 HB2 SER 85 13.399 22.921 -6.411 662 HB3 SER 85 HB3 SER 85 14.839 23.936 -6.319 663 HG SER 85 HG SER 85 14.695 23.917 -4.101
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